Changeset 2034f3 for tests/regression
- Timestamp:
- Apr 5, 2012, 3:55:48 PM (13 years ago)
- Branches:
- Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Added_ParseSaveFragmentResults, AddingActions_SaveParseParticleParameters, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_ParticleName_to_Atom, Adding_StructOpt_integration_tests, AtomFragments, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, CombiningParticlePotentialParsing, Combining_Subpackages, Debian_Package_split, Debian_package_split_molecuildergui_only, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph, EmpiricalPotential_contain_HomologyGraph_documentation, Enable_parallel_make_install, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_BoundInBox_CenterInBox_MoleculeActions, Fix_ChargeSampling_PBC, Fix_ChronosMutex, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ForceAnnealing, Fix_IndependentFragmentGrids, Fix_ParseParticles, Fix_ParseParticles_split_forward_backward_Actions, Fix_PopActions, Fix_QtFragmentList_sorted_selection, Fix_Restrictedkeyset_FragmentMolecule, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, Fix_fitting_potentials, Fixes, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, FragmentAction_writes_AtomFragments, FragmentMolecule_checks_bonddegrees, GeometryObjects, Gui_Fixes, Gui_displays_atomic_force_velocity, ImplicitCharges, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, MoreRobust_FragmentAutomation, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PdbParser_setsAtomName, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, Rewrite_FitPartialCharges, RotateToPrincipalAxisSystem_UndoRedo, SaturateAtoms_findBestMatching, SaturateAtoms_singleDegree, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, Switchable_LogView, ThirdParty_MPQC_rebuilt_buildsystem, TrajectoryDependenant_MaxOrder, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, TremoloParser_setsAtomName, Ubuntu_1604_changes, stable
- Children:
- 259887
- Parents:
- 3d0892
- git-author:
- Frederik Heber <heber@…> (03/27/12 12:37:05)
- git-committer:
- Frederik Heber <heber@…> (04/05/12 15:55:48)
- Location:
- tests/regression
- Files:
-
- 1 added
- 1 deleted
- 9 edited
-
Filling/FillVoidWithMolecule/post/tensid.data (modified) (1 diff)
-
Filling/FillVoidWithMolecule/pre/tensid.data (modified) (1 diff)
-
Filling/FillVoidWithMolecule/pre/tensid.potentials (added)
-
Molecules/Copy/post/tensid-undo.data (deleted)
-
Molecules/Copy/post/tensid.data (modified) (1 diff)
-
Molecules/Copy/pre/tensid.data (modified) (1 diff)
-
Molecules/Copy/pre/tensid.potentials (modified) (3 diffs)
-
Molecules/Copy/testsuite-molecules-copy-molecule.at (modified) (1 diff)
-
Molecules/CreateMicelle/post/tensid.data (modified) (1 diff)
-
Molecules/CreateMicelle/pre/tensid.data (modified) (1 diff)
-
Molecules/CreateMicelle/pre/tensid.potentials (modified) (3 diffs)
Legend:
- Unmodified
- Added
- Removed
-
tests/regression/Filling/FillVoidWithMolecule/post/tensid.data
r3d0892 r2034f3 1 1 # ATOMDATA Id name resName chainID x=3 type neighbors=4 charge 2 2 # Box 30 0 0 0 30 0 0 0 30 3 1 NA SLES 1 17.397 20.231 11.737 Na 0 0 0 0 1 .000000e+004 2 S SLES 1 16.282 18.88 14.208 S 3 4 5 6 1.33 0000e+005 3 OS1 SLES 1 15.788 18.072 13.08 O 2 7 0 0 - 2.800000e-016 4 OS2 SLES 1 15.674 20.071 13.658 O 2 0 0 0 - 6.500000e-017 5 OS3 SLES 1 17.652 18.652 13.81 O 2 0 0 0 - 6.500000e-018 6 OS4 SLES 1 15.761 18.284 15.406 O 2 0 0 0 - 6.500000e-019 7 C2 SLES 1 15.018 16.938 13.128 C 3 8 9 10 - 1.100000e-0110 8 H2A SLES 1 14.033 17.147 13.623 H 7 0 0 0 9.000000e-0211 9 H2B SLES 1 15.55 16.115 13.675 H 7 0 0 0 9.000000e-0212 10 C1 SLES 1 14.84 16.605 11.631 C 7 11 12 13 - 1.000000e-0213 11 H1B SLES 1 14.337 17.448 11.09 H 10 0 0 0 9.000000e-0214 12 H1A SLES 1 15.828 16.408 11.147 H 10 0 0 0 9.000000e-0215 13 O1 SLES 1 14.087 15.49 11.279 O 10 14 0 0 - 3.400000e-0116 14 C2 SLES 1 13.503 14.727 12.319 C 13 15 16 17 - 1.000000e-0217 15 H2A SLES 1 12.804 15.366 12.931 H 14 0 0 0 9.000000e-0218 16 H2B SLES 1 14.281 14.306 12.998 H 14 0 0 0 9.000000e-0219 17 C1 SLES 1 12.786 13.897 11.193 C 14 18 19 20 - 1.000000e-0220 18 H1B SLES 1 11.806 14.197 11.587 H 17 0 0 0 9.000000e-0221 19 H1A SLES 1 13.461 13.076 11.632 H 17 0 0 0 9.000000e-0222 20 O1 SLES 1 12.309 12.793 10.468 O 17 21 0 0 - 3.400000e-0123 21 C1 SLES 1 11.479 11.857 11.141 C 20 22 23 24 - 1.800000e-0124 22 H11 SLES 1 10.639 12.291 11.752 H 21 0 0 0 9.000000e-0225 23 H12 SLES 1 12.089 11.219 11.829 H 21 0 0 0 9.000000e-0226 24 C2 SLES 1 10.959 11.079 9.933 C 21 25 26 27 - 1.800000e-0127 25 H21 SLES 1 10.299 11.683 9.265 H 24 0 0 0 9.000000e-0228 26 H22 SLES 1 11.775 10.623 9.321 H 24 0 0 0 9.000000e-0229 27 C3 SLES 1 10.166 10 10.552 C 24 28 29 30 - 1.800000e-0130 28 H31 SLES 1 9.374 10.53 11.148 H 27 0 0 0 9.000000e-0231 29 H32 SLES 1 10.893 9.446 11.208 H 27 0 0 0 9.000000e-0232 30 C4 SLES 1 9.47 8.973 9.719 C 27 31 32 33 - 1.800000e-0133 31 H41 SLES 1 8.721 9.443 9.035 H 30 0 0 0 9.000000e-0234 32 H42 SLES 1 10.193 8.397 9.095 H 30 0 0 0 9.000000e-0235 33 C5 SLES 1 8.845 8.159 10.86 C 30 34 35 36 - 1.800000e-0136 34 H51 SLES 1 8.187 8.811 11.494 H 33 0 0 0 9.000000e-0237 35 H52 SLES 1 9.641 7.777 11.552 H 33 0 0 0 9.000000e-0238 36 C6 SLES 1 8.033 6.996 10.484 C 33 37 38 39 - 1.800000e-0139 37 H61 SLES 1 7.025 7.151 10.956 H 36 0 0 0 9.000000e-0240 38 H62 SLES 1 8.483 6.114 11.014 H 36 0 0 0 9.000000e-0241 39 C7 SLES 1 7.888 6.707 8.985 C 36 40 41 42 - 1.800000e-0142 40 H71 SLES 1 7.373 7.516 8.415 H 39 0 0 0 9.000000e-0243 41 H72 SLES 1 8.849 6.466 8.474 H 39 0 0 0 9.000000e-0244 42 C8 SLES 1 7.025 5.5 9.062 C 39 43 44 45 - 1.800000e-0145 43 H81 SLES 1 6.09 5.813 9.606 H 42 0 0 0 9.000000e-0246 44 H82 SLES 1 7.598 4.741 9.667 H 42 0 0 0 9.000000e-0247 45 C9 SLES 1 6.583 4.808 7.82 C 42 46 47 48 - 1.800000e-0148 46 H91 SLES 1 5.987 5.501 7.185 H 45 0 0 0 9.000000e-0249 47 H92 SLES 1 7.466 4.449 7.245 H 45 0 0 0 9.000000e-0250 48 C10 SLES 1 5.753 3.675 8.42 C 45 49 50 51 - 1.800000e-0151 49 H10 SLES 1 4.924 4.1 9.048 H 48 0 0 0 9.000000e-0252 50 H10 SLES 1 6.392 3.056 9.107 H 48 0 0 0 9.000000e-0253 51 C11 SLES 1 5.134 2.748 7.425 C 48 52 53 54 - 1.800000e-0154 52 H11 SLES 1 4.484 3.362 6.759 H 51 0 0 0 9.000000e-0255 53 H11 SLES 1 5.961 2.312 6.818 H 51 0 0 0 9.000000e-0256 54 C12 SLES 1 4.337 1.67 8.165 C 51 55 56 57 - 2.700000e-0157 55 H12 SLES 1 3.268 1.727 7.882 H 54 0 0 0 9.000000e-0258 56 H12 SLES 1 4.755 0.669 7.942 H 54 0 0 0 9.000000e-0259 57 H12 SLES 1 4.381 1.794 9.275 H 54 0 0 0 9.000000e-023 1 NA SLES 1 17.397 20.231 11.737 Na 0 0 0 0 1 4 2 S SLES 1 16.282 18.88 14.208 S 3 4 5 6 1.33 5 3 OS1 SLES 1 15.788 18.072 13.08 O 2 7 0 0 -0.28 6 4 OS2 SLES 1 15.674 20.071 13.658 O 2 0 0 0 -0.65 7 5 OS3 SLES 1 17.652 18.652 13.81 O 2 0 0 0 -0.65 8 6 OS4 SLES 1 15.761 18.284 15.406 O 2 0 0 0 -0.65 9 7 C2 SLES 1 15.018 16.938 13.128 C 3 8 9 10 -0.11 10 8 H2A SLES 1 14.033 17.147 13.623 H 7 0 0 0 0.09 11 9 H2B SLES 1 15.55 16.115 13.675 H 7 0 0 0 0.09 12 10 C1 SLES 1 14.84 16.605 11.631 C 7 11 12 13 -0.01 13 11 H1B SLES 1 14.337 17.448 11.09 H 10 0 0 0 0.09 14 12 H1A SLES 1 15.828 16.408 11.147 H 10 0 0 0 0.09 15 13 O1 SLES 1 14.087 15.49 11.279 O 10 14 0 0 -0.34 16 14 C2 SLES 1 13.503 14.727 12.319 C 13 15 16 17 -0.01 17 15 H2A SLES 1 12.804 15.366 12.931 H 14 0 0 0 0.09 18 16 H2B SLES 1 14.281 14.306 12.998 H 14 0 0 0 0.09 19 17 C1 SLES 1 12.786 13.897 11.193 C 14 18 19 20 -0.01 20 18 H1B SLES 1 11.806 14.197 11.587 H 17 0 0 0 0.09 21 19 H1A SLES 1 13.461 13.076 11.632 H 17 0 0 0 0.09 22 20 O1 SLES 1 12.309 12.793 10.468 O 17 21 0 0 -0.34 23 21 C1 SLES 1 11.479 11.857 11.141 C 20 22 23 24 -0.18 24 22 H11 SLES 1 10.639 12.291 11.752 H 21 0 0 0 0.09 25 23 H12 SLES 1 12.089 11.219 11.829 H 21 0 0 0 0.09 26 24 C2 SLES 1 10.959 11.079 9.933 C 21 25 26 27 -0.18 27 25 H21 SLES 1 10.299 11.683 9.265 H 24 0 0 0 0.09 28 26 H22 SLES 1 11.775 10.623 9.321 H 24 0 0 0 0.09 29 27 C3 SLES 1 10.166 10 10.552 C 24 28 29 30 -0.18 30 28 H31 SLES 1 9.374 10.53 11.148 H 27 0 0 0 0.09 31 29 H32 SLES 1 10.893 9.446 11.208 H 27 0 0 0 0.09 32 30 C4 SLES 1 9.47 8.973 9.719 C 27 31 32 33 -0.18 33 31 H41 SLES 1 8.721 9.443 9.035 H 30 0 0 0 0.09 34 32 H42 SLES 1 10.193 8.397 9.095 H 30 0 0 0 0.09 35 33 C5 SLES 1 8.845 8.159 10.86 C 30 34 35 36 -0.18 36 34 H51 SLES 1 8.187 8.811 11.494 H 33 0 0 0 0.09 37 35 H52 SLES 1 9.641 7.777 11.552 H 33 0 0 0 0.09 38 36 C6 SLES 1 8.033 6.996 10.484 C 33 37 38 39 -0.18 39 37 H61 SLES 1 7.025 7.151 10.956 H 36 0 0 0 0.09 40 38 H62 SLES 1 8.483 6.114 11.014 H 36 0 0 0 0.09 41 39 C7 SLES 1 7.888 6.707 8.985 C 36 40 41 42 -0.18 42 40 H71 SLES 1 7.373 7.516 8.415 H 39 0 0 0 0.09 43 41 H72 SLES 1 8.849 6.466 8.474 H 39 0 0 0 0.09 44 42 C8 SLES 1 7.025 5.5 9.062 C 39 43 44 45 -0.18 45 43 H81 SLES 1 6.09 5.813 9.606 H 42 0 0 0 0.09 46 44 H82 SLES 1 7.598 4.741 9.667 H 42 0 0 0 0.09 47 45 C9 SLES 1 6.583 4.808 7.82 C 42 46 47 48 -0.18 48 46 H91 SLES 1 5.987 5.501 7.185 H 45 0 0 0 0.09 49 47 H92 SLES 1 7.466 4.449 7.245 H 45 0 0 0 0.09 50 48 C10 SLES 1 5.753 3.675 8.42 C 45 49 50 51 -0.18 51 49 H10 SLES 1 4.924 4.1 9.048 H 48 0 0 0 0.09 52 50 H10 SLES 1 6.392 3.056 9.107 H 48 0 0 0 0.09 53 51 C11 SLES 1 5.134 2.748 7.425 C 48 52 53 54 -0.18 54 52 H11 SLES 1 4.484 3.362 6.759 H 51 0 0 0 0.09 55 53 H11 SLES 1 5.961 2.312 6.818 H 51 0 0 0 0.09 56 54 C12 SLES 1 4.337 1.67 8.165 C 51 55 56 57 -0.27 57 55 H12 SLES 1 3.268 1.727 7.882 H 54 0 0 0 0.09 58 56 H12 SLES 1 4.755 0.669 7.942 H 54 0 0 0 0.09 59 57 H12 SLES 1 4.381 1.794 9.275 H 54 0 0 0 0.09 60 60 58 - - 0 2.91511 0 3 O 59 60 0 0 0 61 61 59 - - 0 3.67371 0 3.50428 H 58 0 0 0 0 -
tests/regression/Filling/FillVoidWithMolecule/pre/tensid.data
r3d0892 r2034f3 1 1 # ATOMDATA Id name resName chainID x=3 type neighbors=4 charge 2 2 # Box 30 0 0 0 30 0 0 0 30 3 1 NA SLES 1 17.397 20.231 11.737 Na 0 0 0 0 1 .000000e+004 2 S SLES 1 16.282 18.88 14.208 S 3 4 5 6 1.33 0000e+005 3 OS1 SLES 1 15.788 18.072 13.08 O 2 7 0 0 - 2.800000e-016 4 OS2 SLES 1 15.674 20.071 13.658 O 2 0 0 0 - 6.500000e-017 5 OS3 SLES 1 17.652 18.652 13.81 O 2 0 0 0 - 6.500000e-018 6 OS4 SLES 1 15.761 18.284 15.406 O 2 0 0 0 - 6.500000e-019 7 C2 SLES 1 15.018 16.938 13.128 C 3 8 9 10 - 1.100000e-0110 8 H2A SLES 1 14.033 17.147 13.623 H 7 0 0 0 9.000000e-0211 9 H2B SLES 1 15.55 16.115 13.675 H 7 0 0 0 9.000000e-0212 10 C1 SLES 1 14.84 16.605 11.631 C 7 11 12 13 - 1.000000e-0213 11 H1B SLES 1 14.337 17.448 11.09 H 10 0 0 0 9.000000e-0214 12 H1A SLES 1 15.828 16.408 11.147 H 10 0 0 0 9.000000e-0215 13 O1 SLES 1 14.087 15.49 11.279 O 10 14 0 0 - 3.400000e-0116 14 C2 SLES 1 13.503 14.727 12.319 C 13 15 16 17 - 1.000000e-0217 15 H2A SLES 1 12.804 15.366 12.931 H 14 0 0 0 9.000000e-0218 16 H2B SLES 1 14.281 14.306 12.998 H 14 0 0 0 9.000000e-0219 17 C1 SLES 1 12.786 13.897 11.193 C 14 18 19 20 - 1.000000e-0220 18 H1B SLES 1 11.806 14.197 11.587 H 17 0 0 0 9.000000e-0221 19 H1A SLES 1 13.461 13.076 11.632 H 17 0 0 0 9.000000e-0222 20 O1 SLES 1 12.309 12.793 10.468 O 17 21 0 0 - 3.400000e-0123 21 C1 SLES 1 11.479 11.857 11.141 C 20 22 23 24 - 1.800000e-0124 22 H11 SLES 1 10.639 12.291 11.752 H 21 0 0 0 9.000000e-0225 23 H12 SLES 1 12.089 11.219 11.829 H 21 0 0 0 9.000000e-0226 24 C2 SLES 1 10.959 11.079 9.933 C 21 25 26 27 - 1.800000e-0127 25 H21 SLES 1 10.299 11.683 9.265 H 24 0 0 0 9.000000e-0228 26 H22 SLES 1 11.775 10.623 9.321 H 24 0 0 0 9.000000e-0229 27 C3 SLES 1 10.166 10 10.552 C 24 28 29 30 - 1.800000e-0130 28 H31 SLES 1 9.374 10.53 11.148 H 27 0 0 0 9.000000e-0231 29 H32 SLES 1 10.893 9.446 11.208 H 27 0 0 0 9.000000e-0232 30 C4 SLES 1 9.47 8.973 9.719 C 27 31 32 33 - 1.800000e-0133 31 H41 SLES 1 8.721 9.443 9.035 H 30 0 0 0 9.000000e-0234 32 H42 SLES 1 10.193 8.397 9.095 H 30 0 0 0 9.000000e-0235 33 C5 SLES 1 8.845 8.159 10.86 C 30 34 35 36 - 1.800000e-0136 34 H51 SLES 1 8.187 8.811 11.494 H 33 0 0 0 9.000000e-0237 35 H52 SLES 1 9.641 7.777 11.552 H 33 0 0 0 9.000000e-0238 36 C6 SLES 1 8.033 6.996 10.484 C 33 37 38 39 - 1.800000e-0139 37 H61 SLES 1 7.025 7.151 10.956 H 36 0 0 0 9.000000e-0240 38 H62 SLES 1 8.483 6.114 11.014 H 36 0 0 0 9.000000e-0241 39 C7 SLES 1 7.888 6.707 8.985 C 36 40 41 42 - 1.800000e-0142 40 H71 SLES 1 7.373 7.516 8.415 H 39 0 0 0 9.000000e-0243 41 H72 SLES 1 8.849 6.466 8.474 H 39 0 0 0 9.000000e-0244 42 C8 SLES 1 7.025 5.5 9.062 C 39 43 44 45 - 1.800000e-0145 43 H81 SLES 1 6.09 5.813 9.606 H 42 0 0 0 9.000000e-0246 44 H82 SLES 1 7.598 4.741 9.667 H 42 0 0 0 9.000000e-0247 45 C9 SLES 1 6.583 4.808 7.82 C 42 46 47 48 - 1.800000e-0148 46 H91 SLES 1 5.987 5.501 7.185 H 45 0 0 0 9.000000e-0249 47 H92 SLES 1 7.466 4.449 7.245 H 45 0 0 0 9.000000e-0250 48 C10 SLES 1 5.753 3.675 8.42 C 45 49 50 51 - 1.800000e-0151 49 H10 SLES 1 4.924 4.1 9.048 H 48 0 0 0 9.000000e-0252 50 H10 SLES 1 6.392 3.056 9.107 H 48 0 0 0 9.000000e-0253 51 C11 SLES 1 5.134 2.748 7.425 C 48 52 53 54 - 1.800000e-0154 52 H11 SLES 1 4.484 3.362 6.759 H 51 0 0 0 9.000000e-0255 53 H11 SLES 1 5.961 2.312 6.818 H 51 0 0 0 9.000000e-0256 54 C12 SLES 1 4.337 1.67 8.165 C 51 55 56 57 - 2.700000e-0157 55 H12 SLES 1 3.268 1.727 7.882 H 54 0 0 0 9.000000e-0258 56 H12 SLES 1 4.755 0.669 7.942 H 54 0 0 0 9.000000e-0259 57 H12 SLES 1 4.381 1.794 9.275 H 54 0 0 0 9.000000e-023 1 NA SLES 1 17.397 20.231 11.737 Na 0 0 0 0 1 4 2 S SLES 1 16.282 18.88 14.208 S 3 4 5 6 1.33 5 3 OS1 SLES 1 15.788 18.072 13.08 O 2 7 0 0 -0.28 6 4 OS2 SLES 1 15.674 20.071 13.658 O 2 0 0 0 -0.65 7 5 OS3 SLES 1 17.652 18.652 13.81 O 2 0 0 0 -0.65 8 6 OS4 SLES 1 15.761 18.284 15.406 O 2 0 0 0 -0.65 9 7 C2 SLES 1 15.018 16.938 13.128 C 3 8 9 10 -0.11 10 8 H2A SLES 1 14.033 17.147 13.623 H 7 0 0 0 0.09 11 9 H2B SLES 1 15.55 16.115 13.675 H 7 0 0 0 0.09 12 10 C1 SLES 1 14.84 16.605 11.631 C 7 11 12 13 -0.01 13 11 H1B SLES 1 14.337 17.448 11.09 H 10 0 0 0 0.09 14 12 H1A SLES 1 15.828 16.408 11.147 H 10 0 0 0 0.09 15 13 O1 SLES 1 14.087 15.49 11.279 O 10 14 0 0 -0.34 16 14 C2 SLES 1 13.503 14.727 12.319 C 13 15 16 17 -0.01 17 15 H2A SLES 1 12.804 15.366 12.931 H 14 0 0 0 0.09 18 16 H2B SLES 1 14.281 14.306 12.998 H 14 0 0 0 0.09 19 17 C1 SLES 1 12.786 13.897 11.193 C 14 18 19 20 -0.01 20 18 H1B SLES 1 11.806 14.197 11.587 H 17 0 0 0 0.09 21 19 H1A SLES 1 13.461 13.076 11.632 H 17 0 0 0 0.09 22 20 O1 SLES 1 12.309 12.793 10.468 O 17 21 0 0 -0.34 23 21 C1 SLES 1 11.479 11.857 11.141 C 20 22 23 24 -0.18 24 22 H11 SLES 1 10.639 12.291 11.752 H 21 0 0 0 0.09 25 23 H12 SLES 1 12.089 11.219 11.829 H 21 0 0 0 0.09 26 24 C2 SLES 1 10.959 11.079 9.933 C 21 25 26 27 -0.18 27 25 H21 SLES 1 10.299 11.683 9.265 H 24 0 0 0 0.09 28 26 H22 SLES 1 11.775 10.623 9.321 H 24 0 0 0 0.09 29 27 C3 SLES 1 10.166 10 10.552 C 24 28 29 30 -0.18 30 28 H31 SLES 1 9.374 10.53 11.148 H 27 0 0 0 0.09 31 29 H32 SLES 1 10.893 9.446 11.208 H 27 0 0 0 0.09 32 30 C4 SLES 1 9.47 8.973 9.719 C 27 31 32 33 -0.18 33 31 H41 SLES 1 8.721 9.443 9.035 H 30 0 0 0 0.09 34 32 H42 SLES 1 10.193 8.397 9.095 H 30 0 0 0 0.09 35 33 C5 SLES 1 8.845 8.159 10.86 C 30 34 35 36 -0.18 36 34 H51 SLES 1 8.187 8.811 11.494 H 33 0 0 0 0.09 37 35 H52 SLES 1 9.641 7.777 11.552 H 33 0 0 0 0.09 38 36 C6 SLES 1 8.033 6.996 10.484 C 33 37 38 39 -0.18 39 37 H61 SLES 1 7.025 7.151 10.956 H 36 0 0 0 0.09 40 38 H62 SLES 1 8.483 6.114 11.014 H 36 0 0 0 0.09 41 39 C7 SLES 1 7.888 6.707 8.985 C 36 40 41 42 -0.18 42 40 H71 SLES 1 7.373 7.516 8.415 H 39 0 0 0 0.09 43 41 H72 SLES 1 8.849 6.466 8.474 H 39 0 0 0 0.09 44 42 C8 SLES 1 7.025 5.5 9.062 C 39 43 44 45 -0.18 45 43 H81 SLES 1 6.09 5.813 9.606 H 42 0 0 0 0.09 46 44 H82 SLES 1 7.598 4.741 9.667 H 42 0 0 0 0.09 47 45 C9 SLES 1 6.583 4.808 7.82 C 42 46 47 48 -0.18 48 46 H91 SLES 1 5.987 5.501 7.185 H 45 0 0 0 0.09 49 47 H92 SLES 1 7.466 4.449 7.245 H 45 0 0 0 0.09 50 48 C10 SLES 1 5.753 3.675 8.42 C 45 49 50 51 -0.18 51 49 H10 SLES 1 4.924 4.1 9.048 H 48 0 0 0 0.09 52 50 H10 SLES 1 6.392 3.056 9.107 H 48 0 0 0 0.09 53 51 C11 SLES 1 5.134 2.748 7.425 C 48 52 53 54 -0.18 54 52 H11 SLES 1 4.484 3.362 6.759 H 51 0 0 0 0.09 55 53 H11 SLES 1 5.961 2.312 6.818 H 51 0 0 0 0.09 56 54 C12 SLES 1 4.337 1.67 8.165 C 51 55 56 57 -0.27 57 55 H12 SLES 1 3.268 1.727 7.882 H 54 0 0 0 0.09 58 56 H12 SLES 1 4.755 0.669 7.942 H 54 0 0 0 0.09 59 57 H12 SLES 1 4.381 1.794 9.275 H 54 0 0 0 0.09 -
tests/regression/Molecules/Copy/post/tensid.data
r3d0892 r2034f3 1 1 # ATOMDATA Id name resName chainID x=3 type neighbors=4 charge 2 2 # Box 20 0 0 0 20 0 0 0 20 3 1 NA SLES 1 32.397 35.231 26.737 NA 0 0 0 0 1 .000000e+004 2 S SLES 1 31.282 33.88 29.208 SL 3 4 5 6 1.33 0000e+005 3 OS1 SLES 1 30.788 33.072 28.08 OSL 2 7 0 0 - 2.800000e-016 4 OS2 SLES 1 30.674 35.071 28.658 O2L 2 0 0 0 - 6.500000e-017 5 OS3 SLES 1 32.652 33.652 28.81 O2L 2 0 0 0 - 6.500000e-018 6 OS4 SLES 1 30.761 33.284 30.406 O2L 2 0 0 0 - 6.500000e-019 7 C2 SLES 1 30.018 31.938 28.128 CC32A 3 8 9 10 - 1.100000e-0110 8 H2A SLES 1 29.033 32.147 28.623 HCA2 7 0 0 0 9.000000e-0211 9 H2B SLES 1 30.55 31.115 28.675 HCA2 7 0 0 0 9.000000e-0212 10 C1 SLES 1 29.84 31.605 26.631 CC32A 7 11 12 13 - 1.000000e-0213 11 H1B SLES 1 29.337 32.448 26.09 HCA2 10 0 0 0 9.000000e-0214 12 H1A SLES 1 30.828 31.408 26.147 HCA2 10 0 0 0 9.000000e-0215 13 O1 SLES 1 29.087 30.49 26.279 OC30A 10 14 0 0 - 3.400000e-0116 14 C2 SLES 1 28.503 29.727 27.319 CC32A 13 15 16 17 - 1.000000e-0217 15 H2A SLES 1 27.804 30.366 27.931 HCA2 14 0 0 0 9.000000e-0218 16 H2B SLES 1 29.281 29.306 27.998 HCA2 14 0 0 0 9.000000e-0219 17 C1 SLES 1 27.786 28.897 26.193 CC32A 14 18 19 20 - 1.000000e-0220 18 H1B SLES 1 26.806 29.197 26.587 HCA2 17 0 0 0 9.000000e-0221 19 H1A SLES 1 28.461 28.076 26.632 HCA2 17 0 0 0 9.000000e-0222 20 O1 SLES 1 27.309 27.793 25.468 OC30A 17 21 0 0 - 3.400000e-0123 21 C1 SLES 1 26.479 26.857 26.141 CTL2 20 22 23 24 - 1.800000e-0124 22 H11 SLES 1 25.639 27.291 26.752 HAL2 21 0 0 0 9.000000e-0225 23 H12 SLES 1 27.089 26.219 26.829 HAL2 21 0 0 0 9.000000e-0226 24 C2 SLES 1 25.959 26.079 24.933 CTL2 21 25 26 27 - 1.800000e-0127 25 H21 SLES 1 25.299 26.683 24.265 HAL2 24 0 0 0 9.000000e-0228 26 H22 SLES 1 26.775 25.623 24.321 HAL2 24 0 0 0 9.000000e-0229 27 C3 SLES 1 25.166 25 25.552 CTL2 24 28 29 30 - 1.800000e-0130 28 H31 SLES 1 24.374 25.53 26.148 HAL2 27 0 0 0 9.000000e-0231 29 H32 SLES 1 25.893 24.446 26.208 HAL2 27 0 0 0 9.000000e-0232 30 C4 SLES 1 24.47 23.973 24.719 CTL2 27 31 32 33 - 1.800000e-0133 31 H41 SLES 1 23.721 24.443 24.035 HAL2 30 0 0 0 9.000000e-0234 32 H42 SLES 1 25.193 23.397 24.095 HAL2 30 0 0 0 9.000000e-0235 33 C5 SLES 1 23.845 23.159 25.86 CTL2 30 34 35 36 - 1.800000e-0136 34 H51 SLES 1 23.187 23.811 26.494 HAL2 33 0 0 0 9.000000e-0237 35 H52 SLES 1 24.641 22.777 26.552 HAL2 33 0 0 0 9.000000e-0238 36 C6 SLES 1 23.033 21.996 25.484 CTL2 33 37 38 39 - 1.800000e-0139 37 H61 SLES 1 22.025 22.151 25.956 HAL2 36 0 0 0 9.000000e-0240 38 H62 SLES 1 23.483 21.114 26.014 HAL2 36 0 0 0 9.000000e-0241 39 C7 SLES 1 22.888 21.707 23.985 CTL2 36 40 41 42 - 1.800000e-0142 40 H71 SLES 1 22.373 22.516 23.415 HAL2 39 0 0 0 9.000000e-0243 41 H72 SLES 1 23.849 21.466 23.474 HAL2 39 0 0 0 9.000000e-0244 42 C8 SLES 1 22.025 20.5 24.062 CTL2 39 43 44 45 - 1.800000e-0145 43 H81 SLES 1 21.09 20.813 24.606 HAL2 42 0 0 0 9.000000e-0246 44 H82 SLES 1 22.598 19.741 24.667 HAL2 42 0 0 0 9.000000e-0247 45 C9 SLES 1 21.583 19.808 22.82 CTL2 42 46 47 48 - 1.800000e-0148 46 H91 SLES 1 20.987 20.501 22.185 HAL2 45 0 0 0 9.000000e-0249 47 H92 SLES 1 22.466 19.449 22.245 HAL2 45 0 0 0 9.000000e-0250 48 C10 SLES 1 20.753 18.675 23.42 CTL2 45 49 50 51 - 1.800000e-0151 49 H10 SLES 1 19.924 19.1 24.048 HAL2 48 0 0 0 9.000000e-0252 50 H10 SLES 1 21.392 18.056 24.107 HAL2 48 0 0 0 9.000000e-0253 51 C11 SLES 1 20.134 17.748 22.425 CTL2 48 52 53 54 - 1.800000e-0154 52 H11 SLES 1 19.484 18.362 21.759 HAL2 51 0 0 0 9.000000e-0255 53 H11 SLES 1 20.961 17.312 21.818 HAL2 51 0 0 0 9.000000e-0256 54 C12 SLES 1 19.337 16.67 23.165 CTL3 51 55 56 57 - 2.700000e-0157 55 H12 SLES 1 18.268 16.727 22.882 HAL3 54 0 0 0 9.000000e-0258 56 H12 SLES 1 19.755 15.669 22.942 HAL3 54 0 0 0 9.000000e-0259 57 H12 SLES 1 19.381 16.794 24.275 HAL3 54 0 0 0 9.000000e-0260 58 NA SLES 1 7.15637 10.1281 11.2412 NA 0 0 0 0 1 .000000e+0061 59 S SLES 1 6.04137 8.77709 13.7122 SL 60 61 62 63 1.33 0000e+0062 60 OS1 SLES 1 5.54737 7.96909 12.5842 OSL 59 64 0 0 - 2.800000e-0163 61 OS2 SLES 1 5.43337 9.96809 13.1622 O2L 59 0 0 0 - 6.500000e-0164 62 OS3 SLES 1 7.41137 8.54909 13.3142 O2L 59 0 0 0 - 6.500000e-0165 63 OS4 SLES 1 5.52037 8.18109 14.9102 O2L 59 0 0 0 - 6.500000e-0166 64 C2 SLES 1 4.77737 6.83509 12.6322 CC32A 60 65 66 67 - 1.100000e-0167 65 H2A SLES 1 3.79237 7.04409 13.1272 HCA2 64 0 0 0 9.000000e-0268 66 H2B SLES 1 5.30937 6.01209 13.1792 HCA2 64 0 0 0 9.000000e-0269 67 C1 SLES 1 4.59937 6.50209 11.1352 CC32A 64 68 69 70 - 1.000000e-0270 68 H1B SLES 1 4.09637 7.34509 10.5942 HCA2 67 0 0 0 9.000000e-0271 69 H1A SLES 1 5.58737 6.30509 10.6512 HCA2 67 0 0 0 9.000000e-0272 70 O1 SLES 1 3.84637 5.38709 10.7832 OC30A 67 71 0 0 - 3.400000e-0173 71 C2 SLES 1 3.26237 4.62409 11.8232 CC32A 70 72 73 74 - 1.000000e-0274 72 H2A SLES 1 2.56337 5.26309 12.4352 HCA2 71 0 0 0 9.000000e-0275 73 H2B SLES 1 4.04037 4.20309 12.5022 HCA2 71 0 0 0 9.000000e-0276 74 C1 SLES 1 2.54537 3.79409 10.6972 CC32A 71 75 76 77 - 1.000000e-0277 75 H1B SLES 1 1.56537 4.09409 11.0912 HCA2 74 0 0 0 9.000000e-0278 76 H1A SLES 1 3.22037 2.97309 11.1362 HCA2 74 0 0 0 9.000000e-0279 77 O1 SLES 1 2.06837 2.69009 9.97225 OC30A 74 78 0 0 - 3.400000e-0180 78 C1 SLES 1 1.23837 1.75409 10.6452 CTL2 77 79 80 81 - 1.800000e-0181 79 H11 SLES 1 0.398368 2.18809 11.2562 HAL2 78 0 0 0 9.000000e-0282 80 H12 SLES 1 1.84837 1.11609 11.3332 HAL2 78 0 0 0 9.000000e-0283 81 C2 SLES 1 0.718368 0.976088 9.43725 CTL2 78 82 83 84 - 1.800000e-0184 82 H21 SLES 1 0.0583684 1.58009 8.76925 HAL2 81 0 0 0 9.000000e-0285 83 H22 SLES 1 1.53437 0.520088 8.82525 HAL2 81 0 0 0 9.000000e-0286 84 C3 SLES 1 -0.0746316 -0.102912 10.0562 CTL2 81 85 86 87 - 1.800000e-0187 85 H31 SLES 1 -0.866632 0.427088 10.6522 HAL2 84 0 0 0 9.000000e-0288 86 H32 SLES 1 0.652368 -0.656912 10.7122 HAL2 84 0 0 0 9.000000e-0289 87 C4 SLES 1 -0.770632 -1.12991 9.22325 CTL2 84 88 89 90 - 1.800000e-0190 88 H41 SLES 1 -1.51963 -0.659912 8.53925 HAL2 87 0 0 0 9.000000e-0291 89 H42 SLES 1 -0.0476316 -1.70591 8.59925 HAL2 87 0 0 0 9.000000e-0292 90 C5 SLES 1 -1.39563 -1.94391 10.3642 CTL2 87 91 92 93 - 1.800000e-0193 91 H51 SLES 1 -2.05363 -1.29191 10.9982 HAL2 90 0 0 0 9.000000e-0294 92 H52 SLES 1 -0.599632 -2.32591 11.0562 HAL2 90 0 0 0 9.000000e-0295 93 C6 SLES 1 -2.20763 -3.10691 9.98825 CTL2 90 94 95 96 - 1.800000e-0196 94 H61 SLES 1 -3.21563 -2.95191 10.4602 HAL2 93 0 0 0 9.000000e-0297 95 H62 SLES 1 -1.75763 -3.98891 10.5182 HAL2 93 0 0 0 9.000000e-0298 96 C7 SLES 1 -2.35263 -3.39591 8.48925 CTL2 93 97 98 99 - 1.800000e-0199 97 H71 SLES 1 -2.86763 -2.58691 7.91925 HAL2 96 0 0 0 9.000000e-02100 98 H72 SLES 1 -1.39163 -3.63691 7.97825 HAL2 96 0 0 0 9.000000e-02101 99 C8 SLES 1 -3.21563 -4.60291 8.56625 CTL2 96 100 101 102 - 1.800000e-01102 100 H81 SLES 1 -4.15063 -4.28991 9.11025 HAL2 99 0 0 0 9.000000e-02103 101 H82 SLES 1 -2.64263 -5.36191 9.17125 HAL2 99 0 0 0 9.000000e-02104 102 C9 SLES 1 -3.65763 -5.29491 7.32425 CTL2 99 103 104 105 - 1.800000e-01105 103 H91 SLES 1 -4.25363 -4.60191 6.68925 HAL2 102 0 0 0 9.000000e-02106 104 H92 SLES 1 -2.77463 -5.65391 6.74925 HAL2 102 0 0 0 9.000000e-02107 105 C10 SLES 1 -4.48763 -6.42791 7.92425 CTL2 102 106 107 108 - 1.800000e-01108 106 H10 SLES 1 -5.31663 -6.00291 8.55225 HAL2 105 0 0 0 9.000000e-02109 107 H10 SLES 1 -3.84863 -7.04691 8.61125 HAL2 105 0 0 0 9.000000e-02110 108 C11 SLES 1 -5.10663 -7.35491 6.92925 CTL2 105 109 110 111 - 1.800000e-01111 109 H11 SLES 1 -5.75663 -6.74091 6.26325 HAL2 108 0 0 0 9.000000e-02112 110 H11 SLES 1 -4.27963 -7.79091 6.32225 HAL2 108 0 0 0 9.000000e-02113 111 C12 SLES 1 -5.90363 -8.43291 7.66925 CTL3 108 112 113 114 - 2.700000e-01114 112 H12 SLES 1 -6.97263 -8.37591 7.38625 HAL3 111 0 0 0 9.000000e-02115 113 H12 SLES 1 -5.48563 -9.43391 7.44625 HAL3 111 0 0 0 9.000000e-02116 114 H12 SLES 1 -5.85963 -8.30891 8.77925 HAL3 111 0 0 0 9.000000e-023 1 NA SLES 1 32.397 35.231 26.737 NA 0 0 0 0 1 4 2 S SLES 1 31.282 33.88 29.208 SL 3 4 5 6 1.33 5 3 OS1 SLES 1 30.788 33.072 28.08 OSL 2 7 0 0 -0.28 6 4 OS2 SLES 1 30.674 35.071 28.658 O2L 2 0 0 0 -0.65 7 5 OS3 SLES 1 32.652 33.652 28.81 O2L 2 0 0 0 -0.65 8 6 OS4 SLES 1 30.761 33.284 30.406 O2L 2 0 0 0 -0.65 9 7 C2 SLES 1 30.018 31.938 28.128 CC32A 3 8 9 10 -0.11 10 8 H2A SLES 1 29.033 32.147 28.623 HCA2 7 0 0 0 0.09 11 9 H2B SLES 1 30.55 31.115 28.675 HCA2 7 0 0 0 0.09 12 10 C1 SLES 1 29.84 31.605 26.631 CC32A 7 11 12 13 -0.01 13 11 H1B SLES 1 29.337 32.448 26.09 HCA2 10 0 0 0 0.09 14 12 H1A SLES 1 30.828 31.408 26.147 HCA2 10 0 0 0 0.09 15 13 O1 SLES 1 29.087 30.49 26.279 OC30A 10 14 0 0 -0.34 16 14 C2 SLES 1 28.503 29.727 27.319 CC32A 13 15 16 17 -0.01 17 15 H2A SLES 1 27.804 30.366 27.931 HCA2 14 0 0 0 0.09 18 16 H2B SLES 1 29.281 29.306 27.998 HCA2 14 0 0 0 0.09 19 17 C1 SLES 1 27.786 28.897 26.193 CC32A 14 18 19 20 -0.01 20 18 H1B SLES 1 26.806 29.197 26.587 HCA2 17 0 0 0 0.09 21 19 H1A SLES 1 28.461 28.076 26.632 HCA2 17 0 0 0 0.09 22 20 O1 SLES 1 27.309 27.793 25.468 OC30A 17 21 0 0 -0.34 23 21 C1 SLES 1 26.479 26.857 26.141 CTL2 20 22 23 24 -0.18 24 22 H11 SLES 1 25.639 27.291 26.752 HAL2 21 0 0 0 0.09 25 23 H12 SLES 1 27.089 26.219 26.829 HAL2 21 0 0 0 0.09 26 24 C2 SLES 1 25.959 26.079 24.933 CTL2 21 25 26 27 -0.18 27 25 H21 SLES 1 25.299 26.683 24.265 HAL2 24 0 0 0 0.09 28 26 H22 SLES 1 26.775 25.623 24.321 HAL2 24 0 0 0 0.09 29 27 C3 SLES 1 25.166 25 25.552 CTL2 24 28 29 30 -0.18 30 28 H31 SLES 1 24.374 25.53 26.148 HAL2 27 0 0 0 0.09 31 29 H32 SLES 1 25.893 24.446 26.208 HAL2 27 0 0 0 0.09 32 30 C4 SLES 1 24.47 23.973 24.719 CTL2 27 31 32 33 -0.18 33 31 H41 SLES 1 23.721 24.443 24.035 HAL2 30 0 0 0 0.09 34 32 H42 SLES 1 25.193 23.397 24.095 HAL2 30 0 0 0 0.09 35 33 C5 SLES 1 23.845 23.159 25.86 CTL2 30 34 35 36 -0.18 36 34 H51 SLES 1 23.187 23.811 26.494 HAL2 33 0 0 0 0.09 37 35 H52 SLES 1 24.641 22.777 26.552 HAL2 33 0 0 0 0.09 38 36 C6 SLES 1 23.033 21.996 25.484 CTL2 33 37 38 39 -0.18 39 37 H61 SLES 1 22.025 22.151 25.956 HAL2 36 0 0 0 0.09 40 38 H62 SLES 1 23.483 21.114 26.014 HAL2 36 0 0 0 0.09 41 39 C7 SLES 1 22.888 21.707 23.985 CTL2 36 40 41 42 -0.18 42 40 H71 SLES 1 22.373 22.516 23.415 HAL2 39 0 0 0 0.09 43 41 H72 SLES 1 23.849 21.466 23.474 HAL2 39 0 0 0 0.09 44 42 C8 SLES 1 22.025 20.5 24.062 CTL2 39 43 44 45 -0.18 45 43 H81 SLES 1 21.09 20.813 24.606 HAL2 42 0 0 0 0.09 46 44 H82 SLES 1 22.598 19.741 24.667 HAL2 42 0 0 0 0.09 47 45 C9 SLES 1 21.583 19.808 22.82 CTL2 42 46 47 48 -0.18 48 46 H91 SLES 1 20.987 20.501 22.185 HAL2 45 0 0 0 0.09 49 47 H92 SLES 1 22.466 19.449 22.245 HAL2 45 0 0 0 0.09 50 48 C10 SLES 1 20.753 18.675 23.42 CTL2 45 49 50 51 -0.18 51 49 H10 SLES 1 19.924 19.1 24.048 HAL2 48 0 0 0 0.09 52 50 H10 SLES 1 21.392 18.056 24.107 HAL2 48 0 0 0 0.09 53 51 C11 SLES 1 20.134 17.748 22.425 CTL2 48 52 53 54 -0.18 54 52 H11 SLES 1 19.484 18.362 21.759 HAL2 51 0 0 0 0.09 55 53 H11 SLES 1 20.961 17.312 21.818 HAL2 51 0 0 0 0.09 56 54 C12 SLES 1 19.337 16.67 23.165 CTL3 51 55 56 57 -0.27 57 55 H12 SLES 1 18.268 16.727 22.882 HAL3 54 0 0 0 0.09 58 56 H12 SLES 1 19.755 15.669 22.942 HAL3 54 0 0 0 0.09 59 57 H12 SLES 1 19.381 16.794 24.275 HAL3 54 0 0 0 0.09 60 58 NA SLES 1 7.15637 10.1281 11.2412 NA 0 0 0 0 1 61 59 S SLES 1 6.04137 8.77709 13.7122 SL 60 61 62 63 1.33 62 60 OS1 SLES 1 5.54737 7.96909 12.5842 OSL 59 64 0 0 -0.28 63 61 OS2 SLES 1 5.43337 9.96809 13.1622 O2L 59 0 0 0 -0.65 64 62 OS3 SLES 1 7.41137 8.54909 13.3142 O2L 59 0 0 0 -0.65 65 63 OS4 SLES 1 5.52037 8.18109 14.9102 O2L 59 0 0 0 -0.65 66 64 C2 SLES 1 4.77737 6.83509 12.6322 CC32A 60 65 66 67 -0.11 67 65 H2A SLES 1 3.79237 7.04409 13.1272 HCA2 64 0 0 0 0.09 68 66 H2B SLES 1 5.30937 6.01209 13.1792 HCA2 64 0 0 0 0.09 69 67 C1 SLES 1 4.59937 6.50209 11.1352 CC32A 64 68 69 70 -0.01 70 68 H1B SLES 1 4.09637 7.34509 10.5942 HCA2 67 0 0 0 0.09 71 69 H1A SLES 1 5.58737 6.30509 10.6512 HCA2 67 0 0 0 0.09 72 70 O1 SLES 1 3.84637 5.38709 10.7832 OC30A 67 71 0 0 -0.34 73 71 C2 SLES 1 3.26237 4.62409 11.8232 CC32A 70 72 73 74 -0.01 74 72 H2A SLES 1 2.56337 5.26309 12.4352 HCA2 71 0 0 0 0.09 75 73 H2B SLES 1 4.04037 4.20309 12.5022 HCA2 71 0 0 0 0.09 76 74 C1 SLES 1 2.54537 3.79409 10.6972 CC32A 71 75 76 77 -0.01 77 75 H1B SLES 1 1.56537 4.09409 11.0912 HCA2 74 0 0 0 0.09 78 76 H1A SLES 1 3.22037 2.97309 11.1362 HCA2 74 0 0 0 0.09 79 77 O1 SLES 1 2.06837 2.69009 9.97225 OC30A 74 78 0 0 -0.34 80 78 C1 SLES 1 1.23837 1.75409 10.6452 CTL2 77 79 80 81 -0.18 81 79 H11 SLES 1 0.398368 2.18809 11.2562 HAL2 78 0 0 0 0.09 82 80 H12 SLES 1 1.84837 1.11609 11.3332 HAL2 78 0 0 0 0.09 83 81 C2 SLES 1 0.718368 0.976088 9.43725 CTL2 78 82 83 84 -0.18 84 82 H21 SLES 1 0.0583684 1.58009 8.76925 HAL2 81 0 0 0 0.09 85 83 H22 SLES 1 1.53437 0.520088 8.82525 HAL2 81 0 0 0 0.09 86 84 C3 SLES 1 -0.0746316 -0.102912 10.0562 CTL2 81 85 86 87 -0.18 87 85 H31 SLES 1 -0.866632 0.427088 10.6522 HAL2 84 0 0 0 0.09 88 86 H32 SLES 1 0.652368 -0.656912 10.7122 HAL2 84 0 0 0 0.09 89 87 C4 SLES 1 -0.770632 -1.12991 9.22325 CTL2 84 88 89 90 -0.18 90 88 H41 SLES 1 -1.51963 -0.659912 8.53925 HAL2 87 0 0 0 0.09 91 89 H42 SLES 1 -0.0476316 -1.70591 8.59925 HAL2 87 0 0 0 0.09 92 90 C5 SLES 1 -1.39563 -1.94391 10.3642 CTL2 87 91 92 93 -0.18 93 91 H51 SLES 1 -2.05363 -1.29191 10.9982 HAL2 90 0 0 0 0.09 94 92 H52 SLES 1 -0.599632 -2.32591 11.0562 HAL2 90 0 0 0 0.09 95 93 C6 SLES 1 -2.20763 -3.10691 9.98825 CTL2 90 94 95 96 -0.18 96 94 H61 SLES 1 -3.21563 -2.95191 10.4602 HAL2 93 0 0 0 0.09 97 95 H62 SLES 1 -1.75763 -3.98891 10.5182 HAL2 93 0 0 0 0.09 98 96 C7 SLES 1 -2.35263 -3.39591 8.48925 CTL2 93 97 98 99 -0.18 99 97 H71 SLES 1 -2.86763 -2.58691 7.91925 HAL2 96 0 0 0 0.09 100 98 H72 SLES 1 -1.39163 -3.63691 7.97825 HAL2 96 0 0 0 0.09 101 99 C8 SLES 1 -3.21563 -4.60291 8.56625 CTL2 96 100 101 102 -0.18 102 100 H81 SLES 1 -4.15063 -4.28991 9.11025 HAL2 99 0 0 0 0.09 103 101 H82 SLES 1 -2.64263 -5.36191 9.17125 HAL2 99 0 0 0 0.09 104 102 C9 SLES 1 -3.65763 -5.29491 7.32425 CTL2 99 103 104 105 -0.18 105 103 H91 SLES 1 -4.25363 -4.60191 6.68925 HAL2 102 0 0 0 0.09 106 104 H92 SLES 1 -2.77463 -5.65391 6.74925 HAL2 102 0 0 0 0.09 107 105 C10 SLES 1 -4.48763 -6.42791 7.92425 CTL2 102 106 107 108 -0.18 108 106 H10 SLES 1 -5.31663 -6.00291 8.55225 HAL2 105 0 0 0 0.09 109 107 H10 SLES 1 -3.84863 -7.04691 8.61125 HAL2 105 0 0 0 0.09 110 108 C11 SLES 1 -5.10663 -7.35491 6.92925 CTL2 105 109 110 111 -0.18 111 109 H11 SLES 1 -5.75663 -6.74091 6.26325 HAL2 108 0 0 0 0.09 112 110 H11 SLES 1 -4.27963 -7.79091 6.32225 HAL2 108 0 0 0 0.09 113 111 C12 SLES 1 -5.90363 -8.43291 7.66925 CTL3 108 112 113 114 -0.27 114 112 H12 SLES 1 -6.97263 -8.37591 7.38625 HAL3 111 0 0 0 0.09 115 113 H12 SLES 1 -5.48563 -9.43391 7.44625 HAL3 111 0 0 0 0.09 116 114 H12 SLES 1 -5.85963 -8.30891 8.77925 HAL3 111 0 0 0 0.09 -
tests/regression/Molecules/Copy/pre/tensid.data
r3d0892 r2034f3 1 1 # ATOMDATA Id name resName chainID x=3 type neighbors=4 charge 2 2 # Box 20 0 0 0 20 0 0 0 20 3 1 NA SLES 1 32.397 35.231 26.737 NA 0 0 0 0 1 .000000e+004 2 S SLES 1 31.282 33.88 29.208 SL 3 4 5 6 1.33 0000e+005 3 OS1 SLES 1 30.788 33.072 28.08 OSL 2 7 0 0 - 2.800000e-016 4 OS2 SLES 1 30.674 35.071 28.658 O2L 2 0 0 0 - 6.500000e-017 5 OS3 SLES 1 32.652 33.652 28.81 O2L 2 0 0 0 - 6.500000e-018 6 OS4 SLES 1 30.761 33.284 30.406 O2L 2 0 0 0 - 6.500000e-019 7 C2 SLES 1 30.018 31.938 28.128 CC32A 3 8 9 10 - 1.100000e-0110 8 H2A SLES 1 29.033 32.147 28.623 HCA2 7 0 0 0 9.000000e-0211 9 H2B SLES 1 30.55 31.115 28.675 HCA2 7 0 0 0 9.000000e-0212 10 C1 SLES 1 29.84 31.605 26.631 CC32A 7 11 12 13 - 1.000000e-0213 11 H1B SLES 1 29.337 32.448 26.09 HCA2 10 0 0 0 9.000000e-0214 12 H1A SLES 1 30.828 31.408 26.147 HCA2 10 0 0 0 9.000000e-0215 13 O1 SLES 1 29.087 30.49 26.279 OC30A 10 14 0 0 - 3.400000e-0116 14 C2 SLES 1 28.503 29.727 27.319 CC32A 13 15 16 17 - 1.000000e-0217 15 H2A SLES 1 27.804 30.366 27.931 HCA2 14 0 0 0 9.000000e-0218 16 H2B SLES 1 29.281 29.306 27.998 HCA2 14 0 0 0 9.000000e-0219 17 C1 SLES 1 27.786 28.897 26.193 CC32A 14 18 19 20 - 1.000000e-0220 18 H1B SLES 1 26.806 29.197 26.587 HCA2 17 0 0 0 9.000000e-0221 19 H1A SLES 1 28.461 28.076 26.632 HCA2 17 0 0 0 9.000000e-0222 20 O1 SLES 1 27.309 27.793 25.468 OC30A 17 21 0 0 - 3.400000e-0123 21 C1 SLES 1 26.479 26.857 26.141 CTL2 20 22 23 24 - 1.800000e-0124 22 H11 SLES 1 25.639 27.291 26.752 HAL2 21 0 0 0 9.000000e-0225 23 H12 SLES 1 27.089 26.219 26.829 HAL2 21 0 0 0 9.000000e-0226 24 C2 SLES 1 25.959 26.079 24.933 CTL2 21 25 26 27 - 1.800000e-0127 25 H21 SLES 1 25.299 26.683 24.265 HAL2 24 0 0 0 9.000000e-0228 26 H22 SLES 1 26.775 25.623 24.321 HAL2 24 0 0 0 9.000000e-0229 27 C3 SLES 1 25.166 25 25.552 CTL2 24 28 29 30 - 1.800000e-0130 28 H31 SLES 1 24.374 25.53 26.148 HAL2 27 0 0 0 9.000000e-0231 29 H32 SLES 1 25.893 24.446 26.208 HAL2 27 0 0 0 9.000000e-0232 30 C4 SLES 1 24.47 23.973 24.719 CTL2 27 31 32 33 - 1.800000e-0133 31 H41 SLES 1 23.721 24.443 24.035 HAL2 30 0 0 0 9.000000e-0234 32 H42 SLES 1 25.193 23.397 24.095 HAL2 30 0 0 0 9.000000e-0235 33 C5 SLES 1 23.845 23.159 25.86 CTL2 30 34 35 36 - 1.800000e-0136 34 H51 SLES 1 23.187 23.811 26.494 HAL2 33 0 0 0 9.000000e-0237 35 H52 SLES 1 24.641 22.777 26.552 HAL2 33 0 0 0 9.000000e-0238 36 C6 SLES 1 23.033 21.996 25.484 CTL2 33 37 38 39 - 1.800000e-0139 37 H61 SLES 1 22.025 22.151 25.956 HAL2 36 0 0 0 9.000000e-0240 38 H62 SLES 1 23.483 21.114 26.014 HAL2 36 0 0 0 9.000000e-0241 39 C7 SLES 1 22.888 21.707 23.985 CTL2 36 40 41 42 - 1.800000e-0142 40 H71 SLES 1 22.373 22.516 23.415 HAL2 39 0 0 0 9.000000e-0243 41 H72 SLES 1 23.849 21.466 23.474 HAL2 39 0 0 0 9.000000e-0244 42 C8 SLES 1 22.025 20.5 24.062 CTL2 39 43 44 45 - 1.800000e-0145 43 H81 SLES 1 21.09 20.813 24.606 HAL2 42 0 0 0 9.000000e-0246 44 H82 SLES 1 22.598 19.741 24.667 HAL2 42 0 0 0 9.000000e-0247 45 C9 SLES 1 21.583 19.808 22.82 CTL2 42 46 47 48 - 1.800000e-0148 46 H91 SLES 1 20.987 20.501 22.185 HAL2 45 0 0 0 9.000000e-0249 47 H92 SLES 1 22.466 19.449 22.245 HAL2 45 0 0 0 9.000000e-0250 48 C10 SLES 1 20.753 18.675 23.42 CTL2 45 49 50 51 - 1.800000e-0151 49 H10 SLES 1 19.924 19.1 24.048 HAL2 48 0 0 0 9.000000e-0252 50 H10 SLES 1 21.392 18.056 24.107 HAL2 48 0 0 0 9.000000e-0253 51 C11 SLES 1 20.134 17.748 22.425 CTL2 48 52 53 54 - 1.800000e-0154 52 H11 SLES 1 19.484 18.362 21.759 HAL2 51 0 0 0 9.000000e-0255 53 H11 SLES 1 20.961 17.312 21.818 HAL2 51 0 0 0 9.000000e-0256 54 C12 SLES 1 19.337 16.67 23.165 CTL3 51 55 56 57 - 2.700000e-0157 55 H12 SLES 1 18.268 16.727 22.882 HAL3 54 0 0 0 9.000000e-0258 56 H12 SLES 1 19.755 15.669 22.942 HAL3 54 0 0 0 9.000000e-0259 57 H12 SLES 1 19.381 16.794 24.275 HAL3 54 0 0 0 9.000000e-023 1 NA SLES 1 32.397 35.231 26.737 NA 0 0 0 0 1 4 2 S SLES 1 31.282 33.88 29.208 SL 3 4 5 6 1.33 5 3 OS1 SLES 1 30.788 33.072 28.08 OSL 2 7 0 0 -0.28 6 4 OS2 SLES 1 30.674 35.071 28.658 O2L 2 0 0 0 -0.65 7 5 OS3 SLES 1 32.652 33.652 28.81 O2L 2 0 0 0 -0.65 8 6 OS4 SLES 1 30.761 33.284 30.406 O2L 2 0 0 0 -0.65 9 7 C2 SLES 1 30.018 31.938 28.128 CC32A 3 8 9 10 -0.11 10 8 H2A SLES 1 29.033 32.147 28.623 HCA2 7 0 0 0 0.09 11 9 H2B SLES 1 30.55 31.115 28.675 HCA2 7 0 0 0 0.09 12 10 C1 SLES 1 29.84 31.605 26.631 CC32A 7 11 12 13 -0.01 13 11 H1B SLES 1 29.337 32.448 26.09 HCA2 10 0 0 0 0.09 14 12 H1A SLES 1 30.828 31.408 26.147 HCA2 10 0 0 0 0.09 15 13 O1 SLES 1 29.087 30.49 26.279 OC30A 10 14 0 0 -0.34 16 14 C2 SLES 1 28.503 29.727 27.319 CC32A 13 15 16 17 -0.01 17 15 H2A SLES 1 27.804 30.366 27.931 HCA2 14 0 0 0 0.09 18 16 H2B SLES 1 29.281 29.306 27.998 HCA2 14 0 0 0 0.09 19 17 C1 SLES 1 27.786 28.897 26.193 CC32A 14 18 19 20 -0.01 20 18 H1B SLES 1 26.806 29.197 26.587 HCA2 17 0 0 0 0.09 21 19 H1A SLES 1 28.461 28.076 26.632 HCA2 17 0 0 0 0.09 22 20 O1 SLES 1 27.309 27.793 25.468 OC30A 17 21 0 0 -0.34 23 21 C1 SLES 1 26.479 26.857 26.141 CTL2 20 22 23 24 -0.18 24 22 H11 SLES 1 25.639 27.291 26.752 HAL2 21 0 0 0 0.09 25 23 H12 SLES 1 27.089 26.219 26.829 HAL2 21 0 0 0 0.09 26 24 C2 SLES 1 25.959 26.079 24.933 CTL2 21 25 26 27 -0.18 27 25 H21 SLES 1 25.299 26.683 24.265 HAL2 24 0 0 0 0.09 28 26 H22 SLES 1 26.775 25.623 24.321 HAL2 24 0 0 0 0.09 29 27 C3 SLES 1 25.166 25 25.552 CTL2 24 28 29 30 -0.18 30 28 H31 SLES 1 24.374 25.53 26.148 HAL2 27 0 0 0 0.09 31 29 H32 SLES 1 25.893 24.446 26.208 HAL2 27 0 0 0 0.09 32 30 C4 SLES 1 24.47 23.973 24.719 CTL2 27 31 32 33 -0.18 33 31 H41 SLES 1 23.721 24.443 24.035 HAL2 30 0 0 0 0.09 34 32 H42 SLES 1 25.193 23.397 24.095 HAL2 30 0 0 0 0.09 35 33 C5 SLES 1 23.845 23.159 25.86 CTL2 30 34 35 36 -0.18 36 34 H51 SLES 1 23.187 23.811 26.494 HAL2 33 0 0 0 0.09 37 35 H52 SLES 1 24.641 22.777 26.552 HAL2 33 0 0 0 0.09 38 36 C6 SLES 1 23.033 21.996 25.484 CTL2 33 37 38 39 -0.18 39 37 H61 SLES 1 22.025 22.151 25.956 HAL2 36 0 0 0 0.09 40 38 H62 SLES 1 23.483 21.114 26.014 HAL2 36 0 0 0 0.09 41 39 C7 SLES 1 22.888 21.707 23.985 CTL2 36 40 41 42 -0.18 42 40 H71 SLES 1 22.373 22.516 23.415 HAL2 39 0 0 0 0.09 43 41 H72 SLES 1 23.849 21.466 23.474 HAL2 39 0 0 0 0.09 44 42 C8 SLES 1 22.025 20.5 24.062 CTL2 39 43 44 45 -0.18 45 43 H81 SLES 1 21.09 20.813 24.606 HAL2 42 0 0 0 0.09 46 44 H82 SLES 1 22.598 19.741 24.667 HAL2 42 0 0 0 0.09 47 45 C9 SLES 1 21.583 19.808 22.82 CTL2 42 46 47 48 -0.18 48 46 H91 SLES 1 20.987 20.501 22.185 HAL2 45 0 0 0 0.09 49 47 H92 SLES 1 22.466 19.449 22.245 HAL2 45 0 0 0 0.09 50 48 C10 SLES 1 20.753 18.675 23.42 CTL2 45 49 50 51 -0.18 51 49 H10 SLES 1 19.924 19.1 24.048 HAL2 48 0 0 0 0.09 52 50 H10 SLES 1 21.392 18.056 24.107 HAL2 48 0 0 0 0.09 53 51 C11 SLES 1 20.134 17.748 22.425 CTL2 48 52 53 54 -0.18 54 52 H11 SLES 1 19.484 18.362 21.759 HAL2 51 0 0 0 0.09 55 53 H11 SLES 1 20.961 17.312 21.818 HAL2 51 0 0 0 0.09 56 54 C12 SLES 1 19.337 16.67 23.165 CTL3 51 55 56 57 -0.27 57 55 H12 SLES 1 18.268 16.727 22.882 HAL3 54 0 0 0 0.09 58 56 H12 SLES 1 19.755 15.669 22.942 HAL3 54 0 0 0 0.09 59 57 H12 SLES 1 19.381 16.794 24.275 HAL3 54 0 0 0 0.09 -
tests/regression/Molecules/Copy/pre/tensid.potentials
r3d0892 r2034f3 10 10 particle: particle_type=CC326A, element_name=C, sigma=4.02, epsilon=0.056, sigma14=3.8, epsilon14=0.01, mass=12.011, free=3, charge=0; 11 11 particle: particle_type=CC33A, element_name=C, sigma=4.08, epsilon=0.078, sigma14=3.8, epsilon14=0.01, mass=12.011, free=3, charge=0; 12 particle: particle_type=NE, element_name=N E, sigma=3.06, epsilon=0.086, sigma14=3.06, epsilon14=0.086, mass=20.1797, free=3, charge=0;13 particle: particle_type=CLA, element_name=C L, sigma=4.54, epsilon=0.15, sigma14=4.54, epsilon14=0.15, mass=35.45, free=3, charge=0;12 particle: particle_type=NE, element_name=Ne, sigma=3.06, epsilon=0.086, sigma14=3.06, epsilon14=0.086, mass=20.1797, free=3, charge=0; 13 particle: particle_type=CLA, element_name=Cl, sigma=4.54, epsilon=0.15, sigma14=4.54, epsilon14=0.15, mass=35.45, free=3, charge=0; 14 14 particle: particle_type=DUM, element_name=H, sigma=0, epsilon=0, sigma14=0, epsilon14=0, mass=0, free=3, charge=0; 15 15 particle: particle_type=NA, element_name=Na, sigma=2.7275, epsilon=0.0469, sigma14=2.7275, epsilon14=0.0469, mass=22.98977, free=3, charge=0; … … 24 24 particle: particle_type=HAL1, element_name=H, sigma=2.64, epsilon=0.022, sigma14=2.64, epsilon14=0.022, mass=1.008, free=3, charge=0; 25 25 particle: particle_type=HEL2, element_name=H, sigma=2.52, epsilon=0.026, sigma14=2.52, epsilon14=0.026, mass=1.008, free=3, charge=0; 26 particle: particle_type=HE, element_name=H E, sigma=2.96, epsilon=0.02127, sigma14=2.96, epsilon14=0.02127, mass=4.0026, free=3, charge=0;26 particle: particle_type=HE, element_name=He, sigma=2.96, epsilon=0.02127, sigma14=2.96, epsilon14=0.02127, mass=4.0026, free=3, charge=0; 27 27 particle: particle_type=HCA3, element_name=H, sigma=2.68, epsilon=0.024, sigma14=2.68, epsilon14=0.024, mass=1.008, free=3, charge=0; 28 28 particle: particle_type=OHL, element_name=O, sigma=3.54, epsilon=0.1521, sigma14=3.54, epsilon14=0.1521, mass=15.9994, free=3, charge=0; … … 35 35 particle: particle_type=HAL2, element_name=H, sigma=2.68, epsilon=0.028, sigma14=2.68, epsilon14=0.028, mass=1.008, free=3, charge=0; 36 36 particle: particle_type=OCL, element_name=O, sigma=3.4, epsilon=0.12, sigma14=3.4, epsilon14=0.12, mass=15.9994, free=3, charge=0; 37 particle: particle_type=MG, element_name=M G, sigma=2.37, epsilon=0.015, sigma14=2.37, epsilon14=0.015, mass=24.305, free=3, charge=0;37 particle: particle_type=MG, element_name=Mg, sigma=2.37, epsilon=0.015, sigma14=2.37, epsilon14=0.015, mass=24.305, free=3, charge=0; 38 38 particle: particle_type=OC30A, element_name=O, sigma=3.3, epsilon=0.1, sigma14=3.3, epsilon14=0.1, mass=15.9994, free=3, charge=0; 39 39 particle: particle_type=HAL3, element_name=H, sigma=2.68, epsilon=0.024, sigma14=2.68, epsilon14=0.024, mass=1.008, free=3, charge=0; -
tests/regression/Molecules/Copy/testsuite-molecules-copy-molecule.at
r3d0892 r2034f3 34 34 AT_CHECK([chmod u+w $file], 0) 35 35 AT_CHECK([../../molecuilder --parse-tremolo-potentials tensid.potentials -i $file --copy-molecule 0 --position "0,0,10" --undo], 0, [stdout], [stderr]) 36 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/Copy/p ost/tensid-undo.data], 0, [ignore], [ignore])36 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/Copy/pre/tensid.data], 0, [ignore], [ignore]) 37 37 38 38 AT_CLEANUP -
tests/regression/Molecules/CreateMicelle/post/tensid.data
r3d0892 r2034f3 1 1 # ATOMDATA Id name resName chainID x=3 type neighbors=4 charge 2 2 # Box 20 0 0 0 20 0 0 0 20 3 1 NA SLES 1 -4.78921 -8.81932 -49.4988 NA 0 0 0 0 1 .000000e+004 2 S SLES 1 -3.65465 -6.08892 -48.8416 SL 3 4 5 6 1.33 0000e+005 3 OS1 SLES 1 -3.87843 -6.72987 -47.5345 OSL 2 7 0 0 - 2.800000e-016 4 OS2 SLES 1 -5.04507 -6.26428 -49.1974 O2L 2 0 0 0 - 6.500000e-017 5 OS3 SLES 1 -2.77769 -7.16165 -49.2508 O2L 2 0 0 0 - 6.500000e-018 6 OS4 SLES 1 -3.13089 -4.77823 -48.5777 O2L 2 0 0 0 - 6.500000e-019 7 C2 SLES 1 -3.60741 -6.22329 -46.2891 CC32A 3 8 9 10 - 1.100000e-0110 8 H2A SLES 1 -4.18642 -5.27916 -46.1094 HCA2 7 0 0 0 9.000000e-0211 9 H2B SLES 1 -2.50971 -6.02365 -46.1676 HCA2 7 0 0 0 9.000000e-0212 10 C1 SLES 1 -4.08461 -7.36466 -45.3654 CC32A 7 11 12 13 - 1.000000e-0213 11 H1B SLES 1 -5.17451 -7.57593 -45.5198 HCA2 10 0 0 0 9.000000e-0214 12 H1A SLES 1 -3.50731 -8.30171 -45.56 HCA2 10 0 0 0 9.000000e-0215 13 O1 SLES 1 -3.97077 -7.20268 -43.9889 OC30A 10 14 0 0 - 3.400000e-0116 14 C2 SLES 1 -3.43888 -5.98299 -43.5048 CC32A 13 15 16 17 - 1.000000e-0217 15 H2A SLES 1 -4.07191 -5.11461 -43.8464 HCA2 14 0 0 0 9.000000e-0218 16 H2B SLES 1 -2.39664 -5.82356 -43.868 HCA2 14 0 0 0 9.000000e-0219 17 C1 SLES 1 -3.79084 -6.49946 -42.0625 CC32A 14 18 19 20 - 1.000000e-0220 18 H1B SLES 1 -4.46592 -5.64619 -41.9148 HCA2 17 0 0 0 9.000000e-0221 19 H1A SLES 1 -2.64446 -6.46841 -41.9775 HCA2 17 0 0 0 9.000000e-0222 20 O1 SLES 1 -3.65176 -6.80078 -40.698 OC30A 17 21 0 0 - 3.400000e-0123 21 C1 SLES 1 -3.30681 -5.74661 -39.8105 CTL2 20 22 23 24 - 1.800000e-0124 22 H11 SLES 1 -3.89577 -4.79376 -39.9222 HAL2 21 0 0 0 9.000000e-0225 23 H12 SLES 1 -2.22607 -5.47911 -39.9242 HAL2 21 0 0 0 9.000000e-0226 24 C2 SLES 1 -3.59821 -6.44145 -38.4812 CTL2 21 25 26 27 - 1.800000e-0127 25 H21 SLES 1 -4.68093 -6.66353 -38.3229 HAL2 24 0 0 0 9.000000e-0228 26 H22 SLES 1 -3.01058 -7.38114 -38.3397 HAL2 24 0 0 0 9.000000e-0229 27 C3 SLES 1 -3.15617 -5.44694 -37.4853 CTL2 24 28 29 30 - 1.800000e-0130 28 H31 SLES 1 -3.78339 -4.53673 -37.689 HAL2 27 0 0 0 9.000000e-0231 29 H32 SLES 1 -2.06799 -5.27353 -37.7124 HAL2 27 0 0 0 9.000000e-0232 30 C4 SLES 1 -3.25076 -5.72194 -36.0195 CTL2 27 31 32 33 - 1.800000e-0133 31 H41 SLES 1 -4.3086 -5.90337 -35.7068 HAL2 30 0 0 0 9.000000e-0234 32 H42 SLES 1 -2.6485 -6.61601 -35.7335 HAL2 30 0 0 0 9.000000e-0235 33 C5 SLES 1 -2.67234 -4.39332 -35.5142 CTL2 30 34 35 36 - 1.800000e-0136 34 H51 SLES 1 -3.27901 -3.52948 -35.896 HAL2 33 0 0 0 9.000000e-0237 35 H52 SLES 1 -1.63918 -4.23443 -35.9213 HAL2 33 0 0 0 9.000000e-0238 36 C6 SLES 1 -2.57414 -4.21724 -34.0607 CTL2 33 37 38 39 - 1.800000e-0139 37 H61 SLES 1 -3.14128 -3.2776 -33.8193 HAL2 36 0 0 0 9.000000e-0240 38 H62 SLES 1 -1.4969 -3.98462 -33.8445 HAL2 36 0 0 0 9.000000e-0241 39 C7 SLES 1 -3.0599 -5.38008 -33.187 CTL2 36 40 41 42 - 1.800000e-0142 40 H71 SLES 1 -4.14638 -5.60769 -33.2982 HAL2 39 0 0 0 9.000000e-0243 41 H72 SLES 1 -2.48146 -6.32319 -33.3237 HAL2 39 0 0 0 9.000000e-0244 42 C8 SLES 1 -2.78931 -4.79548 -31.8482 CTL2 39 43 44 45 - 1.800000e-0145 43 H81 SLES 1 -3.38566 -3.84187 -31.7922 HAL2 42 0 0 0 9.000000e-0246 44 H82 SLES 1 -1.68487 -4.57231 -31.8191 HAL2 42 0 0 0 9.000000e-0247 45 C9 SLES 1 -3.10046 -5.56485 -30.612 CTL2 42 46 47 48 - 1.800000e-0148 46 H91 SLES 1 -4.18784 -5.79788 -30.5676 HAL2 45 0 0 0 9.000000e-0249 47 H92 SLES 1 -2.51928 -6.5141 -30.5936 HAL2 45 0 0 0 9.000000e-0250 48 C10 SLES 1 -2.654 -4.56383 -29.5484 CTL2 45 49 50 51 - 1.800000e-0151 49 H10 SLES 1 -3.22334 -3.60241 -29.6658 HAL2 48 0 0 0 9.000000e-0252 50 H10 SLES 1 -1.56752 -4.31378 -29.6915 HAL2 48 0 0 0 9.000000e-0253 51 C11 SLES 1 -2.828 -5.02043 -28.1364 CTL2 48 52 53 54 - 1.800000e-0154 52 H11 SLES 1 -3.9101 -5.2467 -27.9918 HAL2 51 0 0 0 9.000000e-0255 53 H11 SLES 1 -2.24453 -5.96275 -28.0178 HAL2 51 0 0 0 9.000000e-0256 54 C12 SLES 1 -2.34213 -3.92257 -27.1859 CTL3 51 55 56 57 - 2.700000e-0157 55 H12 SLES 1 -3.17756 -3.57712 -26.5465 HAL3 54 0 0 0 9.000000e-0258 56 H12 SLES 1 -1.49989 -4.29747 -26.5722 HAL3 54 0 0 0 9.000000e-0259 57 H12 SLES 1 -1.96386 -3.02324 -27.7313 HAL3 54 0 0 0 9.000000e-0260 58 NA SLES 1 9.24123 1.64418 71.603 NA 0 0 0 0 1 .000000e+0061 59 S SLES 1 7.37925 -0.607557 70.8049 SL 60 61 62 63 1.33 0000e+0062 60 OS1 SLES 1 7.74261 0.0495181 69.5378 OSL 59 64 0 0 - 2.800000e-0163 61 OS2 SLES 1 6.87441 0.637759 71.3387 O2L 59 0 0 0 - 6.500000e-0164 62 OS3 SLES 1 8.7678 -0.880562 71.0959 O2L 59 0 0 0 - 6.500000e-0165 63 OS4 SLES 1 6.47856 -1.67631 70.4757 O2L 59 0 0 0 - 6.500000e-0166 64 C2 SLES 1 7.35407 -0.293442 68.2679 CC32A 60 65 66 67 - 1.100000e-0167 65 H2A SLES 1 6.23801 -0.239842 68.1656 HCA2 64 0 0 0 9.000000e-0268 66 H2B SLES 1 7.70972 -1.32482 68.0046 HCA2 64 0 0 0 9.000000e-0269 67 C1 SLES 1 8.05344 0.785828 67.4137 CC32A 64 68 69 70 - 1.000000e-0270 68 H1B SLES 1 7.71386 1.81251 67.7086 HCA2 67 0 0 0 9.000000e-0271 69 H1A SLES 1 9.16347 0.728524 67.531 HCA2 67 0 0 0 9.000000e-0272 70 O1 SLES 1 7.8792 0.763312 66.0341 OC30A 67 71 0 0 - 3.400000e-0173 71 C2 SLES 1 7.04739 -0.242648 65.4855 CC32A 70 72 73 74 - 1.000000e-0274 72 H2A SLES 1 6.0045 -0.164001 65.907 HCA2 71 0 0 0 9.000000e-0275 73 H2B SLES 1 7.44223 -1.26114 65.7099 HCA2 71 0 0 0 9.000000e-0276 74 C1 SLES 1 7.23102 0.478817 64.1011 CC32A 71 75 76 77 - 1.000000e-0277 75 H1B SLES 1 6.14904 0.65649 64.043 HCA2 74 0 0 0 9.000000e-0278 76 H1A SLES 1 7.75946 -0.515444 63.8675 HCA2 74 0 0 0 9.000000e-0279 77 O1 SLES 1 7.47284 0.661847 62.73 OC30A 74 78 0 0 - 3.400000e-0180 78 C1 SLES 1 6.6674 -0.0556061 61.8056 CTL2 77 79 80 81 - 1.800000e-0181 79 H11 SLES 1 5.55774 -0.0306716 61.9935 HAL2 78 0 0 0 9.000000e-0282 80 H12 SLES 1 6.97094 -1.13244 61.7777 HAL2 78 0 0 0 9.000000e-0283 81 C2 SLES 1 7.04309 0.688909 60.5252 CTL2 78 82 83 84 - 1.800000e-0184 82 H21 SLES 1 6.69619 1.75006 60.5092 HAL2 81 0 0 0 9.000000e-0285 83 H22 SLES 1 8.13873 0.661981 60.308 HAL2 81 0 0 0 9.000000e-0286 84 C3 SLES 1 6.33003 -0.0705721 59.4807 CTL2 81 85 86 87 - 1.800000e-0187 85 H31 SLES 1 5.24469 -0.00200562 59.7648 HAL2 84 0 0 0 9.000000e-0288 86 H32 SLES 1 6.72639 -1.1202 59.5642 HAL2 84 0 0 0 9.000000e-0289 87 C4 SLES 1 6.42807 0.312422 58.0396 CTL2 84 88 89 90 - 1.800000e-0190 88 H41 SLES 1 6.048 1.34952 57.8672 HAL2 87 0 0 0 9.000000e-0291 89 H42 SLES 1 7.48183 0.266707 57.6771 HAL2 87 0 0 0 9.000000e-0292 90 C5 SLES 1 5.52291 -0.785032 57.4639 CTL2 87 91 92 93 - 1.800000e-0193 91 H51 SLES 1 4.49947 -0.731426 57.9219 HAL2 90 0 0 0 9.000000e-0294 92 H52 SLES 1 5.91662 -1.8004 57.7331 HAL2 90 0 0 0 9.000000e-0295 93 C6 SLES 1 5.32378 -0.792326 56.0101 CTL2 90 94 95 96 - 1.800000e-0196 94 H61 SLES 1 4.21344 -0.739757 55.845 HAL2 93 0 0 0 9.000000e-0297 95 H62 SLES 1 5.6346 -1.81162 55.6555 HAL2 93 0 0 0 9.000000e-0298 96 C7 SLES 1 6.04087 0.29928 55.2066 CTL2 93 97 98 99 - 1.800000e-0199 97 H71 SLES 1 5.71438 1.33595 55.4582 HAL2 96 0 0 0 9.000000e-02100 98 H72 SLES 1 7.15298 0.250531 55.2663 HAL2 96 0 0 0 9.000000e-02101 99 C8 SLES 1 5.57822 -0.0712677 53.8441 CTL2 96 100 101 102 - 1.800000e-01102 100 H81 SLES 1 4.45344 -0.0213796 53.8668 HAL2 99 0 0 0 9.000000e-02103 101 H82 SLES 1 5.92269 -1.13052 53.6716 HAL2 99 0 0 0 9.000000e-02104 102 C9 SLES 1 6.0151 0.716524 52.6587 CTL2 99 103 104 105 - 1.800000e-01105 103 H91 SLES 1 5.68281 1.77424 52.7562 HAL2 102 0 0 0 9.000000e-02106 104 H92 SLES 1 7.12386 0.685989 52.5642 HAL2 102 0 0 0 9.000000e-02107 105 C10 SLES 1 5.29416 -0.0423176 51.5465 CTL2 102 106 107 108 - 1.800000e-01108 106 H10 SLES 1 4.18703 -0.0391775 51.7375 HAL2 105 0 0 0 9.000000e-02109 107 H10 SLES 1 5.6176 -1.11881 51.547 HAL2 105 0 0 0 9.000000e-02110 108 C11 SLES 1 5.51476 0.492708 50.1689 CTL2 105 109 110 111 - 1.800000e-01111 109 H11 SLES 1 5.17269 1.55386 50.1664 HAL2 108 0 0 0 9.000000e-02112 110 H11 SLES 1 6.61213 0.468091 49.9749 HAL2 108 0 0 0 9.000000e-02113 111 C12 SLES 1 4.7362 -0.360704 49.1637 CTL3 108 112 113 114 - 2.700000e-01114 112 H12 SLES 1 3.98559 0.261463 48.6388 HAL3 111 0 0 0 9.000000e-02115 113 H12 SLES 1 5.43467 -0.832578 48.4455 HAL3 111 0 0 0 9.000000e-02116 114 H12 SLES 1 4.17444 -1.19245 49.6557 HAL3 111 0 0 0 9.000000e-02117 115 NA SLES 1 -2.74471 8.56651 71.6622 NA 0 0 0 0 1 .000000e+00118 116 S SLES 1 -4.4237 6.20585 70.7776 SL 117 118 119 120 1.33 0000e+00119 117 OS1 SLES 1 -3.81787 6.72401 69.5392 OSL 116 121 0 0 - 2.800000e-01120 118 OS2 SLES 1 -5.01831 7.49344 71.059 O2L 116 0 0 0 - 6.500000e-01121 119 OS3 SLES 1 -3.11956 5.99266 71.3616 O2L 116 0 0 0 - 6.500000e-01122 120 OS4 SLES 1 -5.24689 5.09062 70.4028 O2L 116 0 0 0 - 6.500000e-01123 121 C2 SLES 1 -3.95266 6.23439 68.2651 CC32A 117 122 123 124 - 1.100000e-01124 122 H2A SLES 1 -5.02715 6.25566 67.9427 HCA2 121 0 0 0 9.000000e-02125 123 H2B SLES 1 -3.55632 5.1868 68.1941 HCA2 121 0 0 0 9.000000e-02126 124 C1 SLES 1 -3.09618 7.22431 67.4465 CC32A 121 125 126 127 - 1.000000e-02127 125 H1B SLES 1 -3.48293 8.27105 67.5519 HCA2 124 0 0 0 9.000000e-02128 126 H1A SLES 1 -2.03054 7.20091 67.7827 HCA2 124 0 0 0 9.000000e-02129 127 O1 SLES 1 -2.99821 7.04478 66.0709 OC30A 124 128 0 0 - 3.400000e-01130 128 C2 SLES 1 -3.71083 5.96873 65.4886 CC32A 127 129 130 131 - 1.000000e-02131 129 H2A SLES 1 -4.81558 6.07469 65.688 HCA2 128 0 0 0 9.000000e-02132 130 H2B SLES 1 -3.37109 4.98909 65.899 HCA2 128 0 0 0 9.000000e-02133 131 C1 SLES 1 -3.25816 6.53446 64.0936 CC32A 128 132 133 134 - 1.000000e-02134 132 H1B SLES 1 -4.30738 6.68457 63.8068 HCA2 131 0 0 0 9.000000e-02135 133 H1A SLES 1 -2.698 5.53025 64.0809 HCA2 131 0 0 0 9.000000e-02136 134 O1 SLES 1 -2.753 6.56777 62.7838 OC30A 131 135 0 0 - 3.400000e-01137 135 C1 SLES 1 -3.36543 5.73693 61.8078 CTL2 134 136 137 138 - 1.800000e-01138 136 H11 SLES 1 -4.49033 5.76223 61.7727 HAL2 135 0 0 0 9.000000e-02139 137 H12 SLES 1 -3.06626 4.66949 61.9612 HAL2 135 0 0 0 9.000000e-02140 138 C2 SLES 1 -2.74457 6.34071 60.5488 CTL2 135 139 140 141 - 1.800000e-01141 139 H21 SLES 1 -3.07775 7.38687 60.3459 HAL2 138 0 0 0 9.000000e-02142 140 H22 SLES 1 -1.62771 6.3099 60.5529 HAL2 138 0 0 0 9.000000e-02143 141 C3 SLES 1 -3.24313 5.45641 59.4785 CTL2 138 142 143 144 - 1.800000e-01144 142 H31 SLES 1 -4.36277 5.53624 59.5369 HAL2 141 0 0 0 9.000000e-02145 143 H32 SLES 1 -2.87455 4.43014 59.7554 HAL2 141 0 0 0 9.000000e-02146 144 C4 SLES 1 -2.86461 5.67794 58.0499 CTL2 141 145 146 147 - 1.800000e-01147 145 H41 SLES 1 -3.19994 6.68215 57.6909 HAL2 144 0 0 0 9.000000e-02148 146 H42 SLES 1 -1.76058 5.61149 57.9065 HAL2 144 0 0 0 9.000000e-02149 147 C5 SLES 1 -3.64423 4.50661 57.4373 CTL2 144 148 149 150 - 1.800000e-01150 148 H51 SLES 1 -4.73711 4.59212 57.6789 HAL2 147 0 0 0 9.000000e-02151 149 H52 SLES 1 -3.31432 3.53505 57.8908 HAL2 147 0 0 0 9.000000e-02152 150 C6 SLES 1 -3.55615 4.33347 55.9828 CTL2 147 151 152 153 - 1.800000e-01153 151 H61 SLES 1 -4.61279 4.34682 55.6005 HAL2 150 0 0 0 9.000000e-02154 152 H62 SLES 1 -3.18594 3.28687 55.8128 HAL2 150 0 0 0 9.000000e-02155 153 C7 SLES 1 -2.69212 5.34162 55.2156 CTL2 150 154 155 156 - 1.800000e-01156 154 H71 SLES 1 -3.05756 6.3937 55.2803 HAL2 153 0 0 0 9.000000e-02157 155 H72 SLES 1 -1.61318 5.32034 55.4952 HAL2 153 0 0 0 9.000000e-02158 156 C8 SLES 1 -2.88165 4.81289 53.8401 CTL2 153 157 158 159 - 1.800000e-01159 157 H81 SLES 1 -3.98908 4.84426 53.6382 HAL2 156 0 0 0 9.000000e-02160 158 H82 SLES 1 -2.51409 3.74753 53.8586 HAL2 156 0 0 0 9.000000e-02161 159 C9 SLES 1 -2.21913 5.47139 52.6807 CTL2 156 160 161 162 - 1.800000e-01162 160 H91 SLES 1 -2.56013 6.52708 52.5916 HAL2 159 0 0 0 9.000000e-02163 161 H92 SLES 1 -1.11336 5.45095 52.8073 HAL2 159 0 0 0 9.000000e-02164 162 C10 SLES 1 -2.71222 4.58003 51.5427 CTL2 159 163 164 165 - 1.800000e-01165 163 H10 SLES 1 -3.83533 4.58406 51.5136 HAL2 162 0 0 0 9.000000e-02166 164 H10 SLES 1 -2.39908 3.51646 51.7277 HAL2 162 0 0 0 9.000000e-02167 165 C11 SLES 1 -2.22532 4.96197 50.1828 CTL2 162 166 167 168 - 1.800000e-01168 166 H11 SLES 1 -2.55639 6.00972 49.9939 HAL2 165 0 0 0 9.000000e-02169 167 H11 SLES 1 -1.11128 4.93608 50.2095 HAL2 165 0 0 0 9.000000e-02170 168 C12 SLES 1 -2.79614 3.98752 49.1486 CTL3 165 169 170 171 - 2.700000e-01171 169 H12 SLES 1 -3.42769 4.53328 48.421 HAL3 168 0 0 0 9.000000e-02172 170 H12 SLES 1 -1.97279 3.45139 48.6376 HAL3 168 0 0 0 9.000000e-02173 171 H12 SLES 1 -3.4461 3.20565 49.613 HAL3 168 0 0 0 9.000000e-02174 172 NA SLES 1 -2.75689 -5.29925 72.0339 NA 0 0 0 0 1 .000000e+00175 173 S SLES 1 -4.4192 -7.41317 70.6403 SL 174 175 176 177 1.33 0000e+00176 174 OS1 SLES 1 -3.81823 -6.62561 69.5504 OSL 173 178 0 0 - 2.800000e-01177 175 OS2 SLES 1 -5.02303 -6.22611 71.2032 O2L 173 0 0 0 - 6.500000e-01178 176 OS3 SLES 1 -3.11303 -7.74249 71.1625 O2L 173 0 0 0 - 6.500000e-01179 177 OS4 SLES 1 -5.23447 -8.42173 70.0238 O2L 173 0 0 0 - 6.500000e-01180 178 C2 SLES 1 -3.95048 -6.81751 68.1988 CC32A 174 179 180 181 - 1.100000e-01181 179 H2A SLES 1 -5.02537 -6.73227 67.8885 HCA2 178 0 0 0 9.000000e-02182 180 H2B SLES 1 -3.54651 -7.81945 67.8946 HCA2 178 0 0 0 9.000000e-02183 181 C1 SLES 1 -3.10201 -5.66274 67.6242 CC32A 178 182 183 184 - 1.000000e-02184 182 H1B SLES 1 -3.49636 -4.66929 67.9616 HCA2 181 0 0 0 9.000000e-02185 183 H1A SLES 1 -2.03594 -5.75322 67.9475 HCA2 181 0 0 0 9.000000e-02186 184 O1 SLES 1 -3.00386 -5.52795 66.2435 OC30A 181 185 0 0 - 3.400000e-01187 185 C2 SLES 1 -3.70903 -6.45091 65.4337 CC32A 184 186 187 188 - 1.000000e-02188 186 H2A SLES 1 -4.81437 -6.40058 65.6509 HCA2 185 0 0 0 9.000000e-02189 187 H2B SLES 1 -3.36175 -7.49518 65.6139 HCA2 185 0 0 0 9.000000e-02190 188 C1 SLES 1 -3.26171 -5.58297 64.2019 CC32A 185 189 190 191 - 1.000000e-02191 189 H1B SLES 1 -4.31224 -5.38001 63.9552 HCA2 188 0 0 0 9.000000e-02192 190 H1A SLES 1 -2.69418 -6.55452 63.9644 HCA2 188 0 0 0 9.000000e-02193 191 O1 SLES 1 -2.7579 -5.25257 62.9334 OC30A 188 192 0 0 - 3.400000e-01194 192 C1 SLES 1 -3.36502 -5.84743 61.7952 CTL2 191 193 194 195 - 1.800000e-01195 193 H11 SLES 1 -4.49011 -5.82318 61.7657 HAL2 192 0 0 0 9.000000e-02196 194 H12 SLES 1 -3.05787 -6.91983 61.7052 HAL2 192 0 0 0 9.000000e-02197 195 C2 SLES 1 -2.74967 -4.97173 60.7046 CTL2 192 196 197 198 - 1.800000e-01198 196 H21 SLES 1 -3.09072 -3.90921 60.7416 HAL2 195 0 0 0 9.000000e-02199 197 H22 SLES 1 -1.63261 -4.99444 60.7025 HAL2 195 0 0 0 9.000000e-02200 198 C3 SLES 1 -3.24261 -5.59665 59.4625 CTL2 195 199 200 201 - 1.800000e-01201 199 H31 SLES 1 -4.36276 -5.54022 59.5364 HAL2 198 0 0 0 9.000000e-02202 200 H32 SLES 1 -2.86625 -6.65616 59.5022 HAL2 198 0 0 0 9.000000e-02203 201 C4 SLES 1 -2.86692 -5.05711 58.1206 CTL2 198 202 203 204 - 1.800000e-01204 202 H41 SLES 1 -3.20993 -4.00042 57.996 HAL2 201 0 0 0 9.000000e-02205 203 H42 SLES 1 -1.76256 -5.0815 57.9668 HAL2 201 0 0 0 9.000000e-02206 204 C5 SLES 1 -3.63841 -6.0666 57.2599 CTL2 201 205 206 207 - 1.800000e-01207 205 H51 SLES 1 -4.73169 -6.04559 57.5135 HAL2 204 0 0 0 9.000000e-02208 206 H52 SLES 1 -3.30098 -7.11274 57.4838 HAL2 204 0 0 0 9.000000e-02209 207 C6 SLES 1 -3.55028 -5.90795 55.8037 CTL2 204 208 209 210 - 1.800000e-01210 208 H61 SLES 1 -4.60731 -5.81684 55.4332 HAL2 207 0 0 0 9.000000e-02211 209 H62 SLES 1 -3.17251 -6.88686 55.4033 HAL2 207 0 0 0 9.000000e-02212 210 C7 SLES 1 -2.69433 -4.7469 55.2833 CTL2 207 211 212 213 - 1.800000e-01213 211 H71 SLES 1 -3.06746 -3.73894 55.5823 HAL2 210 0 0 0 9.000000e-02214 212 H72 SLES 1 -1.61503 -4.82249 55.5518 HAL2 210 0 0 0 9.000000e-02215 213 C8 SLES 1 -2.88112 -4.95451 53.824 CTL2 210 214 215 216 - 1.800000e-01216 214 H81 SLES 1 -3.98892 -4.88675 53.6334 HAL2 213 0 0 0 9.000000e-02217 215 H82 SLES 1 -2.50571 -5.99406 53.603 HAL2 213 0 0 0 9.000000e-02218 216 C9 SLES 1 -2.22444 -4.04754 52.8427 CTL2 213 217 218 219 - 1.800000e-01219 217 H91 SLES 1 -2.57327 -3.00136 52.9927 HAL2 216 0 0 0 9.000000e-02220 218 H92 SLES 1 -1.11844 -4.08777 52.9624 HAL2 216 0 0 0 9.000000e-02221 219 C10 SLES 1 -2.7119 -4.66412 51.5332 CTL2 216 220 221 222 - 1.800000e-01222 220 H10 SLES 1 -3.83504 -4.66191 51.5048 HAL2 219 0 0 0 9.000000e-02223 221 H10 SLES 1 -2.39079 -5.73972 51.4748 HAL2 219 0 0 0 9.000000e-02224 222 C11 SLES 1 -2.22897 -3.98288 50.2941 CTL2 219 223 224 225 - 1.800000e-01225 223 H11 SLES 1 -2.5679 -2.92194 50.3452 HAL2 222 0 0 0 9.000000e-02226 224 H11 SLES 1 -1.11475 -4.0059 50.3153 HAL2 222 0 0 0 9.000000e-02227 225 C12 SLES 1 -2.79346 -4.7043 49.067 CTL3 222 226 227 228 - 2.700000e-01228 226 H12 SLES 1 -3.42963 -4.01371 48.4801 HAL3 225 0 0 0 9.000000e-02229 227 H12 SLES 1 -1.96662 -5.10586 48.4494 HAL3 225 0 0 0 9.000000e-02230 228 H12 SLES 1 -3.43727 -5.57526 49.3434 HAL3 225 0 0 0 9.000000e-02231 229 NA SLES 1 24.6115 1.64418 67.1462 NA 0 0 0 0 1 .000000e+00232 230 S SLES 1 22.6065 -0.607557 66.8572 SL 231 232 233 234 1.33 0000e+00233 231 OS1 SLES 1 22.6295 0.0495181 65.5392 OSL 230 235 0 0 - 2.800000e-01234 232 OS2 SLES 1 22.257 0.637759 67.5035 O2L 230 0 0 0 - 6.500000e-01235 233 OS3 SLES 1 24.023 -0.880562 66.7789 O2L 230 0 0 0 - 6.500000e-01236 234 OS4 SLES 1 21.6512 -1.67631 66.7723 O2L 230 0 0 0 - 6.500000e-01237 235 C2 SLES 1 21.9255 -0.293442 64.4132 CC32A 231 236 237 238 - 1.100000e-01238 236 H2A SLES 1 20.821 -0.239842 64.6032 HCA2 235 0 0 0 9.000000e-02239 237 H2B SLES 1 22.2009 -1.32482 64.0668 HCA2 235 0 0 0 9.000000e-02240 238 C1 SLES 1 22.38 0.785828 63.4071 CC32A 235 239 240 241 - 1.000000e-02241 239 H1B SLES 1 22.1283 1.81251 63.7798 HCA2 238 0 0 0 9.000000e-02242 240 H1A SLES 1 23.4825 0.728524 63.2331 HCA2 238 0 0 0 9.000000e-02243 241 O1 SLES 1 21.8546 0.763312 62.1196 OC30A 238 242 0 0 - 3.400000e-01244 242 C2 SLES 1 20.9092 -0.242648 61.805 CC32A 241 243 244 245 - 1.000000e-02245 243 H2A SLES 1 20.0109 -0.164001 62.4821 HCA2 242 0 0 0 9.000000e-02246 244 H2B SLES 1 21.3486 -1.26114 61.9195 HCA2 242 0 0 0 9.000000e-02247 245 C1 SLES 1 20.7282 0.478817 60.4202 CC32A 242 246 247 248 - 1.000000e-02248 246 H1B SLES 1 19.668 0.65649 60.6441 HCA2 245 0 0 0 9.000000e-02249 247 H1A SLES 1 21.1782 -0.515444 60.0578 HCA2 245 0 0 0 9.000000e-02250 248 O1 SLES 1 20.6069 0.661847 59.0332 OC30A 245 249 0 0 - 3.400000e-01251 249 C1 SLES 1 19.5897 -0.0556061 58.3488 CTL2 248 250 251 252 - 1.800000e-01252 250 H11 SLES 1 18.5665 -0.0306716 58.8175 HAL2 249 0 0 0 9.000000e-02253 251 H12 SLES 1 19.8756 -1.13244 58.2433 HAL2 249 0 0 0 9.000000e-02254 252 C2 SLES 1 19.6212 0.688909 57.0148 CTL2 249 253 254 255 - 1.800000e-01255 253 H21 SLES 1 19.2819 1.75006 57.0891 HAL2 252 0 0 0 9.000000e-02256 254 H22 SLES 1 20.6232 0.661981 56.5214 HAL2 252 0 0 0 9.000000e-02257 255 C3 SLES 1 18.6621 -0.0705721 56.1904 CTL2 252 256 257 258 - 1.800000e-01258 256 H31 SLES 1 17.6872 -0.00200562 56.7457 HAL2 255 0 0 0 9.000000e-02259 257 H32 SLES 1 19.0665 -1.1202 56.1685 HAL2 255 0 0 0 9.000000e-02260 258 C4 SLES 1 18.3838 0.312422 54.7731 CTL2 255 259 260 261 - 1.800000e-01261 259 H41 SLES 1 17.972 1.34952 54.7049 HAL2 258 0 0 0 9.000000e-02262 260 H42 SLES 1 19.3078 0.266707 54.1502 HAL2 258 0 0 0 9.000000e-02263 261 C5 SLES 1 17.3605 -0.785032 54.4513 CTL2 258 262 263 264 - 1.800000e-01264 262 H51 SLES 1 16.4904 -0.731426 55.1585 HAL2 261 0 0 0 9.000000e-02265 263 H52 SLES 1 17.8104 -1.8004 54.6094 HAL2 261 0 0 0 9.000000e-02266 264 C6 SLES 1 16.7919 -0.792326 53.0985 CTL2 261 265 266 267 - 1.800000e-01267 265 H61 SLES 1 15.6766 -0.739757 53.2264 HAL2 264 0 0 0 9.000000e-02268 266 H62 SLES 1 17.0003 -1.81162 52.6756 HAL2 264 0 0 0 9.000000e-02269 267 C7 SLES 1 17.2765 0.29928 52.1368 CTL2 264 268 269 270 - 1.800000e-01270 268 H71 SLES 1 17.0263 1.33595 52.4643 HAL2 267 0 0 0 9.000000e-02271 269 H72 SLES 1 18.3662 0.250531 51.9066 HAL2 267 0 0 0 9.000000e-02272 270 C8 SLES 1 16.477 -0.0712677 50.9405 CTL2 267 271 272 273 - 1.800000e-01273 271 H81 SLES 1 15.3964 -0.0213796 51.2535 HAL2 270 0 0 0 9.000000e-02274 272 H82 SLES 1 16.7651 -1.13052 50.6847 HAL2 270 0 0 0 9.000000e-02275 273 C9 SLES 1 16.5922 0.716524 49.6824 CTL2 270 274 275 276 - 1.800000e-01276 274 H91 SLES 1 16.2965 1.77424 49.8625 HAL2 273 0 0 0 9.000000e-02277 275 H92 SLES 1 17.6387 0.685989 49.3042 HAL2 273 0 0 0 9.000000e-02278 276 C10 SLES 1 15.608 -0.0423176 48.7947 CTL2 273 277 278 279 - 1.800000e-01279 277 H10 SLES 1 14.588 -0.0391775 49.2657 HAL2 276 0 0 0 9.000000e-02280 278 H10 SLES 1 15.9205 -1.11881 48.7114 HAL2 276 0 0 0 9.000000e-02281 279 C11 SLES 1 15.4645 0.492708 47.407 CTL2 276 280 281 282 - 1.800000e-01282 280 H11 SLES 1 15.1334 1.55386 47.493 HAL2 279 0 0 0 9.000000e-02283 281 H11 SLES 1 16.4743 0.468091 46.9355 HAL2 279 0 0 0 9.000000e-02284 282 C12 SLES 1 14.4523 -0.360704 46.6375 CTL3 279 283 284 285 - 2.700000e-01285 283 H12 SLES 1 13.5914 0.261463 46.3247 HAL3 282 0 0 0 9.000000e-02286 284 H12 SLES 1 14.9411 -0.832578 45.7629 HAL3 282 0 0 0 9.000000e-02287 285 H12 SLES 1 14.037 -1.19245 47.2581 HAL3 282 0 0 0 9.000000e-02288 286 NA SLES 1 20.1055 15.3421 66.8678 NA 0 0 0 0 1 .000000e+00289 287 S SLES 1 18.2117 12.98 66.958 SL 288 289 290 291 1.33 0000e+00290 288 OS1 SLES 1 18.3131 13.3288 65.5307 OSL 287 292 0 0 - 2.800000e-01291 289 OS2 SLES 1 17.7682 14.3174 67.2825 O2L 287 0 0 0 - 6.500000e-01292 290 OS3 SLES 1 19.639 12.7714 67.039 O2L 287 0 0 0 - 6.500000e-01293 291 OS4 SLES 1 17.3052 11.8702 67.0514 O2L 287 0 0 0 - 6.500000e-01294 292 C2 SLES 1 17.7115 12.7082 64.4658 CC32A 288 293 294 295 - 1.100000e-01295 293 H2A SLES 1 16.5943 12.7444 64.5638 HCA2 292 0 0 0 9.000000e-02296 294 H2B SLES 1 18.05 11.6417 64.3797 HCA2 292 0 0 0 9.000000e-02297 295 C1 SLES 1 18.2033 13.56 63.2757 CC32A 292 296 297 298 - 1.000000e-02298 296 H1B SLES 1 17.8864 14.6291 63.3901 HCA2 295 0 0 0 9.000000e-02299 297 H1A SLES 1 19.3173 13.5237 63.1939 HCA2 295 0 0 0 9.000000e-02300 298 O1 SLES 1 17.7805 13.2251 61.9938 OC30A 295 299 0 0 - 3.400000e-01301 299 C2 SLES 1 16.8994 12.1261 61.8505 CC32A 298 300 301 302 - 1.000000e-02302 300 H2A SLES 1 15.949 12.3054 62.4302 HCA2 299 0 0 0 9.000000e-02303 301 H2B SLES 1 17.3652 11.1829 62.2206 HCA2 299 0 0 0 9.000000e-02304 302 C1 SLES 1 16.8004 12.5121 60.3299 CC32A 299 303 304 305 - 1.000000e-02305 303 H1B SLES 1 15.7203 12.6789 60.436 HCA2 302 0 0 0 9.000000e-02306 304 H1A SLES 1 17.3128 11.4873 60.2316 HCA2 302 0 0 0 9.000000e-02307 305 O1 SLES 1 16.7805 12.3764 58.9323 OC30A 302 306 0 0 - 3.400000e-01308 306 C1 SLES 1 15.8461 11.4726 58.3598 CTL2 305 307 308 309 - 1.800000e-01309 307 H11 SLES 1 14.7894 11.5469 58.7407 HAL2 306 0 0 0 9.000000e-02310 308 H12 SLES 1 16.1782 10.4158 58.5187 HAL2 306 0 0 0 9.000000e-02311 309 C2 SLES 1 15.954 11.9035 56.8977 CTL2 306 310 311 312 - 1.800000e-01312 310 H21 SLES 1 15.5719 12.9353 56.7083 HAL2 309 0 0 0 9.000000e-02313 311 H22 SLES 1 16.9917 11.8206 56.4918 HAL2 309 0 0 0 9.000000e-02314 312 C3 SLES 1 15.0899 10.9308 56.2025 CTL2 309 313 314 315 - 1.800000e-01315 313 H31 SLES 1 14.0731 11.0693 56.661 HAL2 312 0 0 0 9.000000e-02316 314 H32 SLES 1 15.5326 9.92518 56.4446 HAL2 312 0 0 0 9.000000e-02317 315 C4 SLES 1 14.9088 10.9749 54.7198 CTL2 312 316 317 318 - 1.800000e-01318 316 H41 SLES 1 14.4663 11.9479 54.3925 HAL2 315 0 0 0 9.000000e-02319 317 H42 SLES 1 15.8794 10.8409 54.1871 HAL2 315 0 0 0 9.000000e-02320 318 C5 SLES 1 13.9539 9.78108 54.5848 CTL2 315 319 320 321 - 1.800000e-01321 319 H51 SLES 1 13.0302 9.94424 55.2015 HAL2 318 0 0 0 9.000000e-02322 320 H52 SLES 1 14.4267 8.85114 54.9972 HAL2 318 0 0 0 9.000000e-02323 321 C6 SLES 1 13.4926 9.44419 53.2332 CTL2 318 322 323 324 - 1.800000e-01324 322 H61 SLES 1 12.3696 9.46502 53.2703 HAL2 321 0 0 0 9.000000e-02325 323 H62 SLES 1 13.77 8.36891 53.0654 HAL2 321 0 0 0 9.000000e-02326 324 C7 SLES 1 14.0106 10.3194 52.0855 CTL2 321 325 326 327 - 1.800000e-01327 325 H71 SLES 1 13.6983 11.3882 52.1538 HAL2 324 0 0 0 9.000000e-02328 326 H72 SLES 1 15.1159 10.2783 51.9463 HAL2 324 0 0 0 9.000000e-02329 327 C8 SLES 1 13.3202 9.65135 50.952 CTL2 324 328 329 330 - 1.800000e-01330 328 H81 SLES 1 12.2175 9.71243 51.1721 HAL2 327 0 0 0 9.000000e-02331 329 H82 SLES 1 13.6655 8.57841 50.9611 HAL2 327 0 0 0 9.000000e-02332 330 C9 SLES 1 13.5041 10.1456 49.5597 CTL2 327 331 332 333 - 1.800000e-01333 331 H91 SLES 1 13.1572 11.1999 49.4769 HAL2 330 0 0 0 9.000000e-02334 332 H92 SLES 1 14.5772 10.0871 49.2696 HAL2 330 0 0 0 9.000000e-02335 333 C10 SLES 1 12.6198 9.15813 48.801 CTL2 330 334 335 336 - 1.800000e-01336 334 H10 SLES 1 11.5669 9.21192 49.1893 HAL2 333 0 0 0 9.000000e-02337 335 H10 SLES 1 12.9766 8.10795 48.9833 HAL2 333 0 0 0 9.000000e-02338 336 C11 SLES 1 12.5652 9.36393 47.3221 CTL2 333 337 338 339 - 1.800000e-01339 337 H11 SLES 1 12.1902 10.3988 47.1447 HAL2 336 0 0 0 9.000000e-02340 338 H11 SLES 1 13.6087 9.2886 46.9375 HAL2 336 0 0 0 9.000000e-02341 339 C12 SLES 1 11.6473 8.30913 46.6978 CTL3 336 340 341 342 - 2.700000e-01342 340 H12 SLES 1 10.7913 8.80028 46.1956 HAL3 339 0 0 0 9.000000e-02343 341 H12 SLES 1 12.2192 7.68152 45.9868 HAL3 339 0 0 0 9.000000e-02344 342 H12 SLES 1 11.2155 7.61496 47.4601 HAL3 339 0 0 0 9.000000e-02345 343 NA SLES 1 8.45399 23.8099 66.8788 NA 0 0 0 0 1 .000000e+00346 344 S SLES 1 6.65284 21.3758 66.9487 SL 345 346 347 348 1.33 0000e+00347 345 OS1 SLES 1 7.017 21.5359 65.5306 OSL 344 349 0 0 - 2.800000e-01348 346 OS2 SLES 1 6.11372 22.7167 66.991 O2L 344 0 0 0 - 6.500000e-01349 347 OS3 SLES 1 8.04345 21.2626 67.3238 O2L 344 0 0 0 - 6.500000e-01350 348 OS4 SLES 1 5.78041 20.238 67.0281 O2L 344 0 0 0 - 6.500000e-01351 349 C2 SLES 1 6.65192 20.7448 64.4714 CC32A 345 350 351 352 - 1.100000e-01352 350 H2A SLES 1 5.53629 20.7292 64.3528 HCA2 349 0 0 0 9.000000e-02353 351 H2B SLES 1 7.03378 19.6976 64.6027 HCA2 349 0 0 0 9.000000e-02354 352 C1 SLES 1 7.33746 21.4567 63.2853 CC32A 349 353 354 355 - 1.000000e-02355 353 H1B SLES 1 6.97138 22.5114 63.1852 HCA2 352 0 0 0 9.000000e-02356 354 H1A SLES 1 8.44696 21.4742 63.4191 HCA2 352 0 0 0 9.000000e-02357 355 O1 SLES 1 7.1808 20.9295 62.008 OC30A 352 356 0 0 - 3.400000e-01358 356 C2 SLES 1 6.37853 19.7722 61.8603 CC32A 355 357 358 359 - 1.000000e-02359 357 H2A SLES 1 5.32902 19.9723 62.2208 HCA2 356 0 0 0 9.000000e-02360 358 H2B SLES 1 6.79325 18.9155 62.4413 HCA2 356 0 0 0 9.000000e-02361 359 C1 SLES 1 6.56303 19.945 60.3089 CC32A 356 360 361 362 - 1.000000e-02362 360 H1B SLES 1 5.47814 20.0619 60.1864 HCA2 359 0 0 0 9.000000e-02363 361 H1A SLES 1 7.11642 18.9476 60.4549 HCA2 359 0 0 0 9.000000e-02364 362 O1 SLES 1 6.81759 19.6228 58.966 OC30A 359 363 0 0 - 3.400000e-01365 363 C1 SLES 1 6.03986 18.5981 58.3635 CTL2 362 364 365 366 - 1.800000e-01366 364 H11 SLES 1 4.92769 18.6616 58.5257 HAL2 363 0 0 0 9.000000e-02367 365 H12 SLES 1 6.36774 17.593 58.7304 HAL2 363 0 0 0 9.000000e-02368 366 C2 SLES 1 6.41457 18.8351 56.9012 CTL2 363 367 368 369 - 1.800000e-01369 367 H21 SLES 1 6.04424 19.8086 56.4989 HAL2 366 0 0 0 9.000000e-02370 368 H22 SLES 1 7.51313 18.7588 56.7123 HAL2 366 0 0 0 9.000000e-02371 369 C3 SLES 1 5.73161 17.7299 56.2023 CTL2 366 370 371 372 - 1.800000e-01372 370 H31 SLES 1 4.64158 17.8696 56.4383 HAL2 369 0 0 0 9.000000e-02373 371 H32 SLES 1 6.15029 16.793 56.6634 HAL2 369 0 0 0 9.000000e-02374 372 C4 SLES 1 5.83882 17.5648 54.721 CTL2 369 373 374 375 - 1.800000e-01375 373 H41 SLES 1 5.4378 18.4582 54.1817 HAL2 372 0 0 0 9.000000e-02376 374 H42 SLES 1 6.89774 17.4171 54.4036 HAL2 372 0 0 0 9.000000e-02377 375 C5 SLES 1 4.96561 16.3106 54.5812 CTL2 372 376 377 378 - 1.800000e-01378 376 H51 SLES 1 3.93566 16.5012 54.9848 HAL2 375 0 0 0 9.000000e-02379 377 H52 SLES 1 5.37858 15.473 55.2028 HAL2 375 0 0 0 9.000000e-02380 378 C6 SLES 1 4.78464 15.7699 53.2291 CTL2 375 379 380 381 - 1.800000e-01381 379 H61 SLES 1 3.67552 15.7307 53.0525 HAL2 378 0 0 0 9.000000e-02382 380 H62 SLES 1 5.12253 14.6997 53.2708 HAL2 378 0 0 0 9.000000e-02383 381 C7 SLES 1 5.48699 16.5122 52.0858 CTL2 378 382 383 384 - 1.800000e-01384 382 H71 SLES 1 5.1343 17.5608 51.9418 HAL2 381 0 0 0 9.000000e-02385 383 H72 SLES 1 6.59909 16.5167 52.1629 HAL2 381 0 0 0 9.000000e-02386 384 C8 SLES 1 5.04958 15.6599 50.9501 CTL2 381 385 386 387 - 1.800000e-01387 385 H81 SLES 1 3.92377 15.6861 50.9493 HAL2 384 0 0 0 9.000000e-02388 386 H82 SLES 1 5.41976 14.6195 51.1761 HAL2 384 0 0 0 9.000000e-02389 387 C9 SLES 1 5.48332 15.9733 49.5607 CTL2 384 388 389 390 - 1.800000e-01390 388 H91 SLES 1 5.12627 16.9852 49.2654 HAL2 387 0 0 0 9.000000e-02391 389 H92 SLES 1 6.59356 15.9386 49.4876 HAL2 387 0 0 0 9.000000e-02392 390 C10 SLES 1 4.79331 14.8439 48.7986 CTL2 387 391 392 393 - 1.800000e-01393 391 H10 SLES 1 3.6841 14.8882 48.9716 HAL2 390 0 0 0 9.000000e-02394 392 H10 SLES 1 5.14071 13.8499 49.1919 HAL2 390 0 0 0 9.000000e-02395 393 C11 SLES 1 5.01885 14.8465 47.3215 CTL2 390 394 395 396 - 1.800000e-01396 394 H11 SLES 1 4.65319 15.825 46.9318 HAL2 393 0 0 0 9.000000e-02397 395 H11 SLES 1 6.1188 14.7808 47.1534 HAL2 393 0 0 0 9.000000e-02398 396 C12 SLES 1 4.27203 13.6665 46.6933 CTL3 393 397 398 399 - 2.700000e-01399 397 H12 SLES 1 3.51423 14.0359 45.9754 HAL3 396 0 0 0 9.000000e-02400 398 H12 SLES 1 4.98969 12.9835 46.1983 HAL3 396 0 0 0 9.000000e-02401 399 H12 SLES 1 3.723 13.0568 47.4523 HAL3 396 0 0 0 9.000000e-02402 400 NA SLES 1 -5.96839 23.866 67.1749 NA 0 0 0 0 1 .000000e+00403 401 S SLES 1 -7.62567 21.3539 66.8329 SL 402 403 404 405 1.33 0000e+00404 402 OS1 SLES 1 -6.94621 21.5375 65.5391 OSL 401 406 0 0 - 2.800000e-01405 403 OS2 SLES 1 -8.21866 22.6693 66.7403 O2L 401 0 0 0 - 6.500000e-01406 404 OS3 SLES 1 -6.35839 21.3006 67.5245 O2L 401 0 0 0 - 6.500000e-01407 405 OS4 SLES 1 -8.44093 20.1781 66.7112 O2L 401 0 0 0 - 6.500000e-01408 406 C2 SLES 1 -7.01687 20.7366 64.4279 CC32A 402 407 408 409 - 1.100000e-01409 407 H2A SLES 1 -8.07165 20.6721 64.0508 HCA2 406 0 0 0 9.000000e-02410 408 H2B SLES 1 -6.6304 19.7067 64.6508 HCA2 406 0 0 0 9.000000e-02411 409 C1 SLES 1 -6.10434 21.4845 63.4322 CC32A 406 410 411 412 - 1.000000e-02412 410 H1B SLES 1 -6.48314 22.5224 63.2433 HCA2 409 0 0 0 9.000000e-02413 411 H1A SLES 1 -5.05917 21.5505 63.8227 HCA2 409 0 0 0 9.000000e-02414 412 O1 SLES 1 -5.93313 20.9576 62.1566 OC30A 409 413 0 0 - 3.400000e-01415 413 C2 SLES 1 -6.62609 19.7666 61.8308 CC32A 412 414 415 416 - 1.000000e-02416 414 H2A SLES 1 -7.73872 19.918 61.9338 HCA2 413 0 0 0 9.000000e-02417 415 H2B SLES 1 -6.32174 18.9261 62.4975 HCA2 413 0 0 0 9.000000e-02418 416 C1 SLES 1 -6.09035 19.9557 60.3652 CC32A 413 417 418 419 - 1.000000e-02419 417 H1B SLES 1 -7.12025 20.0249 59.9908 HCA2 416 0 0 0 9.000000e-02420 418 H1A SLES 1 -5.54297 18.9831 60.6424 HCA2 416 0 0 0 9.000000e-02421 419 O1 SLES 1 -5.51355 19.6522 59.1213 OC30A 416 420 0 0 - 3.400000e-01422 420 C1 SLES 1 -6.08177 18.5972 58.3585 CTL2 419 421 422 423 - 1.800000e-01423 421 H11 SLES 1 -7.20263 18.6103 58.2547 HAL2 420 0 0 0 9.000000e-02424 422 H12 SLES 1 -5.8049 17.6057 58.7975 HAL2 420 0 0 0 9.000000e-02425 423 C2 SLES 1 -5.3851 18.8583 57.0238 CTL2 420 424 425 426 - 1.800000e-01426 424 H21 SLES 1 -5.69348 19.8165 56.5406 HAL2 423 0 0 0 9.000000e-02427 425 H22 SLES 1 -4.27063 18.8318 57.0985 HAL2 423 0 0 0 9.000000e-02428 426 C3 SLES 1 -5.8351 17.7276 56.19 CTL2 423 427 428 429 - 1.800000e-01429 427 H31 SLES 1 -6.95517 17.8175 56.1627 HAL2 426 0 0 0 9.000000e-02430 428 H32 SLES 1 -5.4952 16.8078 56.7415 HAL2 426 0 0 0 9.000000e-02431 429 C4 SLES 1 -5.37586 17.5753 54.7762 CTL2 426 430 431 432 - 1.800000e-01432 430 H41 SLES 1 -5.67832 18.4528 54.1531 HAL2 429 0 0 0 9.000000e-02433 431 H42 SLES 1 -4.26653 17.4764 54.717 HAL2 429 0 0 0 9.000000e-02434 432 C5 SLES 1 -6.13524 16.2843 54.4419 CTL2 429 433 434 435 - 1.800000e-01435 433 H51 SLES 1 -7.23859 16.4268 54.5914 HAL2 432 0 0 0 9.000000e-02436 434 H52 SLES 1 -5.84297 15.4626 55.1475 HAL2 432 0 0 0 9.000000e-02437 435 C6 SLES 1 -5.9695 15.7432 53.088 CTL2 432 436 437 438 - 1.800000e-01438 436 H61 SLES 1 -7.00327 15.6557 52.6561 HAL2 435 0 0 0 9.000000e-02439 437 H62 SLES 1 -5.60365 14.6889 53.2135 HAL2 435 0 0 0 9.000000e-02440 438 C7 SLES 1 -5.05202 16.522 52.1376 CTL2 435 439 440 441 - 1.800000e-01441 439 H71 SLES 1 -5.40724 17.5546 51.9092 HAL2 438 0 0 0 9.000000e-02442 440 H72 SLES 1 -3.99043 16.5755 52.4736 HAL2 438 0 0 0 9.000000e-02443 441 C8 SLES 1 -5.17225 15.6571 50.9355 CTL2 438 442 443 444 - 1.800000e-01444 442 H81 SLES 1 -6.26642 15.6333 50.6703 HAL2 441 0 0 0 9.000000e-02445 443 H82 SLES 1 -4.81964 14.6331 51.2476 HAL2 441 0 0 0 9.000000e-02446 444 C9 SLES 1 -4.43878 15.9968 49.6851 CTL2 441 445 446 447 - 1.800000e-01447 445 H91 SLES 1 -4.76109 16.9935 49.3089 HAL2 444 0 0 0 9.000000e-02448 446 H92 SLES 1 -3.34198 16.0119 49.8749 HAL2 444 0 0 0 9.000000e-02449 447 C10 SLES 1 -4.87968 14.8419 48.7883 CTL2 444 448 449 450 - 1.800000e-01450 448 H10 SLES 1 -5.99936 14.8361 48.6958 HAL2 447 0 0 0 9.000000e-02451 449 H10 SLES 1 -4.59055 13.8623 49.2574 HAL2 447 0 0 0 9.000000e-02452 450 C11 SLES 1 -4.314 14.8624 47.4055 CTL2 447 451 452 453 - 1.800000e-01453 451 H11 SLES 1 -4.62101 15.8258 46.9356 HAL2 450 0 0 0 9.000000e-02454 452 H11 SLES 1 -3.20352 14.8465 47.5007 HAL2 450 0 0 0 9.000000e-02455 453 C12 SLES 1 -4.83926 13.6537 46.6257 CTL3 450 454 455 456 - 2.700000e-01456 454 H12 SLES 1 -5.42296 13.9929 45.748 HAL3 453 0 0 0 9.000000e-02457 455 H12 SLES 1 -3.99584 13.0059 46.3167 HAL3 453 0 0 0 9.000000e-02458 456 H12 SLES 1 -5.52352 13.0162 47.2378 HAL3 453 0 0 0 9.000000e-02459 457 NA SLES 1 -17.7264 15.4327 67.643 NA 0 0 0 0 1 .000000e+00460 458 S SLES 1 -19.1428 12.9445 66.6546 SL 459 460 461 462 1.33 0000e+00461 459 OS1 SLES 1 -18.2453 13.3314 65.5528 OSL 458 463 0 0 - 2.800000e-01462 460 OS2 SLES 1 -19.783 14.2407 66.6261 O2L 458 0 0 0 - 6.500000e-01463 461 OS3 SLES 1 -18.0261 12.8328 67.5645 O2L 458 0 0 0 - 6.500000e-01464 462 OS4 SLES 1 -19.8517 11.7732 66.2217 O2L 458 0 0 0 - 6.500000e-01465 463 C2 SLES 1 -18.0608 12.6949 64.3519 CC32A 459 464 465 466 - 1.100000e-01466 464 H2A SLES 1 -19.021 12.652 63.7731 HCA2 463 0 0 0 9.000000e-02467 465 H2B SLES 1 -17.664 11.6564 64.5055 HCA2 463 0 0 0 9.000000e-02468 466 C1 SLES 1 -17.023 13.605 63.6603 CC32A 463 467 468 469 - 1.000000e-02469 467 H1B SLES 1 -17.4191 14.6469 63.5423 HCA2 466 0 0 0 9.000000e-02470 468 H1A SLES 1 -16.0748 13.6472 64.2505 HCA2 466 0 0 0 9.000000e-02471 469 O1 SLES 1 -16.5863 13.2706 62.3829 OC30A 466 470 0 0 - 3.400000e-01472 470 C2 SLES 1 -17.1363 12.117 61.7733 CC32A 469 471 472 473 - 1.000000e-02473 471 H2A SLES 1 -18.2554 12.2176 61.6787 HCA2 470 0 0 0 9.000000e-02474 472 H2B SLES 1 -16.9139 11.2001 62.3676 HCA2 470 0 0 0 9.000000e-02475 473 C1 SLES 1 -16.348 12.5293 60.4773 CC32A 470 474 475 476 - 1.000000e-02476 474 H1B SLES 1 -17.2921 12.619 59.9238 HCA2 473 0 0 0 9.000000e-02477 475 H1A SLES 1 -15.8068 11.5447 60.7223 HCA2 473 0 0 0 9.000000e-02478 476 O1 SLES 1 -15.5324 12.424 59.339 OC30A 473 477 0 0 - 3.400000e-01479 477 C1 SLES 1 -15.8862 11.4711 58.3467 CTL2 476 478 479 480 - 1.800000e-01480 478 H11 SLES 1 -16.9668 11.464 58.0312 HAL2 477 0 0 0 9.000000e-02481 479 H12 SLES 1 -15.6395 10.4363 58.6943 HAL2 477 0 0 0 9.000000e-02482 480 C2 SLES 1 -14.9687 11.941 57.2188 CTL2 477 481 482 483 - 1.800000e-01483 481 H21 SLES 1 -15.2362 12.9481 56.8177 HAL2 480 0 0 0 9.000000e-02484 482 H22 SLES 1 -13.8882 11.9389 57.503 HAL2 480 0 0 0 9.000000e-02485 483 C3 SLES 1 -15.189 10.927 56.1702 CTL2 480 484 485 486 - 1.800000e-01486 484 H31 SLES 1 -16.2875 10.985 55.9395 HAL2 483 0 0 0 9.000000e-02487 485 H32 SLES 1 -14.9056 9.94906 56.6489 HAL2 483 0 0 0 9.000000e-02488 486 C4 SLES 1 -14.4656 10.9917 54.8642 CTL2 483 487 488 489 - 1.800000e-01489 487 H41 SLES 1 -14.6965 11.9391 54.3175 HAL2 486 0 0 0 9.000000e-02490 488 H42 SLES 1 -13.361 10.9369 55.0077 HAL2 486 0 0 0 9.000000e-02491 489 C5 SLES 1 -15.0734 9.73843 54.22 CTL2 486 490 491 492 - 1.800000e-01492 490 H51 SLES 1 -16.1916 9.82381 54.1714 HAL2 489 0 0 0 9.000000e-02493 491 H52 SLES 1 -14.8712 8.8342 54.8524 HAL2 489 0 0 0 9.000000e-02494 492 C6 SLES 1 -14.6267 9.40098 52.8636 CTL2 489 493 494 495 - 1.800000e-01495 493 H61 SLES 1 -15.5547 9.34368 52.2325 HAL2 492 0 0 0 9.000000e-02496 494 H62 SLES 1 -14.2305 8.35137 52.9153 HAL2 492 0 0 0 9.000000e-02497 495 C7 SLES 1 -13.5943 10.3353 52.2211 CTL2 492 496 497 498 - 1.800000e-01498 496 H71 SLES 1 -13.9596 11.3783 52.0687 HAL2 495 0 0 0 9.000000e-02499 497 H72 SLES 1 -12.619 10.3734 52.7598 HAL2 495 0 0 0 9.000000e-02500 498 C8 SLES 1 -13.4377 9.64687 50.9138 CTL2 495 499 500 501 - 1.800000e-01501 499 H81 SLES 1 -14.4598 9.62701 50.4415 HAL2 498 0 0 0 9.000000e-02502 500 H82 SLES 1 -13.0911 8.6003 51.1482 HAL2 498 0 0 0 9.000000e-02503 501 C9 SLES 1 -12.5043 10.1837 49.8854 CTL2 498 502 503 504 - 1.800000e-01504 502 H91 SLES 1 -12.8077 11.2132 49.5908 HAL2 501 0 0 0 9.000000e-02505 503 H92 SLES 1 -11.465 10.2057 50.2836 HAL2 501 0 0 0 9.000000e-02506 504 C10 SLES 1 -12.7025 9.15498 48.7741 CTL2 501 505 506 507 - 1.800000e-01507 505 H10 SLES 1 -13.7829 9.1275 48.4673 HAL2 504 0 0 0 9.000000e-02508 506 H10 SLES 1 -12.4501 8.12801 49.1549 HAL2 504 0 0 0 9.000000e-02509 507 C11 SLES 1 -11.8906 9.38963 47.5419 CTL2 504 508 509 510 - 1.800000e-01510 508 H11 SLES 1 -12.1595 10.4 47.1547 HAL2 507 0 0 0 9.000000e-02511 509 H11 SLES 1 -10.8184 9.3949 47.8467 HAL2 507 0 0 0 9.000000e-02512 510 C12 SLES 1 -12.1902 8.28844 46.5209 CTL3 507 511 512 513 - 2.700000e-01513 511 H12 SLES 1 -12.6182 8.73068 45.6004 HAL3 510 0 0 0 9.000000e-02514 512 H12 SLES 1 -11.268 7.71776 46.2968 HAL3 510 0 0 0 9.000000e-02515 513 H12 SLES 1 -12.9389 7.5493 46.8986 HAL3 510 0 0 0 9.000000e-02516 514 NA SLES 1 -22.2983 1.64418 68.1043 NA 0 0 0 0 1 .000000e+00517 515 S SLES 1 -23.5118 -0.607557 66.4822 SL 516 517 518 519 1.33 0000e+00518 516 OS1 SLES 1 -22.5636 0.0495181 65.5665 OSL 515 520 0 0 - 2.800000e-01519 517 OS2 SLES 1 -24.2159 0.637759 66.6921 O2L 515 0 0 0 - 6.500000e-01520 518 OS3 SLES 1 -22.4548 -0.880562 67.4285 O2L 515 0 0 0 - 6.500000e-01521 519 OS4 SLES 1 -24.1272 -1.67631 65.7467 O2L 515 0 0 0 - 6.500000e-01522 520 C2 SLES 1 -22.2651 -0.293442 64.2725 CC32A 516 521 522 523 - 1.100000e-01523 521 H2A SLES 1 -23.1805 -0.239842 63.6258 HCA2 520 0 0 0 9.000000e-02524 522 H2B SLES 1 -21.8255 -1.32482 64.2223 HCA2 520 0 0 0 9.000000e-02525 523 C1 SLES 1 -21.2324 0.785828 63.8824 CC32A 520 524 525 526 - 1.000000e-02526 524 H1B SLES 1 -21.6739 1.81251 63.968 HCA2 523 0 0 0 9.000000e-02527 525 H1A SLES 1 -20.3297 0.728524 64.539 HCA2 523 0 0 0 9.000000e-02528 526 O1 SLES 1 -20.6935 0.763312 62.6006 OC30A 523 527 0 0 - 3.400000e-01529 527 C2 SLES 1 -21.1396 -0.242648 61.7096 CC32A 526 528 529 530 - 1.000000e-02530 528 H2A SLES 1 -22.2535 -0.164001 61.5531 HCA2 527 0 0 0 9.000000e-02531 529 H2B SLES 1 -20.9098 -1.26114 62.1013 HCA2 527 0 0 0 9.000000e-02532 530 C1 SLES 1 -20.2883 0.478817 60.6024 CC32A 527 531 532 533 - 1.000000e-02533 531 H1B SLES 1 -21.1963 0.65649 60.0111 HCA2 530 0 0 0 9.000000e-02534 532 H1A SLES 1 -19.7139 -0.515444 60.6643 HCA2 530 0 0 0 9.000000e-02535 533 O1 SLES 1 -19.3933 0.661847 59.5359 OC30A 530 534 0 0 - 3.400000e-01536 534 C1 SLES 1 -19.6287 -0.0556061 58.3327 CTL2 533 535 536 537 - 1.800000e-01537 535 H11 SLES 1 -20.6836 -0.0306716 57.9406 HAL2 534 0 0 0 9.000000e-02538 536 H12 SLES 1 -19.3518 -1.13244 58.4603 HAL2 534 0 0 0 9.000000e-02539 537 C2 SLES 1 -18.6631 0.688909 57.4116 CTL2 534 538 539 540 - 1.800000e-01540 538 H21 SLES 1 -18.9555 1.75006 57.2243 HAL2 537 0 0 0 9.000000e-02541 539 H22 SLES 1 -17.6056 0.661981 57.7713 HAL2 537 0 0 0 9.000000e-02542 540 C3 SLES 1 -18.7584 -0.0705721 56.1505 CTL2 537 541 542 543 - 1.800000e-01543 541 H31 SLES 1 -19.8404 -0.00200562 55.8539 HAL2 540 0 0 0 9.000000e-02544 542 H32 SLES 1 -18.4569 -1.1202 56.421 HAL2 540 0 0 0 9.000000e-02545 543 C4 SLES 1 -17.9529 0.312422 54.9515 CTL2 540 544 545 546 - 1.800000e-01546 544 H41 SLES 1 -18.1959 1.34952 54.6122 HAL2 543 0 0 0 9.000000e-02547 545 H42 SLES 1 -16.8591 0.266707 55.1645 HAL2 543 0 0 0 9.000000e-02548 546 C5 SLES 1 -18.449 -0.785032 54.0004 CTL2 543 547 548 549 - 1.800000e-01549 547 H51 SLES 1 -19.5643 -0.731426 53.8853 HAL2 546 0 0 0 9.000000e-02550 548 H52 SLES 1 -18.2426 -1.8004 54.4303 HAL2 546 0 0 0 9.000000e-02551 549 C6 SLES 1 -17.8945 -0.792326 52.6418 CTL2 546 550 551 552 - 1.800000e-01552 550 H61 SLES 1 -18.7736 -0.739757 51.9436 HAL2 549 0 0 0 9.000000e-02553 551 H62 SLES 1 -17.448 -1.81162 52.4901 HAL2 549 0 0 0 9.000000e-02554 552 C7 SLES 1 -16.8717 0.29928 52.3044 CTL2 549 553 554 555 - 1.800000e-01555 553 H71 SLES 1 -17.2803 1.33595 52.3591 HAL2 552 0 0 0 9.000000e-02556 554 H72 SLES 1 -15.9385 0.250531 52.9122 HAL2 552 0 0 0 9.000000e-02557 555 C8 SLES 1 -16.5912 -0.0712677 50.8932 CTL2 552 556 557 558 - 1.800000e-01558 556 H81 SLES 1 -17.5766 -0.0213796 50.3505 HAL2 555 0 0 0 9.000000e-02559 557 H82 SLES 1 -16.2066 -1.13052 50.916 HAL2 555 0 0 0 9.000000e-02560 558 C9 SLES 1 -15.6201 0.716524 50.085 CTL2 555 559 560 561 - 1.800000e-01561 559 H91 SLES 1 -15.9566 1.77424 50.0033 HAL2 558 0 0 0 9.000000e-02562 560 H92 SLES 1 -14.6127 0.685989 50.5576 HAL2 558 0 0 0 9.000000e-02563 561 C10 SLES 1 -15.6884 -0.0423176 48.7614 CTL2 558 562 563 564 - 1.800000e-01564 562 H10 SLES 1 -16.7427 -0.0391775 48.3732 HAL2 561 0 0 0 9.000000e-02565 563 H10 SLES 1 -15.4085 -1.11881 48.9235 HAL2 561 0 0 0 9.000000e-02566 564 C11 SLES 1 -14.8085 0.492708 47.6787 CTL2 561 565 566 567 - 1.800000e-01567 565 H11 SLES 1 -15.1035 1.55386 47.5054 HAL2 564 0 0 0 9.000000e-02568 566 H11 SLES 1 -13.7612 0.468091 48.0593 HAL2 564 0 0 0 9.000000e-02569 567 C12 SLES 1 -14.9802 -0.360704 46.4189 CTL3 564 568 569 570 - 2.700000e-01570 568 H12 SLES 1 -15.3678 0.261463 45.5889 HAL3 567 0 0 0 9.000000e-02571 569 H12 SLES 1 -14.0162 -0.832578 46.1461 HAL3 567 0 0 0 9.000000e-02572 570 H12 SLES 1 -15.7127 -1.19245 46.5641 HAL3 567 0 0 0 9.000000e-02573 571 NA SLES 1 -17.8454 -12.2308 68.3827 NA 0 0 0 0 1 .000000e+00574 572 S SLES 1 -19.0988 -14.1277 66.3813 SL 573 574 575 576 1.33 0000e+00575 573 OS1 SLES 1 -18.2489 -13.235 65.575 OSL 572 577 0 0 - 2.800000e-01576 574 OS2 SLES 1 -19.8291 -12.9987 66.913 O2L 572 0 0 0 - 6.500000e-01577 575 OS3 SLES 1 -17.9624 -14.5476 67.1684 O2L 572 0 0 0 - 6.500000e-01578 576 OS4 SLES 1 -19.7303 -15.0377 65.4676 O2L 572 0 0 0 - 6.500000e-01579 577 C2 SLES 1 -18.0395 -13.2664 64.2199 CC32A 573 578 579 580 - 1.100000e-01580 578 H2A SLES 1 -19.0036 -13.119 63.6652 HCA2 577 0 0 0 9.000000e-02581 579 H2B SLES 1 -17.5681 -14.2364 63.9095 HCA2 577 0 0 0 9.000000e-02582 580 C1 SLES 1 -17.0799 -12.0747 64.0138 CC32A 577 581 582 583 - 1.000000e-02583 581 H1B SLES 1 -17.5503 -11.1172 64.3577 HCA2 580 0 0 0 9.000000e-02584 582 H1A SLES 1 -16.1275 -12.2285 64.5782 HCA2 580 0 0 0 9.000000e-02585 583 O1 SLES 1 -16.6416 -11.7841 62.7263 OC30A 580 584 0 0 - 3.400000e-01586 584 C2 SLES 1 -17.1188 -12.5896 61.6641 CC32A 583 585 586 587 - 1.000000e-02587 585 H2A SLES 1 -18.2436 -12.5369 61.605 HCA2 584 0 0 0 9.000000e-02588 586 H2B SLES 1 -16.8226 -13.656 61.8003 HCA2 584 0 0 0 9.000000e-02589 587 C1 SLES 1 -16.3827 -11.5968 60.6927 CC32A 584 588 589 590 - 1.000000e-02590 588 H1B SLES 1 -17.3396 -11.3406 60.2192 HCA2 587 0 0 0 9.000000e-02591 589 H1A SLES 1 -15.7695 -12.5484 60.4905 HCA2 587 0 0 0 9.000000e-02592 590 O1 SLES 1 -15.5803 -11.1351 59.6368 OC30A 587 591 0 0 - 3.400000e-01593 591 C1 SLES 1 -15.8822 -11.5794 58.3217 CTL2 590 592 593 594 - 1.800000e-01594 592 H11 SLES 1 -16.9646 -11.5237 58.0174 HAL2 591 0 0 0 9.000000e-02595 593 H12 SLES 1 -15.5575 -12.6416 58.1848 HAL2 591 0 0 0 9.000000e-02596 594 C2 SLES 1 -15.0186 -10.5994 57.5287 CTL2 591 595 596 597 - 1.800000e-01597 595 H21 SLES 1 -15.3629 -9.54006 57.605 HAL2 594 0 0 0 9.000000e-02598 596 H22 SLES 1 -13.9361 -10.6497 57.8008 HAL2 594 0 0 0 9.000000e-02599 597 C3 SLES 1 -15.1839 -11.0644 56.1385 CTL2 594 598 599 600 - 1.800000e-01600 598 H31 SLES 1 -16.2874 -10.9889 55.9386 HAL2 597 0 0 0 9.000000e-02601 599 H32 SLES 1 -14.8245 -12.1305 56.1449 HAL2 597 0 0 0 9.000000e-02602 600 C4 SLES 1 -14.4883 -10.3833 55.0048 CTL2 597 601 602 603 - 1.800000e-01603 601 H41 SLES 1 -14.7942 -9.31107 54.9246 HAL2 600 0 0 0 9.000000e-02604 602 H42 SLES 1 -13.3803 -10.4175 55.1276 HAL2 600 0 0 0 9.000000e-02605 603 C5 SLES 1 -15.0166 -11.2672 53.8669 CTL2 600 604 605 606 - 1.800000e-01606 604 H51 SLES 1 -16.1386 -11.2482 53.8423 HAL2 603 0 0 0 9.000000e-02607 605 H52 SLES 1 -14.7408 -12.3403 54.0425 HAL2 603 0 0 0 9.000000e-02608 606 C6 SLES 1 -14.5693 -10.944 52.5072 CTL2 603 607 608 609 - 1.800000e-01609 607 H61 SLES 1 -15.5012 -10.7843 51.8997 HAL2 606 0 0 0 9.000000e-02610 608 H62 SLES 1 -14.0993 -11.8793 52.1003 HAL2 606 0 0 0 9.000000e-02611 609 C7 SLES 1 -13.6159 -9.75244 52.3557 CTL2 606 610 611 612 - 1.800000e-01612 610 H71 SLES 1 -14.0563 -8.77666 52.6697 HAL2 609 0 0 0 9.000000e-02613 611 H72 SLES 1 -12.6372 -9.88551 52.8725 HAL2 609 0 0 0 9.000000e-02614 612 C8 SLES 1 -13.4325 -9.78566 50.8817 CTL2 609 613 614 615 - 1.800000e-01615 613 H81 SLES 1 -14.4582 -9.66865 50.4319 HAL2 612 0 0 0 9.000000e-02616 614 H82 SLES 1 -13.0092 -10.8019 50.6397 HAL2 612 0 0 0 9.000000e-02617 615 C9 SLES 1 -12.5562 -8.78832 50.2077 CTL2 612 616 617 618 - 1.800000e-01618 616 H91 SLES 1 -12.9361 -7.75802 50.3889 HAL2 615 0 0 0 9.000000e-02619 617 H92 SLES 1 -11.5147 -8.86979 50.5922 HAL2 615 0 0 0 9.000000e-02620 618 C10 SLES 1 -12.6994 -9.23739 48.755 CTL2 615 619 620 621 - 1.800000e-01621 619 H10 SLES 1 -13.7801 -9.20379 48.4496 HAL2 618 0 0 0 9.000000e-02622 620 H10 SLES 1 -12.3691 -10.3068 48.6516 HAL2 618 0 0 0 9.000000e-02623 621 C11 SLES 1 -11.9262 -8.43013 47.7636 CTL2 618 622 623 624 - 1.800000e-01624 622 H11 SLES 1 -12.2719 -7.37401 47.8537 HAL2 621 0 0 0 9.000000e-02625 623 H11 SLES 1 -10.8523 -8.48334 48.0573 HAL2 621 0 0 0 9.000000e-02626 624 C12 SLES 1 -12.1641 -8.99088 46.3586 CTL3 621 625 626 627 - 2.700000e-01627 625 H12 SLES 1 -12.6372 -8.2215 45.718 HAL3 624 0 0 0 9.000000e-02628 626 H12 SLES 1 -11.2077 -9.33913 45.9222 HAL3 624 0 0 0 9.000000e-02629 627 H12 SLES 1 -12.8525 -9.87149 46.3621 HAL3 624 0 0 0 9.000000e-02630 628 NA SLES 1 -6.04196 -20.804 68.3717 NA 0 0 0 0 1 .000000e+00631 629 S SLES 1 -7.59849 -22.4853 66.3906 SL 630 631 632 633 1.33 0000e+00632 630 OS1 SLES 1 -6.94843 -21.4453 65.5751 OSL 629 634 0 0 - 2.800000e-01633 631 OS2 SLES 1 -8.2472 -21.4816 67.2045 O2L 629 0 0 0 - 6.500000e-01634 632 OS3 SLES 1 -6.31899 -22.9404 66.8836 O2L 629 0 0 0 - 6.500000e-01635 633 OS4 SLES 1 -8.36592 -23.2999 65.491 O2L 629 0 0 0 - 6.500000e-01636 634 C2 SLES 1 -7.00374 -21.283 64.2143 CC32A 630 635 636 637 - 1.100000e-01637 635 H2A SLES 1 -8.06092 -21.1187 63.8762 HCA2 634 0 0 0 9.000000e-02638 636 H2B SLES 1 -6.57113 -22.1739 63.6864 HCA2 634 0 0 0 9.000000e-02639 637 C1 SLES 1 -6.1395 -20.0211 64.0042 CC32A 634 638 639 640 - 1.000000e-02640 638 H1B SLES 1 -6.56424 -19.147 64.5627 HCA2 637 0 0 0 9.000000e-02641 639 H1A SLES 1 -5.09177 -20.1938 64.353 HCA2 637 0 0 0 9.000000e-02642 640 O1 SLES 1 -5.96728 -19.5361 62.7122 OC30A 637 641 0 0 - 3.400000e-01643 641 C2 SLES 1 -6.61524 -20.2185 61.6542 CC32A 640 642 643 644 - 1.000000e-02644 642 H2A SLES 1 -7.73139 -20.2235 61.8144 HCA2 641 0 0 0 9.000000e-02645 643 H2B SLES 1 -6.26532 -21.2747 61.5795 HCA2 641 0 0 0 9.000000e-02646 644 C1 SLES 1 -6.11177 -19.064 60.7137 CC32A 641 645 646 647 - 1.000000e-02647 645 H1B SLES 1 -7.14962 -18.8023 60.4687 HCA2 644 0 0 0 9.000000e-02648 646 H1A SLES 1 -5.51991 -19.943 60.2672 HCA2 644 0 0 0 9.000000e-02649 647 O1 SLES 1 -5.54317 -18.4197 59.6031 OC30A 644 648 0 0 - 3.400000e-01650 648 C1 SLES 1 -6.07928 -18.7007 58.318 CTL2 647 649 650 651 - 1.800000e-01651 649 H11 SLES 1 -7.20126 -18.6675 58.2324 HAL2 648 0 0 0 9.000000e-02652 650 H12 SLES 1 -5.75423 -19.7146 57.9731 HAL2 648 0 0 0 9.000000e-02653 651 C2 SLES 1 -5.41592 -17.5754 57.5252 CTL2 648 652 653 654 - 1.800000e-01654 652 H21 SLES 1 -5.77178 -16.5574 57.8145 HAL2 651 0 0 0 9.000000e-02655 653 H22 SLES 1 -4.30025 -17.599 57.5804 HAL2 651 0 0 0 9.000000e-02656 654 C3 SLES 1 -5.83194 -17.859 56.1386 CTL2 651 655 656 657 - 1.800000e-01657 655 H31 SLES 1 -6.95508 -17.8212 56.1613 HAL2 654 0 0 0 9.000000e-02658 656 H32 SLES 1 -5.44508 -18.8939 55.9261 HAL2 654 0 0 0 9.000000e-02659 657 C4 SLES 1 -5.38984 -16.9934 55.0036 CTL2 654 658 659 660 - 1.800000e-01660 658 H41 SLES 1 -5.7387 -15.9396 55.1354 HAL2 657 0 0 0 9.000000e-02661 659 H42 SLES 1 -4.27847 -16.9797 54.9112 HAL2 657 0 0 0 9.000000e-02662 660 C5 SLES 1 -6.10012 -17.7462 53.8705 CTL2 657 661 662 663 - 1.800000e-01663 661 H51 SLES 1 -7.20586 -17.7889 54.059 HAL2 660 0 0 0 9.000000e-02664 662 H52 SLES 1 -5.76242 -18.8154 53.8369 HAL2 660 0 0 0 9.000000e-02665 663 C6 SLES 1 -5.93405 -17.2188 52.5112 CTL2 660 664 665 666 - 1.800000e-01666 664 H61 SLES 1 -6.97017 -17.0334 52.1176 HAL2 663 0 0 0 9.000000e-02667 665 H62 SLES 1 -5.52259 -18.0626 51.8948 HAL2 663 0 0 0 9.000000e-02668 666 C7 SLES 1 -5.06541 -15.9647 52.3554 CTL2 663 667 668 669 - 1.800000e-01669 667 H71 SLES 1 -5.46702 -15.0667 52.8817 HAL2 666 0 0 0 9.000000e-02670 668 H72 SLES 1 -4.00164 -16.109 52.656 HAL2 666 0 0 0 9.000000e-02671 669 C8 SLES 1 -5.16906 -15.7898 50.8836 CTL2 666 670 671 672 - 1.800000e-01672 670 H81 SLES 1 -6.26546 -15.6731 50.6547 HAL2 669 0 0 0 9.000000e-02673 671 H82 SLES 1 -4.76906 -16.7384 50.4247 HAL2 669 0 0 0 9.000000e-02674 672 C9 SLES 1 -4.47084 -14.6624 50.2067 CTL2 669 673 674 675 - 1.800000e-01675 673 H91 SLES 1 -4.84048 -13.6893 50.6004 HAL2 672 0 0 0 9.000000e-02676 674 H92 SLES 1 -3.37268 -14.7343 50.3742 HAL2 672 0 0 0 9.000000e-02677 675 C10 SLES 1 -4.87779 -14.9207 48.7575 CTL2 672 676 677 678 - 1.800000e-01678 676 H10 SLES 1 -5.99761 -14.909 48.6673 HAL2 675 0 0 0 9.000000e-02679 677 H10 SLES 1 -4.54049 -15.9458 48.443 HAL2 675 0 0 0 9.000000e-02680 678 C11 SLES 1 -4.33604 -13.9449 47.7641 CTL2 675 679 680 681 - 1.800000e-01681 679 H11 SLES 1 -4.69054 -12.932 48.0667 HAL2 678 0 0 0 9.000000e-02682 680 H11 SLES 1 -3.22446 -13.9748 47.8414 HAL2 678 0 0 0 9.000000e-02683 681 C12 SLES 1 -4.82312 -14.3255 46.3631 CTL3 678 682 683 684 - 2.700000e-01684 682 H12 SLES 1 -5.43465 -13.5059 45.9383 HAL3 681 0 0 0 9.000000e-02685 683 H12 SLES 1 -3.95859 -14.5564 45.7107 HAL3 681 0 0 0 9.000000e-02686 684 H12 SLES 1 -5.47017 -15.2369 46.3699 HAL3 681 0 0 0 9.000000e-02687 685 NA SLES 1 8.52756 -20.748 68.0756 NA 0 0 0 0 1 .000000e+00688 686 S SLES 1 6.62565 -22.5072 66.5065 SL 687 688 689 690 1.33 0000e+00689 687 OS1 SLES 1 7.01922 -21.4437 65.5667 OSL 686 691 0 0 - 2.800000e-01690 688 OS2 SLES 1 6.14225 -21.5291 67.4553 O2L 686 0 0 0 - 6.500000e-01691 689 OS3 SLES 1 8.00405 -22.9025 66.6828 O2L 686 0 0 0 - 6.500000e-01692 690 OS4 SLES 1 5.7054 -23.3598 65.8079 O2L 686 0 0 0 - 6.500000e-01693 691 C2 SLES 1 6.63879 -21.2913 64.2578 CC32A 687 692 693 694 - 1.100000e-01694 692 H2A SLES 1 5.52556 -21.1759 64.1782 HCA2 691 0 0 0 9.000000e-02695 693 H2B SLES 1 6.9745 -22.1649 63.6384 HCA2 691 0 0 0 9.000000e-02696 694 C1 SLES 1 7.37262 -19.9933 63.8573 CC32A 691 695 696 697 - 1.000000e-02697 695 H1B SLES 1 7.05248 -19.136 64.5045 HCA2 694 0 0 0 9.000000e-02698 696 H1A SLES 1 8.47956 -20.1174 63.9494 HCA2 694 0 0 0 9.000000e-02699 697 O1 SLES 1 7.21495 -19.508 62.5636 OC30A 694 698 0 0 - 3.400000e-01700 698 C2 SLES 1 6.36767 -20.2241 61.6837 CC32A 697 699 700 701 - 1.000000e-02701 699 H2A SLES 1 5.32168 -20.2778 62.1014 HCA2 698 0 0 0 9.000000e-02702 700 H2B SLES 1 6.73683 -21.2641 61.5233 HCA2 698 0 0 0 9.000000e-02703 701 C1 SLES 1 6.58445 -19.0533 60.6574 CC32A 698 702 703 704 - 1.000000e-02704 702 H1B SLES 1 5.50751 -18.8393 60.6643 HCA2 701 0 0 0 9.000000e-02705 703 H1A SLES 1 7.09336 -19.9075 60.0797 HCA2 701 0 0 0 9.000000e-02706 704 O1 SLES 1 6.8472 -18.3903 59.4478 OC30A 701 705 0 0 - 3.400000e-01707 705 C1 SLES 1 6.03737 -18.7017 58.323 CTL2 704 706 707 708 - 1.800000e-01708 706 H11 SLES 1 4.92631 -18.7187 58.5034 HAL2 705 0 0 0 9.000000e-02709 707 H12 SLES 1 6.31707 -19.7019 57.9061 HAL2 705 0 0 0 9.000000e-02710 708 C2 SLES 1 6.44539 -17.5522 57.4026 CTL2 705 709 710 711 - 1.800000e-01711 709 H21 SLES 1 6.12254 -16.5495 57.7727 HAL2 708 0 0 0 9.000000e-02712 710 H22 SLES 1 7.54275 -17.526 57.1941 HAL2 708 0 0 0 9.000000e-02713 711 C3 SLES 1 5.72845 -17.8614 56.151 CTL2 708 712 713 714 - 1.800000e-01714 712 H31 SLES 1 4.64149 -17.8734 56.4369 HAL2 711 0 0 0 9.000000e-02715 713 H32 SLES 1 6.10017 -18.8791 55.848 HAL2 711 0 0 0 9.000000e-02716 714 C4 SLES 1 5.8528 -16.983 54.9484 CTL2 711 715 716 717 - 1.800000e-01717 715 H41 SLES 1 5.49818 -15.945 55.164 HAL2 714 0 0 0 9.000000e-02718 716 H42 SLES 1 6.90967 -16.9204 54.5977 HAL2 714 0 0 0 9.000000e-02719 717 C5 SLES 1 4.93049 -17.7726 54.0098 CTL2 714 718 719 720 - 1.800000e-01720 718 H51 SLES 1 3.90294 -17.8633 54.4524 HAL2 717 0 0 0 9.000000e-02721 719 H52 SLES 1 5.29803 -18.8259 53.8923 HAL2 717 0 0 0 9.000000e-02722 720 C6 SLES 1 4.74919 -17.2455 52.6524 CTL2 717 721 722 723 - 1.800000e-01723 721 H61 SLES 1 3.64242 -17.1084 52.514 HAL2 720 0 0 0 9.000000e-02724 722 H62 SLES 1 5.04148 -18.0735 51.9521 HAL2 720 0 0 0 9.000000e-02725 723 C7 SLES 1 5.50038 -15.9549 52.3036 CTL2 720 724 725 726 - 1.800000e-01726 724 H71 SLES 1 5.19408 -15.0729 52.9142 HAL2 723 0 0 0 9.000000e-02727 725 H72 SLES 1 6.6103 -16.0502 52.3452 HAL2 723 0 0 0 9.000000e-02728 726 C8 SLES 1 5.04639 -15.7926 50.8982 CTL2 723 727 728 729 - 1.800000e-01729 727 H81 SLES 1 3.92282 -15.7259 50.9337 HAL2 726 0 0 0 9.000000e-02730 728 H82 SLES 1 5.36918 -16.7249 50.3532 HAL2 726 0 0 0 9.000000e-02731 729 C9 SLES 1 5.51538 -14.6389 50.0823 CTL2 726 730 731 732 - 1.800000e-01732 730 H91 SLES 1 5.20566 -13.6811 50.5569 HAL2 729 0 0 0 9.000000e-02733 731 H92 SLES 1 6.62425 -14.6611 49.9869 HAL2 729 0 0 0 9.000000e-02734 732 C10 SLES 1 4.79141 -14.9227 48.7678 CTL2 729 733 734 735 - 1.800000e-01735 733 H10 SLES 1 3.68235 -14.9612 48.9431 HAL2 732 0 0 0 9.000000e-02736 734 H10 SLES 1 5.09065 -15.9334 48.3775 HAL2 732 0 0 0 9.000000e-02737 735 C11 SLES 1 5.0409 -13.929 47.6802 CTL2 732 736 737 738 - 1.800000e-01738 736 H11 SLES 1 4.72271 -12.9313 48.0628 HAL2 735 0 0 0 9.000000e-02739 737 H11 SLES 1 6.13975 -13.9091 47.4941 HAL2 735 0 0 0 9.000000e-02740 738 C12 SLES 1 4.25589 -14.3383 46.4307 CTL3 735 739 740 741 - 2.700000e-01741 739 H12 SLES 1 3.52592 -13.549 46.1657 HAL3 738 0 0 0 9.000000e-02742 740 H12 SLES 1 4.95244 -14.5341 45.5923 HAL3 738 0 0 0 9.000000e-02743 741 H12 SLES 1 3.66965 -15.2775 46.5843 HAL3 738 0 0 0 9.000000e-02744 742 NA SLES 1 20.2245 -12.1402 67.6075 NA 0 0 0 0 1 .000000e+00745 743 S SLES 1 18.1677 -14.1631 66.6847 SL 744 745 746 747 1.33 0000e+00746 744 OS1 SLES 1 18.3167 -13.2324 65.553 OSL 743 748 0 0 - 2.800000e-01747 745 OS2 SLES 1 17.8144 -13.0754 67.5694 O2L 743 0 0 0 - 6.500000e-01748 746 OS3 SLES 1 19.5752 -14.4862 66.6429 O2L 743 0 0 0 - 6.500000e-01749 747 OS4 SLES 1 17.1839 -15.1347 66.2973 O2L 743 0 0 0 - 6.500000e-01750 748 C2 SLES 1 17.6902 -13.2797 64.3337 CC32A 744 749 750 751 - 1.100000e-01751 749 H2A SLES 1 16.577 -13.2115 64.4559 HCA2 748 0 0 0 9.000000e-02752 750 H2B SLES 1 17.9541 -14.2217 63.7837 HCA2 748 0 0 0 9.000000e-02753 751 C1 SLES 1 18.2601 -12.0297 63.6292 CC32A 748 752 753 754 - 1.000000e-02754 752 H1B SLES 1 18.0176 -11.0994 64.2055 HCA2 751 0 0 0 9.000000e-02755 753 H1A SLES 1 19.3701 -12.105 63.5217 HCA2 751 0 0 0 9.000000e-02756 754 O1 SLES 1 17.8358 -11.7386 62.3372 OC30A 751 755 0 0 - 3.400000e-01757 755 C2 SLES 1 16.8818 -12.5986 61.7413 CC32A 754 756 757 758 - 1.000000e-02758 756 H2A SLES 1 15.9371 -12.6248 62.3565 HCA2 755 0 0 0 9.000000e-02759 757 H2B SLES 1 17.2739 -13.6388 61.6532 HCA2 755 0 0 0 9.000000e-02760 758 C1 SLES 1 16.8351 -11.5796 60.5453 CC32A 755 759 760 761 - 1.000000e-02761 759 H1B SLES 1 15.7679 -11.4004 60.7313 HCA2 758 0 0 0 9.000000e-02762 760 H1A SLES 1 17.2755 -12.4911 59.9998 HCA2 758 0 0 0 9.000000e-02763 761 O1 SLES 1 16.8285 -11.0876 59.2301 OC30A 758 762 0 0 - 3.400000e-01764 762 C1 SLES 1 15.8421 -11.5809 58.3348 CTL2 761 763 764 765 - 1.800000e-01765 763 H11 SLES 1 14.7872 -11.6067 58.7269 HAL2 762 0 0 0 9.000000e-02766 764 H12 SLES 1 16.0962 -12.6211 58.0093 HAL2 762 0 0 0 9.000000e-02767 765 C2 SLES 1 16.0039 -10.5619 57.2076 CTL2 762 766 767 768 - 1.800000e-01768 766 H21 SLES 1 15.6986 -9.52728 57.4956 HAL2 765 0 0 0 9.000000e-02769 767 H22 SLES 1 17.0396 -10.5315 56.7896 HAL2 765 0 0 0 9.000000e-02770 768 C3 SLES 1 15.0848 -11.0682 56.1707 CTL2 765 769 770 771 - 1.800000e-01771 769 H31 SLES 1 14.0729 -11.0732 56.6601 HAL2 768 0 0 0 9.000000e-02772 770 H32 SLES 1 15.4515 -12.1066 55.9406 HAL2 768 0 0 0 9.000000e-02773 771 C4 SLES 1 14.9314 -10.3664 54.8604 CTL2 768 772 773 774 - 1.800000e-01774 772 H41 SLES 1 14.564 -9.31984 54.9996 HAL2 771 0 0 0 9.000000e-02775 773 H42 SLES 1 15.8987 -10.3215 54.3071 HAL2 771 0 0 0 9.000000e-02776 774 C5 SLES 1 13.8971 -11.3098 54.2316 CTL2 771 775 776 777 - 1.800000e-01777 775 H51 SLES 1 12.9773 -11.3686 54.8724 HAL2 774 0 0 0 9.000000e-02778 776 H52 SLES 1 14.2963 -12.3572 54.1873 HAL2 774 0 0 0 9.000000e-02779 777 C6 SLES 1 13.4352 -10.9872 52.8767 CTL2 774 778 779 780 - 1.800000e-01780 778 H61 SLES 1 12.3161 -10.9056 52.9376 HAL2 777 0 0 0 9.000000e-02781 779 H62 SLES 1 13.6388 -11.8969 52.2504 HAL2 777 0 0 0 9.000000e-02782 780 C7 SLES 1 14.0323 -9.73658 52.2201 CTL2 777 781 782 783 - 1.800000e-01783 781 H71 SLES 1 13.795 -8.78661 52.7548 HAL2 780 0 0 0 9.000000e-02784 782 H72 SLES 1 15.134 -9.79039 52.059 HAL2 780 0 0 0 9.000000e-02785 783 C8 SLES 1 13.3151 -9.79013 50.92 CTL2 780 784 785 786 - 1.800000e-01786 784 H81 SLES 1 12.216 -9.75406 51.1625 HAL2 783 0 0 0 9.000000e-02787 785 H82 SLES 1 13.5836 -10.78 50.4525 HAL2 783 0 0 0 9.000000e-02788 786 C9 SLES 1 13.556 -8.75024 49.882 CTL2 783 787 788 789 - 1.800000e-01789 787 H91 SLES 1 13.2856 -7.7447 50.2751 HAL2 786 0 0 0 9.000000e-02790 788 H92 SLES 1 14.6269 -8.75123 49.5782 HAL2 786 0 0 0 9.000000e-02791 789 C10 SLES 1 12.6168 -9.24054 48.782 CTL2 786 790 791 792 - 1.800000e-01792 790 H10 SLES 1 11.5641 -9.28821 49.1717 HAL2 789 0 0 0 9.000000e-02793 791 H10 SLES 1 12.8956 -10.2867 48.48 HAL2 789 0 0 0 9.000000e-02794 792 C11 SLES 1 12.6009 -8.40443 47.5437 CTL2 789 793 794 795 - 1.800000e-01795 793 H11 SLES 1 12.3027 -7.37283 47.8437 HAL2 792 0 0 0 9.000000e-02796 794 H11 SLES 1 13.6426 -8.37704 47.1481 HAL2 792 0 0 0 9.000000e-02797 795 C12 SLES 1 11.6212 -9.01156 46.5355 CTL3 792 796 797 798 - 2.700000e-01798 796 H12 SLES 1 10.8102 -8.2911 46.3133 HAL3 795 0 0 0 9.000000e-02799 797 H12 SLES 1 12.1589 -9.30289 45.6123 HAL3 795 0 0 0 9.000000e-02800 798 H12 SLES 1 11.1292 -9.93714 46.9236 HAL3 795 0 0 0 9.000000e-02801 799 NA SLES 1 38.3046 1.64418 58.8631 NA 0 0 0 0 1 .000000e+00802 800 S SLES 1 36.2931 -0.607557 59.1029 SL 801 802 803 804 1.33 0000e+00803 801 OS1 SLES 1 35.9742 0.0495181 57.8239 OSL 800 805 0 0 - 2.800000e-01804 802 OS2 SLES 1 36.1228 0.637759 59.8176 O2L 800 0 0 0 - 6.500000e-01805 803 OS3 SLES 1 37.6411 -0.880562 58.6607 O2L 800 0 0 0 - 6.500000e-01806 804 OS4 SLES 1 35.3484 -1.67631 59.2682 O2L 800 0 0 0 - 6.500000e-01807 805 C2 SLES 1 35.0028 -0.293442 56.9184 CC32A 801 806 807 808 - 1.100000e-01808 806 H2A SLES 1 33.9851 -0.239842 57.3878 HCA2 805 0 0 0 9.000000e-02809 807 H2B SLES 1 35.1791 -1.32482 56.5126 HCA2 805 0 0 0 9.000000e-02810 808 C1 SLES 1 35.1813 0.785828 55.829 CC32A 805 809 810 811 - 1.000000e-02811 809 H1B SLES 1 35.0347 1.81251 56.2542 HCA2 808 0 0 0 9.000000e-02812 810 H1A SLES 1 36.2013 0.728524 55.3756 HCA2 808 0 0 0 9.000000e-02813 811 O1 SLES 1 34.3407 0.763312 54.7214 OC30A 808 812 0 0 - 3.400000e-01814 812 C2 SLES 1 33.346 -0.242648 54.6622 CC32A 811 813 814 815 - 1.000000e-02815 813 H2A SLES 1 32.6536 -0.164001 55.5486 HCA2 812 0 0 0 9.000000e-02816 814 H2B SLES 1 33.8001 -1.26114 54.6591 HCA2 812 0 0 0 9.000000e-02817 815 C1 SLES 1 32.8128 0.478817 53.3714 CC32A 812 816 817 818 - 1.000000e-02818 816 H1B SLES 1 31.8467 0.65649 53.862 HCA2 815 0 0 0 9.000000e-02819 817 H1A SLES 1 33.1536 -0.515444 52.9049 HCA2 815 0 0 0 9.000000e-02820 818 O1 SLES 1 32.3367 0.661847 52.0631 OC30A 815 819 0 0 - 3.400000e-01821 819 C1 SLES 1 31.1769 -0.0556061 51.6653 CTL2 818 820 821 822 - 1.800000e-01822 820 H11 SLES 1 30.3099 -0.0306716 52.3828 HAL2 819 0 0 0 9.000000e-02823 821 H12 SLES 1 31.4259 -1.13244 51.4893 HAL2 819 0 0 0 9.000000e-02824 822 C2 SLES 1 30.8621 0.688909 50.3685 CTL2 819 823 824 825 - 1.800000e-01825 823 H21 SLES 1 30.5537 1.75006 50.5281 HAL2 822 0 0 0 9.000000e-02826 824 H22 SLES 1 31.7023 0.661981 49.6326 HAL2 822 0 0 0 9.000000e-02827 825 C3 SLES 1 29.7223 -0.0705721 49.8205 CTL2 822 826 827 828 - 1.800000e-01828 826 H31 SLES 1 28.9244 -0.00200562 50.6092 HAL2 825 0 0 0 9.000000e-02829 827 H32 SLES 1 30.1073 -1.1202 49.6946 HAL2 825 0 0 0 9.000000e-02830 828 C4 SLES 1 29.0867 0.312422 48.5235 CTL2 825 829 830 831 - 1.800000e-01831 829 H41 SLES 1 28.6713 1.34952 48.5642 HAL2 828 0 0 0 9.000000e-02832 830 H42 SLES 1 29.818 0.266707 47.6827 HAL2 828 0 0 0 9.000000e-02833 831 C5 SLES 1 28.015 -0.785032 48.4775 CTL2 828 832 833 834 - 1.800000e-01834 832 H51 SLES 1 27.3576 -0.731426 49.3858 HAL2 831 0 0 0 9.000000e-02835 833 H52 SLES 1 28.4905 -1.8004 48.5137 HAL2 831 0 0 0 9.000000e-02836 834 C6 SLES 1 27.1156 -0.792326 47.318 CTL2 831 835 836 837 - 1.800000e-01837 835 H61 SLES 1 26.0715 -0.739757 47.7302 HAL2 834 0 0 0 9.000000e-02838 836 H62 SLES 1 27.2075 -1.81162 46.8555 HAL2 834 0 0 0 9.000000e-02839 837 C7 SLES 1 27.3348 0.29928 46.2636 CTL2 834 838 839 840 - 1.800000e-01840 838 H71 SLES 1 27.1779 1.33595 46.6447 HAL2 837 0 0 0 9.000000e-02841 839 H72 SLES 1 28.3278 0.250531 45.7592 HAL2 837 0 0 0 9.000000e-02842 840 C8 SLES 1 26.253 -0.0712677 45.315 CTL2 837 841 842 843 - 1.800000e-01843 841 H81 SLES 1 25.2902 -0.0213796 45.897 HAL2 840 0 0 0 9.000000e-02844 842 H82 SLES 1 26.465 -1.13052 44.9934 HAL2 840 0 0 0 9.000000e-02845 843 C9 SLES 1 26.0386 0.716524 44.0699 CTL2 840 844 845 846 - 1.800000e-01846 844 H91 SLES 1 25.7995 1.77424 44.3205 HAL2 843 0 0 0 9.000000e-02847 845 H92 SLES 1 26.9516 0.685989 43.4338 HAL2 843 0 0 0 9.000000e-02848 846 C10 SLES 1 24.8581 -0.0423176 43.4672 CTL2 843 847 848 849 - 1.800000e-01849 847 H10 SLES 1 23.9948 -0.0391775 44.1862 HAL2 846 0 0 0 9.000000e-02850 848 H10 SLES 1 25.1385 -1.11881 43.3059 HAL2 846 0 0 0 9.000000e-02851 849 C11 SLES 1 24.3604 0.492708 42.1639 CTL2 846 850 851 852 - 1.800000e-01852 850 H11 SLES 1 24.0629 1.55386 42.3327 HAL2 849 0 0 0 9.000000e-02853 851 H11 SLES 1 25.2137 0.468091 41.4472 HAL2 849 0 0 0 9.000000e-02854 852 C12 SLES 1 23.1835 -0.360704 41.6827 CTL3 849 853 854 855 - 2.700000e-01855 853 H12 SLES 1 22.271 0.261463 41.6033 HAL3 852 0 0 0 9.000000e-02856 854 H12 SLES 1 23.4293 -0.832578 40.7114 HAL3 852 0 0 0 9.000000e-02857 855 H12 SLES 1 22.943 -1.19245 42.3896 HAL3 852 0 0 0 9.000000e-02858 856 NA SLES 1 34.9954 16.6678 58.5219 NA 0 0 0 0 1 .000000e+00859 857 S SLES 1 33.1516 14.3707 59.2276 SL 858 859 860 861 1.33 0000e+00860 858 OS1 SLES 1 32.8639 14.6656 57.8135 OSL 857 862 0 0 - 2.800000e-01861 859 OS2 SLES 1 32.8419 15.7319 59.6039 O2L 857 0 0 0 - 6.500000e-01862 860 OS3 SLES 1 34.5417 14.1205 58.9234 O2L 857 0 0 0 - 6.500000e-01863 861 OS4 SLES 1 32.2834 13.2938 59.6127 O2L 857 0 0 0 - 6.500000e-01864 862 C2 SLES 1 31.9803 14.0269 56.9814 CC32A 858 863 864 865 - 1.100000e-01865 863 H2A SLES 1 30.9341 14.1014 57.38 HCA2 862 0 0 0 9.000000e-02866 864 H2B SLES 1 32.2603 12.9479 56.8513 HCA2 862 0 0 0 9.000000e-02867 865 C1 SLES 1 32.1433 14.8204 55.6671 CC32A 862 866 867 868 - 1.000000e-02868 866 H1B SLES 1 31.8919 15.9022 55.8183 HCA2 865 0 0 0 9.000000e-02869 867 H1A SLES 1 33.191 14.7464 55.285 HCA2 865 0 0 0 9.000000e-02870 868 O1 SLES 1 31.3777 14.4538 54.5654 OC30A 865 869 0 0 - 3.400000e-01871 869 C2 SLES 1 30.4689 13.3785 54.7157 CC32A 868 870 871 872 - 1.000000e-02872 870 H2A SLES 1 29.7184 13.6078 55.5254 HCA2 869 0 0 0 9.000000e-02873 871 H2B SLES 1 30.9992 12.4349 54.9838 HCA2 869 0 0 0 9.000000e-02874 872 C1 SLES 1 29.9637 13.7135 53.2654 CC32A 869 873 874 875 - 1.000000e-02875 873 H1B SLES 1 28.958 13.9177 53.656 HCA2 872 0 0 0 9.000000e-02876 874 H1A SLES 1 30.4084 12.6704 53.0742 HCA2 872 0 0 0 9.000000e-02877 875 O1 SLES 1 29.5577 13.5294 51.9338 OC30A 872 876 0 0 - 3.400000e-01878 876 C1 SLES 1 28.4837 12.6355 51.6779 CTL2 875 877 878 879 - 1.800000e-01879 877 H11 SLES 1 27.5741 12.7562 52.3301 HAL2 876 0 0 0 9.000000e-02880 878 H12 SLES 1 28.825 11.5751 51.7846 HAL2 876 0 0 0 9.000000e-02881 879 C2 SLES 1 28.1943 13.011 50.2252 CTL2 876 880 881 882 - 1.800000e-01882 880 H21 SLES 1 27.7959 14.047 50.1041 HAL2 879 0 0 0 9.000000e-02883 881 H22 SLES 1 29.0785 12.8815 49.5546 HAL2 879 0 0 0 9.000000e-02884 882 C3 SLES 1 27.1527 12.0418 49.8352 CTL2 879 883 884 885 - 1.800000e-01885 883 H31 SLES 1 26.3042 12.2282 50.5484 HAL2 882 0 0 0 9.000000e-02886 884 H32 SLES 1 27.6243 11.032 49.9894 HAL2 882 0 0 0 9.000000e-02887 885 C4 SLES 1 26.572 12.0392 48.4584 CTL2 882 886 887 888 - 1.800000e-01888 886 H41 SLES 1 26.0765 13.0135 48.2237 HAL2 885 0 0 0 9.000000e-02889 887 H42 SLES 1 27.3559 11.8563 47.6864 HAL2 885 0 0 0 9.000000e-02890 888 C5 SLES 1 25.5927 10.8718 48.6409 CTL2 885 889 890 891 - 1.800000e-01891 889 H51 SLES 1 24.8776 11.0855 49.4794 HAL2 888 0 0 0 9.000000e-02892 890 H52 SLES 1 26.1416 9.94271 48.9472 HAL2 888 0 0 0 9.000000e-02893 891 C6 SLES 1 24.7708 10.5021 47.4828 CTL2 888 892 893 894 - 1.800000e-01894 892 H61 SLES 1 23.702 10.5593 47.8252 HAL2 891 0 0 0 9.000000e-02895 893 H62 SLES 1 24.9694 9.41338 47.2913 HAL2 891 0 0 0 9.000000e-02896 894 C7 SLES 1 24.9711 11.3196 46.201 CTL2 891 895 896 897 - 1.800000e-01897 895 H71 SLES 1 24.7115 12.3994 46.3067 HAL2 894 0 0 0 9.000000e-02898 896 H72 SLES 1 25.9945 11.2391 45.7663 HAL2 894 0 0 0 9.000000e-02899 897 C8 SLES 1 23.9824 10.6339 45.3294 CTL2 894 898 899 900 - 1.800000e-01900 898 H81 SLES 1 22.9841 10.7371 45.8402 HAL2 897 0 0 0 9.000000e-02901 899 H82 SLES 1 24.2949 9.55167 45.2892 HAL2 897 0 0 0 9.000000e-02902 900 C9 SLES 1 23.7865 11.0727 43.9202 CTL2 897 901 902 903 - 1.800000e-01903 901 H91 SLES 1 23.4517 12.1337 43.8908 HAL2 900 0 0 0 9.000000e-02904 902 H92 SLES 1 24.7371 10.9705 43.3501 HAL2 900 0 0 0 9.000000e-02905 903 C10 SLES 1 22.7078 10.0872 43.4754 CTL2 900 904 905 906 - 1.800000e-01906 904 H10 SLES 1 21.8035 10.1876 44.1345 HAL2 903 0 0 0 9.000000e-02907 905 H10 SLES 1 23.0795 9.03348 43.5975 HAL2 903 0 0 0 9.000000e-02908 906 C11 SLES 1 22.253 10.2423 42.0606 CTL2 903 907 908 909 - 1.800000e-01909 907 H11 SLES 1 21.8649 11.2815 41.9488 HAL2 906 0 0 0 9.000000e-02910 908 H11 SLES 1 23.1488 10.1209 41.4086 HAL2 906 0 0 0 9.000000e-02911 909 C12 SLES 1 21.1776 9.19535 41.757 CTL3 906 910 911 912 - 2.700000e-01912 910 H12 SLES 1 20.2267 9.69499 41.488 HAL3 909 0 0 0 9.000000e-02913 911 H12 SLES 1 21.5191 8.52548 40.9439 HAL3 909 0 0 0 9.000000e-02914 912 H12 SLES 1 20.9579 8.54234 42.6371 HAL3 909 0 0 0 9.000000e-02915 913 NA SLES 1 25.9333 29.0557 58.3714 NA 0 0 0 0 1 .000000e+00916 914 S SLES 1 24.1627 26.772 59.2791 SL 915 916 917 918 1.33 0000e+00917 915 OS1 SLES 1 24.0798 26.7532 57.8087 OSL 914 919 0 0 - 2.800000e-01918 916 OS2 SLES 1 23.706 28.1434 59.3156 O2L 914 0 0 0 - 6.500000e-01919 917 OS3 SLES 1 25.5969 26.6051 59.23 O2L 914 0 0 0 - 6.500000e-01920 918 OS4 SLES 1 23.3203 25.7117 59.7566 O2L 914 0 0 0 - 6.500000e-01921 919 C2 SLES 1 23.3823 25.8794 57.0142 CC32A 915 920 921 922 - 1.100000e-01922 920 H2A SLES 1 22.2842 25.9274 57.2391 HCA2 919 0 0 0 9.000000e-02923 921 H2B SLES 1 23.7521 24.8289 57.1529 HCA2 919 0 0 0 9.000000e-02924 922 C1 SLES 1 23.6941 26.411 55.5986 CC32A 919 923 924 925 - 1.000000e-02925 923 H1B SLES 1 23.3492 27.4713 55.4837 HCA2 922 0 0 0 9.000000e-02926 924 H1A SLES 1 24.7912 26.3669 55.3897 HCA2 922 0 0 0 9.000000e-02927 925 O1 SLES 1 23.1366 25.7612 54.5026 OC30A 922 926 0 0 - 3.400000e-01928 926 C2 SLES 1 22.2908 24.6523 54.7468 CC32A 925 927 928 929 - 1.000000e-02929 927 H2A SLES 1 21.4093 24.9613 55.3784 HCA2 926 0 0 0 9.000000e-02930 928 H2B SLES 1 22.8357 23.8368 55.2774 HCA2 926 0 0 0 9.000000e-02931 929 C1 SLES 1 21.9965 24.644 53.2027 CC32A 926 930 931 932 - 1.000000e-02932 930 H1B SLES 1 20.9307 24.8209 53.3985 HCA2 929 0 0 0 9.000000e-02933 931 H1A SLES 1 22.5355 23.6327 53.2977 HCA2 929 0 0 0 9.000000e-02934 932 O1 SLES 1 21.8168 24.1624 51.8959 OC30A 929 933 0 0 - 3.400000e-01935 933 C1 SLES 1 20.8592 23.1343 51.6862 CTL2 932 934 935 936 - 1.800000e-01936 934 H11 SLES 1 19.8529 23.2908 52.1659 HAL2 933 0 0 0 9.000000e-02937 935 H12 SLES 1 21.2511 22.1545 52.0587 HAL2 933 0 0 0 9.000000e-02938 936 C2 SLES 1 20.7753 23.1863 50.1613 CTL2 933 937 938 939 - 1.800000e-01939 937 H21 SLES 1 20.3311 24.1338 49.772 HAL2 936 0 0 0 9.000000e-02940 938 H22 SLES 1 21.76 23.0152 49.662 HAL2 936 0 0 0 9.000000e-02941 939 C3 SLES 1 19.8757 22.0616 49.8419 CTL2 936 940 941 942 - 1.800000e-01942 940 H31 SLES 1 18.9156 22.3 50.3754 HAL2 939 0 0 0 9.000000e-02943 941 H32 SLES 1 20.3851 21.1533 50.2679 HAL2 939 0 0 0 9.000000e-02944 942 C4 SLES 1 19.5185 21.7309 48.4291 CTL2 939 943 944 945 - 1.800000e-01945 943 H41 SLES 1 19.0006 22.5863 47.9293 HAL2 942 0 0 0 9.000000e-02946 944 H42 SLES 1 20.4239 21.4779 47.829 HAL2 942 0 0 0 9.000000e-02947 945 C5 SLES 1 18.6045 20.5316 48.714 CTL2 942 946 947 948 - 1.800000e-01948 946 H51 SLES 1 17.7544 20.8344 49.3816 HAL2 945 0 0 0 9.000000e-02949 947 H52 SLES 1 19.1608 19.7396 49.2811 HAL2 945 0 0 0 9.000000e-02950 948 C6 SLES 1 18.0005 19.8621 47.5563 CTL2 945 949 950 951 - 1.800000e-01951 949 H61 SLES 1 16.89 19.8799 47.7273 HAL2 948 0 0 0 9.000000e-02952 950 H62 SLES 1 18.3002 18.782 47.6263 HAL2 948 0 0 0 9.000000e-02953 951 C7 SLES 1 18.3423 20.4272 46.1723 CTL2 948 952 953 954 - 1.800000e-01954 952 H71 SLES 1 17.9965 21.4758 46.0127 HAL2 951 0 0 0 9.000000e-02955 953 H72 SLES 1 19.4241 20.364 45.9105 HAL2 951 0 0 0 9.000000e-02956 954 C8 SLES 1 17.5507 19.4894 45.3348 CTL2 951 955 956 957 - 1.800000e-01957 955 H81 SLES 1 16.4803 19.5922 45.669 HAL2 954 0 0 0 9.000000e-02958 956 H82 SLES 1 17.9385 18.4566 45.5657 HAL2 954 0 0 0 9.000000e-02959 957 C9 SLES 1 17.5477 19.6209 43.8517 CTL2 954 958 959 960 - 1.800000e-01960 958 H91 SLES 1 17.1502 20.6172 43.5549 HAL2 957 0 0 0 9.000000e-02961 959 H92 SLES 1 18.5804 19.5028 43.4533 HAL2 957 0 0 0 9.000000e-02962 960 C10 SLES 1 16.6213 18.4658 43.4776 CTL2 957 961 962 963 - 1.800000e-01963 961 H10 SLES 1 15.6205 18.6043 43.969 HAL2 960 0 0 0 9.000000e-02964 962 H10 SLES 1 17.0402 17.4986 43.8679 HAL2 960 0 0 0 9.000000e-02965 963 C11 SLES 1 16.3834 18.294 42.0125 CTL2 960 964 965 966 - 1.800000e-01966 964 H11 SLES 1 15.9476 19.2475 41.633 HAL2 963 0 0 0 9.000000e-02967 965 H11 SLES 1 17.3762 18.1355 41.5312 HAL2 963 0 0 0 9.000000e-02968 966 C12 SLES 1 15.4423 17.107 41.7883 CTL3 963 967 968 969 - 2.700000e-01969 967 H12 SLES 1 14.5133 17.4478 41.2914 HAL3 966 0 0 0 9.000000e-02970 968 H12 SLES 1 15.9513 16.3272 41.1889 HAL3 966 0 0 0 9.000000e-02971 969 H12 SLES 1 15.1329 16.6215 42.7464 HAL3 966 0 0 0 9.000000e-02972 970 NA SLES 1 12.6572 36.7461 58.4378 NA 0 0 0 0 1 .000000e+00973 971 S SLES 1 10.8919 34.4222 59.2486 SL 972 973 974 975 1.33 0000e+00974 972 OS1 SLES 1 11.1398 34.2247 57.8102 OSL 971 976 0 0 - 2.800000e-01975 973 OS2 SLES 1 10.3445 35.7377 59.0024 O2L 971 0 0 0 - 6.500000e-01976 974 OS3 SLES 1 12.3091 34.3909 59.5275 O2L 971 0 0 0 - 6.500000e-01977 975 OS4 SLES 1 10.04 33.3478 59.675 O2L 971 0 0 0 - 6.500000e-01978 976 C2 SLES 1 10.6991 33.2009 57.011 CC32A 972 977 978 979 - 1.100000e-01979 977 H2A SLES 1 9.57782 33.1678 56.9896 HCA2 976 0 0 0 9.000000e-02980 978 H2B SLES 1 11.1008 32.2145 57.3651 HCA2 976 0 0 0 9.000000e-02981 979 C1 SLES 1 11.2805 33.5921 55.6353 CC32A 976 980 981 982 - 1.000000e-02982 980 H1B SLES 1 10.897 34.5932 55.3082 HCA2 979 0 0 0 9.000000e-02983 981 H1A SLES 1 12.3969 33.6308 55.6715 HCA2 979 0 0 0 9.000000e-02984 982 O1 SLES 1 11.0274 32.7682 54.5438 OC30A 979 983 0 0 - 3.400000e-01985 983 C2 SLES 1 10.2276 31.6183 54.7502 CC32A 982 984 985 986 - 1.000000e-02986 984 H2A SLES 1 9.20829 31.9115 55.1331 HCA2 983 0 0 0 9.000000e-02987 985 H2B SLES 1 10.696 30.9268 55.4891 HCA2 983 0 0 0 9.000000e-02988 986 C1 SLES 1 10.2856 31.4021 53.1943 CC32A 983 987 988 989 - 1.000000e-02989 987 H1B SLES 1 9.19332 31.4961 53.134 HCA2 986 0 0 0 9.000000e-02990 988 H1A SLES 1 10.8589 30.4658 53.5366 HCA2 986 0 0 0 9.000000e-02991 989 O1 SLES 1 10.4352 30.7567 51.9562 OC30A 986 990 0 0 - 3.400000e-01992 990 C1 SLES 1 9.62207 29.623 51.6886 CTL2 989 991 992 993 - 1.800000e-01993 991 H11 SLES 1 8.52585 29.7356 51.9186 HAL2 990 0 0 0 9.000000e-02994 992 H12 SLES 1 9.98829 28.7359 52.2642 HAL2 990 0 0 0 9.000000e-02995 993 C2 SLES 1 9.87623 29.489 50.1878 CTL2 990 994 995 996 - 1.800000e-01996 994 H21 SLES 1 9.46518 30.3372 49.5892 HAL2 993 0 0 0 9.000000e-02997 995 H22 SLES 1 10.9569 29.3575 49.9363 HAL2 993 0 0 0 9.000000e-02998 996 C3 SLES 1 9.15067 28.2527 49.8394 CTL2 993 997 998 999 - 1.800000e-01999 997 H31 SLES 1 8.08167 28.4571 50.1202 HAL2 996 0 0 0 9.000000e-021000 998 H32 SLES 1 9.61425 27.454 50.482 HAL2 996 0 0 0 9.000000e-021001 999 C4 SLES 1 9.14071 27.727 48.4407 CTL2 996 1000 1001 1002 - 1.800000e-011002 1000 H41 SLES 1 8.68891 28.4641 47.7319 HAL2 999 0 0 0 9.000000e-021003 1001 H42 SLES 1 10.1723 27.4951 48.0857 HAL2 999 0 0 0 9.000000e-021004 1002 C5 SLES 1 8.27173 26.4858 48.6842 CTL2 999 1003 1004 1005 - 1.800000e-011005 1003 H51 SLES 1 7.27549 26.7801 49.1095 HAL2 1002 0 0 0 9.000000e-021006 1004 H52 SLES 1 8.74145 25.8229 49.4577 HAL2 1002 0 0 0 9.000000e-021007 1005 C6 SLES 1 7.98861 25.6307 47.5257 CTL2 1002 1006 1007 1008 - 1.800000e-011008 1006 H61 SLES 1 6.86937 25.5604 47.4535 HAL2 1005 0 0 0 9.000000e-021009 1007 H62 SLES 1 8.33946 24.6004 47.8024 HAL2 1005 0 0 0 9.000000e-021010 1008 C7 SLES 1 8.5898 26.0617 46.1824 CTL2 1005 1009 1010 1011 - 1.800000e-011011 1009 H71 SLES 1 8.21624 27.046 45.8134 HAL2 1008 0 0 0 9.000000e-021012 1010 H72 SLES 1 9.7044 26.0739 46.1669 HAL2 1008 0 0 0 9.000000e-021013 1011 C8 SLES 1 8.07152 24.9605 45.3303 CTL2 1008 1012 1013 1014 - 1.800000e-011014 1012 H81 SLES 1 6.94905 24.9969 45.4131 HAL2 1011 0 0 0 9.000000e-021015 1013 H82 SLES 1 8.46898 24.0041 45.775 HAL2 1011 0 0 0 9.000000e-021016 1014 C9 SLES 1 8.38958 24.9178 43.8764 CTL2 1011 1015 1016 1017 - 1.800000e-011017 1015 H91 SLES 1 7.99995 25.8295 43.3706 HAL2 1014 0 0 0 9.000000e-021018 1016 H92 SLES 1 9.49071 24.8551 43.7255 HAL2 1014 0 0 0 9.000000e-021019 1017 C10 SLES 1 7.65217 23.6425 43.4734 CTL2 1014 1018 1019 1020 - 1.800000e-011020 1018 H10 SLES 1 6.55998 23.7392 43.7184 HAL2 1017 0 0 0 9.000000e-021021 1019 H10 SLES 1 8.03986 22.7725 44.0702 HAL2 1017 0 0 0 9.000000e-021022 1020 C11 SLES 1 7.75882 23.2793 42.028 CTL2 1017 1021 1022 1023 - 1.800000e-011023 1021 H11 SLES 1 7.35338 24.1354 41.4399 HAL2 1020 0 0 0 9.000000e-021024 1022 H11 SLES 1 8.84241 23.1632 41.7938 HAL2 1020 0 0 0 9.000000e-021025 1023 C12 SLES 1 6.976 21.9885 41.7713 CTL3 1020 1024 1025 1026 - 2.700000e-011026 1024 H12 SLES 1 6.15954 22.1773 41.0476 HAL3 1023 0 0 0 9.000000e-021027 1025 H12 SLES 1 7.65858 21.1975 41.404 HAL3 1023 0 0 0 9.000000e-021028 1026 H12 SLES 1 6.49557 21.5899 42.6985 HAL3 1023 0 0 0 9.000000e-021029 1027 NA SLES 1 -2.61571 38.4421 58.7094 NA 0 0 0 0 1 .000000e+001030 1028 S SLES 1 -4.33622 35.9869 59.1413 SL 1029 1030 1031 1032 1.33 0000e+001031 1029 OS1 SLES 1 -3.72073 35.7891 57.8179 OSL 1028 1033 0 0 - 2.800000e-011032 1030 OS2 SLES 1 -4.90786 37.246 58.7187 O2L 1028 0 0 0 - 6.500000e-011033 1031 OS3 SLES 1 -3.03632 36.0829 59.7645 O2L 1028 0 0 0 - 6.500000e-011034 1032 OS4 SLES 1 -5.17903 34.8496 59.382 O2L 1028 0 0 0 - 6.500000e-011035 1033 C2 SLES 1 -3.86373 34.7186 56.9725 CC32A 1029 1034 1035 1036 - 1.100000e-011036 1034 H2A SLES 1 -4.93754 34.5882 56.6744 HCA2 1033 0 0 0 9.000000e-021037 1035 H2B SLES 1 -3.48613 33.7764 57.4513 HCA2 1033 0 0 0 9.000000e-021038 1036 C1 SLES 1 -2.9894 35.1371 55.7708 CC32A 1033 1037 1038 1039 - 1.000000e-021039 1037 H1B SLES 1 -3.35744 36.0961 55.3222 HCA2 1036 0 0 0 9.000000e-021040 1038 H1A SLES 1 -1.92447 35.273 56.0818 HCA2 1036 0 0 0 9.000000e-021041 1039 O1 SLES 1 -2.89409 34.2775 54.6818 OC30A 1036 1040 0 0 - 3.400000e-011042 1040 C2 SLES 1 -3.62557 33.066 54.7252 CC32A 1039 1041 1042 1043 - 1.000000e-021043 1041 H2A SLES 1 -4.72833 33.2757 54.8319 HCA2 1040 0 0 0 9.000000e-021044 1042 H2B SLES 1 -3.30353 32.4293 55.5823 HCA2 1040 0 0 0 9.000000e-021045 1043 C1 SLES 1 -3.16231 32.8313 53.2416 CC32A 1040 1044 1045 1046 - 1.000000e-021046 1044 H1B SLES 1 -4.20857 32.8293 52.9085 HCA2 1043 0 0 0 9.000000e-021047 1045 H1A SLES 1 -2.62016 31.9537 53.7498 HCA2 1043 0 0 0 9.000000e-021048 1046 O1 SLES 1 -2.65611 32.182 52.104 OC30A 1043 1047 0 0 - 3.400000e-011049 1047 C1 SLES 1 -3.28288 30.9781 51.6847 CTL2 1046 1048 1049 1050 - 1.800000e-011050 1048 H11 SLES 1 -4.40714 30.9989 51.631 HAL2 1047 0 0 0 9.000000e-021051 1049 H12 SLES 1 -3.00288 30.1352 52.3655 HAL2 1047 0 0 0 9.000000e-021052 1050 C2 SLES 1 -2.65084 30.8432 50.3001 CTL2 1047 1051 1052 1053 - 1.800000e-011053 1051 H21 SLES 1 -2.96522 31.6431 49.5874 HAL2 1050 0 0 0 9.000000e-021054 1052 H22 SLES 1 -1.53471 30.8019 50.3299 HAL2 1050 0 0 0 9.000000e-021055 1053 C3 SLES 1 -3.16467 29.5434 49.8282 CTL2 1050 1054 1055 1056 - 1.800000e-011056 1054 H31 SLES 1 -4.28273 29.6587 49.8269 HAL2 1053 0 0 0 9.000000e-021057 1055 H32 SLES 1 -2.81458 28.7979 50.5947 HAL2 1053 0 0 0 9.000000e-021058 1056 C4 SLES 1 -2.78169 28.9969 48.4911 CTL2 1053 1057 1058 1059 - 1.800000e-011059 1057 H41 SLES 1 -3.09889 29.6809 47.6657 HAL2 1056 0 0 0 9.000000e-021060 1058 H42 SLES 1 -1.67896 28.8497 48.4123 HAL2 1056 0 0 0 9.000000e-021061 1059 C5 SLES 1 -3.58184 27.6891 48.5567 CTL2 1056 1060 1061 1062 - 1.800000e-011062 1060 H51 SLES 1 -4.67312 27.9026 48.7101 HAL2 1059 0 0 0 9.000000e-021063 1061 H52 SLES 1 -3.2695 27.0815 49.4465 HAL2 1059 0 0 0 9.000000e-021064 1062 C6 SLES 1 -3.49628 26.7947 47.3965 CTL2 1059 1063 1064 1065 - 1.800000e-011065 1063 H61 SLES 1 -4.55237 26.6265 47.0511 HAL2 1062 0 0 0 9.000000e-021066 1064 H62 SLES 1 -3.14474 25.8031 47.7894 HAL2 1062 0 0 0 9.000000e-021067 1065 C7 SLES 1 -2.61409 27.2551 46.2297 CTL2 1062 1066 1067 1068 - 1.800000e-011068 1066 H71 SLES 1 -2.96072 28.1974 45.7435 HAL2 1065 0 0 0 9.000000e-021069 1067 H72 SLES 1 -1.53581 27.3635 46.491 HAL2 1065 0 0 0 9.000000e-021070 1068 C8 SLES 1 -2.81248 26.0999 45.3166 CTL2 1065 1069 1070 1071 - 1.800000e-011071 1069 H81 SLES 1 -3.91909 26.0403 45.1166 HAL2 1068 0 0 0 9.000000e-021072 1070 H82 SLES 1 -2.46399 25.1886 45.881 HAL2 1068 0 0 0 9.000000e-021073 1071 C9 SLES 1 -2.13784 26.0622 43.9899 CTL2 1068 1072 1073 1074 - 1.800000e-011074 1072 H91 SLES 1 -2.45991 26.9286 43.37 HAL2 1071 0 0 0 9.000000e-021075 1073 H92 SLES 1 -1.03266 26.0927 44.1196 HAL2 1071 0 0 0 9.000000e-021076 1074 C10 SLES 1 -2.64631 24.7217 43.4636 CTL2 1071 1075 1076 1077 - 1.800000e-011077 1075 H10 SLES 1 -3.76916 24.7272 43.4258 HAL2 1074 0 0 0 9.000000e-021078 1076 H10 SLES 1 -2.35227 23.8979 44.1696 HAL2 1074 0 0 0 9.000000e-021079 1077 C11 SLES 1 -2.15212 24.3465 42.1043 CTL2 1074 1078 1079 1080 - 1.800000e-011080 1078 H11 SLES 1 -2.46436 25.1549 41.4029 HAL2 1077 0 0 0 9.000000e-021081 1079 H11 SLES 1 -1.03873 24.321 42.1511 HAL2 1077 0 0 0 9.000000e-021082 1080 C12 SLES 1 -2.73982 22.9888 41.709 CTL3 1077 1081 1082 1083 - 2.700000e-011083 1081 H12 SLES 1 -3.36124 23.0949 40.7986 HAL3 1080 0 0 0 9.000000e-021084 1082 H12 SLES 1 -1.92597 22.2543 41.552 HAL3 1080 0 0 0 9.000000e-021085 1083 H12 SLES 1 -3.40383 22.5647 42.5018 HAL3 1080 0 0 0 9.000000e-021086 1084 NA SLES 1 -17.3214 33.814 59.1394 NA 0 0 0 0 1 .000000e+001087 1085 S SLES 1 -18.8599 31.2101 58.9758 SL 1086 1087 1088 1089 1.33 0000e+001088 1086 OS1 SLES 1 -17.9347 31.1751 57.8304 OSL 1085 1090 0 0 - 2.800000e-011089 1087 OS2 SLES 1 -19.4303 32.4557 58.5133 O2L 1085 0 0 0 - 6.500000e-011090 1088 OS3 SLES 1 -17.7578 31.3469 59.8999 O2L 1085 0 0 0 - 6.500000e-011091 1089 OS4 SLES 1 -19.6265 29.9969 58.9283 O2L 1085 0 0 0 - 6.500000e-011092 1090 C2 SLES 1 -17.7749 30.1752 56.9053 CC32A 1086 1091 1092 1093 - 1.100000e-011093 1091 H2A SLES 1 -18.7315 29.9924 56.3482 HCA2 1090 0 0 0 9.000000e-021094 1092 H2B SLES 1 -17.4348 29.2251 57.3966 HCA2 1090 0 0 0 9.000000e-021095 1093 C1 SLES 1 -16.685 30.7608 55.9818 CC32A 1090 1094 1095 1096 - 1.000000e-021096 1094 H1B SLES 1 -17.0244 31.7256 55.5231 HCA2 1093 0 0 0 9.000000e-021097 1095 H1A SLES 1 -15.7405 30.9472 56.5496 HCA2 1093 0 0 0 9.000000e-021098 1096 O1 SLES 1 -16.2568 30.0094 54.8928 OC30A 1093 1097 0 0 - 3.400000e-011099 1097 C2 SLES 1 -16.8624 28.7479 54.6762 CC32A 1096 1098 1099 1100 - 1.000000e-021100 1098 H2A SLES 1 -17.9739 28.8655 54.5268 HCA2 1097 0 0 0 9.000000e-021101 1099 H2B SLES 1 -16.6935 28.0642 55.5408 HCA2 1097 0 0 0 9.000000e-021102 1100 C1 SLES 1 -16.0434 28.6791 53.3364 CC32A 1097 1101 1102 1103 - 1.000000e-021103 1101 H1B SLES 1 -16.977 28.629 52.7607 HCA2 1100 0 0 0 9.000000e-021104 1102 H1A SLES 1 -15.557 27.8028 53.9003 HCA2 1100 0 0 0 9.000000e-021105 1103 O1 SLES 1 -15.2257 28.1712 52.3139 OC30A 1100 1104 0 0 - 3.400000e-011106 1104 C1 SLES 1 -15.6218 26.9657 51.6753 CTL2 1103 1105 1106 1107 - 1.800000e-011107 1105 H11 SLES 1 -16.6988 26.9079 51.3527 HAL2 1104 0 0 0 9.000000e-021108 1106 H12 SLES 1 -15.433 26.0893 52.3452 HAL2 1104 0 0 0 9.000000e-021109 1107 C2 SLES 1 -14.672 26.9996 50.4788 CTL2 1104 1108 1109 1110 - 1.800000e-011110 1108 H21 SLES 1 -14.8826 27.8335 49.7668 HAL2 1107 0 0 0 9.000000e-021111 1109 H22 SLES 1 -13.5954 27.0385 50.7748 HAL2 1107 0 0 0 9.000000e-021112 1110 C3 SLES 1 -14.9376 25.7118 49.8101 CTL2 1107 1111 1112 1113 - 1.800000e-011113 1111 H31 SLES 1 -16.0297 25.7439 49.5462 HAL2 1110 0 0 0 9.000000e-021114 1112 H32 SLES 1 -14.7101 24.93 50.5865 HAL2 1110 0 0 0 9.000000e-021115 1113 C4 SLES 1 -14.2018 25.3145 48.5717 CTL2 1110 1114 1115 1116 - 1.800000e-011116 1114 H41 SLES 1 -14.3778 26.0429 47.7421 HAL2 1113 0 0 0 9.000000e-021117 1115 H42 SLES 1 -13.1027 25.2566 48.7522 HAL2 1113 0 0 0 9.000000e-021118 1116 C5 SLES 1 -14.8701 23.9503 48.3534 CTL2 1113 1117 1118 1119 - 1.800000e-011119 1117 H51 SLES 1 -15.9818 24.0684 48.2524 HAL2 1116 0 0 0 9.000000e-021120 1118 H52 SLES 1 -14.7209 23.2919 49.2493 HAL2 1116 0 0 0 9.000000e-021121 1119 C6 SLES 1 -14.4314 23.1699 47.1908 CTL2 1116 1120 1121 1122 - 1.800000e-011122 1120 H61 SLES 1 -15.3562 22.955 46.5897 HAL2 1119 0 0 0 9.000000e-021123 1121 H62 SLES 1 -14.0918 22.1763 47.5893 HAL2 1119 0 0 0 9.000000e-021124 1122 C7 SLES 1 -13.346 23.7946 46.3058 CTL2 1119 1123 1124 1125 - 1.800000e-011125 1123 H71 SLES 1 -13.6543 24.7478 45.8149 HAL2 1122 0 0 0 9.000000e-021126 1124 H72 SLES 1 -12.3743 23.9591 46.8269 HAL2 1122 0 0 0 9.000000e-021127 1125 C8 SLES 1 -13.216 22.7124 45.2962 CTL2 1122 1126 1127 1128 - 1.800000e-011128 1126 H81 SLES 1 -14.234 22.589 44.8309 HAL2 1125 0 0 0 9.000000e-021129 1127 H82 SLES 1 -12.9271 21.7834 45.8654 HAL2 1125 0 0 0 9.000000e-021130 1128 C9 SLES 1 -12.2476 22.8412 44.1726 CTL2 1125 1129 1130 1131 - 1.800000e-011131 1129 H91 SLES 1 -12.4936 23.7324 43.553 HAL2 1128 0 0 0 9.000000e-021132 1130 H92 SLES 1 -11.2117 22.9418 44.5676 HAL2 1128 0 0 0 9.000000e-021133 1131 C10 SLES 1 -12.4914 21.518 43.4498 CTL2 1128 1132 1133 1134 - 1.800000e-011134 1132 H10 SLES 1 -13.5693 21.4439 43.142 HAL2 1131 0 0 0 9.000000e-021135 1133 H10 SLES 1 -12.2966 20.6596 44.1488 HAL2 1131 0 0 0 9.000000e-021136 1134 C11 SLES 1 -11.6586 21.3009 42.2283 CTL2 1131 1135 1136 1137 - 1.800000e-011137 1135 H11 SLES 1 -11.8706 22.1424 41.5283 HAL2 1134 0 0 0 9.000000e-021138 1136 H11 SLES 1 -10.5901 21.3538 42.5412 HAL2 1134 0 0 0 9.000000e-021139 1137 C12 SLES 1 -12.0083 19.9435 41.612 CTL3 1134 1138 1139 1140 - 2.700000e-011140 1138 H12 SLES 1 -12.4051 20.0827 40.5876 HAL3 1137 0 0 0 9.000000e-021141 1139 H12 SLES 1 -11.1159 19.2877 41.6074 HAL3 1137 0 0 0 9.000000e-021142 1140 H12 SLES 1 -12.7979 19.4035 42.1902 HAL3 1137 0 0 0 9.000000e-021143 1141 NA SLES 1 -28.9414 23.5809 59.6534 NA 0 0 0 0 1 .000000e+001144 1142 S SLES 1 -30.1596 20.9487 58.7807 SL 1143 1144 1145 1146 1.33 0000e+001145 1143 OS1 SLES 1 -29.0451 21.178 57.8455 OSL 1142 1147 0 0 - 2.800000e-011146 1144 OS2 SLES 1 -30.7585 22.2149 58.4219 O2L 1142 0 0 0 - 6.500000e-011147 1145 OS3 SLES 1 -29.2602 20.9948 59.9104 O2L 1142 0 0 0 - 6.500000e-011148 1146 OS4 SLES 1 -30.781 19.7138 58.3923 O2L 1142 0 0 0 - 6.500000e-011149 1147 C2 SLES 1 -28.6236 20.3693 56.821 CC32A 1143 1148 1149 1150 - 1.100000e-011150 1148 H2A SLES 1 -29.4419 20.2232 56.0674 HCA2 1147 0 0 0 9.000000e-021151 1149 H2B SLES 1 -28.2846 19.3728 57.2104 HCA2 1147 0 0 0 9.000000e-021152 1150 C1 SLES 1 -27.4494 21.1802 56.2318 CC32A 1147 1151 1152 1153 - 1.000000e-021153 1151 H1B SLES 1 -27.7951 22.1855 55.8764 HCA2 1150 0 0 0 9.000000e-021154 1152 H1A SLES 1 -26.6452 21.3271 56.994 HCA2 1150 0 0 0 9.000000e-021155 1153 O1 SLES 1 -26.7604 20.6625 55.1403 OC30A 1150 1154 0 0 - 3.400000e-011156 1154 C2 SLES 1 -27.1892 19.4208 54.6117 CC32A 1153 1155 1156 1157 - 1.000000e-021157 1155 H2A SLES 1 -28.2619 19.4877 54.2708 HCA2 1154 0 0 0 9.000000e-021158 1156 H2B SLES 1 -27.111 18.6087 55.3719 HCA2 1154 0 0 0 9.000000e-021159 1157 C1 SLES 1 -26.1404 19.6439 53.4623 CC32A 1154 1158 1159 1160 - 1.000000e-021160 1158 H1B SLES 1 -26.9461 19.633 52.7163 HCA2 1157 0 0 0 9.000000e-021161 1159 H1A SLES 1 -25.6786 18.7169 53.962 HCA2 1157 0 0 0 9.000000e-021162 1160 O1 SLES 1 -25.1064 19.3799 52.5495 OC30A 1157 1161 0 0 - 3.400000e-011163 1161 C1 SLES 1 -25.2599 18.2815 51.6619 CTL2 1160 1162 1163 1164 - 1.800000e-011164 1162 H11 SLES 1 -26.2505 18.209 51.132 HAL2 1161 0 0 0 9.000000e-021165 1163 H12 SLES 1 -25.1083 17.3157 52.2067 HAL2 1161 0 0 0 9.000000e-021166 1164 C2 SLES 1 -24.1191 18.5892 50.693 CTL2 1161 1165 1166 1167 - 1.800000e-011167 1165 H21 SLES 1 -24.2803 19.5191 50.0964 HAL2 1164 0 0 0 9.000000e-021168 1166 H22 SLES 1 -23.1222 18.6478 51.1942 HAL2 1164 0 0 0 9.000000e-021169 1167 C3 SLES 1 -24.1313 17.424 49.7883 CTL2 1164 1168 1169 1170 - 1.800000e-011170 1168 H31 SLES 1 -25.1561 17.4284 49.3267 HAL2 1167 0 0 0 9.000000e-021171 1169 H32 SLES 1 -23.9703 16.535 50.4588 HAL2 1167 0 0 0 9.000000e-021172 1170 C4 SLES 1 -23.1496 17.301 48.6685 CTL2 1167 1171 1172 1173 - 1.800000e-011173 1171 H41 SLES 1 -23.2455 18.1503 47.9479 HAL2 1170 0 0 0 9.000000e-021174 1172 H42 SLES 1 -22.1005 17.2865 49.0467 HAL2 1170 0 0 0 9.000000e-021175 1173 C5 SLES 1 -23.6292 15.9546 48.1096 CTL2 1170 1174 1175 1176 - 1.800000e-011176 1174 H51 SLES 1 -24.7109 16.0135 47.8155 HAL2 1173 0 0 0 9.000000e-021177 1175 H52 SLES 1 -23.5786 15.1605 48.9004 HAL2 1173 0 0 0 9.000000e-021178 1176 C6 SLES 1 -22.9139 15.422 46.9443 CTL2 1173 1177 1178 1179 - 1.800000e-011179 1177 H61 SLES 1 -23.6901 15.2544 46.1491 HAL2 1176 0 0 0 9.000000e-021180 1178 H62 SLES 1 -22.5544 14.3991 47.2369 HAL2 1176 0 0 0 9.000000e-021181 1179 C7 SLES 1 -21.7549 16.2643 46.3977 CTL2 1176 1180 1181 1182 - 1.800000e-011182 1180 H71 SLES 1 -22.0632 17.2659 46.0153 HAL2 1179 0 0 0 9.000000e-021183 1181 H72 SLES 1 -20.9136 16.3997 47.1165 HAL2 1179 0 0 0 9.000000e-021184 1182 C8 SLES 1 -21.3392 15.3877 45.2725 CTL2 1179 1183 1184 1185 - 1.800000e-011185 1183 H81 SLES 1 -22.2399 15.2796 44.6053 HAL2 1182 0 0 0 9.000000e-021186 1184 H82 SLES 1 -21.0664 14.3947 45.7307 HAL2 1182 0 0 0 9.000000e-021187 1185 C9 SLES 1 -20.2026 15.7768 44.3929 CTL2 1182 1186 1187 1188 - 1.800000e-011188 1186 H91 SLES 1 -20.4208 16.7445 43.8882 HAL2 1185 0 0 0 9.000000e-021189 1187 H92 SLES 1 -19.2695 15.876 44.9918 HAL2 1185 0 0 0 9.000000e-021190 1188 C10 SLES 1 -20.1803 14.588 43.4344 CTL2 1185 1189 1190 1191 - 1.800000e-011191 1189 H10 SLES 1 -21.1729 14.4966 42.916 HAL2 1188 0 0 0 9.000000e-021192 1190 H10 SLES 1 -20.0299 13.6351 44.0114 HAL2 1188 0 0 0 9.000000e-021193 1191 C11 SLES 1 -19.1247 14.6455 42.3786 CTL2 1188 1192 1193 1194 - 1.800000e-011194 1192 H11 SLES 1 -19.2902 15.5808 41.7946 HAL2 1191 0 0 0 9.000000e-021195 1193 H11 SLES 1 -18.1402 14.7145 42.8967 HAL2 1191 0 0 0 9.000000e-021196 1194 C12 SLES 1 -19.2217 13.3971 41.4971 CTL3 1191 1195 1196 1197 - 2.700000e-011197 1195 H12 SLES 1 -19.4403 13.6872 40.4511 HAL3 1194 0 0 0 9.000000e-021198 1196 H12 SLES 1 -18.2824 12.814 41.5606 HAL3 1194 0 0 0 9.000000e-021199 1197 H12 SLES 1 -20.0447 12.712 41.8176 HAL3 1194 0 0 0 9.000000e-021200 1198 NA SLES 1 -35.4226 9.43959 60.1626 NA 0 0 0 0 1 .000000e+001201 1199 S SLES 1 -36.2988 7.00385 58.5898 SL 1200 1201 1202 1203 1.33 0000e+001202 1200 OS1 SLES 1 -35.1297 7.52415 57.8606 OSL 1199 1204 0 0 - 2.800000e-011203 1201 OS2 SLES 1 -36.9799 8.27273 58.4602 O2L 1199 0 0 0 - 6.500000e-011204 1202 OS3 SLES 1 -35.516 6.849 59.7942 O2L 1199 0 0 0 - 6.500000e-011205 1203 OS4 SLES 1 -36.7614 5.85273 57.8667 O2L 1199 0 0 0 - 6.500000e-011206 1204 C2 SLES 1 -34.5403 7.00926 56.7342 CC32A 1200 1205 1206 1207 - 1.100000e-011207 1205 H2A SLES 1 -35.2679 6.98516 55.8805 HCA2 1204 0 0 0 9.000000e-021208 1206 H2B SLES 1 -34.1454 5.97619 56.9249 HCA2 1204 0 0 0 9.000000e-021209 1207 C1 SLES 1 -33.3993 8.01708 56.4774 CC32A 1204 1208 1209 1210 - 1.000000e-021210 1208 H1B SLES 1 -33.8048 9.05021 56.3209 HCA2 1207 0 0 0 9.000000e-021211 1209 H1A SLES 1 -32.6866 8.03895 57.3381 HCA2 1207 0 0 0 9.000000e-021212 1210 O1 SLES 1 -32.5663 7.81907 55.3815 OC30A 1207 1211 0 0 - 3.400000e-011213 1211 C2 SLES 1 -32.8243 6.70787 54.5427 CC32A 1210 1212 1213 1214 - 1.000000e-021214 1212 H2A SLES 1 -33.8625 6.77571 54.1079 HCA2 1211 0 0 0 9.000000e-021215 1213 H2B SLES 1 -32.7397 5.74838 55.1047 HCA2 1211 0 0 0 9.000000e-021216 1214 C1 SLES 1 -31.6999 7.26744 53.5975 CC32A 1211 1215 1216 1217 - 1.000000e-021217 1215 H1B SLES 1 -32.4285 7.37359 52.783 HCA2 1214 0 0 0 9.000000e-021218 1216 H1A SLES 1 -31.2 6.28478 53.9244 HCA2 1214 0 0 0 9.000000e-021219 1217 O1 SLES 1 -30.5656 7.29837 52.7702 OC30A 1214 1218 0 0 - 3.400000e-011220 1218 C1 SLES 1 -30.5313 6.42954 51.6469 CTL2 1217 1219 1220 1221 - 1.800000e-011221 1219 H11 SLES 1 -31.4573 6.41223 51.0069 HAL2 1218 0 0 0 9.000000e-021222 1220 H12 SLES 1 -30.3393 5.37664 51.974 HAL2 1218 0 0 0 9.000000e-021223 1221 C2 SLES 1 -29.3404 7.03561 50.9057 CTL2 1218 1222 1223 1224 - 1.800000e-011224 1222 H21 SLES 1 -29.5336 8.06518 50.5193 HAL2 1221 0 0 0 9.000000e-021225 1223 H22 SLES 1 -28.4042 7.0466 51.5154 HAL2 1221 0 0 0 9.000000e-021226 1224 C3 SLES 1 -29.158 6.11608 49.7667 CTL2 1221 1225 1226 1227 - 1.800000e-011227 1225 H31 SLES 1 -30.1316 6.15498 49.2062 HAL2 1224 0 0 0 9.000000e-021228 1226 H32 SLES 1 -28.9757 5.10892 50.2337 HAL2 1224 0 0 0 9.000000e-021229 1227 C4 SLES 1 -28.0699 6.32843 48.7647 CTL2 1224 1228 1229 1230 - 1.800000e-011230 1228 H41 SLES 1 -28.1793 7.31346 48.2475 HAL2 1227 0 0 0 9.000000e-021231 1229 H42 SLES 1 -27.0636 6.30094 49.2448 HAL2 1227 0 0 0 9.000000e-021232 1230 C5 SLES 1 -28.3655 5.11903 47.8675 CTL2 1227 1231 1232 1233 - 1.800000e-011233 1231 H51 SLES 1 -29.4161 5.16756 47.4751 HAL2 1230 0 0 0 9.000000e-021234 1232 H52 SLES 1 -28.3127 4.16794 48.4599 HAL2 1230 0 0 0 9.000000e-021235 1233 C6 SLES 1 -27.4982 4.92576 46.6997 CTL2 1230 1234 1235 1236 - 1.800000e-011236 1234 H61 SLES 1 -28.1781 4.89344 45.8055 HAL2 1233 0 0 0 9.000000e-021237 1235 H62 SLES 1 -27.0715 3.8911 46.793 HAL2 1233 0 0 0 9.000000e-021238 1236 C7 SLES 1 -26.3791 5.95291 46.4895 CTL2 1233 1237 1238 1239 - 1.800000e-011239 1237 H71 SLES 1 -26.7448 6.99152 46.3101 HAL2 1236 0 0 0 9.000000e-021240 1238 H72 SLES 1 -25.6245 5.97647 47.3097 HAL2 1236 0 0 0 9.000000e-021241 1239 C8 SLES 1 -25.7798 5.39526 45.2496 CTL2 1236 1240 1241 1242 - 1.800000e-011242 1240 H81 SLES 1 -26.6007 5.38198 44.4789 HAL2 1239 0 0 0 9.000000e-021243 1241 H82 SLES 1 -25.4571 4.34481 45.5004 HAL2 1239 0 0 0 9.000000e-021244 1242 C9 SLES 1 -24.6091 6.05918 44.6128 CTL2 1239 1243 1244 1245 - 1.800000e-011245 1243 H91 SLES 1 -24.8709 7.09981 44.3174 HAL2 1242 0 0 0 9.000000e-021246 1244 H92 SLES 1 -23.749 6.0821 45.3191 HAL2 1242 0 0 0 9.000000e-021247 1245 C10 SLES 1 -24.3854 5.1317 43.4202 CTL2 1242 1246 1247 1248 - 1.800000e-011248 1246 H10 SLES 1 -25.3126 5.09332 42.7869 HAL2 1245 0 0 0 9.000000e-021249 1247 H10 SLES 1 -24.1988 4.0837 43.7812 HAL2 1245 0 0 0 9.000000e-021250 1248 C11 SLES 1 -23.247 5.50948 42.5291 CTL2 1245 1249 1250 1251 - 1.800000e-011251 1249 H11 SLES 1 -23.4462 6.54094 42.1556 HAL2 1248 0 0 0 9.000000e-021252 1250 H11 SLES 1 -22.3256 5.52565 43.1561 HAL2 1248 0 0 0 9.000000e-021253 1251 C12 SLES 1 -23.143 4.49776 41.3843 CTL3 1248 1252 1253 1254 - 2.700000e-011254 1252 H12 SLES 1 -23.2907 5.0077 40.4126 HAL3 1251 0 0 0 9.000000e-021255 1253 H12 SLES 1 -22.1623 3.98455 41.4196 HAL3 1251 0 0 0 9.000000e-021256 1254 H12 SLES 1 -23.9231 3.69979 41.4485 HAL3 1251 0 0 0 9.000000e-021257 1255 NA SLES 1 -35.5608 -6.1806 60.5788 NA 0 0 0 0 1 .000000e+001258 1256 S SLES 1 -36.2478 -8.20811 58.436 SL 1257 1258 1259 1260 1.33 0000e+001259 1257 OS1 SLES 1 -35.1339 -7.426 57.8731 OSL 1256 1261 0 0 - 2.800000e-011260 1258 OS2 SLES 1 -37.0335 -7.0086 58.6217 O2L 1256 0 0 0 - 6.500000e-011261 1259 OS3 SLES 1 -35.442 -8.59439 59.5712 O2L 1256 0 0 0 - 6.500000e-011262 1260 OS4 SLES 1 -36.6205 -9.17541 57.4423 O2L 1256 0 0 0 - 6.500000e-011263 1261 C2 SLES 1 -34.5156 -7.5909 56.6599 CC32A 1257 1262 1263 1264 - 1.100000e-011264 1262 H2A SLES 1 -35.2478 -7.46056 55.8197 HCA2 1261 0 0 0 9.000000e-021265 1263 H2B SLES 1 -34.034 -8.60216 56.5896 HCA2 1261 0 0 0 9.000000e-021266 1264 C1 SLES 1 -33.4653 -6.45946 56.6764 CC32A 1261 1265 1266 1267 - 1.000000e-021267 1265 H1B SLES 1 -33.9572 -5.45758 56.7797 HCA2 1264 0 0 0 9.000000e-021268 1266 H1A SLES 1 -32.7478 -6.59492 57.5225 HCA2 1264 0 0 0 9.000000e-021269 1267 O1 SLES 1 -32.6305 -6.30609 55.5747 OC30A 1264 1268 0 0 - 3.400000e-011270 1268 C2 SLES 1 -32.8039 -7.18883 54.4813 CC32A 1267 1269 1270 1271 - 1.000000e-021271 1269 H2A SLES 1 -33.8487 -7.10078 54.0664 HCA2 1268 0 0 0 9.000000e-021272 1270 H2B SLES 1 -32.6337 -8.24812 54.7854 HCA2 1268 0 0 0 9.000000e-021273 1271 C1 SLES 1 -31.7401 -6.31836 53.7187 CC32A 1268 1272 1273 1274 - 1.000000e-021274 1272 H1B SLES 1 -32.4837 -6.07234 52.9492 HCA2 1271 0 0 0 9.000000e-021275 1273 H1A SLES 1 -31.1567 -7.30645 53.794 HCA2 1271 0 0 0 9.000000e-021276 1274 O1 SLES 1 -30.6212 -5.9865 52.9378 OC30A 1271 1275 0 0 - 3.400000e-011277 1275 C1 SLES 1 -30.5266 -6.53976 51.6328 CTL2 1274 1276 1277 1278 - 1.800000e-011278 1276 H11 SLES 1 -31.4547 -6.47303 50.9992 HAL2 1275 0 0 0 9.000000e-021279 1277 H12 SLES 1 -30.2441 -7.62128 51.6874 HAL2 1275 0 0 0 9.000000e-021280 1278 C2 SLES 1 -29.3983 -5.6701 51.0801 CTL2 1275 1279 1280 1281 - 1.800000e-011281 1279 H21 SLES 1 -29.6807 -4.59632 50.9623 HAL2 1278 0 0 0 9.000000e-021282 1280 H22 SLES 1 -28.4598 -5.73447 51.683 HAL2 1278 0 0 0 9.000000e-021283 1281 C3 SLES 1 -29.1521 -6.25597 49.7488 CTL2 1278 1282 1283 1284 - 1.800000e-011284 1282 H31 SLES 1 -30.1314 -6.15895 49.2057 HAL2 1281 0 0 0 9.000000e-021285 1283 H32 SLES 1 -28.8816 -7.3293 49.9502 HAL2 1281 0 0 0 9.000000e-021286 1284 C4 SLES 1 -28.0962 -5.70917 48.8438 CTL2 1281 1285 1286 1287 - 1.800000e-011287 1285 H41 SLES 1 -28.2927 -4.63853 48.5891 HAL2 1284 0 0 0 9.000000e-021288 1286 H42 SLES 1 -27.086 -5.77229 49.3123 HAL2 1284 0 0 0 9.000000e-021289 1287 C5 SLES 1 -28.2995 -6.67507 47.6687 CTL2 1284 1288 1289 1290 - 1.800000e-011290 1288 H51 SLES 1 -29.3546 -6.61735 47.29 HAL2 1287 0 0 0 9.000000e-021291 1289 H52 SLES 1 -28.1614 -7.73657 48.0042 HAL2 1287 0 0 0 9.000000e-021292 1290 C6 SLES 1 -27.4316 -6.49625 46.4991 CTL2 1287 1291 1292 1293 - 1.800000e-011293 1291 H61 SLES 1 -28.116 -6.35973 45.6182 HAL2 1290 0 0 0 9.000000e-021294 1292 H62 SLES 1 -26.9192 -7.48197 46.3344 HAL2 1290 0 0 0 9.000000e-021295 1293 C7 SLES 1 -26.4043 -5.35969 46.5653 CTL2 1290 1294 1295 1296 - 1.800000e-011296 1294 H71 SLES 1 -26.8571 -4.34348 46.6483 HAL2 1293 0 0 0 9.000000e-021297 1295 H72 SLES 1 -25.6456 -5.47988 47.3731 HAL2 1293 0 0 0 9.000000e-021298 1296 C8 SLES 1 -25.7738 -5.53652 45.2316 CTL2 1293 1297 1298 1299 - 1.800000e-011299 1297 H81 SLES 1 -26.5989 -5.42435 44.4735 HAL2 1296 0 0 0 9.000000e-021300 1298 H82 SLES 1 -25.3621 -6.58565 45.2142 HAL2 1296 0 0 0 9.000000e-021301 1299 C9 SLES 1 -24.6693 -4.63893 44.7941 CTL2 1296 1300 1301 1302 - 1.800000e-011302 1300 H91 SLES 1 -25.02 -3.58302 44.7665 HAL2 1299 0 0 0 9.000000e-021303 1301 H92 SLES 1 -23.8067 -4.72238 45.4927 HAL2 1299 0 0 0 9.000000e-021304 1302 C10 SLES 1 -24.3818 -5.21558 43.4095 CTL2 1299 1303 1304 1305 - 1.800000e-011305 1303 H10 SLES 1 -25.3093 -5.17097 42.777 HAL2 1302 0 0 0 9.000000e-021306 1304 H10 SLES 1 -24.1048 -6.30134 43.498 HAL2 1302 0 0 0 9.000000e-021307 1305 C11 SLES 1 -23.2885 -4.53287 42.6538 CTL2 1302 1306 1307 1308 - 1.800000e-011308 1306 H11 SLES 1 -23.5768 -3.46098 42.5489 HAL2 1305 0 0 0 9.000000e-021309 1307 H11 SLES 1 -22.365 -4.59783 43.2746 HAL2 1305 0 0 0 9.000000e-021310 1308 C12 SLES 1 -23.1127 -5.21273 41.293 CTL3 1305 1309 1310 1311 - 2.700000e-011311 1309 H12 SLES 1 -23.3126 -4.48945 40.4788 HAL3 1308 0 0 0 9.000000e-021312 1310 H12 SLES 1 -22.0923 -5.63484 41.2088 HAL3 1308 0 0 0 9.000000e-021313 1311 H12 SLES 1 -23.8228 -6.0634 41.1466 HAL3 1308 0 0 0 9.000000e-021314 1312 NA SLES 1 -29.2646 -20.5273 60.8301 NA 0 0 0 0 1 .000000e+001315 1313 S SLES 1 -30.0402 -22.077 58.3459 SL 1314 1315 1316 1317 1.33 0000e+001316 1314 OS1 SLES 1 -29.0549 -21.086 57.8809 OSL 1313 1318 0 0 - 2.800000e-011317 1315 OS2 SLES 1 -30.8839 -21.0304 58.8783 O2L 1313 0 0 0 - 6.500000e-011318 1316 OS3 SLES 1 -29.0871 -22.6302 59.2802 O2L 1313 0 0 0 - 6.500000e-011319 1317 OS4 SLES 1 -30.4516 -22.8271 57.1927 O2L 1313 0 0 0 - 6.500000e-011320 1318 C2 SLES 1 -28.5659 -20.9143 56.611 CC32A 1314 1319 1320 1321 - 1.100000e-011321 1319 H2A SLES 1 -29.3948 -20.6686 55.8958 HCA2 1318 0 0 0 9.000000e-021322 1320 H2B SLES 1 -28.0242 -21.8332 56.2623 HCA2 1318 0 0 0 9.000000e-021323 1321 C1 SLES 1 -27.6038 -19.7208 56.7941 CC32A 1318 1322 1323 1324 - 1.000000e-021324 1322 H1B SLES 1 -28.1513 -18.8193 57.1735 HCA2 1321 0 0 0 9.000000e-021325 1323 H1A SLES 1 -26.7884 -19.9741 57.5153 HCA2 1321 0 0 0 9.000000e-021326 1324 O1 SLES 1 -26.9104 -19.2448 55.6865 OC30A 1321 1325 0 0 - 3.400000e-011327 1325 C2 SLES 1 -27.1415 -19.8715 54.438 CC32A 1324 1326 1327 1328 - 1.000000e-021328 1326 H2A SLES 1 -28.2297 -19.7923 54.1534 HCA2 1325 0 0 0 9.000000e-021329 1327 H2B SLES 1 -26.8632 -20.9509 54.4693 HCA2 1325 0 0 0 9.000000e-021330 1328 C1 SLES 1 -26.2345 -18.7546 53.8049 CC32A 1325 1329 1330 1331 - 1.000000e-021331 1329 H1B SLES 1 -27.0751 -18.4138 53.1861 HCA2 1328 0 0 0 9.000000e-021332 1330 H1A SLES 1 -25.5773 -19.6742 53.5932 HCA2 1328 0 0 0 9.000000e-021333 1331 O1 SLES 1 -25.2364 -18.1507 53.0232 OC30A 1328 1332 0 0 - 3.400000e-011334 1332 C1 SLES 1 -25.249 -18.3848 51.6221 CTL2 1331 1333 1334 1335 - 1.800000e-011335 1333 H11 SLES 1 -26.2445 -18.2659 51.11 HAL2 1332 0 0 0 9.000000e-021336 1334 H12 SLES 1 -24.8857 -19.4189 51.3963 HAL2 1332 0 0 0 9.000000e-021337 1335 C2 SLES 1 -24.2545 -17.3097 51.186 CTL2 1332 1336 1337 1338 - 1.800000e-011338 1336 H21 SLES 1 -24.6242 -16.2689 51.3489 HAL2 1335 0 0 0 9.000000e-021339 1337 H22 SLES 1 -23.2523 -17.4184 51.6679 HAL2 1335 0 0 0 9.000000e-021340 1338 C3 SLES 1 -24.1175 -17.5551 49.7378 CTL2 1335 1339 1340 1341 - 1.800000e-011341 1339 H31 SLES 1 -25.1557 -17.4321 49.3252 HAL2 1338 0 0 0 9.000000e-021342 1340 H32 SLES 1 -23.7502 -18.6154 49.6572 HAL2 1338 0 0 0 9.000000e-021343 1341 C4 SLES 1 -23.211 -16.7208 48.892 CTL2 1338 1342 1343 1344 - 1.800000e-011344 1342 H41 SLES 1 -23.5107 -15.644 48.9137 HAL2 1341 0 0 0 9.000000e-021345 1343 H42 SLES 1 -22.1529 -16.7912 49.2375 HAL2 1341 0 0 0 9.000000e-021346 1344 C5 SLES 1 -23.475 -17.4126 47.5478 CTL2 1341 1345 1346 1347 - 1.800000e-011347 1345 H51 SLES 1 -24.5672 -17.3719 47.2921 HAL2 1344 0 0 0 9.000000e-021348 1346 H52 SLES 1 -23.2247 -18.5042 47.6119 HAL2 1344 0 0 0 9.000000e-021349 1347 C6 SLES 1 -22.7582 -16.8935 46.3773 CTL2 1344 1348 1349 1350 - 1.800000e-011350 1348 H61 SLES 1 -23.5447 -16.6282 45.6197 HAL2 1347 0 0 0 9.000000e-021351 1349 H62 SLES 1 -22.1984 -17.7636 45.9404 HAL2 1347 0 0 0 9.000000e-021352 1350 C7 SLES 1 -21.8137 -15.7085 46.6119 CTL2 1347 1351 1352 1353 - 1.800000e-011353 1351 H71 SLES 1 -22.3258 -14.7848 46.9714 HAL2 1350 0 0 0 9.000000e-021354 1352 H72 SLES 1 -20.9628 -15.9344 47.2958 HAL2 1350 0 0 0 9.000000e-021355 1353 C8 SLES 1 -21.3252 -15.52 45.2215 CTL2 1350 1354 1355 1356 - 1.800000e-011356 1354 H81 SLES 1 -22.2357 -15.3193 44.59 HAL2 1353 0 0 0 9.000000e-021357 1355 H82 SLES 1 -20.8442 -16.4943 44.9217 HAL2 1353 0 0 0 9.000000e-021358 1356 C9 SLES 1 -20.3435 -14.4461 44.9057 CTL2 1353 1357 1358 1359 - 1.800000e-011359 1357 H91 SLES 1 -20.7695 -13.4493 45.1579 HAL2 1356 0 0 0 9.000000e-021360 1358 H92 SLES 1 -19.4044 -14.602 45.4827 HAL2 1356 0 0 0 9.000000e-021361 1359 C10 SLES 1 -20.172 -14.6665 43.4041 CTL2 1356 1360 1361 1362 - 1.800000e-011362 1360 H10 SLES 1 -21.1652 -14.5694 42.888 HAL2 1359 0 0 0 9.000000e-021363 1361 H10 SLES 1 -19.81 -15.713 43.2107 HAL2 1359 0 0 0 9.000000e-021364 1362 C11 SLES 1 -19.2215 -13.7305 42.7312 CTL2 1359 1363 1364 1365 - 1.800000e-011365 1363 H11 SLES 1 -19.5955 -12.6949 42.9066 HAL2 1362 0 0 0 9.000000e-021366 1364 H11 SLES 1 -18.2322 -13.8452 43.2317 HAL2 1362 0 0 0 9.000000e-021367 1365 C12 SLES 1 -19.1508 -14.067 41.239 CTL3 1362 1366 1367 1368 - 2.700000e-011368 1366 H12 SLES 1 -19.4917 -13.2016 40.6382 HAL3 1365 0 0 0 9.000000e-021369 1367 H12 SLES 1 -18.1187 -14.3603 40.9647 HAL3 1365 0 0 0 9.000000e-021370 1368 H12 SLES 1 -19.8104 -14.9267 40.9642 HAL3 1365 0 0 0 9.000000e-021371 1369 NA SLES 1 -17.6156 -31.0353 60.8731 NA 0 0 0 0 1 .000000e+001372 1370 S SLES 1 -18.7512 -32.2369 58.3352 SL 1371 1372 1373 1374 1.33 0000e+001373 1371 OS1 SLES 1 -17.9436 -31.0914 57.8826 OSL 1370 1375 0 0 - 2.800000e-011374 1372 OS2 SLES 1 -19.5444 -31.3779 59.1858 O2L 1370 0 0 0 - 6.500000e-011375 1373 OS3 SLES 1 -17.6002 -32.8351 58.9714 O2L 1370 0 0 0 - 6.500000e-011376 1374 OS4 SLES 1 -19.3265 -32.8299 57.1608 O2L 1370 0 0 0 - 6.500000e-011377 1375 C2 SLES 1 -17.7224 -30.6711 56.5959 CC32A 1371 1376 1377 1378 - 1.100000e-011378 1376 H2A SLES 1 -18.6886 -30.3977 56.0953 HCA2 1375 0 0 0 9.000000e-021379 1377 H2B SLES 1 -17.1978 -31.4641 55.9997 HCA2 1375 0 0 0 9.000000e-021380 1378 C1 SLES 1 -16.8256 -29.4328 56.8104 CC32A 1375 1379 1380 1381 - 1.000000e-021381 1379 H1B SLES 1 -17.3488 -28.6624 57.4343 HCA2 1378 0 0 0 9.000000e-021382 1380 H1A SLES 1 -15.8708 -29.716 57.3177 HCA2 1378 0 0 0 9.000000e-021383 1381 O1 SLES 1 -16.3934 -28.7194 55.6976 OC30A 1378 1382 0 0 - 3.400000e-011384 1382 C2 SLES 1 -16.819 -29.158 54.4204 CC32A 1381 1383 1384 1385 - 1.000000e-021385 1383 H2A SLES 1 -17.9445 -29.1427 54.3539 HCA2 1382 0 0 0 9.000000e-021386 1384 H2B SLES 1 -16.4678 -30.1955 54.2111 HCA2 1382 0 0 0 9.000000e-021387 1385 C1 SLES 1 -16.129 -27.8698 53.8412 CC32A 1382 1386 1387 1388 - 1.000000e-021388 1386 H1B SLES 1 -17.0945 -27.5195 53.4529 HCA2 1385 0 0 0 9.000000e-021389 1387 H1A SLES 1 -15.4648 -28.6739 53.3568 HCA2 1385 0 0 0 9.000000e-021390 1388 O1 SLES 1 -15.3442 -27.0526 53.0117 OC30A 1385 1389 0 0 - 3.400000e-011391 1389 C1 SLES 1 -15.6119 -27.0596 51.6167 CTL2 1388 1390 1391 1392 - 1.800000e-011392 1390 H11 SLES 1 -16.6933 -26.9598 51.3204 HAL2 1389 0 0 0 9.000000e-021393 1391 H12 SLES 1 -15.2303 -28.0031 51.1512 HAL2 1389 0 0 0 9.000000e-021394 1392 C2 SLES 1 -14.7953 -25.8354 51.2052 CTL2 1389 1393 1394 1395 - 1.800000e-011395 1393 H21 SLES 1 -15.1958 -24.8758 51.6121 HAL2 1392 0 0 0 9.000000e-021396 1394 H22 SLES 1 -13.7138 -25.9197 51.4728 HAL2 1392 0 0 0 9.000000e-021397 1395 C3 SLES 1 -14.925 -25.8311 49.7357 CTL2 1392 1396 1397 1398 - 1.800000e-011398 1396 H31 SLES 1 -16.0293 -25.7473 49.5441 HAL2 1395 0 0 0 9.000000e-021399 1397 H32 SLES 1 -14.5096 -26.8231 49.4054 HAL2 1395 0 0 0 9.000000e-021400 1398 C4 SLES 1 -14.2577 -24.7865 48.9011 CTL2 1395 1399 1400 1401 - 1.800000e-011401 1399 H41 SLES 1 -14.6194 -23.7621 49.165 HAL2 1398 0 0 0 9.000000e-021402 1400 H42 SLES 1 -13.1504 -24.8059 49.0334 HAL2 1398 0 0 0 9.000000e-021403 1401 C5 SLES 1 -14.7296 -25.2771 47.5257 CTL2 1398 1402 1403 1404 - 1.800000e-011404 1402 H51 SLES 1 -15.8509 -25.3046 47.4811 HAL2 1401 0 0 0 9.000000e-021405 1403 H52 SLES 1 -14.3987 -26.3346 47.351 HAL2 1401 0 0 0 9.000000e-021406 1404 C6 SLES 1 -14.2896 -24.5089 46.3554 CTL2 1401 1405 1406 1407 - 1.800000e-011407 1405 H61 SLES 1 -15.2239 -24.2052 45.8097 HAL2 1404 0 0 0 9.000000e-021408 1406 H62 SLES 1 -13.7675 -25.238 45.6791 HAL2 1404 0 0 0 9.000000e-021409 1407 C7 SLES 1 -13.3995 -23.2888 46.6214 CTL2 1404 1408 1409 1410 - 1.800000e-011410 1408 H71 SLES 1 -13.8934 -22.49 47.2235 HAL2 1407 0 0 0 9.000000e-021411 1409 H72 SLES 1 -12.4191 -23.5357 47.0911 HAL2 1407 0 0 0 9.000000e-021412 1410 C8 SLES 1 -13.2032 -22.8329 45.221 CTL2 1407 1411 1412 1413 - 1.800000e-011413 1411 H81 SLES 1 -14.2302 -22.6251 44.8083 HAL2 1410 0 0 0 9.000000e-021414 1412 H82 SLES 1 -12.7248 -23.694 44.6733 HAL2 1410 0 0 0 9.000000e-021415 1413 C9 SLES 1 -12.3758 -21.6302 44.9281 CTL2 1410 1414 1415 1416 - 1.800000e-011416 1414 H91 SLES 1 -12.8111 -20.7339 45.4238 HAL2 1413 0 0 0 9.000000e-021417 1415 H92 SLES 1 -11.3344 -21.7824 45.2909 HAL2 1413 0 0 0 9.000000e-021418 1416 C10 SLES 1 -12.4838 -21.5895 43.4052 CTL2 1413 1417 1418 1419 - 1.800000e-011419 1417 H10 SLES 1 -13.5623 -21.5101 43.1007 HAL2 1416 0 0 0 9.000000e-021420 1418 H10 SLES 1 -12.0964 -22.5504 42.9691 HAL2 1416 0 0 0 9.000000e-021421 1419 C11 SLES 1 -11.7468 -20.4682 42.7479 CTL2 1416 1420 1421 1422 - 1.800000e-011422 1420 H11 SLES 1 -12.1487 -19.5163 43.1667 HAL2 1419 0 0 0 9.000000e-021423 1421 H11 SLES 1 -10.6738 -20.5627 43.0347 HAL2 1419 0 0 0 9.000000e-021424 1422 C12 SLES 1 -11.9437 -20.5531 41.2316 CTL3 1419 1423 1424 1425 - 2.700000e-011425 1423 H12 SLES 1 -12.4519 -19.6408 40.8633 HAL3 1422 0 0 0 9.000000e-021426 1424 H12 SLES 1 -10.9669 -20.6948 40.7295 HAL3 1422 0 0 0 9.000000e-021427 1425 H12 SLES 1 -12.5845 -21.4188 40.9329 HAL3 1422 0 0 0 9.000000e-021428 1426 NA SLES 1 -2.68635 -35.8258 60.7003 NA 0 0 0 0 1 .000000e+001429 1427 S SLES 1 -4.31011 -36.9537 58.4056 SL 1428 1429 1430 1431 1.33 0000e+001430 1428 OS1 SLES 1 -3.72286 -35.7104 57.8779 OSL 1427 1432 0 0 - 2.800000e-011431 1429 OS2 SLES 1 -4.93526 -36.2312 59.4909 O2L 1427 0 0 0 - 6.500000e-011432 1430 OS3 SLES 1 -2.99849 -37.4841 58.6982 O2L 1427 0 0 0 - 6.500000e-011433 1431 OS4 SLES 1 -5.107 -37.517 57.3523 O2L 1427 0 0 0 - 6.500000e-011434 1432 C2 SLES 1 -3.85112 -35.1856 56.6172 CC32A 1428 1433 1434 1435 - 1.100000e-011435 1433 H2A SLES 1 -4.92723 -34.9698 56.384 HCA2 1432 0 0 0 9.000000e-021436 1434 H2B SLES 1 -3.42921 -35.8845 55.8471 HCA2 1432 0 0 0 9.000000e-021437 1435 C1 SLES 1 -3.02316 -33.8867 56.7224 CC32A 1432 1436 1437 1438 - 1.000000e-021438 1436 H1B SLES 1 -3.43531 -33.212 57.5168 HCA2 1435 0 0 0 9.000000e-021439 1437 H1A SLES 1 -1.95577 -34.1137 56.9639 HCA2 1435 0 0 0 9.000000e-021440 1438 O1 SLES 1 -2.92688 -33.0629 55.606 OC30A 1435 1439 0 0 - 3.400000e-011441 1439 C2 SLES 1 -3.61514 -33.4521 54.4314 CC32A 1438 1440 1441 1442 - 1.000000e-021442 1440 H2A SLES 1 -4.72129 -33.5367 54.6333 HCA2 1439 0 0 0 9.000000e-021443 1441 H2B SLES 1 -3.24935 -34.4361 54.0552 HCA2 1439 0 0 0 9.000000e-021444 1442 C1 SLES 1 -3.18288 -32.0694 53.8214 CC32A 1439 1443 1444 1445 - 1.000000e-021445 1443 H1B SLES 1 -4.23678 -31.7847 53.7034 HCA2 1442 0 0 0 9.000000e-021446 1444 H1A SLES 1 -2.59801 -32.7739 53.1257 HCA2 1442 0 0 0 9.000000e-021447 1445 O1 SLES 1 -2.68454 -31.1288 52.9054 OC30A 1442 1446 0 0 - 3.400000e-011448 1446 C1 SLES 1 -3.28049 -31.0666 51.6174 CTL2 1445 1447 1448 1449 - 1.800000e-011449 1447 H11 SLES 1 -4.40582 -31.0477 51.5938 HAL2 1446 0 0 0 9.000000e-021450 1448 H12 SLES 1 -2.95422 -31.9371 50.9943 HAL2 1446 0 0 0 9.000000e-021451 1449 C2 SLES 1 -2.68044 -29.747 51.1343 CTL2 1446 1450 1451 1452 - 1.800000e-011452 1450 H21 SLES 1 -3.04041 -28.8583 51.7064 HAL2 1449 0 0 0 9.000000e-021453 1451 H22 SLES 1 -1.56315 -29.7485 51.1315 HAL2 1449 0 0 0 9.000000e-021454 1452 C3 SLES 1 -3.16164 -29.6556 49.7427 CTL2 1449 1453 1454 1455 - 1.800000e-011455 1453 H31 SLES 1 -4.28265 -29.6619 49.8245 HAL2 1452 0 0 0 9.000000e-021456 1454 H32 SLES 1 -2.76645 -30.5804 49.2383 HAL2 1452 0 0 0 9.000000e-021457 1455 C4 SLES 1 -2.79511 -28.4998 48.8694 CTL2 1452 1456 1457 1458 - 1.800000e-011458 1456 H41 SLES 1 -3.15688 -27.5335 49.2998 HAL2 1455 0 0 0 9.000000e-021459 1457 H42 SLES 1 -1.69042 -28.4253 48.7352 HAL2 1455 0 0 0 9.000000e-021460 1458 C5 SLES 1 -3.54811 -28.9382 47.6061 CTL2 1455 1459 1460 1461 - 1.800000e-011461 1459 H51 SLES 1 -4.64169 -29.0665 47.8244 HAL2 1458 0 0 0 9.000000e-021462 1460 H52 SLES 1 -3.19215 -29.9463 47.2665 HAL2 1458 0 0 0 9.000000e-021463 1461 C6 SLES 1 -3.46224 -28.0555 46.4371 CTL2 1458 1462 1463 1464 - 1.800000e-011464 1462 H61 SLES 1 -4.52058 -27.8036 46.1554 HAL2 1461 0 0 0 9.000000e-021465 1463 H62 SLES 1 -3.06691 -28.6857 45.5958 HAL2 1461 0 0 0 9.000000e-021466 1464 C7 SLES 1 -2.62694 -26.7788 46.5921 CTL2 1461 1465 1466 1467 - 1.800000e-011467 1465 H71 SLES 1 -3.01812 -26.0716 47.3611 HAL2 1464 0 0 0 9.000000e-021468 1466 H72 SLES 1 -1.54657 -26.9649 46.7943 HAL2 1464 0 0 0 9.000000e-021469 1467 C8 SLES 1 -2.80942 -26.2133 45.2303 CTL2 1464 1468 1469 1470 - 1.800000e-011470 1468 H81 SLES 1 -3.91817 -26.0743 45.0907 HAL2 1467 0 0 0 9.000000e-021471 1469 H82 SLES 1 -2.41542 -26.9875 44.5121 HAL2 1467 0 0 0 9.000000e-021472 1470 C9 SLES 1 -2.16863 -24.9221 44.8575 CTL2 1467 1471 1472 1473 - 1.800000e-011473 1471 H91 SLES 1 -2.53614 -24.1054 45.5183 HAL2 1470 0 0 0 9.000000e-021474 1472 H92 SLES 1 -1.06214 -25.0012 44.9503 HAL2 1470 0 0 0 9.000000e-021475 1473 C10 SLES 1 -2.64449 -24.789 43.4123 CTL2 1470 1474 1475 1476 - 1.800000e-011476 1474 H10 SLES 1 -3.76747 -24.7896 43.3784 HAL2 1473 0 0 0 9.000000e-021477 1475 H10 SLES 1 -2.3042 -25.6782 42.8149 HAL2 1473 0 0 0 9.000000e-021478 1476 C11 SLES 1 -2.17329 -23.5625 42.7009 CTL2 1473 1477 1478 1479 - 1.800000e-011479 1477 H11 SLES 1 -2.53112 -22.6823 43.2844 HAL2 1476 0 0 0 9.000000e-021480 1478 H11 SLES 1 -1.05884 -23.5762 42.7179 HAL2 1476 0 0 0 9.000000e-021481 1479 C12 SLES 1 -2.72433 -23.5628 41.2722 CTL3 1476 1480 1481 1482 - 2.700000e-011482 1480 H12 SLES 1 -3.37248 -22.6788 41.1152 HAL3 1479 0 0 0 9.000000e-021483 1481 H12 SLES 1 -1.8902 -23.5792 40.5439 HAL3 1479 0 0 0 9.000000e-021484 1482 H12 SLES 1 -3.35259 -24.4621 41.0579 HAL3 1479 0 0 0 9.000000e-021485 1483 NA SLES 1 12.8569 -34.0724 60.3416 NA 0 0 0 0 1 .000000e+001486 1484 S SLES 1 10.8181 -35.4102 58.545 SL 1485 1486 1487 1488 1.33 0000e+001487 1485 OS1 SLES 1 11.1459 -34.1442 57.8676 OSL 1484 1489 0 0 - 2.800000e-011488 1486 OS2 SLES 1 10.4219 -34.7006 59.7409 O2L 1484 0 0 0 - 6.500000e-011489 1487 OS3 SLES 1 12.2021 -35.8229 58.5079 O2L 1484 0 0 0 - 6.500000e-011490 1488 OS4 SLES 1 9.83642 -36.0738 57.734 O2L 1484 0 0 0 - 6.500000e-011491 1489 C2 SLES 1 10.6635 -33.6781 56.6712 CC32A 1485 1490 1491 1492 - 1.100000e-011492 1490 H2A SLES 1 9.54869 -33.5578 56.7118 HCA2 1489 0 0 0 9.000000e-021493 1491 H2B SLES 1 10.9398 -34.3689 55.831 HCA2 1489 0 0 0 9.000000e-021494 1492 C1 SLES 1 11.3759 -32.3142 56.5452 CC32A 1489 1493 1494 1495 - 1.000000e-021495 1493 H1B SLES 1 11.1172 -31.6458 57.407 HCA2 1492 0 0 0 9.000000e-021496 1494 H1A SLES 1 12.4854 -32.4461 56.5151 HCA2 1492 0 0 0 9.000000e-021497 1495 O1 SLES 1 11.1201 -31.527 55.4276 OC30A 1492 1496 0 0 - 3.400000e-011498 1496 C2 SLES 1 10.1981 -32.0129 54.4692 CC32A 1495 1497 1498 1499 - 1.000000e-021499 1497 H2A SLES 1 9.18837 -32.1782 54.9432 HCA2 1496 0 0 0 9.000000e-021500 1498 H2B SLES 1 10.5428 -32.9776 54.0288 HCA2 1496 0 0 0 9.000000e-021501 1499 C1 SLES 1 10.3438 -30.6234 53.7488 CC32A 1496 1500 1501 1502 - 1.000000e-021502 1500 H1B SLES 1 9.27306 -30.4285 53.8942 HCA2 1499 0 0 0 9.000000e-021503 1501 H1A SLES 1 10.7963 -31.304 52.9398 HCA2 1499 0 0 0 9.000000e-021504 1502 O1 SLES 1 10.5156 -29.6804 52.7225 OC30A 1499 1503 0 0 - 3.400000e-011505 1503 C1 SLES 1 9.61531 -29.7135 51.6242 CTL2 1502 1504 1505 1506 - 1.800000e-011506 1504 H11 SLES 1 8.52213 -29.7855 51.8831 HAL2 1503 0 0 0 9.000000e-021507 1505 H12 SLES 1 9.85074 -30.5774 50.9529 HAL2 1503 0 0 0 9.000000e-021508 1506 C2 SLES 1 9.95991 -28.3687 50.9855 CTL2 1503 1507 1508 1509 - 1.800000e-011509 1507 H21 SLES 1 9.67775 -27.4913 51.6156 HAL2 1506 0 0 0 9.000000e-021510 1508 H22 SLES 1 11.0373 -28.281 50.7028 HAL2 1506 0 0 0 9.000000e-021511 1509 C3 SLES 1 9.1421 -28.3675 49.7577 CTL2 1506 1510 1511 1512 - 1.800000e-011512 1510 H31 SLES 1 8.08142 -28.4604 50.1179 HAL2 1509 0 0 0 9.000000e-021513 1511 H32 SLES 1 9.47819 -29.2756 49.1849 HAL2 1509 0 0 0 9.000000e-021514 1512 C4 SLES 1 9.17866 -27.2189 48.8024 CTL2 1509 1513 1514 1515 - 1.800000e-011515 1513 H41 SLES 1 8.85283 -26.2695 49.2946 HAL2 1512 0 0 0 9.000000e-021516 1514 H42 SLES 1 10.2047 -27.0614 48.3945 HAL2 1512 0 0 0 9.000000e-021517 1515 C5 SLES 1 8.17637 -27.7624 47.7752 CTL2 1512 1516 1517 1518 - 1.800000e-011518 1516 H51 SLES 1 7.18665 -27.9696 48.2626 HAL2 1515 0 0 0 9.000000e-021519 1517 H52 SLES 1 8.52276 -28.7506 47.373 HAL2 1515 0 0 0 9.000000e-021520 1518 C6 SLES 1 7.89237 -26.9192 46.6083 CTL2 1515 1519 1520 1521 - 1.800000e-011521 1519 H61 SLES 1 6.77951 -26.7633 46.5969 HAL2 1518 0 0 0 9.000000e-021522 1520 H62 SLES 1 8.11941 -27.5464 45.7047 HAL2 1518 0 0 0 9.000000e-021523 1521 C7 SLES 1 8.62615 -25.575 46.529 CTL2 1518 1522 1523 1524 - 1.800000e-011524 1522 H71 SLES 1 8.37851 -24.8735 47.3604 HAL2 1521 0 0 0 9.000000e-021525 1523 H72 SLES 1 9.73483 -25.6665 46.4569 HAL2 1521 0 0 0 9.000000e-021526 1524 C8 SLES 1 8.06286 -25.0764 45.2478 CTL2 1521 1525 1526 1527 - 1.800000e-011527 1525 H81 SLES 1 6.94645 -25.0317 45.3883 HAL2 1524 0 0 0 9.000000e-021528 1526 H82 SLES 1 8.33167 -25.8425 44.466 HAL2 1524 0 0 0 9.000000e-021529 1527 C9 SLES 1 8.47661 -23.7527 44.7061 CTL2 1524 1528 1529 1530 - 1.800000e-011530 1528 H91 SLES 1 8.21545 -22.9443 45.4251 HAL2 1527 0 0 0 9.000000e-021531 1529 H92 SLES 1 9.57403 -23.7396 44.5198 HAL2 1527 0 0 0 9.000000e-021532 1530 C10 SLES 1 7.64703 -23.7114 43.4244 CTL2 1527 1531 1532 1533 - 1.800000e-011533 1531 H10 SLES 1 6.55522 -23.803 43.673 HAL2 1530 0 0 0 9.000000e-021534 1532 H10 SLES 1 7.90396 -24.5919 42.7747 HAL2 1530 0 0 0 9.000000e-021535 1533 C11 SLES 1 7.81867 -22.4781 42.5985 CTL2 1530 1534 1535 1536 - 1.800000e-011536 1534 H11 SLES 1 7.54212 -21.6085 43.2392 HAL2 1533 0 0 0 9.000000e-021537 1535 H11 SLES 1 8.89926 -22.402 42.3358 HAL2 1533 0 0 0 9.000000e-021538 1536 C12 SLES 1 6.93219 -22.5751 41.3537 CTL3 1533 1537 1538 1539 - 2.700000e-011539 1537 H12 SLES 1 6.1913 -21.7521 41.3503 HAL3 1536 0 0 0 9.000000e-021540 1538 H12 SLES 1 7.55745 -22.5515 40.4399 HAL3 1536 0 0 0 9.000000e-021541 1539 H12 SLES 1 6.35073 -23.529 41.3178 HAL3 1536 0 0 0 9.000000e-021542 1540 NA SLES 1 26.2712 -26.1426 59.8591 NA 0 0 0 0 1 .000000e+001543 1541 S SLES 1 24.0378 -27.8484 58.7294 SL 1542 1543 1544 1545 1.33 0000e+001544 1542 OS1 SLES 1 24.0899 -26.6655 57.8535 OSL 1541 1546 0 0 - 2.800000e-011545 1543 OS2 SLES 1 23.8371 -27.0135 59.8926 O2L 1541 0 0 0 - 6.500000e-011546 1544 OS3 SLES 1 25.416 -28.1653 58.4333 O2L 1541 0 0 0 - 6.500000e-011547 1545 OS4 SLES 1 22.9758 -28.6817 58.2399 O2L 1541 0 0 0 - 6.500000e-011548 1546 C2 SLES 1 23.322 -26.3993 56.7487 CC32A 1542 1547 1548 1549 - 1.100000e-011549 1547 H2A SLES 1 22.2349 -26.3524 57.0221 HCA2 1546 0 0 0 9.000000e-021550 1548 H2B SLES 1 23.4798 -27.1761 55.9542 HCA2 1546 0 0 0 9.000000e-021551 1549 C1 SLES 1 23.8556 -25.0187 56.3096 CC32A 1546 1550 1551 1552 - 1.000000e-021552 1550 H1B SLES 1 23.7217 -24.2599 57.1237 HCA2 1549 0 0 0 9.000000e-021553 1551 H1A SLES 1 24.9409 -25.0761 56.0488 HCA2 1549 0 0 0 9.000000e-021554 1552 O1 SLES 1 23.2935 -24.4088 55.1933 OC30A 1549 1553 0 0 - 3.400000e-011555 1553 C2 SLES 1 22.2409 -25.0822 54.5273 CC32A 1552 1554 1555 1556 - 1.000000e-021556 1554 H2A SLES 1 21.3756 -25.2519 55.23 HCA2 1553 0 0 0 9.000000e-021557 1555 H2B SLES 1 22.5765 -26.0712 54.1364 HCA2 1553 0 0 0 9.000000e-021558 1556 C1 SLES 1 22.0949 -23.7957 53.636 CC32A 1553 1557 1558 1559 - 1.000000e-021559 1557 H1B SLES 1 21.0656 -23.6577 53.9924 HCA2 1556 0 0 0 9.000000e-021560 1558 H1A SLES 1 22.4296 -24.5459 52.8313 HCA2 1556 0 0 0 9.000000e-021561 1559 O1 SLES 1 21.9528 -22.9898 52.4948 OC30A 1556 1560 0 0 - 3.400000e-011562 1560 C1 SLES 1 20.8478 -23.2329 51.6359 CTL2 1559 1561 1562 1563 - 1.800000e-011563 1561 H11 SLES 1 19.8466 -23.3451 52.1382 HAL2 1560 0 0 0 9.000000e-021564 1562 H12 SLES 1 21.0184 -24.1609 51.0341 HAL2 1560 0 0 0 9.000000e-021565 1563 C2 SLES 1 20.9168 -21.9657 50.7846 CTL2 1560 1564 1565 1566 - 1.800000e-011566 1564 H21 SLES 1 20.6908 -21.0331 51.3554 HAL2 1563 0 0 0 9.000000e-021567 1565 H22 SLES 1 21.8961 -21.8423 50.261 HAL2 1563 0 0 0 9.000000e-021568 1566 C3 SLES 1 19.8612 -22.1866 49.7781 CTL2 1563 1567 1568 1569 - 1.800000e-011569 1567 H31 SLES 1 18.9152 -22.3036 50.3736 HAL2 1566 0 0 0 9.000000e-021570 1568 H32 SLES 1 20.1549 -23.138 49.2543 HAL2 1566 0 0 0 9.000000e-021571 1569 C4 SLES 1 19.5827 -21.1774 48.7118 CTL2 1566 1570 1571 1572 - 1.800000e-011572 1570 H41 SLES 1 19.2779 -20.1953 49.1503 HAL2 1569 0 0 0 9.000000e-021573 1571 H42 SLES 1 20.4787 -21.0053 48.0703 HAL2 1569 0 0 0 9.000000e-021574 1572 C5 SLES 1 18.4431 -21.9225 48.0037 CTL2 1569 1573 1574 1575 - 1.800000e-011575 1573 H51 SLES 1 17.6041 -22.1304 48.7198 HAL2 1572 0 0 0 9.000000e-021576 1574 H52 SLES 1 18.7908 -22.9294 47.6521 HAL2 1572 0 0 0 9.000000e-021577 1575 C6 SLES 1 17.8377 -21.2659 46.8394 CTL2 1572 1576 1577 1578 - 1.800000e-011578 1576 H61 SLES 1 16.738 -21.1906 47.058 HAL2 1575 0 0 0 9.000000e-021579 1577 H62 SLES 1 17.9279 -21.9917 45.9871 HAL2 1575 0 0 0 9.000000e-021580 1578 C7 SLES 1 18.4038 -19.8969 46.4431 CTL2 1575 1579 1580 1581 - 1.800000e-011581 1579 H71 SLES 1 18.2711 -19.1088 47.2214 HAL2 1578 0 0 0 9.000000e-021582 1580 H72 SLES 1 19.4756 -19.9201 46.1372 HAL2 1578 0 0 0 9.000000e-021583 1581 C8 SLES 1 17.5361 -19.6157 45.2703 CTL2 1578 1582 1583 1584 - 1.800000e-011584 1582 H81 SLES 1 16.4759 -19.6301 45.6497 HAL2 1581 0 0 0 9.000000e-021585 1583 H82 SLES 1 17.7062 -20.4596 44.5428 HAL2 1581 0 0 0 9.000000e-021586 1584 C9 SLES 1 17.695 -18.3514 44.5 CTL2 1581 1585 1586 1587 - 1.800000e-011587 1585 H91 SLES 1 17.5148 -17.4737 45.1602 HAL2 1584 0 0 0 9.000000e-021588 1586 H92 SLES 1 18.7214 -18.2874 44.074 HAL2 1584 0 0 0 9.000000e-021589 1587 C10 SLES 1 16.6126 -18.5408 43.4393 CTL2 1584 1588 1589 1590 - 1.800000e-011590 1588 H10 SLES 1 15.6125 -18.6737 43.9336 HAL2 1587 0 0 0 9.000000e-021591 1589 H10 SLES 1 16.8103 -19.4808 42.8556 HAL2 1587 0 0 0 9.000000e-021592 1590 C11 SLES 1 16.4846 -17.421 42.4583 CTL2 1587 1591 1592 1593 - 1.800000e-011593 1591 H11 SLES 1 16.267 -16.4944 43.0389 HAL2 1590 0 0 0 9.000000e-021594 1592 H11 SLES 1 17.4724 -17.3062 41.9547 HAL2 1590 0 0 0 9.000000e-021595 1593 C12 SLES 1 15.3682 -17.7461 41.4619 CTL3 1590 1594 1595 1596 - 2.700000e-011596 1594 H12 SLES 1 14.567 -16.9845 41.528 HAL3 1593 0 0 0 9.000000e-021597 1595 H12 SLES 1 15.7802 -17.8024 40.4356 HAL3 1593 0 0 0 9.000000e-021598 1596 H12 SLES 1 14.8878 -18.7342 41.6675 HAL3 1593 0 0 0 9.000000e-021599 1597 NA SLES 1 35.2479 -13.4918 59.3361 NA 0 0 0 0 1 .000000e+001600 1598 S SLES 1 33.0583 -15.5442 58.9267 SL 1599 1600 1601 1602 1.33 0000e+001601 1599 OS1 SLES 1 32.8715 -14.57 57.838 OSL 1598 1603 0 0 - 2.800000e-011602 1600 OS2 SLES 1 32.9398 -14.5 59.9198 O2L 1598 0 0 0 - 6.500000e-011603 1601 OS3 SLES 1 34.4065 -15.8214 58.4873 O2L 1598 0 0 0 - 6.500000e-011604 1602 OS4 SLES 1 32.026 -16.5318 58.7826 O2L 1598 0 0 0 - 6.500000e-011605 1603 C2 SLES 1 31.9352 -14.5937 56.8361 CC32A 1599 1604 1605 1606 - 1.100000e-011606 1604 H2A SLES 1 30.8972 -14.5647 57.2612 HCA2 1603 0 0 0 9.000000e-021607 1605 H2B SLES 1 32.0569 -15.507 56.1952 HCA2 1603 0 0 0 9.000000e-021608 1606 C1 SLES 1 32.2639 -13.3025 56.0563 CC32A 1603 1607 1608 1609 - 1.000000e-021609 1607 H1B SLES 1 32.1702 -12.4011 56.7159 HCA2 1606 0 0 0 9.000000e-021610 1608 H1A SLES 1 33.3028 -13.3392 55.6458 HCA2 1606 0 0 0 9.000000e-021611 1609 O1 SLES 1 31.4949 -12.9794 54.9434 OC30A 1606 1610 0 0 - 3.400000e-011612 1610 C2 SLES 1 30.4316 -13.8472 54.5955 CC32A 1609 1611 1612 1613 - 1.000000e-021613 1611 H2A SLES 1 29.6932 -13.9246 55.4442 HCA2 1610 0 0 0 9.000000e-021614 1612 H2B SLES 1 30.8055 -14.8709 54.3593 HCA2 1610 0 0 0 9.000000e-021615 1613 C1 SLES 1 30.0372 -12.7886 53.5025 CC32A 1610 1614 1615 1616 - 1.000000e-021616 1614 H1B SLES 1 29.0588 -12.6496 53.9811 HCA2 1613 0 0 0 9.000000e-021617 1615 H1A SLES 1 30.3292 -13.666 52.8189 HCA2 1613 0 0 0 9.000000e-021618 1616 O1 SLES 1 29.6593 -12.2509 52.2615 OC30A 1613 1617 0 0 - 3.400000e-011619 1617 C1 SLES 1 28.4751 -12.7429 51.6504 CTL2 1616 1618 1619 1620 - 1.800000e-011620 1618 H11 SLES 1 27.5694 -12.8155 52.3149 HAL2 1617 0 0 0 9.000000e-021621 1619 H12 SLES 1 28.6511 -13.7625 51.2238 HAL2 1617 0 0 0 9.000000e-021622 1620 C2 SLES 1 28.3001 -11.6803 50.5664 CTL2 1617 1621 1622 1623 - 1.800000e-011623 1621 H21 SLES 1 28.0647 -10.6665 50.9707 HAL2 1620 0 0 0 9.000000e-021624 1622 H22 SLES 1 29.1802 -11.6028 49.8824 HAL2 1620 0 0 0 9.000000e-021625 1623 C3 SLES 1 27.1419 -12.1781 49.8003 CTL2 1620 1624 1625 1626 - 1.800000e-011626 1624 H31 SLES 1 26.3039 -12.232 50.5474 HAL2 1623 0 0 0 9.000000e-021627 1625 H32 SLES 1 27.4523 -13.1958 49.4346 HAL2 1623 0 0 0 9.000000e-021628 1626 C4 SLES 1 26.62 -11.4357 48.6131 CTL2 1623 1627 1628 1629 - 1.800000e-011629 1627 H41 SLES 1 26.2837 -10.4067 48.892 HAL2 1626 0 0 0 9.000000e-021630 1628 H42 SLES 1 27.3968 -11.3411 47.8185 HAL2 1626 0 0 0 9.000000e-021631 1629 C5 SLES 1 25.4721 -12.3882 48.2521 CTL2 1626 1630 1631 1632 - 1.800000e-011632 1630 H51 SLES 1 24.7653 -12.4983 49.1172 HAL2 1629 0 0 0 9.000000e-021633 1631 H52 SLES 1 25.8651 -13.4204 48.0556 HAL2 1629 0 0 0 9.000000e-021634 1632 C6 SLES 1 24.6492 -12.0325 47.0904 CTL2 1629 1633 1634 1635 - 1.800000e-011635 1633 H61 SLES 1 23.5884 -11.9882 47.4588 HAL2 1632 0 0 0 9.000000e-021636 1634 H62 SLES 1 24.6912 -12.9128 46.3942 HAL2 1632 0 0 0 9.000000e-021637 1635 C7 SLES 1 25.0171 -10.7415 46.3492 CTL2 1632 1636 1637 1638 - 1.800000e-011638 1636 H71 SLES 1 24.9167 -9.81888 46.9683 HAL2 1635 0 0 0 9.000000e-021639 1637 H72 SLES 1 26.033 -10.7551 45.8904 HAL2 1635 0 0 0 9.000000e-021640 1638 C8 SLES 1 23.9714 -10.7715 45.2941 CTL2 1635 1639 1640 1641 - 1.800000e-011641 1639 H81 SLES 1 22.9808 -10.7784 45.8296 HAL2 1638 0 0 0 9.000000e-021642 1640 H82 SLES 1 24.1212 -11.7354 44.7293 HAL2 1638 0 0 0 9.000000e-021643 1641 C9 SLES 1 23.8965 -9.68865 44.275 CTL2 1638 1642 1643 1644 - 1.800000e-011644 1642 H91 SLES 1 23.7242 -8.70655 44.7695 HAL2 1641 0 0 0 9.000000e-021645 1643 H92 SLES 1 24.8425 -9.64544 43.6898 HAL2 1641 0 0 0 9.000000e-021646 1644 C10 SLES 1 22.7013 -10.169 43.4544 CTL2 1641 1645 1646 1647 - 1.800000e-011647 1645 H10 SLES 1 21.7975 -10.2632 44.1151 HAL2 1644 0 0 0 9.000000e-021648 1646 H10 SLES 1 22.9077 -11.1946 43.0435 HAL2 1644 0 0 0 9.000000e-021649 1647 C11 SLES 1 22.3286 -9.29059 42.3046 CTL2 1644 1648 1649 1650 - 1.800000e-011650 1648 H11 SLES 1 22.1035 -8.28004 42.7183 HAL2 1647 0 0 0 9.000000e-021651 1649 H11 SLES 1 23.2207 -9.2167 41.6404 HAL2 1647 0 0 0 9.000000e-021652 1650 C12 SLES 1 21.1222 -9.89209 41.5783 CTL3 1647 1651 1652 1653 - 2.700000e-011653 1651 H12 SLES 1 20.2669 -9.18994 41.6175 HAL3 1650 0 0 0 9.000000e-021654 1652 H12 SLES 1 21.3912 -10.1337 40.5316 HAL3 1650 0 0 0 9.000000e-021655 1653 H12 SLES 1 20.7747 -10.8457 42.0466 HAL3 1650 0 0 0 9.000000e-021656 1654 NA SLES 1 49.3873 1.64418 47.3182 NA 0 0 0 0 1 .000000e+001657 1655 S SLES 1 47.5064 -0.607557 48.0705 SL 1656 1657 1658 1659 1.33 0000e+001658 1656 OS1 SLES 1 46.8673 0.0495181 46.9176 OSL 1655 1660 0 0 - 2.800000e-011659 1657 OS2 SLES 1 47.5268 0.637759 48.805 O2L 1655 0 0 0 - 6.500000e-011660 1658 OS3 SLES 1 48.694 -0.880562 47.2945 O2L 1655 0 0 0 - 6.500000e-011661 1659 OS4 SLES 1 46.6367 -1.67631 48.4746 O2L 1655 0 0 0 - 6.500000e-011662 1660 C2 SLES 1 45.6946 -0.293442 46.2944 CC32A 1656 1661 1662 1663 - 1.100000e-011663 1661 H2A SLES 1 44.8331 -0.239842 47.0112 HCA2 1660 0 0 0 9.000000e-021664 1662 H2B SLES 1 45.7599 -1.32482 45.8568 HCA2 1660 0 0 0 9.000000e-021665 1663 C1 SLES 1 45.5852 0.785828 45.1959 CC32A 1660 1664 1665 1666 - 1.000000e-021666 1664 H1B SLES 1 45.5536 1.81251 45.6445 HCA2 1663 0 0 0 9.000000e-021667 1665 H1A SLES 1 46.453 0.728524 44.4939 HCA2 1663 0 0 0 9.000000e-021668 1666 O1 SLES 1 44.4864 0.763312 44.3436 OC30A 1663 1667 0 0 - 3.400000e-011669 1667 C2 SLES 1 43.5104 -0.242648 44.5438 CC32A 1666 1668 1669 1670 - 1.000000e-021670 1668 H2A SLES 1 43.071 -0.164001 45.5793 HCA2 1667 0 0 0 9.000000e-021671 1669 H2B SLES 1 43.9482 -1.26114 44.4233 HCA2 1667 0 0 0 9.000000e-021672 1670 C1 SLES 1 42.6613 0.478817 43.4351 CC32A 1667 1671 1672 1673 - 1.000000e-021673 1671 H1B SLES 1 41.8551 0.65649 44.159 HCA2 1670 0 0 0 9.000000e-021674 1672 H1A SLES 1 42.8697 -0.515444 42.8962 HCA2 1670 0 0 0 9.000000e-021675 1673 O1 SLES 1 41.8627 0.661847 42.2945 OC30A 1670 1674 0 0 - 3.400000e-011676 1674 C1 SLES 1 40.6396 -0.0556061 42.2104 CTL2 1673 1675 1676 1677 - 1.800000e-011677 1675 H11 SLES 1 39.9878 -0.0306716 43.128 HAL2 1674 0 0 0 9.000000e-021678 1676 H12 SLES 1 40.8345 -1.13244 41.9761 HAL2 1674 0 0 0 9.000000e-021679 1677 C2 SLES 1 39.9998 0.688909 41.0394 CTL2 1674 1678 1679 1680 - 1.800000e-011680 1678 H21 SLES 1 39.7432 1.75006 41.2733 HAL2 1677 0 0 0 9.000000e-021681 1679 H22 SLES 1 40.6209 0.661981 40.111 HAL2 1677 0 0 0 9.000000e-021682 1680 C3 SLES 1 38.757 -0.0705721 40.805 CTL2 1677 1681 1682 1683 - 1.800000e-011683 1681 H31 SLES 1 38.1905 -0.00200562 41.7734 HAL2 1680 0 0 0 9.000000e-021684 1682 H32 SLES 1 39.0964 -1.1202 40.5838 HAL2 1680 0 0 0 9.000000e-021685 1683 C4 SLES 1 37.8074 0.312422 39.7167 CTL2 1680 1684 1685 1686 - 1.800000e-011686 1684 H41 SLES 1 37.4167 1.34952 39.8635 HAL2 1683 0 0 0 9.000000e-021687 1685 H42 SLES 1 38.2962 0.266707 38.7153 HAL2 1683 0 0 0 9.000000e-021688 1686 C5 SLES 1 36.7603 -0.785032 39.9497 CTL2 1683 1687 1688 1689 - 1.800000e-011689 1687 H51 SLES 1 36.3604 -0.731426 40.9972 HAL2 1686 0 0 0 9.000000e-021690 1688 H52 SLES 1 37.229 -1.8004 39.8616 HAL2 1686 0 0 0 9.000000e-021691 1689 C6 SLES 1 35.5914 -0.792326 39.0625 CTL2 1686 1690 1691 1692 - 1.800000e-011692 1690 H61 SLES 1 34.6896 -0.739757 39.7309 HAL2 1689 0 0 0 9.000000e-021693 1691 H62 SLES 1 35.5605 -1.81162 38.592 HAL2 1689 0 0 0 9.000000e-021694 1692 C7 SLES 1 35.5303 0.29928 37.9872 CTL2 1689 1693 1694 1695 - 1.800000e-011695 1693 H71 SLES 1 35.4774 1.33595 38.396 HAL2 1692 0 0 0 9.000000e-021696 1694 H72 SLES 1 36.3589 0.250531 37.2431 HAL2 1692 0 0 0 9.000000e-021697 1695 C8 SLES 1 34.2398 -0.0712677 37.351 CTL2 1692 1696 1697 1698 - 1.800000e-011698 1696 H81 SLES 1 33.4605 -0.0213796 38.1624 HAL2 1695 0 0 0 9.000000e-021699 1697 H82 SLES 1 34.3614 -1.13052 36.9854 HAL2 1695 0 0 0 9.000000e-021700 1698 C9 SLES 1 33.7105 0.716524 36.2038 CTL2 1695 1699 1700 1701 - 1.800000e-011701 1699 H91 SLES 1 33.5444 1.77424 36.5077 HAL2 1698 0 0 0 9.000000e-021702 1700 H92 SLES 1 34.4277 0.685989 35.353 HAL2 1698 0 0 0 9.000000e-021703 1701 C10 SLES 1 32.4142 -0.0423176 35.9272 CTL2 1698 1702 1703 1704 - 1.800000e-011704 1702 H10 SLES 1 31.7664 -0.0391775 36.8451 HAL2 1701 0 0 0 9.000000e-021705 1703 H10 SLES 1 32.6433 -1.11881 35.6988 HAL2 1701 0 0 0 9.000000e-021706 1704 C11 SLES 1 31.5962 0.492708 34.7971 CTL2 1701 1705 1706 1707 - 1.800000e-011707 1705 H11 SLES 1 31.3524 1.55386 35.0372 HAL2 1704 0 0 0 9.000000e-021708 1706 H11 SLES 1 32.2349 0.468091 33.8839 HAL2 1704 0 0 0 9.000000e-021709 1707 C12 SLES 1 30.3348 -0.360704 34.6368 CTL3 1704 1708 1709 1710 - 2.700000e-011710 1708 H12 SLES 1 29.4329 0.261463 34.7964 HAL3 1707 0 0 0 9.000000e-021711 1709 H12 SLES 1 30.3208 -0.832578 33.6351 HAL3 1707 0 0 0 9.000000e-021712 1710 H12 SLES 1 30.2855 -1.19245 35.3819 HAL3 1707 0 0 0 9.000000e-021713 1711 NA SLES 1 46.8651 16.4648 46.9638 NA 0 0 0 0 1 .000000e+001714 1712 S SLES 1 45.2182 14.2439 48.2004 SL 1713 1714 1715 1716 1.33 0000e+001715 1713 OS1 SLES 1 44.5702 14.5197 46.9069 OSL 1712 1717 0 0 - 2.800000e-011716 1714 OS2 SLES 1 45.0562 15.6219 48.6074 O2L 1712 0 0 0 - 6.500000e-011717 1715 OS3 SLES 1 46.469 13.9424 47.5433 O2L 1712 0 0 0 - 6.500000e-011718 1716 OS4 SLES 1 44.4569 13.204 48.8336 O2L 1712 0 0 0 - 6.500000e-011719 1717 C2 SLES 1 43.4796 13.8937 46.3592 CC32A 1713 1718 1719 1720 - 1.100000e-011720 1718 H2A SLES 1 42.5806 14.0104 47.0204 HCA2 1717 0 0 0 9.000000e-021721 1719 H2B SLES 1 43.6863 12.8037 46.1894 HCA2 1717 0 0 0 9.000000e-021722 1720 C1 SLES 1 43.3054 14.6548 45.0273 CC32A 1717 1721 1722 1723 - 1.000000e-021723 1721 H1B SLES 1 43.1321 15.7471 45.2097 HCA2 1720 0 0 0 9.000000e-021724 1722 H1A SLES 1 44.2103 14.5389 44.3816 HCA2 1720 0 0 0 9.000000e-021725 1723 O1 SLES 1 42.2636 14.2914 44.1808 OC30A 1720 1724 0 0 - 3.400000e-011726 1724 C2 SLES 1 41.4003 13.2496 44.5985 CC32A 1723 1725 1726 1727 - 1.000000e-021727 1725 H2A SLES 1 40.9003 13.5197 45.5724 HCA2 1724 0 0 0 9.000000e-021728 1726 H2B SLES 1 41.9582 12.2947 44.7417 HCA2 1724 0 0 0 9.000000e-021729 1727 C1 SLES 1 40.5342 13.5718 43.3269 CC32A 1724 1728 1729 1730 - 1.000000e-021730 1728 H1B SLES 1 39.6755 13.8166 43.966 HCA2 1727 0 0 0 9.000000e-021731 1729 H1A SLES 1 40.884 12.5111 43.0533 HCA2 1727 0 0 0 9.000000e-021732 1730 O1 SLES 1 39.7818 13.3743 42.1578 OC30A 1727 1731 0 0 - 3.400000e-011733 1731 C1 SLES 1 38.6555 12.5112 42.2233 CTL2 1730 1732 1733 1734 - 1.800000e-011734 1732 H11 SLES 1 37.9572 12.6747 43.091 HAL2 1731 0 0 0 9.000000e-021735 1733 H12 SLES 1 38.9851 11.4425 42.2647 HAL2 1731 0 0 0 9.000000e-021736 1734 C2 SLES 1 37.9977 12.8666 40.8906 CTL2 1731 1735 1736 1737 - 1.800000e-011737 1735 H21 SLES 1 37.6087 13.9125 40.8512 HAL2 1734 0 0 0 9.000000e-021738 1736 H22 SLES 1 38.6664 12.6948 40.0122 HAL2 1734 0 0 0 9.000000e-021739 1737 C3 SLES 1 36.8647 11.9244 40.8203 CTL2 1734 1738 1739 1740 - 1.800000e-011740 1738 H31 SLES 1 36.2433 12.1528 41.7286 HAL2 1737 0 0 0 9.000000e-021741 1739 H32 SLES 1 37.3338 10.9031 40.8712 HAL2 1737 0 0 0 9.000000e-021742 1740 C4 SLES 1 35.9367 11.9132 39.6492 CTL2 1737 1741 1742 1743 - 1.800000e-011743 1741 H41 SLES 1 35.4221 12.8982 39.528 HAL2 1740 0 0 0 9.000000e-021744 1742 H42 SLES 1 36.4802 11.6892 38.7013 HAL2 1740 0 0 0 9.000000e-021745 1743 C5 SLES 1 35.0118 10.7824 40.1193 CTL2 1740 1744 1745 1746 - 1.800000e-011746 1744 H51 SLES 1 34.5532 11.0361 41.1119 HAL2 1743 0 0 0 9.000000e-021747 1745 H52 SLES 1 35.5982 9.84214 40.2939 HAL2 1743 0 0 0 9.000000e-021748 1746 C6 SLES 1 33.9005 10.4165 39.2336 CTL2 1743 1747 1748 1749 - 1.800000e-011749 1747 H61 SLES 1 32.9642 10.5156 39.8471 HAL2 1746 0 0 0 9.000000e-021750 1748 H62 SLES 1 34.0121 9.3183 39.0267 HAL2 1746 0 0 0 9.000000e-021751 1749 C7 SLES 1 33.7716 11.2012 37.9224 CTL2 1746 1750 1751 1752 - 1.800000e-011752 1750 H71 SLES 1 33.5781 12.2908 38.0632 HAL2 1749 0 0 0 9.000000e-021753 1751 H72 SLES 1 34.6388 11.0785 37.2327 HAL2 1749 0 0 0 9.000000e-021754 1752 C8 SLES 1 32.568 10.5308 37.3661 CTL2 1749 1753 1754 1755 - 1.800000e-011755 1753 H81 SLES 1 31.746 10.6769 38.1218 HAL2 1752 0 0 0 9.000000e-021756 1754 H82 SLES 1 32.8299 9.43835 37.2743 HAL2 1752 0 0 0 9.000000e-021757 1755 C9 SLES 1 32.0135 10.9474 36.0486 CTL2 1752 1756 1757 1758 - 1.800000e-011758 1756 H91 SLES 1 31.711 12.018 36.0799 HAL2 1755 0 0 0 9.000000e-021759 1757 H92 SLES 1 32.7738 10.8027 35.2484 HAL2 1755 0 0 0 9.000000e-021760 1758 C10 SLES 1 30.8297 9.989 35.9358 CTL2 1755 1759 1760 1761 - 1.800000e-011761 1759 H10 SLES 1 30.1379 10.1321 36.8094 HAL2 1758 0 0 0 9.000000e-021762 1760 H10 SLES 1 31.1929 8.92633 35.9838 HAL2 1758 0 0 0 9.000000e-021763 1761 C11 SLES 1 30.0169 10.1304 34.6901 CTL2 1758 1762 1763 1764 - 1.800000e-011764 1762 H11 SLES 1 29.6404 11.1793 34.6568 HAL2 1761 0 0 0 9.000000e-021765 1763 H11 SLES 1 30.702 9.96668 33.8262 HAL2 1761 0 0 0 9.000000e-021766 1764 C12 SLES 1 28.8724 9.11335 34.7142 CTL3 1761 1765 1766 1767 - 2.700000e-011767 1765 H12 SLES 1 27.8977 9.63834 34.695 HAL3 1764 0 0 0 9.000000e-021768 1766 H12 SLES 1 28.9662 8.41646 33.8586 HAL3 1764 0 0 0 9.000000e-021769 1767 H12 SLES 1 28.8794 8.4857 35.6391 HAL3 1764 0 0 0 9.000000e-021770 1768 NA SLES 1 39.964 29.7702 46.7412 NA 0 0 0 0 1 .000000e+001771 1769 S SLES 1 38.4233 27.6646 48.2796 SL 1770 1771 1772 1773 1.33 0000e+001772 1770 OS1 SLES 1 37.9162 27.5714 46.8999 OSL 1769 1774 0 0 - 2.800000e-011773 1771 OS2 SLES 1 38.0648 29.0637 48.3469 O2L 1769 0 0 0 - 6.500000e-011774 1772 OS3 SLES 1 39.7715 27.3985 47.8337 O2L 1769 0 0 0 - 6.500000e-011775 1773 OS4 SLES 1 37.7048 26.6914 49.0533 O2L 1769 0 0 0 - 6.500000e-011776 1774 C2 SLES 1 36.9761 26.7048 46.4034 CC32A 1770 1775 1776 1777 - 1.100000e-011777 1775 H2A SLES 1 35.9943 26.8393 46.9296 HCA2 1774 0 0 0 9.000000e-021778 1776 H2B SLES 1 37.3181 25.6408 46.5053 HCA2 1774 0 0 0 9.000000e-021779 1777 C1 SLES 1 36.8891 27.1361 44.9235 CC32A 1774 1778 1779 1780 - 1.000000e-021780 1778 H1B SLES 1 36.5782 28.2095 44.8366 HCA2 1777 0 0 0 9.000000e-021781 1779 H1A SLES 1 37.8748 27.0065 44.4127 HCA2 1777 0 0 0 9.000000e-021782 1780 O1 SLES 1 36.0063 26.4668 44.0828 OC30A 1777 1781 0 0 - 3.400000e-011783 1781 C2 SLES 1 35.2144 25.4327 44.6381 CC32A 1780 1782 1783 1784 - 1.000000e-021784 1782 H2A SLES 1 34.5705 25.8347 45.4719 HCA2 1781 0 0 0 9.000000e-021785 1783 H2B SLES 1 35.8492 24.6123 45.0474 HCA2 1781 0 0 0 9.000000e-021786 1784 C1 SLES 1 34.4845 25.3603 43.2478 CC32A 1781 1785 1786 1787 - 1.000000e-021787 1785 H1B SLES 1 33.5314 25.6194 43.7276 HCA2 1784 0 0 0 9.000000e-021788 1786 H1A SLES 1 34.9775 24.3214 43.2566 HCA2 1784 0 0 0 9.000000e-021789 1787 O1 SLES 1 33.9097 24.8215 42.0854 OC30A 1784 1788 0 0 - 3.400000e-011790 1788 C1 SLES 1 32.8831 23.8507 42.2332 CTL2 1787 1789 1790 1791 - 1.800000e-011791 1789 H11 SLES 1 32.0684 24.1009 42.9687 HAL2 1788 0 0 0 9.000000e-021792 1790 H12 SLES 1 33.3177 22.8684 42.5471 HAL2 1788 0 0 0 9.000000e-021793 1791 C2 SLES 1 32.3627 23.8251 40.7967 CTL2 1788 1792 1793 1794 - 1.800000e-011794 1792 H21 SLES 1 31.8717 24.7779 40.484 HAL2 1791 0 0 0 9.000000e-021795 1793 H22 SLES 1 33.1505 23.5607 40.0498 HAL2 1791 0 0 0 9.000000e-021796 1794 C3 SLES 1 31.3551 22.7481 40.83 CTL2 1791 1795 1796 1797 - 1.800000e-011797 1795 H31 SLES 1 30.6041 23.0798 41.5977 HAL2 1794 0 0 0 9.000000e-021798 1796 H32 SLES 1 31.921 21.832 41.1562 HAL2 1794 0 0 0 9.000000e-021799 1797 C4 SLES 1 30.5873 22.366 39.6063 CTL2 1794 1798 1799 1800 - 1.800000e-011800 1798 H41 SLES 1 29.9892 23.226 39.2159 HAL2 1797 0 0 0 9.000000e-021801 1799 H42 SLES 1 31.2659 22.0198 38.7917 HAL2 1797 0 0 0 9.000000e-021802 1800 C5 SLES 1 29.7376 21.2486 40.2265 CTL2 1797 1801 1802 1803 - 1.800000e-011803 1801 H51 SLES 1 29.134 21.6443 41.0862 HAL2 1800 0 0 0 9.000000e-021804 1802 H52 SLES 1 30.395 20.4528 40.6657 HAL2 1800 0 0 0 9.000000e-021805 1803 C6 SLES 1 28.7914 20.5595 39.3415 CTL2 1800 1804 1805 1806 - 1.800000e-011806 1804 H61 SLES 1 27.7807 20.6618 39.8219 HAL2 1803 0 0 0 9.000000e-021807 1805 H62 SLES 1 29.0451 19.467 39.4 HAL2 1803 0 0 0 9.000000e-021808 1806 C7 SLES 1 28.744 21.0239 37.8809 CTL2 1803 1807 1808 1809 - 1.800000e-011809 1807 H71 SLES 1 28.4187 22.0832 37.7522 HAL2 1806 0 0 0 9.000000e-021810 1808 H72 SLES 1 29.6987 20.8733 37.3253 HAL2 1806 0 0 0 9.000000e-021811 1809 C8 SLES 1 27.6983 20.0976 37.3749 CTL2 1806 1810 1811 1812 - 1.800000e-011812 1810 H81 SLES 1 26.7774 20.2908 37.9936 HAL2 1809 0 0 0 9.000000e-021813 1811 H82 SLES 1 28.0852 19.055 37.5584 HAL2 1809 0 0 0 9.000000e-021814 1812 C9 SLES 1 27.2713 20.1481 35.9494 CTL2 1809 1813 1814 1815 - 1.800000e-011815 1813 H91 SLES 1 26.8542 21.1513 35.7082 HAL2 1812 0 0 0 9.000000e-021816 1814 H92 SLES 1 28.1367 19.9387 35.2813 HAL2 1812 0 0 0 9.000000e-021817 1815 C10 SLES 1 26.2206 19.0397 35.9403 CTL2 1812 1816 1817 1818 - 1.800000e-011818 1816 H10 SLES 1 25.4137 19.2722 36.6867 HAL2 1815 0 0 0 9.000000e-021819 1817 H10 SLES 1 26.6868 18.069 36.2625 HAL2 1815 0 0 0 9.000000e-021820 1818 C11 SLES 1 25.5594 18.8048 34.6211 CTL2 1815 1819 1820 1821 - 1.800000e-011821 1819 H11 SLES 1 25.0797 19.7635 34.315 HAL2 1818 0 0 0 9.000000e-021822 1820 H11 SLES 1 26.3607 18.5534 33.8881 HAL2 1818 0 0 0 9.000000e-021823 1821 C12 SLES 1 24.5367 17.6738 34.7618 CTL3 1818 1822 1823 1824 - 2.700000e-011824 1822 H12 SLES 1 23.5213 18.0492 34.5288 HAL3 1821 0 0 0 9.000000e-021825 1823 H12 SLES 1 24.8108 16.8299 34.0991 HAL3 1821 0 0 0 9.000000e-021826 1824 H12 SLES 1 24.4953 17.2633 35.8006 HAL3 1821 0 0 0 9.000000e-021827 1825 NA SLES 1 29.358 40.3289 46.6723 NA 0 0 0 0 1 .000000e+001828 1826 S SLES 1 27.7881 38.3139 48.3002 SL 1827 1828 1829 1830 1.33 0000e+001829 1827 OS1 SLES 1 27.5568 37.9291 46.8975 OSL 1826 1831 0 0 - 2.800000e-011830 1828 OS2 SLES 1 27.2794 39.6439 48.0489 O2L 1826 0 0 0 - 6.500000e-011831 1829 OS3 SLES 1 29.2157 38.1633 48.1372 O2L 1826 0 0 0 - 6.500000e-011832 1830 OS4 SLES 1 27.0448 37.3921 49.1123 O2L 1826 0 0 0 - 6.500000e-011833 1831 C2 SLES 1 26.82 36.8742 46.4226 CC32A 1827 1832 1833 1834 - 1.100000e-011834 1832 H2A SLES 1 25.7494 36.9588 46.7476 HCA2 1831 0 0 0 9.000000e-021835 1833 H2B SLES 1 27.2465 35.8971 46.7735 HCA2 1831 0 0 0 9.000000e-021836 1834 C1 SLES 1 26.963 37.0424 44.8946 CC32A 1831 1835 1836 1837 - 1.000000e-021837 1835 H1B SLES 1 26.5632 38.0351 44.5616 HCA2 1834 0 0 0 9.000000e-021838 1836 H1A SLES 1 28.034 36.9655 44.5843 HCA2 1834 0 0 0 9.000000e-021839 1837 O1 SLES 1 26.3251 36.1317 44.0592 OC30A 1834 1838 0 0 - 3.400000e-011840 1838 C2 SLES 1 25.5567 35.1047 44.6588 CC32A 1837 1839 1840 1841 - 1.000000e-021841 1839 H2A SLES 1 24.7316 35.5467 45.2877 HCA2 1838 0 0 0 9.000000e-021842 1840 H2B SLES 1 26.1871 34.4555 45.3104 HCA2 1838 0 0 0 9.000000e-021843 1841 C1 SLES 1 25.1073 34.7084 43.2056 CC32A 1838 1842 1843 1844 - 1.000000e-021844 1842 H1B SLES 1 24.0603 34.911 43.4672 HCA2 1841 0 0 0 9.000000e-021845 1843 H1A SLES 1 25.6959 33.7612 43.4862 HCA2 1841 0 0 0 9.000000e-021846 1844 O1 SLES 1 24.8162 33.9144 42.0845 OC30A 1841 1845 0 0 - 3.400000e-011847 1845 C1 SLES 1 23.887 32.8511 42.2392 CTL2 1844 1846 1847 1848 - 1.800000e-011848 1846 H11 SLES 1 22.929 33.1055 42.7729 HAL2 1845 0 0 0 9.000000e-021849 1847 H12 SLES 1 24.3563 32.001 42.7956 HAL2 1845 0 0 0 9.000000e-021850 1848 C2 SLES 1 23.646 32.5212 40.7668 CTL2 1845 1849 1850 1851 - 1.800000e-011851 1849 H21 SLES 1 23.1244 33.335 40.2079 HAL2 1848 0 0 0 9.000000e-021852 1850 H22 SLES 1 24.5812 32.2474 40.2202 HAL2 1848 0 0 0 9.000000e-021853 1851 C3 SLES 1 22.7675 31.338 40.8333 CTL2 1848 1852 1853 1854 - 1.800000e-011854 1852 H31 SLES 1 21.8574 31.6859 41.3936 HAL2 1851 0 0 0 9.000000e-021855 1853 H32 SLES 1 23.3559 30.5724 41.4107 HAL2 1851 0 0 0 9.000000e-021856 1854 C4 SLES 1 22.2827 30.661 39.5924 CTL2 1851 1855 1856 1857 - 1.800000e-011857 1855 H41 SLES 1 21.6805 31.3569 38.9577 HAL2 1854 0 0 0 9.000000e-021858 1856 H42 SLES 1 23.1322 30.2814 38.9775 HAL2 1854 0 0 0 9.000000e-021859 1857 C5 SLES 1 21.4545 29.5554 40.2609 CTL2 1854 1858 1859 1860 - 1.800000e-011860 1858 H51 SLES 1 20.6647 30.0008 40.9226 HAL2 1857 0 0 0 9.000000e-021861 1859 H52 SLES 1 22.099 28.9382 40.9407 HAL2 1857 0 0 0 9.000000e-021862 1860 C6 SLES 1 20.765 28.6096 39.3759 CTL2 1857 1861 1862 1863 - 1.800000e-011863 1861 H61 SLES 1 19.6779 28.6514 39.6575 HAL2 1860 0 0 0 9.000000e-021864 1862 H62 SLES 1 21.1161 27.5857 39.6755 HAL2 1860 0 0 0 9.000000e-021865 1863 C7 SLES 1 20.9396 28.8186 37.8668 CTL2 1860 1864 1865 1866 - 1.800000e-011866 1864 H71 SLES 1 20.5348 29.7889 37.4936 HAL2 1863 0 0 0 9.000000e-021867 1865 H72 SLES 1 21.9908 28.7098 37.5119 HAL2 1863 0 0 0 9.000000e-021868 1866 C8 SLES 1 20.1076 27.6895 37.3765 CTL2 1863 1867 1868 1869 - 1.800000e-011869 1867 H81 SLES 1 19.0733 27.8548 37.7902 HAL2 1866 0 0 0 9.000000e-021870 1868 H82 SLES 1 20.5607 26.7528 37.8099 HAL2 1866 0 0 0 9.000000e-021871 1869 C9 SLES 1 19.9479 27.4484 35.916 CTL2 1866 1870 1871 1872 - 1.800000e-011872 1870 H91 SLES 1 19.4801 28.3331 35.4291 HAL2 1869 0 0 0 9.000000e-021873 1871 H92 SLES 1 20.9388 27.2517 35.4483 HAL2 1869 0 0 0 9.000000e-021874 1872 C10 SLES 1 19.0384 26.2217 35.9401 CTL2 1869 1873 1874 1875 - 1.800000e-011875 1873 H10 SLES 1 18.0879 26.4617 36.4889 HAL2 1872 0 0 0 9.000000e-021876 1874 H10 SLES 1 19.5359 25.3886 36.5075 HAL2 1872 0 0 0 9.000000e-021877 1875 C11 SLES 1 18.6601 25.6875 34.597 CTL2 1872 1876 1877 1878 - 1.800000e-011878 1876 H11 SLES 1 18.1476 26.5096 34.0451 HAL2 1875 0 0 0 9.000000e-021879 1877 H11 SLES 1 19.6046 25.4305 34.0637 HAL2 1875 0 0 0 9.000000e-021880 1878 C12 SLES 1 17.7526 24.4669 34.7749 CTL3 1875 1879 1880 1881 - 2.700000e-011881 1879 H12 SLES 1 16.7641 24.6585 34.3142 HAL3 1878 0 0 0 9.000000e-021882 1880 H12 SLES 1 18.2308 23.571 34.3331 HAL3 1878 0 0 0 9.000000e-021883 1881 H12 SLES 1 17.5634 24.2297 35.8507 HAL3 1878 0 0 0 9.000000e-021884 1882 NA SLES 1 16.0421 47.1637 46.7639 NA 0 0 0 0 1 .000000e+001885 1883 S SLES 1 14.3706 45.1287 48.2603 SL 1884 1885 1886 1887 1.33 0000e+001886 1884 OS1 SLES 1 14.5047 44.5807 46.8998 OSL 1883 1888 0 0 - 2.800000e-011887 1885 OS2 SLES 1 13.7921 46.3485 47.7426 O2L 1883 0 0 0 - 6.500000e-011888 1886 OS3 SLES 1 15.8059 45.1528 48.4241 O2L 1883 0 0 0 - 6.500000e-011889 1887 OS4 SLES 1 13.5664 44.2009 49.0049 O2L 1883 0 0 0 - 6.500000e-011890 1888 C2 SLES 1 14.0118 43.3961 46.4151 CC32A 1884 1889 1890 1891 - 1.100000e-011891 1889 H2A SLES 1 12.8927 43.37 46.4922 HCA2 1888 0 0 0 9.000000e-021892 1890 H2B SLES 1 14.4503 42.5233 46.9677 HCA2 1888 0 0 0 9.000000e-021893 1891 C1 SLES 1 14.4773 43.4308 44.9434 CC32A 1888 1892 1893 1894 - 1.000000e-021894 1892 H1B SLES 1 14.0589 44.3245 44.4117 HCA2 1891 0 0 0 9.000000e-021895 1893 H1A SLES 1 15.5926 43.4661 44.8796 HCA2 1891 0 0 0 9.000000e-021896 1894 O1 SLES 1 14.146 42.3662 44.1121 OC30A 1891 1895 0 0 - 3.400000e-011897 1895 C2 SLES 1 13.3768 41.3106 44.6586 CC32A 1894 1896 1897 1898 - 1.000000e-021898 1896 H2A SLES 1 12.3885 41.6992 45.0377 HCA2 1895 0 0 0 9.000000e-021899 1897 H2B SLES 1 13.9097 40.8176 45.5051 HCA2 1895 0 0 0 9.000000e-021900 1898 C1 SLES 1 13.3124 40.7174 43.2043 CC32A 1895 1899 1900 1901 - 1.000000e-021901 1899 H1B SLES 1 12.2179 40.8046 43.2103 HCA2 1898 0 0 0 9.000000e-021902 1900 H1A SLES 1 13.9205 39.8886 43.7195 HCA2 1898 0 0 0 9.000000e-021903 1901 O1 SLES 1 13.3689 39.7857 42.1552 OC30A 1898 1902 0 0 - 3.400000e-011904 1902 C1 SLES 1 12.5484 38.6292 42.2408 CTL2 1901 1903 1904 1905 - 1.800000e-011905 1903 H11 SLES 1 11.473 38.806 42.523 HAL2 1902 0 0 0 9.000000e-021906 1904 H12 SLES 1 12.9683 37.9075 42.9859 HAL2 1902 0 0 0 9.000000e-021907 1905 C2 SLES 1 12.683 38.1274 40.8038 CTL2 1902 1906 1907 1908 - 1.800000e-011908 1906 H21 SLES 1 12.2169 38.8062 40.0497 HAL2 1905 0 0 0 9.000000e-021909 1907 H22 SLES 1 13.7413 37.9272 40.5068 HAL2 1905 0 0 0 9.000000e-021910 1908 C3 SLES 1 11.9443 36.8507 40.8297 CTL2 1905 1909 1910 1911 - 1.800000e-011911 1909 H31 SLES 1 10.8992 37.1286 41.1361 HAL2 1908 0 0 0 9.000000e-021912 1910 H32 SLES 1 12.4658 36.2301 41.6099 HAL2 1908 0 0 0 9.000000e-021913 1911 C4 SLES 1 11.8278 35.997 39.6088 CTL2 1908 1912 1913 1914 - 1.800000e-011914 1912 H41 SLES 1 11.3134 36.5414 38.7789 HAL2 1911 0 0 0 9.000000e-021915 1913 H42 SLES 1 12.8299 35.6745 39.2405 HAL2 1911 0 0 0 9.000000e-021916 1914 C5 SLES 1 10.9935 34.8627 40.2191 CTL2 1911 1915 1916 1917 - 1.800000e-011917 1915 H51 SLES 1 10.0316 35.2626 40.6371 HAL2 1914 0 0 0 9.000000e-021918 1916 H52 SLES 1 11.5302 34.4059 41.0918 HAL2 1914 0 0 0 9.000000e-021919 1917 C6 SLES 1 10.6273 33.7517 39.3332 CTL2 1914 1918 1919 1920 - 1.800000e-011920 1918 H61 SLES 1 9.50658 33.6769 39.3702 HAL2 1917 0 0 0 9.000000e-021921 1919 H62 SLES 1 11.0094 32.8177 39.826 HAL2 1917 0 0 0 9.000000e-021922 1920 C7 SLES 1 11.1147 33.8327 37.8815 CTL2 1917 1921 1922 1923 - 1.800000e-011923 1921 H71 SLES 1 10.703 34.6996 37.3126 HAL2 1920 0 0 0 9.000000e-021924 1922 H72 SLES 1 12.2243 33.8295 37.7743 HAL2 1920 0 0 0 9.000000e-021925 1923 C8 SLES 1 10.541 32.5608 37.3709 CTL2 1920 1924 1925 1926 - 1.800000e-011926 1924 H81 SLES 1 9.42846 32.6278 37.5317 HAL2 1923 0 0 0 9.000000e-021927 1925 H82 SLES 1 10.9823 31.7394 38.0041 HAL2 1923 0 0 0 9.000000e-021928 1926 C9 SLES 1 10.7422 32.1584 35.9516 CTL2 1923 1927 1928 1929 - 1.800000e-011929 1927 H91 SLES 1 10.3042 32.9214 35.2698 HAL2 1926 0 0 0 9.000000e-021930 1928 H92 SLES 1 11.8283 32.0494 35.7332 HAL2 1926 0 0 0 9.000000e-021931 1929 C10 SLES 1 9.98772 30.8306 35.9352 CTL2 1926 1930 1931 1932 - 1.800000e-011932 1930 H10 SLES 1 8.9177 30.9956 36.2354 HAL2 1929 0 0 0 9.000000e-021933 1931 H10 SLES 1 10.4306 30.1304 36.6949 HAL2 1929 0 0 0 9.000000e-021934 1932 C11 SLES 1 9.98206 30.1217 34.62 CTL2 1929 1933 1934 1935 - 1.800000e-011935 1933 H11 SLES 1 9.52232 30.8107 33.8736 HAL2 1932 0 0 0 9.000000e-021936 1934 H11 SLES 1 11.0445 29.9407 34.3357 HAL2 1932 0 0 0 9.000000e-021937 1935 C12 SLES 1 9.19418 28.8153 34.7524 CTL3 1932 1936 1937 1938 - 2.700000e-011938 1936 H12 SLES 1 8.3206 28.8284 34.0721 HAL3 1935 0 0 0 9.000000e-021939 1937 H12 SLES 1 9.85308 27.9515 34.5377 HAL3 1935 0 0 0 9.000000e-021940 1938 H12 SLES 1 8.79347 28.6621 35.7845 HAL3 1935 0 0 0 9.000000e-021941 1939 NA SLES 1 1.2519 49.6261 47.007 NA 0 0 0 0 1 .000000e+001942 1940 S SLES 1 -0.48998 47.4348 48.1638 SL 1941 1942 1943 1944 1.33 0000e+001943 1941 OS1 SLES 1 0.0356554 46.8758 46.9066 OSL 1940 1945 0 0 - 2.800000e-011944 1942 OS2 SLES 1 -1.06018 48.5605 47.4579 O2L 1940 0 0 0 - 6.500000e-011945 1943 OS3 SLES 1 0.848698 47.6413 48.6664 O2L 1940 0 0 0 - 6.500000e-011946 1944 OS4 SLES 1 -1.34 46.4319 48.7414 O2L 1940 0 0 0 - 6.500000e-011947 1945 C2 SLES 1 -0.183811 45.6279 46.3814 CC32A 1941 1946 1947 1948 - 1.100000e-011948 1946 H2A SLES 1 -1.27696 45.4645 46.1884 HCA2 1945 0 0 0 9.000000e-021949 1947 H2B SLES 1 0.203164 44.8298 47.069 HCA2 1945 0 0 0 9.000000e-021950 1948 C1 SLES 1 0.621073 45.6855 45.0652 CC32A 1945 1949 1950 1951 - 1.000000e-021951 1949 H1B SLES 1 0.245908 46.5072 44.4016 HCA2 1948 0 0 0 9.000000e-021952 1950 H1A SLES 1 1.7063 45.8578 45.2696 HCA2 1948 0 0 0 9.000000e-021953 1951 O1 SLES 1 0.6284 44.5686 44.2365 OC30A 1948 1952 0 0 - 3.400000e-011954 1952 C2 SLES 1 -0.124691 43.4385 44.6374 CC32A 1951 1953 1954 1955 - 1.000000e-021955 1953 H2A SLES 1 -1.21367 43.71 44.7466 HCA2 1952 0 0 0 9.000000e-021956 1954 H2B SLES 1 0.23748 43.0359 45.6122 HCA2 1952 0 0 0 9.000000e-021957 1955 C1 SLES 1 0.238069 42.8078 43.2441 CC32A 1952 1956 1957 1958 - 1.000000e-021958 1956 H1B SLES 1 -0.827066 42.7582 42.982 HCA2 1955 0 0 0 9.000000e-021959 1957 H1A SLES 1 0.792486 42.0735 43.9338 HCA2 1955 0 0 0 9.000000e-021960 1958 O1 SLES 1 0.656792 41.8658 42.2905 OC30A 1955 1959 0 0 - 3.400000e-011961 1959 C1 SLES 1 -0.0211082 40.6186 42.2378 CTL2 1958 1960 1961 1962 - 1.800000e-011962 1960 H11 SLES 1 -1.1458 40.6666 42.2433 HAL2 1959 0 0 0 9.000000e-021963 1961 H12 SLES 1 0.28348 39.9725 43.0994 HAL2 1959 0 0 0 9.000000e-021964 1962 C2 SLES 1 0.518503 40.1036 40.9042 CTL2 1959 1963 1964 1965 - 1.800000e-011965 1963 H21 SLES 1 0.176663 40.701 40.0251 HAL2 1962 0 0 0 9.000000e-021966 1964 H22 SLES 1 1.63312 40.0297 40.8815 HAL2 1962 0 0 0 9.000000e-021967 1965 C3 SLES 1 -0.0521241 38.7458 40.8197 CTL2 1962 1966 1967 1968 - 1.800000e-011968 1966 H31 SLES 1 -1.16526 38.8986 40.8505 HAL2 1965 0 0 0 9.000000e-021969 1967 H32 SLES 1 0.329941 38.2136 41.7343 HAL2 1965 0 0 0 9.000000e-021970 1968 C4 SLES 1 0.233177 37.8556 39.6538 CTL2 1965 1969 1970 1971 - 1.800000e-011971 1969 H41 SLES 1 -0.121143 38.312 38.6968 HAL2 1968 0 0 0 9.000000e-021972 1970 H42 SLES 1 1.32523 37.6518 39.5551 HAL2 1968 0 0 0 9.000000e-021973 1971 C5 SLES 1 -0.589096 36.641 40.1051 CTL2 1968 1972 1973 1974 - 1.800000e-011974 1972 H51 SLES 1 -1.66356 36.9278 40.2577 HAL2 1971 0 0 0 9.000000e-021975 1973 H52 SLES 1 -0.233893 36.2753 41.1044 HAL2 1971 0 0 0 9.000000e-021976 1974 C6 SLES 1 -0.596769 35.4724 39.2176 CTL2 1971 1975 1976 1977 - 1.800000e-011977 1975 H61 SLES 1 -1.67606 35.2596 38.9881 HAL2 1974 0 0 0 9.000000e-021978 1976 H62 SLES 1 -0.242321 34.6051 39.837 HAL2 1974 0 0 0 9.000000e-021979 1977 C7 SLES 1 0.219079 35.5791 37.9236 CTL2 1974 1978 1979 1980 - 1.800000e-011980 1978 H71 SLES 1 -0.137471 36.3743 37.2271 HAL2 1977 0 0 0 9.000000e-021981 1979 H72 SLES 1 1.31388 35.7116 38.0867 HAL2 1977 0 0 0 9.000000e-021982 1980 C8 SLES 1 -0.0617829 34.234 37.3585 CTL2 1977 1981 1982 1983 - 1.800000e-011983 1981 H81 SLES 1 -1.1799 34.1657 37.2432 HAL2 1980 0 0 0 9.000000e-021984 1982 H82 SLES 1 0.302254 33.4891 38.1221 HAL2 1980 0 0 0 9.000000e-021985 1983 C9 SLES 1 0.526095 33.8264 36.0527 CTL2 1980 1984 1985 1986 - 1.800000e-011986 1984 H91 SLES 1 0.183926 34.5125 35.246 HAL2 1983 0 0 0 9.000000e-021987 1985 H92 SLES 1 1.63769 33.8483 36.1081 HAL2 1983 0 0 0 9.000000e-021988 1986 C10 SLES 1 -0.0435056 32.415 35.9262 CTL2 1983 1987 1988 1989 - 1.800000e-011989 1987 H10 SLES 1 -1.1661 32.4525 35.951 HAL2 1986 0 0 0 9.000000e-021990 1988 H10 SLES 1 0.277096 31.7935 36.8063 HAL2 1986 0 0 0 9.000000e-021991 1989 C11 SLES 1 0.355008 31.68 34.6879 CTL2 1986 1990 1991 1992 - 1.800000e-011992 1990 H11 SLES 1 0.0162057 32.2885 33.8173 HAL2 1989 0 0 0 9.000000e-021993 1991 H11 SLES 1 1.46831 31.626 34.6775 HAL2 1989 0 0 0 9.000000e-021994 1992 C12 SLES 1 -0.285688 30.2892 34.6964 CTL3 1989 1993 1994 1995 - 2.700000e-011995 1993 H12 SLES 1 -0.961353 30.1773 33.8263 HAL3 1992 0 0 0 9.000000e-021996 1994 H12 SLES 1 0.500563 29.5093 34.6927 HAL3 1992 0 0 0 9.000000e-021997 1995 H12 SLES 1 -0.906853 30.1116 35.6085 HAL3 1992 0 0 0 9.000000e-021998 1996 NA SLES 1 -13.6318 47.4516 47.3778 NA 0 0 0 0 1 .000000e+001999 1997 S SLES 1 -15.314 45.016 48.0201 SL 1998 1999 2000 2001 1.33 0000e+002000 1998 OS1 SLES 1 -14.4361 44.5889 46.9173 OSL 1997 2002 0 0 - 2.800000e-012001 1999 OS2 SLES 1 -15.8333 46.1047 47.2227 O2L 1997 0 0 0 - 6.500000e-012002 2000 OS3 SLES 1 -14.1719 45.348 48.8402 O2L 1997 0 0 0 - 6.500000e-012003 2001 OS4 SLES 1 -16.1463 43.8928 48.3478 O2L 1997 0 0 0 - 6.500000e-012004 2002 C2 SLES 1 -14.3657 43.3539 46.3249 CC32A 1998 2003 2004 2005 - 1.100000e-012005 2003 H2A SLES 1 -15.3512 43.0763 45.8661 HCA2 2002 0 0 0 9.000000e-022006 2004 H2B SLES 1 -14.0591 42.57 47.0674 HCA2 2002 0 0 0 9.000000e-022007 2005 C1 SLES 1 -13.2815 43.5736 45.248 CC32A 2002 2006 2007 2008 - 1.000000e-022008 2006 H1B SLES 1 -13.5854 44.381 44.5323 HCA2 2005 0 0 0 9.000000e-022009 2007 H1A SLES 1 -12.3075 43.8585 45.7162 HCA2 2005 0 0 0 9.000000e-022010 2008 O1 SLES 1 -12.9362 42.5108 44.4202 OC30A 2005 2009 0 0 - 3.400000e-012011 2009 C2 SLES 1 -13.6168 41.2819 44.5974 CC32A 2008 2010 2011 2012 - 1.000000e-022012 2010 H2A SLES 1 -14.7252 41.4201 44.4426 HCA2 2009 0 0 0 9.000000e-022013 2011 H2B SLES 1 -13.4525 40.8722 45.6215 HCA2 2009 0 0 0 9.000000e-022014 2012 C1 SLES 1 -12.854 40.7722 43.321 CC32A 2009 2013 2014 2015 - 1.000000e-022015 2013 H1B SLES 1 -13.8102 40.6144 42.8048 HCA2 2012 0 0 0 9.000000e-022016 2014 H1A SLES 1 -12.3948 40.0708 44.1081 HCA2 2012 0 0 0 9.000000e-022017 2015 O1 SLES 1 -12.1044 39.9367 42.4772 OC30A 2012 2016 0 0 - 3.400000e-012018 2016 C1 SLES 1 -12.589 38.6244 42.2305 CTL2 2015 2017 2018 2019 - 1.800000e-012019 2017 H11 SLES 1 -13.679 38.5425 41.9612 HAL2 2016 0 0 0 9.000000e-022020 2018 H12 SLES 1 -12.4225 37.9727 43.1249 HAL2 2016 0 0 0 9.000000e-022021 2019 C2 SLES 1 -11.6847 38.2466 41.0581 CTL2 2016 2020 2021 2022 - 1.800000e-012022 2020 H21 SLES 1 -11.8768 38.8468 40.1364 HAL2 2019 0 0 0 9.000000e-022023 2021 H22 SLES 1 -10.5971 38.3028 41.3076 HAL2 2019 0 0 0 9.000000e-022024 2022 C3 SLES 1 -12.0447 36.8387 40.8041 CTL2 2019 2023 2024 2025 - 1.800000e-012025 2023 H31 SLES 1 -13.1427 36.8607 40.5647 HAL2 2022 0 0 0 9.000000e-022026 2024 H32 SLES 1 -11.8306 36.306 41.7717 HAL2 2022 0 0 0 9.000000e-022027 2025 C4 SLES 1 -11.3789 36.0506 39.7231 CTL2 2022 2026 2027 2028 - 1.800000e-012028 2026 H41 SLES 1 -11.5466 36.5136 38.7195 HAL2 2025 0 0 0 9.000000e-022029 2027 H42 SLES 1 -10.2785 35.9793 39.8903 HAL2 2025 0 0 0 9.000000e-022030 2028 C5 SLES 1 -12.1277 34.7272 39.9302 CTL2 2025 2029 2030 2031 - 1.800000e-012031 2029 H51 SLES 1 -13.2344 34.8801 39.8214 HAL2 2028 0 0 0 9.000000e-022032 2030 H52 SLES 1 -11.9805 34.3521 40.9771 HAL2 2028 0 0 0 9.000000e-022033 2031 C6 SLES 1 -11.7762 33.6144 39.0406 CTL2 2028 2032 2033 2034 - 1.800000e-012034 2032 H61 SLES 1 -12.7335 33.2914 38.5484 HAL2 2031 0 0 0 9.000000e-022035 2033 H62 SLES 1 -11.4759 32.7619 39.7072 HAL2 2031 0 0 0 9.000000e-022036 2034 C7 SLES 1 -10.6929 33.883 37.9889 CTL2 2031 2035 2036 2037 - 1.800000e-012037 2035 H71 SLES 1 -10.9677 34.6679 37.2452 HAL2 2034 0 0 0 9.000000e-022038 2036 H72 SLES 1 -9.69476 34.1316 38.4185 HAL2 2034 0 0 0 9.000000e-022039 2037 C8 SLES 1 -10.66 32.5466 37.3406 CTL2 2034 2038 2039 2040 - 1.800000e-012040 2038 H81 SLES 1 -11.7001 32.3564 36.9531 HAL2 2037 0 0 0 9.000000e-022041 2039 H82 SLES 1 -10.4004 31.8089 38.1523 HAL2 2037 0 0 0 9.000000e-022042 2040 C9 SLES 1 -9.72931 32.2794 36.2095 CTL2 2037 2041 2042 2043 - 1.800000e-012043 2041 H91 SLES 1 -9.95013 32.9637 35.36 HAL2 2040 0 0 0 9.000000e-022044 2042 H92 SLES 1 -8.67528 32.426 36.5362 HAL2 2040 0 0 0 9.000000e-022045 2043 C10 SLES 1 -10.0715 30.8206 35.9139 CTL2 2040 2044 2045 2046 - 1.800000e-012046 2044 H10 SLES 1 -11.1628 30.7274 35.6636 HAL2 2043 0 0 0 9.000000e-022047 2045 H10 SLES 1 -9.8971 30.1942 36.8307 HAL2 2043 0 0 0 9.000000e-022048 2046 C11 SLES 1 -9.29857 30.2034 34.794 CTL2 2043 2047 2048 2049 - 1.800000e-012049 2047 H11 SLES 1 -9.49112 30.8144 33.8816 HAL2 2046 0 0 0 9.000000e-022050 2048 H11 SLES 1 -8.21763 30.2784 35.0556 HAL2 2046 0 0 0 9.000000e-022051 2049 C12 SLES 1 -9.74421 28.7496 34.6123 CTL3 2046 2050 2051 2052 - 2.700000e-012052 2050 H12 SLES 1 -10.1715 28.6073 33.6007 HAL3 2049 0 0 0 9.000000e-022053 2051 H12 SLES 1 -8.88936 28.0666 34.7831 HAL3 2049 0 0 0 9.000000e-022054 2052 H12 SLES 1 -10.5394 28.4535 35.3399 HAL3 2049 0 0 0 9.000000e-022055 2053 NA SLES 1 -27.1926 40.7947 47.8399 NA 0 0 0 0 1 .000000e+002056 2054 S SLES 1 -28.6356 38.1316 47.8432 SL 2055 2056 2057 2058 1.33 0000e+002057 2055 OS1 SLES 1 -27.4951 37.9424 46.9307 OSL 2054 2059 0 0 - 2.800000e-012058 2056 OS2 SLES 1 -29.1132 39.2494 47.0601 O2L 2054 0 0 0 - 6.500000e-012059 2057 OS3 SLES 1 -27.7478 38.4791 48.9287 O2L 2054 0 0 0 - 6.500000e-012060 2058 OS4 SLES 1 -29.3626 36.8935 47.8626 O2L 2054 0 0 0 - 6.500000e-012061 2059 C2 SLES 1 -27.138 36.8058 46.2512 CC32A 2055 2060 2061 2062 - 1.100000e-012062 2060 H2A SLES 1 -27.9581 36.4836 45.5566 HCA2 2059 0 0 0 9.000000e-022063 2061 H2B SLES 1 -26.8951 35.9727 46.963 HCA2 2059 0 0 0 9.000000e-022064 2062 C1 SLES 1 -25.8887 37.2734 45.4739 CC32A 2059 2063 2064 2065 - 1.000000e-022065 2063 H1B SLES 1 -26.1378 38.1266 44.7909 HCA2 2062 0 0 0 9.000000e-022066 2064 H1A SLES 1 -25.0827 37.6004 46.1757 HCA2 2062 0 0 0 9.000000e-022067 2065 O1 SLES 1 -25.2382 36.3656 44.6452 OC30A 2062 2066 0 0 - 3.400000e-012068 2066 C2 SLES 1 -25.7723 35.0583 44.5425 CC32A 2065 2067 2068 2069 - 1.000000e-022069 2067 H2A SLES 1 -26.8309 35.0951 44.1557 HCA2 2066 0 0 0 9.000000e-022070 2068 H2B SLES 1 -25.7764 34.5439 45.5319 HCA2 2066 0 0 0 9.000000e-022071 2069 C1 SLES 1 -24.6955 34.7969 43.4276 CC32A 2066 2070 2071 2072 - 1.000000e-022072 2070 H1B SLES 1 -25.4909 34.6033 42.6958 HCA2 2069 0 0 0 9.000000e-022073 2071 H1A SLES 1 -24.3252 34.056 44.2253 HCA2 2069 0 0 0 9.000000e-022074 2072 O1 SLES 1 -23.6801 34.1587 42.6971 OC30A 2069 2073 0 0 - 3.400000e-012075 2073 C1 SLES 1 -23.9235 32.8432 42.2195 CTL2 2072 2074 2075 2076 - 1.800000e-012076 2074 H11 SLES 1 -24.9109 32.6791 41.7043 HAL2 2073 0 0 0 9.000000e-022077 2075 H12 SLES 1 -23.866 32.1064 43.06 HAL2 2073 0 0 0 9.000000e-022078 2076 C2 SLES 1 -22.7492 32.7141 41.2504 CTL2 2073 2077 2078 2079 - 1.800000e-012079 2077 H21 SLES 1 -22.8189 33.4007 40.3726 HAL2 2076 0 0 0 9.000000e-022080 2078 H22 SLES 1 -21.7565 32.855 41.7434 HAL2 2076 0 0 0 9.000000e-022081 2079 C3 SLES 1 -22.8577 31.3186 40.7847 CTL2 2076 2080 2081 2082 - 1.800000e-012082 2080 H31 SLES 1 -23.8729 31.2523 40.3068 HAL2 2079 0 0 0 9.000000e-022083 2081 H32 SLES 1 -22.7853 30.6952 41.7184 HAL2 2079 0 0 0 9.000000e-022084 2082 C4 SLES 1 -21.8794 30.7478 39.8099 CTL2 2079 2083 2084 2085 - 1.800000e-012085 2083 H41 SLES 1 -21.89 31.3118 38.8448 HAL2 2082 0 0 0 9.000000e-022086 2084 H42 SLES 1 -20.84 30.7746 40.2135 HAL2 2082 0 0 0 9.000000e-022087 2085 C5 SLES 1 -22.4734 29.3362 39.7115 CTL2 2082 2086 2087 2088 - 1.800000e-012088 2086 H51 SLES 1 -23.5421 29.3819 39.3711 HAL2 2085 0 0 0 9.000000e-022089 2087 H52 SLES 1 -22.5036 28.8512 40.7225 HAL2 2085 0 0 0 9.000000e-022090 2088 C6 SLES 1 -21.7972 28.3875 38.8193 CTL2 2085 2089 2090 2091 - 1.800000e-012091 2089 H61 SLES 1 -22.5769 28.0278 38.0944 HAL2 2088 0 0 0 9.000000e-022092 2090 H62 SLES 1 -21.5352 27.4956 39.4495 HAL2 2088 0 0 0 9.000000e-022093 2091 C7 SLES 1 -20.5607 28.9001 38.0711 CTL2 2088 2092 2093 2094 - 1.800000e-012094 2092 H71 SLES 1 -20.7726 29.7378 37.3654 HAL2 2091 0 0 0 9.000000e-022095 2093 H72 SLES 1 -19.7182 29.1987 38.7373 HAL2 2091 0 0 0 9.000000e-022096 2094 C8 SLES 1 -20.2144 27.6665 37.3189 CTL2 2091 2095 2096 2097 - 1.800000e-012097 2095 H81 SLES 1 -21.1142 27.4158 36.6898 HAL2 2094 0 0 0 9.000000e-022098 2096 H82 SLES 1 -20.0379 26.8653 38.0918 HAL2 2094 0 0 0 9.000000e-022099 2097 C9 SLES 1 -19.038 27.6442 36.4066 CTL2 2094 2098 2099 2100 - 1.800000e-012100 2098 H91 SLES 1 -19.1619 28.4016 35.6006 HAL2 2097 0 0 0 9.000000e-022101 2099 H92 SLES 1 -18.1061 27.861 36.9757 HAL2 2097 0 0 0 9.000000e-022102 2100 C10 SLES 1 -19.1137 26.2055 35.8995 CTL2 2097 2101 2102 2103 - 1.800000e-012103 2101 H10 SLES 1 -20.1049 26.0278 35.4013 HAL2 2100 0 0 0 9.000000e-022104 2102 H10 SLES 1 -19.0566 25.4917 36.7659 HAL2 2100 0 0 0 9.000000e-022105 2103 C11 SLES 1 -18.046 25.8196 34.9281 CTL2 2100 2104 2105 2106 - 1.800000e-012106 2104 H11 SLES 1 -18.1196 26.5157 34.0602 HAL2 2103 0 0 0 9.000000e-022107 2105 H11 SLES 1 -17.0649 25.9768 35.4331 HAL2 2103 0 0 0 9.000000e-022108 2106 C12 SLES 1 -18.2468 24.3606 34.5085 CTL3 2103 2107 2108 2109 - 2.700000e-012109 2107 H12 SLES 1 -18.427 24.3008 33.4176 HAL3 2106 0 0 0 9.000000e-022110 2108 H12 SLES 1 -17.365 23.7573 34.8 HAL3 2106 0 0 0 9.000000e-022111 2109 H12 SLES 1 -19.132 23.8923 35.005 HAL3 2106 0 0 0 9.000000e-022112 2110 NA SLES 1 -38.1014 30.236 48.3482 NA 0 0 0 0 1 .000000e+002113 2111 S SLES 1 -39.1523 27.4823 47.6506 SL 2112 2113 2114 2115 1.33 0000e+002114 2112 OS1 SLES 1 -37.8632 27.5846 46.9457 OSL 2111 2116 0 0 - 2.800000e-012115 2113 OS2 SLES 1 -39.6422 28.6692 46.986 O2L 2111 0 0 0 - 6.500000e-012116 2114 OS3 SLES 1 -38.5087 27.7143 48.9231 O2L 2111 0 0 0 - 6.500000e-012117 2115 OS4 SLES 1 -39.6986 26.1928 47.3332 O2L 2111 0 0 0 - 6.500000e-012118 2116 C2 SLES 1 -37.2496 26.6364 46.1675 CC32A 2112 2117 2118 2119 - 1.100000e-012119 2117 H2A SLES 1 -37.8942 26.3642 45.2904 HCA2 2116 0 0 0 9.000000e-022120 2118 H2B SLES 1 -37.0158 25.7164 46.7661 HCA2 2116 0 0 0 9.000000e-022121 2119 C1 SLES 1 -35.9651 27.3672 45.7208 CC32A 2116 2120 2121 2122 - 1.000000e-022122 2120 H1B SLES 1 -36.2123 28.301 45.1522 HCA2 2119 0 0 0 9.000000e-022123 2121 H1A SLES 1 -35.336 27.6414 46.6031 HCA2 2119 0 0 0 9.000000e-022124 2122 O1 SLES 1 -35.0713 26.7007 44.8895 OC30A 2119 2123 0 0 - 3.400000e-012125 2123 C2 SLES 1 -35.3999 25.3863 44.478 CC32A 2122 2124 2125 2126 - 1.000000e-022126 2124 H2A SLES 1 -36.3763 25.3831 43.9139 HCA2 2123 0 0 0 9.000000e-022127 2125 H2B SLES 1 -35.4959 24.7006 45.3522 HCA2 2123 0 0 0 9.000000e-022128 2126 C1 SLES 1 -34.1302 25.4489 43.5534 CC32A 2123 2127 2128 2129 - 1.000000e-022129 2127 H1B SLES 1 -34.7619 25.3116 42.6659 HCA2 2126 0 0 0 9.000000e-022130 2128 H1A SLES 1 -33.7984 24.6163 44.2739 HCA2 2126 0 0 0 9.000000e-022131 2129 O1 SLES 1 -32.9324 25.0659 42.9285 OC30A 2126 2130 0 0 - 3.400000e-012132 2130 C1 SLES 1 -32.9145 23.8429 42.2061 CTL2 2129 2131 2132 2133 - 1.800000e-012133 2131 H11 SLES 1 -33.7732 23.6745 41.4978 HAL2 2130 0 0 0 9.000000e-022134 2132 H12 SLES 1 -32.896 22.9738 42.911 HAL2 2130 0 0 0 9.000000e-022135 2133 C2 SLES 1 -31.5913 24.018 41.4623 CTL2 2130 2134 2135 2136 - 1.800000e-012136 2134 H21 SLES 1 -31.6089 24.8436 40.7108 HAL2 2133 0 0 0 9.000000e-022137 2135 H22 SLES 1 -30.7206 24.1684 42.1462 HAL2 2133 0 0 0 9.000000e-022138 2136 C3 SLES 1 -31.4327 22.7287 40.7631 CTL2 2133 2137 2138 2139 - 1.800000e-012139 2137 H31 SLES 1 -32.3379 22.6462 40.1019 HAL2 2136 0 0 0 9.000000e-022140 2138 H32 SLES 1 -31.4301 21.9548 41.5797 HAL2 2136 0 0 0 9.000000e-022141 2139 C4 SLES 1 -30.2404 22.4527 39.9057 CTL2 2136 2140 2141 2142 - 1.800000e-012142 2140 H41 SLES 1 -30.1695 23.1809 39.0604 HAL2 2139 0 0 0 9.000000e-022143 2141 H42 SLES 1 -29.2941 22.5129 40.4929 HAL2 2139 0 0 0 9.000000e-022144 2142 C5 SLES 1 -30.6141 21.0294 39.4703 CTL2 2139 2143 2144 2145 - 1.800000e-012145 2143 H51 SLES 1 -31.6091 21.0253 38.9507 HAL2 2142 0 0 0 9.000000e-022146 2144 H52 SLES 1 -30.743 20.3658 40.3655 HAL2 2142 0 0 0 9.000000e-022147 2145 C6 SLES 1 -29.6794 20.3374 38.5755 CTL2 2142 2146 2147 2148 - 1.800000e-012148 2146 H61 SLES 1 -30.2744 20.0382 37.6704 HAL2 2145 0 0 0 9.000000e-022149 2147 H62 SLES 1 -29.4057 19.3768 39.089 HAL2 2145 0 0 0 9.000000e-022150 2148 C7 SLES 1 -28.4181 21.1054 38.1621 CTL2 2145 2149 2150 2151 - 1.800000e-012151 2149 H71 SLES 1 -28.6232 22.0321 37.5757 HAL2 2148 0 0 0 9.000000e-022152 2150 H72 SLES 1 -27.7438 21.3622 39.0119 HAL2 2148 0 0 0 9.000000e-022153 2151 C8 SLES 1 -27.7902 20.0746 37.2955 CTL2 2148 2152 2153 2154 - 1.800000e-012154 2152 H81 SLES 1 -28.5329 19.8518 36.4789 HAL2 2151 0 0 0 9.000000e-022155 2153 H82 SLES 1 -27.6355 19.1675 37.9464 HAL2 2151 0 0 0 9.000000e-022156 2154 C9 SLES 1 -26.4885 20.3438 36.6247 CTL2 2151 2155 2156 2157 - 1.800000e-012157 2155 H91 SLES 1 -26.5805 21.2197 35.9443 HAL2 2154 0 0 0 9.000000e-022158 2156 H92 SLES 1 -25.7001 20.548 37.3835 HAL2 2154 0 0 0 9.000000e-022159 2157 C10 SLES 1 -26.2853 19.0235 35.8844 CTL2 2154 2158 2159 2160 - 1.800000e-012160 2158 H10 SLES 1 -27.1487 18.8383 35.1898 HAL2 2157 0 0 0 9.000000e-022161 2159 H10 SLES 1 -26.2745 18.1721 36.6182 HAL2 2157 0 0 0 9.000000e-022162 2160 C11 SLES 1 -25.0312 18.9369 35.0768 CTL2 2157 2161 2162 2163 - 1.800000e-012163 2161 H11 SLES 1 -25.0555 19.7695 34.3358 HAL2 2160 0 0 0 9.000000e-022164 2162 H11 SLES 1 -24.176 19.0998 35.773 HAL2 2160 0 0 0 9.000000e-022165 2163 C12 SLES 1 -24.9617 17.5675 34.395 CTL3 2160 2164 2165 2166 - 2.700000e-012166 2164 H12 SLES 1 -24.9517 17.6915 33.2947 HAL3 2163 0 0 0 9.000000e-022167 2165 H12 SLES 1 -24.0661 17.0161 34.7417 HAL3 2163 0 0 0 9.000000e-022168 2166 H12 SLES 1 -25.8446 16.9259 34.6365 HAL3 2163 0 0 0 9.000000e-022169 2167 NA SLES 1 -45.2474 16.7527 48.8529 NA 0 0 0 0 1 .000000e+002170 2168 S SLES 1 -45.8514 14.1312 47.461 SL 2169 2170 2171 2172 1.33 0000e+002171 2169 OS1 SLES 1 -44.5241 14.5279 46.9607 OSL 2168 2173 0 0 - 2.800000e-012172 2170 OS2 SLES 1 -46.4262 15.3781 47.0076 O2L 2168 0 0 0 - 6.500000e-012173 2171 OS3 SLES 1 -45.3723 14.1375 48.824 O2L 2168 0 0 0 - 6.500000e-012174 2172 OS4 SLES 1 -46.1885 12.8958 46.8114 O2L 2168 0 0 0 - 6.500000e-012175 2173 C2 SLES 1 -43.7171 13.8514 46.0818 CC32A 2169 2174 2175 2176 - 1.100000e-012176 2174 H2A SLES 1 -44.2308 13.7167 45.0934 HCA2 2173 0 0 0 9.000000e-022177 2175 H2B SLES 1 -43.4237 12.8504 46.496 HCA2 2173 0 0 0 9.000000e-022178 2176 C1 SLES 1 -42.5028 14.7976 45.9646 CC32A 2173 2177 2178 2179 - 1.000000e-022179 2177 H1B SLES 1 -42.8143 15.8036 45.5808 HCA2 2176 0 0 0 9.000000e-022180 2178 H1A SLES 1 -42.0053 14.9313 46.9565 HCA2 2176 0 0 0 9.000000e-022181 2179 O1 SLES 1 -41.4515 14.4359 45.1291 OC30A 2176 2180 0 0 - 3.400000e-012182 2180 C2 SLES 1 -41.5615 13.221 44.4103 CC32A 2179 2181 2182 2183 - 1.000000e-022183 2181 H2A SLES 1 -42.4686 13.2405 43.7409 HCA2 2180 0 0 0 9.000000e-022184 2182 H2B SLES 1 -41.6513 12.3494 45.1001 HCA2 2180 0 0 0 9.000000e-022185 2183 C1 SLES 1 -40.2266 13.6266 43.6862 CC32A 2180 2184 2185 2186 - 1.000000e-022186 2184 H1B SLES 1 -40.7443 13.6264 42.7179 HCA2 2183 0 0 0 9.000000e-022187 2185 H1A SLES 1 -39.8599 12.6933 44.2492 HCA2 2183 0 0 0 9.000000e-022188 2186 O1 SLES 1 -38.9331 13.5254 43.1489 OC30A 2183 2187 0 0 - 3.400000e-012189 2187 C1 SLES 1 -38.6828 12.5063 42.1914 CTL2 2186 2188 2189 2190 - 1.800000e-012190 2188 H11 SLES 1 -39.4379 12.4112 41.3619 HAL2 2187 0 0 0 9.000000e-022191 2189 H12 SLES 1 -38.6188 11.5077 42.6925 HAL2 2187 0 0 0 9.000000e-022192 2190 C2 SLES 1 -37.3277 12.9859 41.6731 CTL2 2187 2191 2192 2193 - 1.800000e-012193 2191 H21 SLES 1 -37.3804 13.9531 41.1178 HAL2 2190 0 0 0 9.000000e-022194 2192 H22 SLES 1 -36.556 13.0704 42.4766 HAL2 2190 0 0 0 9.000000e-022195 2193 C3 SLES 1 -36.9321 11.9125 40.7416 CTL2 2190 2194 2195 2196 - 1.800000e-012196 2194 H31 SLES 1 -37.7491 11.8848 39.9702 HAL2 2193 0 0 0 9.000000e-022197 2195 H32 SLES 1 -36.9074 10.979 41.3691 HAL2 2193 0 0 0 9.000000e-022198 2196 C4 SLES 1 -35.6353 11.9668 40.001 CTL2 2193 2197 2198 2199 - 1.800000e-012199 2197 H41 SLES 1 -35.5786 12.8704 39.3452 HAL2 2196 0 0 0 9.000000e-022200 2198 H42 SLES 1 -34.7676 11.994 40.7012 HAL2 2196 0 0 0 9.000000e-022201 2199 C5 SLES 1 -35.773 10.6469 39.2303 CTL2 2196 2200 2201 2202 - 1.800000e-012202 2200 H51 SLES 1 -36.7029 10.6535 38.6015 HAL2 2199 0 0 0 9.000000e-022203 2201 H52 SLES 1 -35.9004 9.78835 39.9409 HAL2 2199 0 0 0 9.000000e-022204 2202 C6 SLES 1 -34.6717 10.2793 38.333 CTL2 2199 2203 2204 2205 - 1.800000e-012205 2203 H61 SLES 1 -35.1301 10.1301 37.3179 HAL2 2202 0 0 0 9.000000e-022206 2204 H62 SLES 1 -34.3252 9.26258 38.661 HAL2 2202 0 0 0 9.000000e-022207 2205 C7 SLES 1 -33.4885 11.2515 38.253 CTL2 2202 2206 2207 2208 - 1.800000e-012208 2206 H71 SLES 1 -33.7558 12.2592 37.8557 HAL2 2205 0 0 0 9.000000e-022209 2207 H72 SLES 1 -32.9409 11.3806 39.2154 HAL2 2205 0 0 0 9.000000e-022210 2208 C8 SLES 1 -32.6478 10.5166 37.2728 CTL2 2205 2209 2210 2211 - 1.800000e-012211 2209 H81 SLES 1 -33.2707 10.4056 36.3413 HAL2 2208 0 0 0 9.000000e-022212 2210 H82 SLES 1 -32.4393 9.50785 37.7304 HAL2 2208 0 0 0 9.000000e-022213 2211 C9 SLES 1 -31.3336 11.0684 36.8425 CTL2 2208 2212 2213 2214 - 1.800000e-012214 2212 H91 SLES 1 -31.4733 12.0603 36.3574 HAL2 2211 0 0 0 9.000000e-022215 2213 H92 SLES 1 -30.6575 11.1793 37.7198 HAL2 2211 0 0 0 9.000000e-022216 2214 C10 SLES 1 -30.8859 9.97899 35.8702 CTL2 2211 2215 2216 2217 - 1.800000e-012217 2215 H10 SLES 1 -31.6448 9.86394 35.0497 HAL2 2214 0 0 0 9.000000e-022218 2216 H10 SLES 1 -30.8348 8.99005 36.402 HAL2 2214 0 0 0 9.000000e-022219 2217 C11 SLES 1 -29.5582 10.2121 35.2258 CTL2 2214 2218 2219 2220 - 1.800000e-012220 2218 H11 SLES 1 -29.6194 11.1831 34.6813 HAL2 2217 0 0 0 9.000000e-022221 2219 H11 SLES 1 -28.8046 10.3043 36.0419 HAL2 2217 0 0 0 9.000000e-022222 2220 C12 SLES 1 -29.2416 9.04765 34.2831 CTL3 2217 2221 2222 2223 - 2.700000e-012223 2221 H12 SLES 1 -29.14 9.41726 33.2442 HAL3 2220 0 0 0 9.000000e-022224 2222 H12 SLES 1 -28.3193 8.53157 34.614 HAL3 2220 0 0 0 9.000000e-022225 2223 H12 SLES 1 -30.0513 8.27715 34.2706 HAL3 2220 0 0 0 9.000000e-022226 2224 NA SLES 1 -47.8631 1.64418 49.3046 NA 0 0 0 0 1 .000000e+002227 2225 S SLES 1 -48.1029 -0.607557 47.2931 SL 2226 2227 2228 2229 1.33 0000e+002228 2226 OS1 SLES 1 -46.8239 0.0495181 46.9742 OSL 2225 2230 0 0 - 2.800000e-012229 2227 OS2 SLES 1 -48.8176 0.637759 47.1228 O2L 2225 0 0 0 - 6.500000e-012230 2228 OS3 SLES 1 -47.6607 -0.880562 48.6411 O2L 2225 0 0 0 - 6.500000e-012231 2229 OS4 SLES 1 -48.2682 -1.67631 46.3484 O2L 2225 0 0 0 - 6.500000e-012232 2230 C2 SLES 1 -45.9184 -0.293442 46.0028 CC32A 2226 2231 2232 2233 - 1.100000e-012233 2231 H2A SLES 1 -46.3878 -0.239842 44.9851 HCA2 2230 0 0 0 9.000000e-022234 2232 H2B SLES 1 -45.5126 -1.32482 46.1791 HCA2 2230 0 0 0 9.000000e-022235 2233 C1 SLES 1 -44.829 0.785828 46.1813 CC32A 2230 2234 2235 2236 - 1.000000e-022236 2234 H1B SLES 1 -45.2542 1.81251 46.0347 HCA2 2233 0 0 0 9.000000e-022237 2235 H1A SLES 1 -44.3756 0.728524 47.2013 HCA2 2233 0 0 0 9.000000e-022238 2236 O1 SLES 1 -43.7214 0.763312 45.3407 OC30A 2233 2237 0 0 - 3.400000e-012239 2237 C2 SLES 1 -43.6622 -0.242648 44.346 CC32A 2236 2238 2239 2240 - 1.000000e-022240 2238 H2A SLES 1 -44.5486 -0.164001 43.6536 HCA2 2237 0 0 0 9.000000e-022241 2239 H2B SLES 1 -43.6591 -1.26114 44.8001 HCA2 2237 0 0 0 9.000000e-022242 2240 C1 SLES 1 -42.3714 0.478817 43.8128 CC32A 2237 2241 2242 2243 - 1.000000e-022243 2241 H1B SLES 1 -42.862 0.65649 42.8467 HCA2 2240 0 0 0 9.000000e-022244 2242 H1A SLES 1 -41.9049 -0.515444 44.1536 HCA2 2240 0 0 0 9.000000e-022245 2243 O1 SLES 1 -41.0631 0.661847 43.3367 OC30A 2240 2244 0 0 - 3.400000e-012246 2244 C1 SLES 1 -40.6653 -0.0556061 42.1769 CTL2 2243 2245 2246 2247 - 1.800000e-012247 2245 H11 SLES 1 -41.3828 -0.0306716 41.3099 HAL2 2244 0 0 0 9.000000e-022248 2246 H12 SLES 1 -40.4893 -1.13244 42.4259 HAL2 2244 0 0 0 9.000000e-022249 2247 C2 SLES 1 -39.3685 0.688909 41.8621 CTL2 2244 2248 2249 2250 - 1.800000e-012250 2248 H21 SLES 1 -39.5281 1.75006 41.5537 HAL2 2247 0 0 0 9.000000e-022251 2249 H22 SLES 1 -38.6326 0.661981 42.7023 HAL2 2247 0 0 0 9.000000e-022252 2250 C3 SLES 1 -38.8205 -0.0705721 40.7223 CTL2 2247 2251 2252 2253 - 1.800000e-012253 2251 H31 SLES 1 -39.6092 -0.00200562 39.9244 HAL2 2250 0 0 0 9.000000e-022254 2252 H32 SLES 1 -38.6946 -1.1202 41.1073 HAL2 2250 0 0 0 9.000000e-022255 2253 C4 SLES 1 -37.5235 0.312422 40.0867 CTL2 2250 2254 2255 2256 - 1.800000e-012256 2254 H41 SLES 1 -37.5642 1.34952 39.6713 HAL2 2253 0 0 0 9.000000e-022257 2255 H42 SLES 1 -36.6827 0.266707 40.818 HAL2 2253 0 0 0 9.000000e-022258 2256 C5 SLES 1 -37.4775 -0.785032 39.015 CTL2 2253 2257 2258 2259 - 1.800000e-012259 2257 H51 SLES 1 -38.3858 -0.731426 38.3576 HAL2 2256 0 0 0 9.000000e-022260 2258 H52 SLES 1 -37.5137 -1.8004 39.4905 HAL2 2256 0 0 0 9.000000e-022261 2259 C6 SLES 1 -36.318 -0.792326 38.1156 CTL2 2256 2260 2261 2262 - 1.800000e-012262 2260 H61 SLES 1 -36.7302 -0.739757 37.0715 HAL2 2259 0 0 0 9.000000e-022263 2261 H62 SLES 1 -35.8555 -1.81162 38.2075 HAL2 2259 0 0 0 9.000000e-022264 2262 C7 SLES 1 -35.2636 0.29928 38.3348 CTL2 2259 2263 2264 2265 - 1.800000e-012265 2263 H71 SLES 1 -35.6447 1.33595 38.1779 HAL2 2262 0 0 0 9.000000e-022266 2264 H72 SLES 1 -34.7592 0.250531 39.3278 HAL2 2262 0 0 0 9.000000e-022267 2265 C8 SLES 1 -34.315 -0.0712677 37.253 CTL2 2262 2266 2267 2268 - 1.800000e-012268 2266 H81 SLES 1 -34.897 -0.0213796 36.2902 HAL2 2265 0 0 0 9.000000e-022269 2267 H82 SLES 1 -33.9934 -1.13052 37.465 HAL2 2265 0 0 0 9.000000e-022270 2268 C9 SLES 1 -33.0699 0.716524 37.0386 CTL2 2265 2269 2270 2271 - 1.800000e-012271 2269 H91 SLES 1 -33.3205 1.77424 36.7995 HAL2 2268 0 0 0 9.000000e-022272 2270 H92 SLES 1 -32.4338 0.685989 37.9516 HAL2 2268 0 0 0 9.000000e-022273 2271 C10 SLES 1 -32.4672 -0.0423176 35.8581 CTL2 2268 2272 2273 2274 - 1.800000e-012274 2272 H10 SLES 1 -33.1862 -0.0391775 34.9948 HAL2 2271 0 0 0 9.000000e-022275 2273 H10 SLES 1 -32.3059 -1.11881 36.1385 HAL2 2271 0 0 0 9.000000e-022276 2274 C11 SLES 1 -31.1639 0.492708 35.3604 CTL2 2271 2275 2276 2277 - 1.800000e-012277 2275 H11 SLES 1 -31.3327 1.55386 35.0629 HAL2 2274 0 0 0 9.000000e-022278 2276 H11 SLES 1 -30.4472 0.468091 36.2137 HAL2 2274 0 0 0 9.000000e-022279 2277 C12 SLES 1 -30.6827 -0.360704 34.1835 CTL3 2274 2278 2279 2280 - 2.700000e-012280 2278 H12 SLES 1 -30.6033 0.261463 33.271 HAL3 2277 0 0 0 9.000000e-022281 2279 H12 SLES 1 -29.7114 -0.832578 34.4293 HAL3 2277 0 0 0 9.000000e-022282 2280 H12 SLES 1 -31.3896 -1.19245 33.943 HAL3 2277 0 0 0 9.000000e-022283 2281 NA SLES 1 -45.6255 -13.5872 49.6591 NA 0 0 0 0 1 .000000e+002284 2282 S SLES 1 -45.7116 -15.301 47.1631 SL 2283 2284 2285 2286 1.33 0000e+002285 2283 OS1 SLES 1 -44.5355 -14.4325 46.9849 OSL 2282 2287 0 0 - 2.800000e-012286 2284 OS2 SLES 1 -46.5729 -14.1502 47.3203 O2L 2282 0 0 0 - 6.500000e-012287 2285 OS3 SLES 1 -45.1698 -15.8329 48.3923 O2L 2282 0 0 0 - 6.500000e-012288 2286 OS4 SLES 1 -45.803 -16.1232 45.9895 O2L 2282 0 0 0 - 6.500000e-012289 2287 C2 SLES 1 -43.6496 -14.4163 45.938 CC32A 2283 2288 2289 2290 - 1.100000e-012290 2288 H2A SLES 1 -44.1756 -14.1785 44.9758 HCA2 2287 0 0 0 9.000000e-022291 2289 H2B SLES 1 -43.1191 -15.4011 45.8464 HCA2 2287 0 0 0 9.000000e-022292 2290 C1 SLES 1 -42.6836 -13.2847 46.3499 CC32A 2287 2291 2292 2293 - 1.000000e-022293 2291 H1B SLES 1 -43.2312 -12.314 46.4695 HCA2 2290 0 0 0 9.000000e-022294 2292 H1A SLES 1 -42.1729 -13.5287 47.3137 HCA2 2290 0 0 0 9.000000e-022295 2293 O1 SLES 1 -41.627 -12.9663 45.5034 OC30A 2290 2294 0 0 - 3.400000e-012296 2294 C2 SLES 1 -41.5057 -13.6881 44.2913 CC32A 2293 2295 2296 2297 - 1.000000e-022297 2295 H2A SLES 1 -42.4309 -13.5563 43.6605 HCA2 2294 0 0 0 9.000000e-022298 2296 H2B SLES 1 -41.3613 -14.7774 44.4817 HCA2 2294 0 0 0 9.000000e-022299 2297 C1 SLES 1 -40.3367 -12.7047 43.9209 CC32A 2294 2298 2299 2300 - 1.000000e-022300 2298 H1B SLES 1 -40.8952 -12.3624 43.0398 HCA2 2297 0 0 0 9.000000e-022301 2299 H1A SLES 1 -39.7414 -13.6857 43.9965 HCA2 2297 0 0 0 9.000000e-022302 2300 O1 SLES 1 -39.0853 -12.2511 43.4734 OC30A 2297 2301 0 0 - 3.400000e-012303 2301 C1 SLES 1 -38.67 -12.6134 42.1641 CTL2 2300 2302 2303 2304 - 1.800000e-012304 2302 H11 SLES 1 -39.4308 -12.4702 41.3469 HAL2 2301 0 0 0 9.000000e-022305 2303 H12 SLES 1 -38.3584 -13.6879 42.1372 HAL2 2301 0 0 0 9.000000e-022306 2304 C2 SLES 1 -37.4861 -11.6595 42.0109 CTL2 2301 2305 2306 2307 - 1.800000e-012307 2305 H21 SLES 1 -37.7828 -10.5837 41.9758 HAL2 2304 0 0 0 9.000000e-022308 2306 H22 SLES 1 -36.7082 -11.7959 42.8012 HAL2 2304 0 0 0 9.000000e-022309 2307 C3 SLES 1 -36.9159 -12.0483 40.707 CTL2 2304 2308 2309 2310 - 1.800000e-012310 2308 H31 SLES 1 -37.7486 -11.8887 39.9692 HAL2 2307 0 0 0 9.000000e-022311 2309 H32 SLES 1 -36.6498 -13.1357 40.8199 HAL2 2307 0 0 0 9.000000e-022312 2310 C4 SLES 1 -35.7072 -11.3653 40.1542 CTL2 2307 2311 2312 2313 - 1.800000e-012313 2311 H41 SLES 1 -35.889 -10.2722 40.0069 HAL2 2310 0 0 0 9.000000e-022314 2312 H42 SLES 1 -34.829 -11.4805 40.832 HAL2 2310 0 0 0 9.000000e-022315 2313 C5 SLES 1 -35.5925 -12.1583 38.8454 CTL2 2310 2314 2315 2316 - 1.800000e-012316 2314 H51 SLES 1 -36.5347 -12.0617 38.2429 HAL2 2313 0 0 0 9.000000e-022317 2315 H52 SLES 1 -35.4864 -13.2546 39.0582 HAL2 2313 0 0 0 9.000000e-022318 2316 C6 SLES 1 -34.4895 -11.8047 37.9445 CTL2 2313 2317 2318 2319 - 1.800000e-012319 2317 H61 SLES 1 -34.96 -11.5544 36.9552 HAL2 2316 0 0 0 9.000000e-022320 2318 H62 SLES 1 -33.9086 -12.7505 37.7727 HAL2 2316 0 0 0 9.000000e-022321 2319 C7 SLES 1 -33.5573 -10.6753 38.3997 CTL2 2316 2320 2321 2322 - 1.800000e-012322 2320 H71 SLES 1 -34.063 -9.68712 38.5107 HAL2 2319 0 0 0 9.000000e-022323 2321 H72 SLES 1 -32.9986 -10.8983 39.3382 HAL2 2319 0 0 0 9.000000e-022324 2322 C8 SLES 1 -32.6315 -10.6538 37.2379 CTL2 2319 2323 2324 2325 - 1.800000e-012325 2323 H81 SLES 1 -33.2658 -10.4467 36.3308 HAL2 2322 0 0 0 9.000000e-022326 2324 H82 SLES 1 -32.1793 -11.6844 37.1761 HAL2 2322 0 0 0 9.000000e-022327 2325 C9 SLES 1 -31.4984 -9.68887 37.1938 CTL2 2322 2326 2327 2328 - 1.800000e-012328 2326 H91 SLES 1 -31.8813 -8.64438 37.2274 HAL2 2325 0 0 0 9.000000e-022329 2327 H92 SLES 1 -30.8152 -9.85861 38.0562 HAL2 2325 0 0 0 9.000000e-022330 2328 C10 SLES 1 -30.8762 -10.0605 35.8494 CTL2 2325 2329 2330 2331 - 1.800000e-012331 2329 H10 SLES 1 -31.6358 -9.93937 35.0305 HAL2 2328 0 0 0 9.000000e-022332 2330 H10 SLES 1 -30.5775 -11.1441 35.8534 HAL2 2328 0 0 0 9.000000e-022333 2331 C11 SLES 1 -29.6715 -9.26348 35.4674 CTL2 2328 2332 2333 2334 - 1.800000e-012334 2332 H11 SLES 1 -29.9768 -8.19145 35.4432 HAL2 2331 0 0 0 9.000000e-022335 2333 H11 SLES 1 -28.9122 -9.40314 36.2715 HAL2 2331 0 0 0 9.000000e-022336 2334 C12 SLES 1 -29.1587 -9.7421 34.1062 CTL3 2331 2335 2336 2337 - 2.700000e-012337 2335 H12 SLES 1 -29.2001 -8.91387 33.3724 HAL3 2334 0 0 0 9.000000e-022338 2336 H12 SLES 1 -28.1279 -10.1345 34.2057 HAL3 2334 0 0 0 9.000000e-022339 2337 H12 SLES 1 -29.7771 -10.573 33.6859 HAL3 2334 0 0 0 9.000000e-022340 2338 NA SLES 1 -38.7132 -27.3921 49.8817 NA 0 0 0 0 1 .000000e+002341 2339 S SLES 1 -38.9262 -28.5331 47.084 SL 2340 2341 2342 2343 1.33 0000e+002342 2340 OS1 SLES 1 -37.8816 -27.499 46.9919 OSL 2339 2344 0 0 - 2.800000e-012343 2341 OS2 SLES 1 -39.8795 -27.5661 47.5808 O2L 2339 0 0 0 - 6.500000e-012344 2342 OS3 SLES 1 -38.1811 -29.2374 48.1019 O2L 2339 0 0 0 - 6.500000e-012345 2343 OS4 SLES 1 -39.0748 -29.0923 45.7698 O2L 2339 0 0 0 - 6.500000e-012346 2344 C2 SLES 1 -37.1404 -27.144 45.8938 CC32A 2340 2345 2346 2347 - 1.100000e-012347 2345 H2A SLES 1 -37.805 -26.779 45.0667 HCA2 2344 0 0 0 9.000000e-022348 2346 H2B SLES 1 -36.5229 -28.0079 45.5305 HCA2 2344 0 0 0 9.000000e-022349 2347 C1 SLES 1 -36.2575 -26.008 46.4537 CC32A 2344 2348 2349 2350 - 1.000000e-022350 2348 H1B SLES 1 -36.8868 -25.166 46.8426 HCA2 2347 0 0 0 9.000000e-022351 2349 H1A SLES 1 -35.6071 -26.3813 47.2825 HCA2 2347 0 0 0 9.000000e-022352 2350 O1 SLES 1 -35.3553 -25.3804 45.6014 OC30A 2347 2351 0 0 - 3.400000e-012353 2351 C2 SLES 1 -35.3096 -25.806 44.2517 CC32A 2350 2352 2353 2354 - 1.000000e-022354 2352 H2A SLES 1 -36.3153 -25.6668 43.761 HCA2 2351 0 0 0 9.000000e-022355 2353 H2B SLES 1 -35.0266 -26.882 44.176 HCA2 2351 0 0 0 9.000000e-022356 2354 C1 SLES 1 -34.3084 -24.6207 44 CC32A 2351 2355 2356 2357 - 1.000000e-022357 2355 H1B SLES 1 -35.0062 -24.1761 43.2782 HCA2 2354 0 0 0 9.000000e-022358 2356 H1A SLES 1 -33.6066 -25.5078 43.7932 HCA2 2354 0 0 0 9.000000e-022359 2357 O1 SLES 1 -33.1787 -23.9211 43.5458 OC30A 2354 2358 0 0 - 3.400000e-012360 2358 C1 SLES 1 -32.8939 -23.9391 42.1542 CTL2 2357 2359 2360 2361 - 1.800000e-012361 2359 H11 SLES 1 -33.7618 -23.7276 41.4692 HAL2 2358 0 0 0 9.000000e-022362 2360 H12 SLES 1 -32.4746 -24.9326 41.8548 HAL2 2358 0 0 0 9.000000e-022363 2361 C2 SLES 1 -31.8476 -22.8264 42.1048 CTL2 2358 2362 2363 2364 - 1.800000e-012364 2362 H21 SLES 1 -32.2601 -21.8166 42.343 HAL2 2361 0 0 0 9.000000e-022365 2363 H22 SLES 1 -30.9669 -23.0234 42.7636 HAL2 2361 0 0 0 9.000000e-022366 2364 C3 SLES 1 -31.4064 -22.8508 40.6973 CTL2 2361 2365 2366 2367 - 1.800000e-012367 2365 H31 SLES 1 -32.3371 -22.6497 40.1 HAL2 2364 0 0 0 9.000000e-022368 2366 H32 SLES 1 -31.0133 -23.8924 40.535 HAL2 2364 0 0 0 9.000000e-022369 2367 C4 SLES 1 -30.3566 -21.9124 40.197 CTL2 2364 2368 2369 2370 - 1.800000e-012370 2368 H41 SLES 1 -30.6716 -20.8467 40.319 HAL2 2367 0 0 0 9.000000e-022371 2369 H42 SLES 1 -29.3933 -22.0516 40.7416 HAL2 2367 0 0 0 9.000000e-022372 2370 C5 SLES 1 -30.322 -22.3872 38.7381 CTL2 2367 2371 2372 2373 - 1.800000e-012373 2371 H51 SLES 1 -31.337 -22.2904 38.2686 HAL2 2370 0 0 0 9.000000e-022374 2372 H52 SLES 1 -30.0731 -23.4798 38.6864 HAL2 2370 0 0 0 9.000000e-022375 2373 C6 SLES 1 -29.3845 -21.7079 37.8365 CTL2 2370 2374 2375 2376 - 1.800000e-012376 2374 H61 SLES 1 -29.9991 -21.3177 36.9804 HAL2 2373 0 0 0 9.000000e-022377 2375 H62 SLES 1 -28.7316 -22.5103 37.3994 HAL2 2373 0 0 0 9.000000e-022378 2376 C7 SLES 1 -28.5294 -20.5877 38.4412 CTL2 2373 2377 2378 2379 - 1.800000e-012379 2377 H71 SLES 1 -29.1203 -19.7213 38.8217 HAL2 2376 0 0 0 9.000000e-022380 2378 H72 SLES 1 -27.8371 -20.9289 39.2456 HAL2 2376 0 0 0 9.000000e-022381 2379 C8 SLES 1 -27.7637 -20.1979 37.2291 CTL2 2376 2380 2381 2382 - 1.800000e-012382 2380 H81 SLES 1 -28.525 -19.8887 36.459 HAL2 2379 0 0 0 9.000000e-022383 2381 H82 SLES 1 -27.2149 -21.1229 36.892 HAL2 2379 0 0 0 9.000000e-022384 2382 C9 SLES 1 -26.7552 -19.1045 37.293 CTL2 2379 2383 2384 2385 - 1.800000e-012385 2383 H91 SLES 1 -27.2407 -18.1509 37.599 HAL2 2382 0 0 0 9.000000e-022386 2384 H92 SLES 1 -25.9553 -19.3615 38.0233 HAL2 2382 0 0 0 9.000000e-022387 2385 C10 SLES 1 -26.2696 -19.0967 35.845 CTL2 2382 2386 2387 2388 - 1.800000e-012388 2386 H10 SLES 1 -27.1341 -18.906 35.1532 HAL2 2385 0 0 0 9.000000e-022389 2387 H10 SLES 1 -25.8582 -20.1072 35.5748 HAL2 2385 0 0 0 9.000000e-022390 2388 C11 SLES 1 -25.2145 -18.0847 35.5364 CTL2 2385 2389 2390 2391 - 1.800000e-012391 2389 H11 SLES 1 -25.6337 -17.0819 35.785 HAL2 2388 0 0 0 9.000000e-022392 2390 H11 SLES 1 -24.3502 -18.2902 36.2095 HAL2 2388 0 0 0 9.000000e-022393 2391 C12 SLES 1 -24.8275 -18.1914 34.0586 CTL3 2388 2392 2393 2394 - 2.700000e-012394 2392 H12 SLES 1 -25.049 -17.2392 33.5386 HAL3 2391 0 0 0 9.000000e-022395 2393 H12 SLES 1 -23.7563 -18.4562 33.9652 HAL3 2391 0 0 0 9.000000e-022396 2394 H12 SLES 1 -25.4009 -18.9884 33.5244 HAL3 2391 0 0 0 9.000000e-022397 2395 NA SLES 1 -27.8044 -38.3484 49.9505 NA 0 0 0 0 1 .000000e+002398 2396 S SLES 1 -28.4096 -39.0356 47.0633 SL 2397 2398 2399 2400 1.33 0000e+002399 2397 OS1 SLES 1 -27.5135 -37.8687 46.9943 OSL 2396 2401 0 0 - 2.800000e-012400 2398 OS2 SLES 1 -29.3505 -38.3005 47.8788 O2L 2396 0 0 0 - 6.500000e-012401 2399 OS3 SLES 1 -27.4201 -39.7893 47.7984 O2L 2396 0 0 0 - 6.500000e-012402 2400 OS4 SLES 1 -28.7388 -39.3876 45.7107 O2L 2396 0 0 0 - 6.500000e-012403 2401 C2 SLES 1 -27.0288 -37.2424 45.8745 CC32A 2397 2402 2403 2404 - 1.100000e-012404 2402 H2A SLES 1 -27.8689 -36.8405 45.2487 HCA2 2401 0 0 0 9.000000e-022405 2403 H2B SLES 1 -26.4021 -37.9439 45.2624 HCA2 2401 0 0 0 9.000000e-022406 2404 C1 SLES 1 -26.1811 -36.1042 46.4826 CC32A 2401 2405 2406 2407 - 1.000000e-022407 2405 H1B SLES 1 -26.8123 -35.4299 47.1176 HCA2 2404 0 0 0 9.000000e-022408 2406 H1A SLES 1 -25.3537 -36.5164 47.1109 HCA2 2404 0 0 0 9.000000e-022409 2407 O1 SLES 1 -25.5222 -35.2299 45.6251 OC30A 2404 2408 0 0 - 3.400000e-012410 2408 C2 SLES 1 -25.6821 -35.4193 44.231 CC32A 2407 2409 2410 2411 - 1.000000e-022411 2409 H2A SLES 1 -26.7699 -35.3391 43.9452 HCA2 2408 0 0 0 9.000000e-022412 2410 H2B SLES 1 -25.3071 -36.4203 43.913 HCA2 2408 0 0 0 9.000000e-022413 2411 C1 SLES 1 -24.8737 -34.0845 44.0423 CC32A 2408 2412 2413 2414 - 1.000000e-022414 2412 H1B SLES 1 -25.7351 -33.6265 43.5385 HCA2 2411 0 0 0 9.000000e-022415 2413 H1A SLES 1 -24.1334 -34.8229 43.5636 HCA2 2411 0 0 0 9.000000e-022416 2414 O1 SLES 1 -23.9264 -33.174 43.5467 OC30A 2411 2415 0 0 - 3.400000e-012417 2415 C1 SLES 1 -23.9028 -32.9259 42.1482 CTL2 2414 2416 2417 2418 - 1.800000e-012418 2416 H11 SLES 1 -24.8994 -32.7248 41.6649 HAL2 2415 0 0 0 9.000000e-022419 2417 H12 SLES 1 -23.4446 -33.7914 41.6063 HAL2 2415 0 0 0 9.000000e-022420 2418 C2 SLES 1 -23.0055 -31.6891 42.1347 CTL2 2415 2419 2420 2421 - 1.800000e-012421 2419 H21 SLES 1 -23.4701 -30.7969 42.6191 HAL2 2418 0 0 0 9.000000e-022422 2420 H22 SLES 1 -22.0028 -31.8701 42.5931 HAL2 2418 0 0 0 9.000000e-022423 2421 C3 SLES 1 -22.8314 -31.4236 40.6941 CTL2 2418 2422 2423 2424 - 1.800000e-012424 2422 H31 SLES 1 -23.8721 -31.2553 40.3042 HAL2 2421 0 0 0 9.000000e-022425 2423 H32 SLES 1 -22.3684 -32.3618 40.2804 HAL2 2421 0 0 0 9.000000e-022426 2424 C4 SLES 1 -21.9956 -30.2829 40.2109 CTL2 2421 2425 2426 2427 - 1.800000e-012427 2425 H41 SLES 1 -22.3922 -29.3039 40.5771 HAL2 2424 0 0 0 9.000000e-022428 2426 H42 SLES 1 -20.9393 -30.3777 40.5558 HAL2 2424 0 0 0 9.000000e-022429 2427 C5 SLES 1 -22.1813 -30.5042 38.7037 CTL2 2424 2428 2429 2430 - 1.800000e-012430 2428 H51 SLES 1 -23.27 -30.4701 38.4322 HAL2 2427 0 0 0 9.000000e-022431 2429 H52 SLES 1 -21.8336 -31.5299 38.4114 HAL2 2427 0 0 0 9.000000e-022432 2430 C6 SLES 1 -21.5024 -29.5664 37.8022 CTL2 2427 2431 2432 2433 - 1.800000e-012433 2431 H61 SLES 1 -22.3016 -29.1284 37.1448 HAL2 2430 0 0 0 9.000000e-022434 2432 H62 SLES 1 -20.8612 -30.191 37.1239 HAL2 2430 0 0 0 9.000000e-022435 2433 C7 SLES 1 -20.672 -28.4548 38.4553 CTL2 2430 2434 2435 2436 - 1.800000e-012436 2434 H71 SLES 1 -21.2697 -27.7501 39.0803 HAL2 2433 0 0 0 9.000000e-022437 2435 H72 SLES 1 -19.8114 -28.8259 39.0589 HAL2 2433 0 0 0 9.000000e-022438 2436 C8 SLES 1 -20.1879 -27.7725 37.2274 CTL2 2433 2437 2438 2439 - 1.800000e-012439 2437 H81 SLES 1 -21.1062 -27.4476 36.6623 HAL2 2436 0 0 0 9.000000e-022440 2438 H82 SLES 1 -19.6172 -28.5473 36.6405 HAL2 2436 0 0 0 9.000000e-022441 2439 C9 SLES 1 -19.3046 -26.5781 37.3264 CTL2 2436 2440 2441 2442 - 1.800000e-012442 2440 H91 SLES 1 -19.8221 -25.7617 37.8782 HAL2 2439 0 0 0 9.000000e-022443 2441 H92 SLES 1 -18.3614 -26.8404 37.8563 HAL2 2439 0 0 0 9.000000e-022444 2442 C10 SLES 1 -19.0979 -26.2685 35.8452 CTL2 2439 2443 2444 2445 - 1.800000e-012445 2443 H10 SLES 1 -20.0903 -26.0861 35.351 HAL2 2442 0 0 0 9.000000e-022446 2444 H10 SLES 1 -18.6403 -27.1564 35.3298 HAL2 2442 0 0 0 9.000000e-022447 2445 C11 SLES 1 -18.2294 -25.0865 35.5605 CTL2 2442 2446 2447 2448 - 1.800000e-012448 2446 H11 SLES 1 -18.6978 -24.2037 36.0549 HAL2 2445 0 0 0 9.000000e-022449 2447 H11 SLES 1 -17.239 -25.2804 36.034 HAL2 2445 0 0 0 9.000000e-022450 2448 C12 SLES 1 -18.1126 -24.8973 34.0455 CTL3 2445 2449 2450 2451 - 2.700000e-012451 2449 H12 SLES 1 -18.5243 -23.9118 33.7532 HAL3 2448 0 0 0 9.000000e-022452 2450 H12 SLES 1 -17.0552 -24.9961 33.7312 HAL3 2448 0 0 0 9.000000e-022453 2451 H12 SLES 1 -18.6883 -25.6665 33.4742 HAL3 2448 0 0 0 9.000000e-022454 2452 NA SLES 1 -14.0099 -45.3269 49.8589 NA 0 0 0 0 1 .000000e+002455 2453 S SLES 1 -15.1743 -45.8011 47.1032 SL 2454 2455 2456 2457 1.33 0000e+002456 2454 OS1 SLES 1 -14.4475 -44.5249 46.992 OSL 2453 2458 0 0 - 2.800000e-012457 2455 OS2 SLES 1 -15.9799 -45.2806 48.1852 O2L 2453 0 0 0 - 6.500000e-012458 2456 OS3 SLES 1 -13.9694 -46.4859 47.5114 O2L 2453 0 0 0 - 6.500000e-012459 2457 OS4 SLES 1 -15.7608 -46.059 45.8182 O2L 2453 0 0 0 - 6.500000e-012460 2458 C2 SLES 1 -14.2982 -43.7331 45.8821 CC32A 2454 2459 2460 2461 - 1.100000e-012461 2459 H2A SLES 1 -15.2961 -43.3863 45.5041 HCA2 2458 0 0 0 9.000000e-022462 2460 H2B SLES 1 -13.7545 -44.282 45.0681 HCA2 2458 0 0 0 9.000000e-022463 2461 C1 SLES 1 -13.4622 -42.5582 46.4338 CC32A 2458 2462 2463 2464 - 1.000000e-022464 2462 H1B SLES 1 -14.0022 -42.0388 47.2675 HCA2 2461 0 0 0 9.000000e-022465 2463 H1A SLES 1 -12.475 -42.917 46.8156 HCA2 2461 0 0 0 9.000000e-022466 2464 O1 SLES 1 -13.1117 -41.5244 45.5721 OC30A 2461 2465 0 0 - 3.400000e-012467 2465 C2 SLES 1 -13.561 -41.5954 44.2313 CC32A 2464 2466 2467 2468 - 1.000000e-022468 2466 H2A SLES 1 -14.6874 -41.632 44.1952 HCA2 2465 0 0 0 9.000000e-022469 2467 H2B SLES 1 -13.1625 -42.5019 43.7184 HCA2 2465 0 0 0 9.000000e-022470 2468 C1 SLES 1 -12.9642 -40.1534 44.0436 CC32A 2465 2469 2470 2471 - 1.000000e-022471 2469 H1B SLES 1 -13.9612 -39.7661 43.7954 HCA2 2468 0 0 0 9.000000e-022472 2470 H1A SLES 1 -12.2762 -40.7369 43.3303 HCA2 2468 0 0 0 9.000000e-022473 2471 O1 SLES 1 -12.2566 -39.0814 43.476 OC30A 2468 2472 0 0 - 3.400000e-012474 2472 C1 SLES 1 -12.5762 -38.6962 42.1466 CTL2 2471 2473 2474 2475 - 1.800000e-012475 2473 H11 SLES 1 -13.6719 -38.5821 41.9149 HAL2 2472 0 0 0 9.000000e-022476 2474 H12 SLES 1 -12.1621 -39.436 41.416 HAL2 2472 0 0 0 9.000000e-022477 2475 C2 SLES 1 -11.8432 -37.3564 42.0977 CTL2 2472 2476 2477 2478 - 1.800000e-012478 2476 H21 SLES 1 -12.2793 -36.5853 42.7773 HAL2 2475 0 0 0 9.000000e-022479 2477 H22 SLES 1 -10.7493 -37.4473 42.3065 HAL2 2475 0 0 0 9.000000e-022480 2478 C3 SLES 1 -12.0285 -36.9299 40.6976 CTL2 2475 2479 2480 2481 - 1.800000e-012481 2479 H31 SLES 1 -13.1422 -36.8633 40.5617 HAL2 2478 0 0 0 9.000000e-022482 2480 H32 SLES 1 -11.573 -37.7535 40.0812 HAL2 2478 0 0 0 9.000000e-022483 2481 C4 SLES 1 -11.4507 -35.6469 40.1946 CTL2 2478 2482 2483 2484 - 1.800000e-012484 2482 H41 SLES 1 -11.857 -34.7696 40.756 HAL2 2481 0 0 0 9.000000e-022485 2483 H42 SLES 1 -10.3398 -35.6346 40.2928 HAL2 2481 0 0 0 9.000000e-022486 2484 C5 SLES 1 -11.9472 -35.7416 38.7456 CTL2 2481 2485 2486 2487 - 1.800000e-012487 2485 H51 SLES 1 -13.0662 -35.8252 38.7177 HAL2 2484 0 0 0 9.000000e-022488 2486 H52 SLES 1 -11.5665 -36.6786 38.2603 HAL2 2484 0 0 0 9.000000e-022489 2487 C6 SLES 1 -11.594 -34.6383 37.8449 CTL2 2484 2488 2489 2490 - 1.800000e-012490 2488 H61 SLES 1 -12.5633 -34.2474 37.4321 HAL2 2487 0 0 0 9.000000e-022491 2489 H62 SLES 1 -11.0593 -35.103 36.9734 HAL2 2487 0 0 0 9.000000e-022492 2490 C7 SLES 1 -10.7618 -33.4963 38.4405 CTL2 2487 2491 2492 2493 - 1.800000e-012493 2491 H71 SLES 1 -11.2749 -32.9416 39.2613 HAL2 2490 0 0 0 9.000000e-022494 2492 H72 SLES 1 -9.75237 -33.8079 38.7966 HAL2 2490 0 0 0 9.000000e-022495 2493 C8 SLES 1 -10.6436 -32.6387 37.233 CTL2 2490 2494 2495 2496 - 1.800000e-012496 2494 H81 SLES 1 -11.6952 -32.3841 36.9209 HAL2 2493 0 0 0 9.000000e-022497 2495 H82 SLES 1 -10.1404 -33.2698 36.4463 HAL2 2493 0 0 0 9.000000e-022498 2496 C9 SLES 1 -9.89408 -31.3535 37.2908 CTL2 2493 2497 2498 2499 - 1.800000e-012499 2497 H91 SLES 1 -10.3581 -30.6709 38.0374 HAL2 2496 0 0 0 9.000000e-022500 2498 H92 SLES 1 -8.83303 -31.5396 37.5714 HAL2 2496 0 0 0 9.000000e-022501 2499 C10 SLES 1 -10.0617 -30.8753 35.85 CTL2 2496 2500 2501 2502 - 1.800000e-012502 2500 H10 SLES 1 -11.1538 -30.778 35.6045 HAL2 2499 0 0 0 9.000000e-022503 2501 H10 SLES 1 -9.63982 -31.6399 35.1424 HAL2 2499 0 0 0 9.000000e-022504 2502 C11 SLES 1 -9.41187 -29.5667 35.5375 CTL2 2499 2503 2504 2505 - 1.800000e-012505 2503 H11 SLES 1 -9.84846 -28.8064 36.2264 HAL2 2502 0 0 0 9.000000e-022506 2504 H11 SLES 1 -8.32528 -29.6735 35.762 HAL2 2502 0 0 0 9.000000e-022507 2505 C12 SLES 1 -9.66127 -29.2158 34.068 CTL3 2502 2506 2507 2508 - 2.700000e-012508 2506 H12 SLES 1 -10.2316 -28.2694 33.9953 HAL3 2505 0 0 0 9.000000e-022509 2507 H12 SLES 1 -8.6979 -29.1425 33.5267 HAL3 2505 0 0 0 9.000000e-022510 2508 H12 SLES 1 -10.2652 -29.9945 33.5404 HAL3 2505 0 0 0 9.000000e-022511 2509 NA SLES 1 1.2519 -47.6243 49.6158 NA 0 0 0 0 1 .000000e+002512 2510 S SLES 1 -0.48998 -48.1745 47.1998 SL 2511 2512 2513 2514 1.33 0000e+002513 2511 OS1 SLES 1 0.0356554 -46.8155 46.9852 OSL 2510 2515 0 0 - 2.800000e-012514 2512 OS2 SLES 1 -1.06018 -47.784 48.4698 O2L 2510 0 0 0 - 6.500000e-012515 2513 OS3 SLES 1 0.848698 -48.7134 47.2692 O2L 2510 0 0 0 - 6.500000e-012516 2514 OS4 SLES 1 -1.34 -48.4729 46.0816 O2L 2510 0 0 0 - 6.500000e-012517 2515 C2 SLES 1 -0.183811 -45.9852 45.9158 CC32A 2511 2516 2517 2518 - 1.100000e-012518 2516 H2A SLES 1 -1.27696 -45.7565 45.8079 HCA2 2515 0 0 0 9.000000e-022519 2517 H2B SLES 1 0.203164 -46.4428 44.9669 HCA2 2515 0 0 0 9.000000e-022520 2518 C1 SLES 1 0.621073 -44.7287 46.3121 CC32A 2515 2519 2520 2521 - 1.000000e-022521 2519 H1B SLES 1 0.245908 -44.3005 47.2776 HCA2 2518 0 0 0 9.000000e-022522 2520 H1A SLES 1 1.7063 -44.9708 46.4256 HCA2 2518 0 0 0 9.000000e-022523 2521 O1 SLES 1 0.6284 -43.6392 45.4477 OC30A 2518 2522 0 0 - 3.400000e-012524 2522 C2 SLES 1 -0.124691 -43.734 44.2524 CC32A 2521 2523 2524 2525 - 1.000000e-022525 2523 H2A SLES 1 -1.21367 -43.9096 44.4863 HCA2 2522 0 0 0 9.000000e-022526 2524 H2B SLES 1 0.23748 -44.5714 43.6112 HCA2 2522 0 0 0 9.000000e-022527 2525 C1 SLES 1 0.238069 -42.2248 44.0038 CC32A 2522 2526 2527 2528 - 1.000000e-022528 2526 H1B SLES 1 -0.827066 -41.9589 44.0237 HCA2 2525 0 0 0 9.000000e-022529 2527 H1A SLES 1 0.792486 -42.7011 43.116 HCA2 2525 0 0 0 9.000000e-022530 2528 O1 SLES 1 0.656792 -41.06 43.3407 OC30A 2525 2529 0 0 - 3.400000e-012531 2529 C1 SLES 1 -0.0211082 -40.6863 42.1496 CTL2 2528 2530 2531 2532 - 1.800000e-012532 2530 H11 SLES 1 -1.1458 -40.704 42.1946 HAL2 2529 0 0 0 9.000000e-022533 2531 H12 SLES 1 0.28348 -41.3513 41.3025 HAL2 2529 0 0 0 9.000000e-022534 2532 C2 SLES 1 0.518503 -39.2648 41.9973 CTL2 2529 2533 2534 2535 - 1.800000e-012535 2533 H21 SLES 1 0.176663 -38.5703 42.8019 HAL2 2532 0 0 0 9.000000e-022536 2534 H22 SLES 1 1.63312 -39.2238 41.9319 HAL2 2532 0 0 0 9.000000e-022537 2535 C3 SLES 1 -0.0521241 -38.8317 40.7077 CTL2 2532 2536 2537 2538 - 1.800000e-012538 2536 H31 SLES 1 -1.16526 -38.9011 40.8473 HAL2 2535 0 0 0 9.000000e-022539 2537 H32 SLES 1 0.329941 -39.5774 39.9569 HAL2 2535 0 0 0 9.000000e-022540 2538 C4 SLES 1 0.233177 -37.4752 40.1495 CTL2 2535 2539 2540 2541 - 1.800000e-012541 2539 H41 SLES 1 -0.121143 -36.6689 40.8381 HAL2 2538 0 0 0 9.000000e-022542 2540 H42 SLES 1 1.32523 -37.3271 39.9782 HAL2 2538 0 0 0 9.000000e-022543 2541 C5 SLES 1 -0.589096 -37.5968 38.8595 CTL2 2538 2542 2543 2544 - 1.800000e-012544 2542 H51 SLES 1 -1.66356 -37.8184 39.0971 HAL2 2541 0 0 0 9.000000e-022545 2543 H52 SLES 1 -0.233893 -38.4674 38.2477 HAL2 2541 0 0 0 9.000000e-022546 2544 C6 SLES 1 -0.596769 -36.4371 37.9604 CTL2 2541 2545 2546 2547 - 1.800000e-012547 2545 H61 SLES 1 -1.67606 -36.1602 37.8143 HAL2 2544 0 0 0 9.000000e-022548 2546 H62 SLES 1 -0.242321 -36.8108 36.9625 HAL2 2544 0 0 0 9.000000e-022549 2547 C7 SLES 1 0.219079 -35.2147 38.3985 CTL2 2544 2548 2549 2550 - 1.800000e-012550 2548 H71 SLES 1 -0.137471 -34.7478 39.3468 HAL2 2547 0 0 0 9.000000e-022551 2549 H72 SLES 1 1.31388 -35.4065 38.4842 HAL2 2547 0 0 0 9.000000e-022552 2550 C8 SLES 1 -0.0617829 -34.3208 37.2454 CTL2 2547 2551 2552 2553 - 1.800000e-012553 2551 H81 SLES 1 -1.1799 -34.1918 37.2093 HAL2 2550 0 0 0 9.000000e-022554 2552 H82 SLES 1 0.302254 -34.8656 36.3283 HAL2 2550 0 0 0 9.000000e-022555 2553 C9 SLES 1 0.526095 -32.954 37.1897 CTL2 2550 2554 2555 2556 - 1.800000e-012556 2554 H91 SLES 1 0.183926 -32.3524 38.0612 HAL2 2553 0 0 0 9.000000e-022557 2555 H92 SLES 1 1.63769 -33.0131 37.1965 HAL2 2553 0 0 0 9.000000e-022558 2556 C10 SLES 1 -0.0435056 -32.4665 35.8591 CTL2 2553 2557 2558 2559 - 1.800000e-012559 2557 H10 SLES 1 -1.1661 -32.5002 35.8889 HAL2 2556 0 0 0 9.000000e-022560 2558 H10 SLES 1 0.277096 -33.1557 35.031 HAL2 2556 0 0 0 9.000000e-022561 2559 C11 SLES 1 0.355008 -31.0801 35.4696 CTL2 2556 2560 2561 2562 - 1.800000e-012562 2560 H11 SLES 1 0.0162057 -30.3967 36.2828 HAL2 2559 0 0 0 9.000000e-022563 2561 H11 SLES 1 1.46831 -31.0561 35.4202 HAL2 2559 0 0 0 9.000000e-022564 2562 C12 SLES 1 -0.285688 -30.7283 34.124 CTL3 2559 2563 2564 2565 - 2.700000e-012565 2563 H12 SLES 1 -0.961353 -29.8589 34.2411 HAL3 2562 0 0 0 9.000000e-022566 2564 H12 SLES 1 0.500563 -30.523 33.3716 HAL3 2562 0 0 0 9.000000e-022567 2565 H12 SLES 1 -0.906853 -31.5635 33.7164 HAL3 2562 0 0 0 9.000000e-022568 2566 NA SLES 1 16.4202 -45.039 49.2451 NA 0 0 0 0 1 .000000e+002569 2567 S SLES 1 14.2309 -45.9138 47.3435 SL 2568 2569 2570 2571 1.33 0000e+002570 2568 OS1 SLES 1 14.5161 -44.5167 46.9745 OSL 2567 2572 0 0 - 2.800000e-012571 2569 OS2 SLES 1 13.9388 -45.5244 48.705 O2L 2567 0 0 0 - 6.500000e-012572 2570 OS3 SLES 1 15.6034 -46.2907 47.0953 O2L 2567 0 0 0 - 6.500000e-012573 2571 OS4 SLES 1 13.1809 -46.3671 46.4752 O2L 2567 0 0 0 - 6.500000e-012574 2572 C2 SLES 1 13.9443 -43.7753 45.9722 CC32A 2568 2573 2574 2575 - 1.100000e-012575 2573 H2A SLES 1 12.8376 -43.6799 46.1302 HCA2 2572 0 0 0 9.000000e-022576 2574 H2B SLES 1 14.1456 -44.2353 44.9685 HCA2 2572 0 0 0 9.000000e-022577 2575 C1 SLES 1 14.658 -42.4153 46.1293 CC32A 2572 2576 2577 2578 - 1.000000e-022578 2576 H1B SLES 1 14.4757 -41.9823 47.1469 HCA2 2575 0 0 0 9.000000e-022579 2577 H1A SLES 1 15.7601 -42.5247 45.979 HCA2 2575 0 0 0 9.000000e-022580 2578 O1 SLES 1 14.3215 -41.3799 45.264 OC30A 2575 2579 0 0 - 3.400000e-012581 2579 C2 SLES 1 13.321 -41.6241 44.2924 CC32A 2578 2580 2581 2582 - 1.000000e-022582 2580 H2A SLES 1 12.3508 -41.9111 44.7902 HCA2 2579 0 0 0 9.000000e-022583 2581 H2B SLES 1 13.6197 -42.4473 43.6019 HCA2 2579 0 0 0 9.000000e-022584 2582 C1 SLES 1 13.4225 -40.0987 43.9268 CC32A 2579 2583 2584 2585 - 1.000000e-022585 2583 H1B SLES 1 12.3688 -39.9563 44.201 HCA2 2582 0 0 0 9.000000e-022586 2584 H1A SLES 1 13.802 -40.5546 42.9417 HCA2 2582 0 0 0 9.000000e-022587 2585 O1 SLES 1 13.5211 -38.9304 43.154 OC30A 2582 2586 0 0 - 3.400000e-012588 2586 C1 SLES 1 12.5356 -38.7011 42.1569 CTL2 2585 2587 2588 2589 - 1.800000e-012589 2587 H11 SLES 1 11.4659 -38.8456 42.4767 HAL2 2586 0 0 0 9.000000e-022590 2588 H12 SLES 1 12.7079 -39.3709 41.277 HAL2 2586 0 0 0 9.000000e-022591 2589 C2 SLES 1 12.8414 -37.2372 41.8434 CTL2 2586 2590 2591 2592 - 1.800000e-012592 2590 H21 SLES 1 12.6194 -36.5447 42.6907 HAL2 2589 0 0 0 9.000000e-022593 2591 H22 SLES 1 13.8936 -37.0718 41.5058 HAL2 2589 0 0 0 9.000000e-022594 2592 C3 SLES 1 11.9281 -36.9419 40.7232 CTL2 2589 2593 2594 2595 - 1.800000e-012595 2593 H31 SLES 1 10.8987 -37.1312 41.1331 HAL2 2592 0 0 0 9.000000e-022596 2594 H32 SLES 1 12.2082 -37.6777 39.9195 HAL2 2592 0 0 0 9.000000e-022597 2595 C4 SLES 1 11.8996 -35.5933 40.0802 CTL2 2592 2596 2597 2598 - 1.800000e-012598 2596 H41 SLES 1 11.6237 -34.7975 40.8154 HAL2 2595 0 0 0 9.000000e-022599 2597 H42 SLES 1 12.8913 -35.3299 39.643 HAL2 2595 0 0 0 9.000000e-022600 2598 C5 SLES 1 10.813 -35.8771 39.0344 CTL2 2595 2599 2600 2601 - 1.800000e-012601 2599 H51 SLES 1 9.86342 -36.2078 39.5334 HAL2 2598 0 0 0 9.000000e-022602 2600 H52 SLES 1 11.1162 -36.7324 38.3749 HAL2 2598 0 0 0 9.000000e-022603 2601 C6 SLES 1 10.445 -34.7755 38.1375 CTL2 2598 2602 2603 2604 - 1.800000e-012604 2602 H61 SLES 1 9.33646 -34.6328 38.2539 HAL2 2601 0 0 0 9.000000e-022605 2603 H62 SLES 1 10.5928 -35.1587 37.0922 HAL2 2601 0 0 0 9.000000e-022606 2604 C7 SLES 1 11.1836 -33.4459 38.3331 CTL2 2601 2605 2606 2607 - 1.800000e-012607 2605 H71 SLES 1 11.0102 -32.9732 39.3287 HAL2 2604 0 0 0 9.000000e-022608 2606 H72 SLES 1 12.282 -33.5057 38.1524 HAL2 2604 0 0 0 9.000000e-022609 2607 C8 SLES 1 10.5246 -32.6529 37.2633 CTL2 2604 2608 2609 2610 - 1.800000e-012610 2608 H81 SLES 1 9.42354 -32.6554 37.4994 HAL2 2607 0 0 0 9.000000e-022611 2609 H82 SLES 1 10.7224 -33.2003 36.2981 HAL2 2607 0 0 0 9.000000e-022612 2610 C9 SLES 1 10.907 -31.2325 37.0329 CTL2 2607 2611 2612 2613 - 1.800000e-012613 2611 H91 SLES 1 10.7123 -30.6286 37.9472 HAL2 2610 0 0 0 9.000000e-022614 2612 H92 SLES 1 11.986 -31.163 36.7684 HAL2 2610 0 0 0 9.000000e-022615 2613 C10 SLES 1 9.97799 -30.8853 35.8714 CTL2 2610 2614 2615 2616 - 1.800000e-012616 2614 H10 SLES 1 8.90869 -31.0462 36.1763 HAL2 2613 0 0 0 9.000000e-022617 2615 H10 SLES 1 10.1733 -31.5762 35.0065 HAL2 2613 0 0 0 9.000000e-022618 2616 C11 SLES 1 10.0954 -29.485 35.3635 CTL2 2613 2617 2618 2619 - 1.800000e-012619 2617 H11 SLES 1 9.87966 -28.8027 36.2185 HAL2 2616 0 0 0 9.000000e-022620 2618 H11 SLES 1 11.1522 -29.3358 35.042 HAL2 2616 0 0 0 9.000000e-022621 2619 C12 SLES 1 9.11124 -29.2815 34.2081 CTL3 2616 2620 2621 2622 - 2.700000e-012622 2620 H12 SLES 1 8.38073 -28.4905 34.4667 HAL3 2619 0 0 0 9.000000e-022623 2621 H12 SLES 1 9.66162 -29.0274 33.2813 HAL3 2619 0 0 0 9.000000e-022624 2622 H12 SLES 1 8.51924 -30.203 33.9851 HAL3 2619 0 0 0 9.000000e-022625 2623 NA SLES 1 29.9697 -37.8825 48.7829 NA 0 0 0 0 1 .000000e+002626 2624 S SLES 1 27.5621 -39.2179 47.5203 SL 2625 2626 2627 2628 1.33 0000e+002627 2625 OS1 SLES 1 27.5752 -37.8554 46.9611 OSL 2624 2629 0 0 - 2.800000e-012628 2626 OS2 SLES 1 27.5167 -38.695 48.8676 O2L 2624 0 0 0 - 6.500000e-012629 2627 OS3 SLES 1 28.8881 -39.4735 47.0068 O2L 2624 0 0 0 - 6.500000e-012630 2628 OS4 SLES 1 26.4211 -39.8862 46.9605 O2L 2624 0 0 0 - 6.500000e-012631 2629 C2 SLES 1 26.7108 -37.3108 46.046 CC32A 2625 2630 2631 2632 - 1.100000e-012632 2630 H2A SLES 1 25.6602 -37.3156 46.4397 HCA2 2629 0 0 0 9.000000e-022633 2631 H2B SLES 1 26.7535 -37.8683 45.0729 HCA2 2629 0 0 0 9.000000e-022634 2632 C1 SLES 1 27.2554 -35.8732 45.9034 CC32A 2629 2633 2634 2635 - 1.000000e-022635 2633 H1B SLES 1 27.2376 -35.3384 46.8883 HCA2 2632 0 0 0 9.000000e-022636 2634 H1A SLES 1 28.305 -35.8815 45.5195 HCA2 2632 0 0 0 9.000000e-022637 2635 O1 SLES 1 26.6091 -34.996 45.039 OC30A 2632 2636 0 0 - 3.400000e-012638 2636 C2 SLES 1 25.4664 -35.4657 44.3473 CC32A 2635 2637 2638 2639 - 1.000000e-022639 2637 H2A SLES 1 24.6706 -35.7907 45.0771 HCA2 2636 0 0 0 9.000000e-022640 2638 H2B SLES 1 25.7179 -36.3319 43.6915 HCA2 2636 0 0 0 9.000000e-022641 2639 C1 SLES 1 25.2854 -33.9959 43.8202 CC32A 2636 2640 2641 2642 - 1.000000e-022642 2640 H1B SLES 1 24.3046 -33.9343 44.3099 HCA2 2639 0 0 0 9.000000e-022643 2641 H1A SLES 1 25.5041 -34.5281 42.8245 HCA2 2639 0 0 0 9.000000e-022644 2642 O1 SLES 1 25.0624 -32.9296 42.9341 OC30A 2639 2643 0 0 - 3.400000e-012645 2643 C1 SLES 1 23.8663 -32.9338 42.1678 CTL2 2642 2644 2645 2646 - 1.800000e-012646 2644 H11 SLES 1 22.9176 -33.1511 42.7336 HAL2 2643 0 0 0 9.000000e-022647 2645 H12 SLES 1 23.9349 -33.6859 41.3419 HAL2 2643 0 0 0 9.000000e-022648 2646 C2 SLES 1 23.9024 -31.4962 41.6511 CTL2 2643 2647 2648 2649 - 1.800000e-012649 2647 H21 SLES 1 23.7756 -30.7311 42.4544 HAL2 2646 0 0 0 9.000000e-022650 2648 H22 SLES 1 24.8276 -31.2624 41.07 HAL2 2646 0 0 0 9.000000e-022651 2649 C3 SLES 1 22.7413 -31.443 40.7427 CTL2 2646 2650 2651 2652 - 1.800000e-012652 2650 H31 SLES 1 21.8566 -31.6889 41.391 HAL2 2649 0 0 0 9.000000e-022653 2651 H32 SLES 1 22.9391 -32.2391 39.9727 HAL2 2649 0 0 0 9.000000e-022654 2652 C4 SLES 1 22.399 -30.1962 39.9935 CTL2 2649 2653 2654 2655 - 1.800000e-012655 2653 H41 SLES 1 22.1826 -29.349 40.6901 HAL2 2652 0 0 0 9.000000e-022656 2654 H42 SLES 1 23.2315 -29.8846 39.3198 HAL2 2652 0 0 0 9.000000e-022657 2655 C5 SLES 1 21.1624 -30.7234 39.2532 CTL2 2652 2656 2657 2658 - 1.800000e-012658 2656 H51 SLES 1 20.3926 -31.0891 39.9837 HAL2 2655 0 0 0 9.000000e-022659 2657 H52 SLES 1 21.4291 -31.6169 38.6296 HAL2 2655 0 0 0 9.000000e-022660 2658 C6 SLES 1 20.4702 -29.7885 38.3588 CTL2 2655 2659 2660 2661 - 1.800000e-012661 2659 H61 SLES 1 19.4026 -29.7521 38.7079 HAL2 2658 0 0 0 9.000000e-022662 2660 H62 SLES 1 20.442 -30.2812 37.3499 HAL2 2658 0 0 0 9.000000e-022663 2661 C7 SLES 1 21.0509 -28.3733 38.251 CTL2 2658 2662 2663 2664 - 1.800000e-012664 2662 H71 SLES 1 21.0319 -27.8012 39.2085 HAL2 2661 0 0 0 9.000000e-022665 2663 H72 SLES 1 22.084 -28.3371 37.8335 HAL2 2661 0 0 0 9.000000e-022666 2664 C8 SLES 1 20.0811 -27.7955 37.285 CTL2 2661 2665 2666 2667 - 1.800000e-012667 2665 H81 SLES 1 19.0654 -27.8866 37.7628 HAL2 2664 0 0 0 9.000000e-022668 2666 H82 SLES 1 20.14 -28.4349 36.3586 HAL2 2664 0 0 0 9.000000e-022669 2667 C9 SLES 1 20.2145 -26.3823 36.8358 CTL2 2664 2668 2669 2670 - 1.800000e-012670 2668 H91 SLES 1 20.1403 -25.6933 37.7066 HAL2 2667 0 0 0 9.000000e-022671 2669 H92 SLES 1 21.194 -26.231 36.3289 HAL2 2667 0 0 0 9.000000e-022672 2670 C10 SLES 1 19.0227 -26.2847 35.8858 CTL2 2667 2671 2672 2673 - 1.800000e-012673 2671 H10 SLES 1 18.0733 -26.52 36.4386 HAL2 2670 0 0 0 9.000000e-022674 2672 H10 SLES 1 19.1196 -27.0533 35.0713 HAL2 2670 0 0 0 9.000000e-022675 2673 C11 SLES 1 18.8434 -24.9544 35.2294 CTL2 2670 2674 2675 2676 - 1.800000e-012676 2674 H11 SLES 1 18.7258 -24.1977 36.0398 HAL2 2673 0 0 0 9.000000e-022677 2675 H11 SLES 1 19.7787 -24.734 34.6646 HAL2 2673 0 0 0 9.000000e-022678 2676 C12 SLES 1 17.6184 -25.0036 34.3119 CTL3 2673 2677 2678 2679 - 2.700000e-012679 2677 H12 SLES 1 16.8614 -24.2695 34.6498 HAL3 2676 0 0 0 9.000000e-022680 2678 H12 SLES 1 17.921 -24.8098 33.2644 HAL3 2676 0 0 0 9.000000e-022681 2679 H12 SLES 1 17.1197 -26.0039 34.32 HAL3 2676 0 0 0 9.000000e-022682 2680 NA SLES 1 40.5758 -26.9263 48.2746 NA 0 0 0 0 1 .000000e+002683 2681 S SLES 1 38.1972 -28.7154 47.713 SL 2682 2683 2684 2685 1.33 0000e+002684 2682 OS1 SLES 1 37.9346 -27.4857 46.9461 OSL 2681 2686 0 0 - 2.800000e-012685 2683 OS2 SLES 1 38.3021 -27.9606 48.9417 O2L 2681 0 0 0 - 6.500000e-012686 2684 OS3 SLES 1 39.4438 -28.9216 47.0124 O2L 2681 0 0 0 - 6.500000e-012687 2685 OS4 SLES 1 37.0811 -29.5909 47.4899 O2L 2681 0 0 0 - 6.500000e-012688 2686 C2 SLES 1 36.8669 -27.2124 46.1297 CC32A 2682 2687 2688 2689 - 1.100000e-012689 2687 H2A SLES 1 35.9051 -27.2542 46.7059 HCA2 2686 0 0 0 9.000000e-022690 2688 H2B SLES 1 36.8252 -27.9323 45.2697 HCA2 2686 0 0 0 9.000000e-022691 2689 C1 SLES 1 37.1815 -25.7769 45.6564 CC32A 2686 2690 2691 2692 - 1.000000e-022692 2690 H1B SLES 1 37.2526 -25.0745 46.527 HCA2 2689 0 0 0 9.000000e-022693 2691 H1A SLES 1 38.1458 -25.7464 45.0922 HCA2 2689 0 0 0 9.000000e-022694 2692 O1 SLES 1 36.2903 -25.1466 44.7947 OC30A 2689 2693 0 0 - 3.400000e-012695 2693 C2 SLES 1 35.1241 -25.8524 44.4118 CC32A 2692 2694 2695 2696 - 1.000000e-022696 2694 H2A SLES 1 34.5095 -26.1184 45.3189 HCA2 2693 0 0 0 9.000000e-022697 2695 H2B SLES 1 35.3799 -26.7936 43.8712 HCA2 2693 0 0 0 9.000000e-022698 2696 C1 SLES 1 34.6626 -24.5321 43.6944 CC32A 2693 2697 2698 2699 - 1.000000e-022699 2697 H1B SLES 1 33.7756 -24.4838 44.3398 HCA2 2696 0 0 0 9.000000e-022700 2698 H1A SLES 1 34.7857 -25.213 42.7759 HCA2 2696 0 0 0 9.000000e-022701 2699 O1 SLES 1 34.1559 -23.6767 42.7027 OC30A 2696 2700 0 0 - 3.400000e-012702 2700 C1 SLES 1 32.8624 -23.9469 42.1813 CTL2 2699 2701 2702 2703 - 1.800000e-012703 2701 H11 SLES 1 32.057 -24.1539 42.9401 HAL2 2700 0 0 0 9.000000e-022704 2702 H12 SLES 1 32.8964 -24.8271 41.4909 HAL2 2700 0 0 0 9.000000e-022705 2703 C2 SLES 1 32.6191 -22.6335 41.4392 CTL2 2700 2704 2705 2706 - 1.800000e-012706 2704 H21 SLES 1 32.5229 -21.7509 42.1162 HAL2 2703 0 0 0 9.000000e-022707 2705 H22 SLES 1 33.3968 -22.4157 40.6672 HAL2 2703 0 0 0 9.000000e-022708 2706 C3 SLES 1 31.3289 -22.8702 40.7642 CTL2 2703 2707 2708 2709 - 1.800000e-012709 2707 H31 SLES 1 30.6034 -23.0833 41.5959 HAL2 2706 0 0 0 9.000000e-022710 2708 H32 SLES 1 31.5042 -23.7696 40.1114 HAL2 2706 0 0 0 9.000000e-022711 2709 C4 SLES 1 30.7035 -21.8256 39.8977 CTL2 2706 2710 2711 2712 - 1.800000e-012712 2710 H41 SLES 1 30.4914 -20.8918 40.4745 HAL2 2709 0 0 0 9.000000e-022713 2711 H42 SLES 1 31.3651 -21.5585 39.0404 HAL2 2709 0 0 0 9.000000e-022714 2712 C5 SLES 1 29.4455 -22.6064 39.4943 CTL2 2709 2713 2714 2715 - 1.800000e-012715 2713 H51 SLES 1 28.8618 -22.9094 40.404 HAL2 2712 0 0 0 9.000000e-022716 2714 H52 SLES 1 29.7251 -23.5669 38.9866 HAL2 2712 0 0 0 9.000000e-022717 2715 C6 SLES 1 28.4966 -21.9299 38.6026 CTL2 2712 2716 2717 2718 - 1.800000e-012718 2716 H61 SLES 1 27.5054 -21.9413 39.132 HAL2 2715 0 0 0 9.000000e-022719 2717 H62 SLES 1 28.3711 -22.6005 37.7104 HAL2 2715 0 0 0 9.000000e-022720 2718 C7 SLES 1 28.8554 -20.5062 38.16 CTL2 2715 2719 2720 2721 - 1.800000e-012721 2719 H71 SLES 1 28.9158 -19.7725 38.9982 HAL2 2718 0 0 0 9.000000e-022722 2720 H72 SLES 1 29.7919 -20.44 37.559 HAL2 2718 0 0 0 9.000000e-022723 2721 C8 SLES 1 27.6718 -20.2209 37.3084 CTL2 2718 2722 2723 2724 - 1.800000e-012724 2722 H81 SLES 1 26.7695 -20.3278 37.9736 HAL2 2721 0 0 0 9.000000e-022725 2723 H82 SLES 1 27.6646 -21.0104 36.504 HAL2 2721 0 0 0 9.000000e-022726 2724 C9 SLES 1 27.5379 -18.9087 36.6177 CTL2 2721 2725 2726 2727 - 1.800000e-012727 2725 H91 SLES 1 27.5143 -18.0825 37.3629 HAL2 2724 0 0 0 9.000000e-022728 2726 H92 SLES 1 28.392 -18.7521 35.9211 HAL2 2724 0 0 0 9.000000e-022729 2727 C10 SLES 1 26.2049 -19.1129 35.9008 CTL2 2724 2728 2729 2730 - 1.800000e-012730 2728 H10 SLES 1 25.3991 -19.3399 36.6501 HAL2 2727 0 0 0 9.000000e-022731 2729 H10 SLES 1 26.2705 -20.0041 35.2191 HAL2 2727 0 0 0 9.000000e-022732 2730 C11 SLES 1 25.7427 -17.9526 35.0807 CTL2 2727 2731 2732 2733 - 1.800000e-012733 2731 H11 SLES 1 25.6578 -17.0759 35.7642 HAL2 2730 0 0 0 9.000000e-022734 2732 H11 SLES 1 26.5348 -17.7438 34.3247 HAL2 2730 0 0 0 9.000000e-022735 2733 C12 SLES 1 24.4025 -18.2977 34.4254 CTL3 2730 2734 2735 2736 - 2.700000e-012736 2734 H12 SLES 1 23.6186 -17.5969 34.7727 HAL3 2733 0 0 0 9.000000e-022737 2735 H12 SLES 1 24.501 -18.2699 33.3226 HAL3 2733 0 0 0 9.000000e-022738 2736 H12 SLES 1 24.0516 -19.3258 34.6885 HAL3 2733 0 0 0 9.000000e-022739 2737 NA SLES 1 47.2432 -13.2993 47.7699 NA 0 0 0 0 1 .000000e+002740 2738 S SLES 1 45.0785 -15.4136 47.9025 SL 2739 2740 2741 2742 1.33 0000e+002741 2739 OS1 SLES 1 44.5816 -14.4243 46.9311 OSL 2738 2743 0 0 - 2.800000e-012742 2740 OS2 SLES 1 45.2029 -14.394 48.9201 O2L 2738 0 0 0 - 6.500000e-012743 2741 OS3 SLES 1 46.2665 -15.6377 47.1115 O2L 2738 0 0 0 - 6.500000e-012744 2742 OS4 SLES 1 44.0714 -16.4314 48.0116 O2L 2738 0 0 0 - 6.500000e-012745 2743 C2 SLES 1 43.4121 -14.4586 46.2153 CC32A 2739 2744 2745 2746 - 1.100000e-012746 2744 H2A SLES 1 42.5255 -14.4721 46.9028 HCA2 2743 0 0 0 9.000000e-022747 2745 H2B SLES 1 43.3816 -15.3543 45.5399 HCA2 2743 0 0 0 9.000000e-022748 2746 C1 SLES 1 43.4861 -13.1419 45.4127 CC32A 2743 2747 2748 2749 - 1.000000e-022749 2747 H1B SLES 1 43.5489 -12.2575 46.0984 HCA2 2746 0 0 0 9.000000e-022750 2748 H1A SLES 1 44.3778 -13.1363 44.7388 HCA2 2746 0 0 0 9.000000e-022751 2749 O1 SLES 1 42.4391 -12.8218 44.5551 OC30A 2746 2750 0 0 - 3.400000e-012752 2750 C2 SLES 1 41.3445 -13.7168 44.4795 CC32A 2749 2751 2752 2753 - 1.000000e-022753 2751 H2A SLES 1 40.8626 -13.8354 45.492 HCA2 2750 0 0 0 9.000000e-022754 2752 H2B SLES 1 41.6682 -14.7228 44.1234 HCA2 2750 0 0 0 9.000000e-022755 2753 C1 SLES 1 40.6443 -12.65 43.5617 CC32A 2750 2754 2755 2756 - 1.000000e-022756 2754 H1B SLES 1 39.8265 -12.5526 44.2878 HCA2 2753 0 0 0 9.000000e-022757 2755 H1A SLES 1 40.7655 -13.5035 42.8006 HCA2 2753 0 0 0 9.000000e-022758 2756 O1 SLES 1 39.934 -12.1001 42.4823 OC30A 2753 2757 0 0 - 3.400000e-012759 2757 C1 SLES 1 38.6427 -12.6182 42.196 CTL2 2756 2758 2759 2760 - 1.800000e-012760 2758 H11 SLES 1 37.9502 -12.7337 43.076 HAL2 2757 0 0 0 9.000000e-022761 2759 H12 SLES 1 38.7247 -13.6228 41.7094 HAL2 2757 0 0 0 9.000000e-022762 2760 C2 SLES 1 38.1561 -11.5403 41.2284 CTL2 2757 2761 2762 2763 - 1.800000e-012763 2761 H21 SLES 1 38.0111 -10.5431 41.7093 HAL2 2760 0 0 0 9.000000e-022764 2762 H22 SLES 1 38.8186 -11.4203 40.3367 HAL2 2760 0 0 0 9.000000e-022765 2763 C3 SLES 1 36.8485 -12.0603 40.7857 CTL2 2760 2764 2765 2766 - 1.800000e-012766 2764 H31 SLES 1 36.2428 -12.1566 41.7276 HAL2 2763 0 0 0 9.000000e-022767 2765 H32 SLES 1 37.0762 -13.0598 40.322 HAL2 2763 0 0 0 9.000000e-022768 2766 C4 SLES 1 36.0085 -11.3117 39.8023 CTL2 2763 2767 2768 2769 - 1.800000e-012769 2767 H41 SLES 1 35.7324 -10.3 40.1897 HAL2 2766 0 0 0 9.000000e-022770 2768 H42 SLES 1 36.5415 -11.1758 38.8321 HAL2 2766 0 0 0 9.000000e-022771 2769 C5 SLES 1 34.8313 -12.2938 39.7343 CTL2 2766 2770 2771 2772 - 1.800000e-012772 2770 H51 SLES 1 34.385 -12.4443 40.7533 HAL2 2769 0 0 0 9.000000e-022773 2771 H52 SLES 1 35.1841 -13.3084 39.4111 HAL2 2769 0 0 0 9.000000e-022774 2772 C6 SLES 1 33.7183 -11.942 38.8451 CTL2 2769 2773 2774 2775 - 1.800000e-012775 2773 H61 SLES 1 32.7941 -11.9398 39.4844 HAL2 2772 0 0 0 9.000000e-022776 2774 H62 SLES 1 33.5954 -12.8062 38.1384 HAL2 2772 0 0 0 9.000000e-022777 2775 C7 SLES 1 33.8404 -10.625 38.0691 CTL2 2772 2776 2777 2778 - 1.800000e-012778 2776 H71 SLES 1 33.8854 -9.71873 38.7182 HAL2 2775 0 0 0 9.000000e-022779 2777 H72 SLES 1 34.6964 -10.5961 37.3555 HAL2 2775 0 0 0 9.000000e-022780 2778 C8 SLES 1 32.5516 -10.668 37.3311 CTL2 2775 2779 2780 2781 - 1.800000e-012781 2779 H81 SLES 1 31.7411 -10.7181 38.1113 HAL2 2778 0 0 0 9.000000e-022782 2780 H82 SLES 1 32.5699 -11.6149 36.72 HAL2 2778 0 0 0 9.000000e-022783 2781 C9 SLES 1 32.1783 -9.56789 36.3999 CTL2 2778 2782 2783 2784 - 1.800000e-012784 2782 H91 SLES 1 32.119 -8.60209 36.9498 HAL2 2781 0 0 0 9.000000e-022785 2783 H92 SLES 1 32.9315 -9.482 35.5848 HAL2 2781 0 0 0 9.000000e-022786 2784 C10 SLES 1 30.82 -10.0705 35.9151 CTL2 2781 2785 2786 2787 - 1.800000e-012787 2785 H10 SLES 1 30.1289 -10.2075 36.7902 HAL2 2784 0 0 0 9.000000e-022788 2786 H10 SLES 1 30.9356 -11.0804 35.4353 HAL2 2784 0 0 0 9.000000e-022789 2787 C11 SLES 1 30.1302 -9.18184 34.9317 CTL2 2784 2788 2789 2790 - 1.800000e-012790 2788 H11 SLES 1 29.9977 -8.18772 35.4187 HAL2 2787 0 0 0 9.000000e-022791 2789 H11 SLES 1 30.8096 -9.06548 34.0557 HAL2 2787 0 0 0 9.000000e-022792 2790 C12 SLES 1 28.7895 -9.8078 34.5373 CTL3 2787 2791 2792 2793 - 2.700000e-012793 2791 H12 SLES 1 27.9578 -9.13495 34.8232 HAL3 2790 0 0 0 9.000000e-022794 2792 H12 SLES 1 28.7747 -10.0194 33.4504 HAL3 2790 0 0 0 9.000000e-022795 2793 H12 SLES 1 28.6052 -10.7815 35.0544 HAL3 2790 0 0 0 9.000000e-022796 2794 NA SLES 1 57.1043 1.64418 33.2983 NA 0 0 0 0 1 .000000e+002797 2795 S SLES 1 55.4822 -0.607557 34.5118 SL 2796 2797 2798 2799 1.33 0000e+002798 2796 OS1 SLES 1 54.5665 0.0495181 33.5636 OSL 2795 2800 0 0 - 2.800000e-012799 2797 OS2 SLES 1 55.6921 0.637759 35.2159 O2L 2795 0 0 0 - 6.500000e-012800 2798 OS3 SLES 1 56.4285 -0.880562 33.4548 O2L 2795 0 0 0 - 6.500000e-012801 2799 OS4 SLES 1 54.7467 -1.67631 35.1272 O2L 2795 0 0 0 - 6.500000e-012802 2800 C2 SLES 1 53.2725 -0.293442 33.2651 CC32A 2796 2801 2802 2803 - 1.100000e-012803 2801 H2A SLES 1 52.6258 -0.239842 34.1805 HCA2 2800 0 0 0 9.000000e-022804 2802 H2B SLES 1 53.2223 -1.32482 32.8255 HCA2 2800 0 0 0 9.000000e-022805 2803 C1 SLES 1 52.8824 0.785828 32.2324 CC32A 2800 2804 2805 2806 - 1.000000e-022806 2804 H1B SLES 1 52.968 1.81251 32.6739 HCA2 2803 0 0 0 9.000000e-022807 2805 H1A SLES 1 53.539 0.728524 31.3297 HCA2 2803 0 0 0 9.000000e-022808 2806 O1 SLES 1 51.6006 0.763312 31.6935 OC30A 2803 2807 0 0 - 3.400000e-012809 2807 C2 SLES 1 50.7096 -0.242648 32.1396 CC32A 2806 2808 2809 2810 - 1.000000e-022810 2808 H2A SLES 1 50.5531 -0.164001 33.2535 HCA2 2807 0 0 0 9.000000e-022811 2809 H2B SLES 1 51.1013 -1.26114 31.9098 HCA2 2807 0 0 0 9.000000e-022812 2810 C1 SLES 1 49.6024 0.478817 31.2883 CC32A 2807 2811 2812 2813 - 1.000000e-022813 2811 H1B SLES 1 49.0111 0.65649 32.1963 HCA2 2810 0 0 0 9.000000e-022814 2812 H1A SLES 1 49.6643 -0.515444 30.7139 HCA2 2810 0 0 0 9.000000e-022815 2813 O1 SLES 1 48.5359 0.661847 30.3933 OC30A 2810 2814 0 0 - 3.400000e-012816 2814 C1 SLES 1 47.3327 -0.0556061 30.6287 CTL2 2813 2815 2816 2817 - 1.800000e-012817 2815 H11 SLES 1 46.9406 -0.0306716 31.6836 HAL2 2814 0 0 0 9.000000e-022818 2816 H12 SLES 1 47.4603 -1.13244 30.3518 HAL2 2814 0 0 0 9.000000e-022819 2817 C2 SLES 1 46.4116 0.688909 29.6631 CTL2 2814 2818 2819 2820 - 1.800000e-012820 2818 H21 SLES 1 46.2243 1.75006 29.9555 HAL2 2817 0 0 0 9.000000e-022821 2819 H22 SLES 1 46.7713 0.661981 28.6056 HAL2 2817 0 0 0 9.000000e-022822 2820 C3 SLES 1 45.1505 -0.0705721 29.7584 CTL2 2817 2821 2822 2823 - 1.800000e-012823 2821 H31 SLES 1 44.8539 -0.00200562 30.8404 HAL2 2820 0 0 0 9.000000e-022824 2822 H32 SLES 1 45.421 -1.1202 29.4569 HAL2 2820 0 0 0 9.000000e-022825 2823 C4 SLES 1 43.9515 0.312422 28.9529 CTL2 2820 2824 2825 2826 - 1.800000e-012826 2824 H41 SLES 1 43.6122 1.34952 29.1959 HAL2 2823 0 0 0 9.000000e-022827 2825 H42 SLES 1 44.1645 0.266707 27.8591 HAL2 2823 0 0 0 9.000000e-022828 2826 C5 SLES 1 43.0004 -0.785032 29.449 CTL2 2823 2827 2828 2829 - 1.800000e-012829 2827 H51 SLES 1 42.8853 -0.731426 30.5643 HAL2 2826 0 0 0 9.000000e-022830 2828 H52 SLES 1 43.4303 -1.8004 29.2426 HAL2 2826 0 0 0 9.000000e-022831 2829 C6 SLES 1 41.6418 -0.792326 28.8945 CTL2 2826 2830 2831 2832 - 1.800000e-012832 2830 H61 SLES 1 40.9436 -0.739757 29.7736 HAL2 2829 0 0 0 9.000000e-022833 2831 H62 SLES 1 41.4901 -1.81162 28.448 HAL2 2829 0 0 0 9.000000e-022834 2832 C7 SLES 1 41.3044 0.29928 27.8717 CTL2 2829 2833 2834 2835 - 1.800000e-012835 2833 H71 SLES 1 41.3591 1.33595 28.2803 HAL2 2832 0 0 0 9.000000e-022836 2834 H72 SLES 1 41.9122 0.250531 26.9385 HAL2 2832 0 0 0 9.000000e-022837 2835 C8 SLES 1 39.8932 -0.0712677 27.5912 CTL2 2832 2836 2837 2838 - 1.800000e-012838 2836 H81 SLES 1 39.3505 -0.0213796 28.5766 HAL2 2835 0 0 0 9.000000e-022839 2837 H82 SLES 1 39.916 -1.13052 27.2066 HAL2 2835 0 0 0 9.000000e-022840 2838 C9 SLES 1 39.085 0.716524 26.6201 CTL2 2835 2839 2840 2841 - 1.800000e-012841 2839 H91 SLES 1 39.0033 1.77424 26.9566 HAL2 2838 0 0 0 9.000000e-022842 2840 H92 SLES 1 39.5576 0.685989 25.6127 HAL2 2838 0 0 0 9.000000e-022843 2841 C10 SLES 1 37.7614 -0.0423176 26.6884 CTL2 2838 2842 2843 2844 - 1.800000e-012844 2842 H10 SLES 1 37.3732 -0.0391775 27.7427 HAL2 2841 0 0 0 9.000000e-022845 2843 H10 SLES 1 37.9235 -1.11881 26.4085 HAL2 2841 0 0 0 9.000000e-022846 2844 C11 SLES 1 36.6787 0.492708 25.8085 CTL2 2841 2845 2846 2847 - 1.800000e-012847 2845 H11 SLES 1 36.5054 1.55386 26.1035 HAL2 2844 0 0 0 9.000000e-022848 2846 H11 SLES 1 37.0593 0.468091 24.7612 HAL2 2844 0 0 0 9.000000e-022849 2847 C12 SLES 1 35.4189 -0.360704 25.9802 CTL3 2844 2848 2849 2850 - 2.700000e-012850 2848 H12 SLES 1 34.5889 0.261463 26.3678 HAL3 2847 0 0 0 9.000000e-022851 2849 H12 SLES 1 35.1461 -0.832578 25.0162 HAL3 2847 0 0 0 9.000000e-022852 2850 H12 SLES 1 35.5641 -1.19245 26.7127 HAL3 2847 0 0 0 9.000000e-022853 2851 NA SLES 1 54.9729 16.0387 32.9446 NA 0 0 0 0 1 .000000e+002854 2852 S SLES 1 53.6588 13.9016 34.6417 SL 2853 2854 2855 2856 1.33 0000e+002855 2853 OS1 SLES 1 52.7015 14.1613 33.5529 OSL 2852 2857 0 0 - 2.800000e-012856 2854 OS2 SLES 1 53.6383 15.2942 35.0301 O2L 2852 0 0 0 - 6.500000e-012857 2855 OS3 SLES 1 54.6878 13.5456 33.6921 O2L 2852 0 0 0 - 6.500000e-012858 2856 OS4 SLES 1 53.0671 12.902 35.4859 O2L 2852 0 0 0 - 6.500000e-012859 2857 C2 SLES 1 51.4926 13.5532 33.3295 CC32A 2853 2858 2859 2860 - 1.100000e-012860 2858 H2A SLES 1 50.8002 13.7142 34.1977 HCA2 2857 0 0 0 9.000000e-022861 2859 H2B SLES 1 51.6243 12.4534 33.1487 HCA2 2857 0 0 0 9.000000e-022862 2860 C1 SLES 1 50.993 14.283 32.064 CC32A 2857 2861 2862 2863 - 1.000000e-022863 2861 H1B SLES 1 50.8968 15.3844 32.2482 HCA2 2860 0 0 0 9.000000e-022864 2862 H1A SLES 1 51.6951 14.123 31.2092 HCA2 2860 0 0 0 9.000000e-022865 2863 O1 SLES 1 49.7587 13.9277 31.5307 OC30A 2860 2864 0 0 - 3.400000e-012866 2864 C2 SLES 1 49.0123 12.9236 32.1936 CC32A 2863 2865 2866 2867 - 1.000000e-022867 2865 H2A SLES 1 48.7899 13.2344 33.2545 HCA2 2864 0 0 0 9.000000e-022868 2866 H2B SLES 1 49.5676 11.9568 32.2188 HCA2 2864 0 0 0 9.000000e-022869 2867 C1 SLES 1 47.8513 13.2367 31.1813 CC32A 2864 2868 2869 2870 - 1.000000e-022870 2868 H1B SLES 1 47.1948 13.5239 32.0132 HCA2 2867 0 0 0 9.000000e-022871 2869 H1A SLES 1 48.0947 12.1591 30.8621 HCA2 2867 0 0 0 9.000000e-022872 2870 O1 SLES 1 46.8157 13.0301 30.2557 OC30A 2867 2871 0 0 - 3.400000e-012873 2871 C1 SLES 1 45.7273 12.2026 30.6413 CTL2 2870 2872 2873 2874 - 1.800000e-012874 2872 H11 SLES 1 45.2835 12.41 31.6549 HAL2 2871 0 0 0 9.000000e-022875 2873 H12 SLES 1 46.0333 11.1262 30.6316 HAL2 2871 0 0 0 9.000000e-022876 2874 C2 SLES 1 44.7521 12.5413 29.5147 CTL2 2871 2875 2876 2877 - 1.800000e-012877 2875 H21 SLES 1 44.3888 13.5967 29.5426 HAL2 2874 0 0 0 9.000000e-022878 2876 H22 SLES 1 45.1643 12.3261 28.4988 HAL2 2874 0 0 0 9.000000e-022879 2877 C3 SLES 1 43.6201 11.6314 29.7736 CTL2 2874 2878 2879 2880 - 1.800000e-012880 2878 H31 SLES 1 43.2625 11.9024 30.8042 HAL2 2877 0 0 0 9.000000e-022881 2879 H32 SLES 1 44.0642 10.5984 29.7351 HAL2 2877 0 0 0 9.000000e-022882 2880 C4 SLES 1 42.4184 11.6159 28.8856 CTL2 2877 2881 2882 2883 - 1.800000e-012883 2881 H41 SLES 1 41.9113 12.6121 28.8694 HAL2 2880 0 0 0 9.000000e-022884 2882 H42 SLES 1 42.6906 11.3505 27.8371 HAL2 2880 0 0 0 9.000000e-022885 2883 C5 SLES 1 41.6243 10.526 29.6182 CTL2 2880 2884 2885 2886 - 1.800000e-012886 2884 H51 SLES 1 41.4464 10.8199 30.6868 HAL2 2883 0 0 0 9.000000e-022887 2885 H52 SLES 1 42.2156 9.57392 29.6657 HAL2 2883 0 0 0 9.000000e-022888 2886 C6 SLES 1 40.3127 10.1693 29.0652 CTL2 2883 2887 2888 2889 - 1.800000e-012889 2887 H61 SLES 1 39.5715 10.3125 29.8977 HAL2 2886 0 0 0 9.000000e-022890 2888 H62 SLES 1 40.3428 9.06312 28.8736 HAL2 2886 0 0 0 9.000000e-022891 2889 C7 SLES 1 39.8628 10.9218 27.8071 CTL2 2886 2890 2891 2892 - 1.800000e-012892 2890 H71 SLES 1 39.7362 12.0201 27.9565 HAL2 2889 0 0 0 9.000000e-022893 2891 H72 SLES 1 40.5169 10.7549 26.9199 HAL2 2889 0 0 0 9.000000e-022894 2892 C8 SLES 1 38.5415 10.2725 27.6063 CTL2 2889 2893 2894 2895 - 1.800000e-012895 2893 H81 SLES 1 37.9488 10.4631 28.5446 HAL2 2892 0 0 0 9.000000e-022896 2894 H82 SLES 1 38.7468 9.17068 27.4864 HAL2 2892 0 0 0 9.000000e-022897 2895 C9 SLES 1 37.6713 10.6695 26.4653 CTL2 2892 2896 2897 2898 - 1.800000e-012898 2896 H91 SLES 1 37.4105 11.7491 26.5382 HAL2 2895 0 0 0 9.000000e-022899 2897 H92 SLES 1 38.1929 10.4809 25.5002 HAL2 2895 0 0 0 9.000000e-022900 2898 C10 SLES 1 36.4788 9.74382 26.6971 CTL2 2895 2899 2900 2901 - 1.800000e-012901 2899 H10 SLES 1 36.0424 9.93081 27.7153 HAL2 2898 0 0 0 9.000000e-022902 2900 H10 SLES 1 36.819 8.67257 26.6848 HAL2 2898 0 0 0 9.000000e-022903 2901 C11 SLES 1 35.3722 9.87552 25.7019 CTL2 2898 2902 2903 2904 - 1.800000e-012904 2902 H11 SLES 1 35.0226 10.9338 25.7325 HAL2 2901 0 0 0 9.000000e-022905 2903 H11 SLES 1 35.8042 9.66835 24.6955 HAL2 2901 0 0 0 9.000000e-022906 2904 C12 SLES 1 34.2521 8.89368 26.0575 CTL3 2901 2905 2906 2907 - 2.700000e-012907 2905 H12 SLES 1 33.3177 9.44651 26.275 HAL3 2904 0 0 0 9.000000e-022908 2906 H12 SLES 1 34.1042 8.17149 25.231 HAL3 2904 0 0 0 9.000000e-022909 2907 H12 SLES 1 34.4869 8.29128 26.9693 HAL3 2904 0 0 0 9.000000e-022910 2908 NA SLES 1 49.2717 29.3684 32.6938 NA 0 0 0 0 1 .000000e+002911 2909 S SLES 1 48.1106 27.452 34.7318 SL 2910 2911 2912 2913 1.33 0000e+002912 2910 OS1 SLES 1 47.2501 27.3088 33.5451 OSL 2909 2914 0 0 - 2.800000e-012913 2911 OS2 SLES 1 47.8423 28.8716 34.7901 O2L 2909 0 0 0 - 6.500000e-012914 2912 OS3 SLES 1 49.2784 27.0803 33.9666 O2L 2909 0 0 0 - 6.500000e-012915 2913 OS4 SLES 1 47.5846 26.5703 35.7357 O2L 2909 0 0 0 - 6.500000e-012916 2914 C2 SLES 1 46.176 26.4724 33.3779 CC32A 2910 2915 2916 2917 - 1.100000e-012917 2915 H2A SLES 1 45.3769 26.6958 34.1333 HCA2 2914 0 0 0 9.000000e-022918 2916 H2B SLES 1 46.4878 25.3976 33.4626 HCA2 2914 0 0 0 9.000000e-022919 2917 C1 SLES 1 45.7152 26.8209 31.9462 CC32A 2914 2918 2919 2920 - 1.000000e-022920 2918 H1B SLES 1 45.4377 27.904 31.8671 HCA2 2917 0 0 0 9.000000e-022921 2919 H1A SLES 1 46.5222 26.603 31.2044 HCA2 2917 0 0 0 9.000000e-022922 2920 O1 SLES 1 44.6126 26.1576 31.4187 OC30A 2917 2921 0 0 - 3.400000e-012923 2921 C2 SLES 1 43.955 25.2068 32.2362 CC32A 2920 2922 2923 2924 - 1.000000e-022924 2922 H2A SLES 1 43.5746 25.6945 33.179 HCA2 2921 0 0 0 9.000000e-022925 2923 H2B SLES 1 44.641 24.3752 32.5218 HCA2 2921 0 0 0 9.000000e-022926 2924 C1 SLES 1 42.8779 25.0969 31.0966 CC32A 2921 2925 2926 2927 - 1.000000e-022927 2925 H1B SLES 1 42.0993 25.44 31.7906 HCA2 2924 0 0 0 9.000000e-022928 2926 H1A SLES 1 43.3113 24.0328 31.0501 HCA2 2924 0 0 0 9.000000e-022929 2927 O1 SLES 1 41.9914 24.5264 30.1689 OC30A 2924 2928 0 0 - 3.400000e-012930 2928 C1 SLES 1 41.0018 23.629 30.6518 CTL2 2927 2929 2930 2931 - 1.800000e-012931 2929 H11 SLES 1 40.4243 23.9699 31.556 HAL2 2928 0 0 0 9.000000e-022932 2930 H12 SLES 1 41.4628 22.6424 30.9101 HAL2 2928 0 0 0 9.000000e-022933 2931 C2 SLES 1 40.1161 23.5506 29.409 CTL2 2928 2932 2933 2934 - 1.800000e-012934 2932 H21 SLES 1 39.5999 24.5111 29.169 HAL2 2931 0 0 0 9.000000e-022935 2933 H22 SLES 1 40.664 23.1964 28.502 HAL2 2931 0 0 0 9.000000e-022936 2934 C3 SLES 1 39.1097 22.5395 29.7845 CTL2 2931 2935 2936 2937 - 1.800000e-012937 2935 H31 SLES 1 38.6056 22.9597 30.6971 HAL2 2934 0 0 0 9.000000e-022938 2936 H32 SLES 1 39.703 21.6119 30.0152 HAL2 2934 0 0 0 9.000000e-022939 2937 C4 SLES 1 38.0276 22.133 28.8375 CTL2 2934 2938 2939 2940 - 1.800000e-012940 2938 H41 SLES 1 37.3836 23.0029 28.5575 HAL2 2937 0 0 0 9.000000e-022941 2939 H42 SLES 1 38.4488 21.7 27.8999 HAL2 2937 0 0 0 9.000000e-022942 2940 C5 SLES 1 37.3282 21.1065 29.7387 CTL2 2937 2941 2942 2943 - 1.800000e-012943 2941 H51 SLES 1 36.9932 21.5871 30.6963 HAL2 2940 0 0 0 9.000000e-022944 2942 H52 SLES 1 38.045 20.2999 30.0453 HAL2 2940 0 0 0 9.000000e-022945 2943 C6 SLES 1 36.152 20.4246 29.1867 CTL2 2940 2944 2945 2946 - 1.800000e-012946 2944 H61 SLES 1 35.3114 20.615 29.9078 HAL2 2943 0 0 0 9.000000e-022947 2945 H62 SLES 1 36.3659 19.3242 29.2549 HAL2 2943 0 0 0 9.000000e-022948 2946 C7 SLES 1 35.7357 20.8048 27.7606 CTL2 2943 2947 2948 2949 - 1.800000e-012949 2947 H71 SLES 1 35.4327 21.8724 27.6462 HAL2 2946 0 0 0 9.000000e-022950 2948 H72 SLES 1 36.5002 20.5654 26.9854 HAL2 2946 0 0 0 9.000000e-022951 2949 C8 SLES 1 34.5549 19.9147 27.6165 CTL2 2946 2950 2951 2952 - 1.800000e-012952 2950 H81 SLES 1 33.8416 20.1983 28.4404 HAL2 2949 0 0 0 9.000000e-022953 2951 H82 SLES 1 34.9326 18.8633 27.7663 HAL2 2949 0 0 0 9.000000e-022954 2952 C9 SLES 1 33.7653 19.9072 26.3542 CTL2 2949 2953 2954 2955 - 1.800000e-012955 2953 H91 SLES 1 33.3414 20.9177 26.1598 HAL2 2952 0 0 0 9.000000e-022956 2954 H92 SLES 1 34.4112 19.6078 25.4985 HAL2 2952 0 0 0 9.000000e-022957 2955 C10 SLES 1 32.7047 18.8648 26.7025 CTL2 2952 2956 2957 2958 - 1.800000e-012958 2956 H10 SLES 1 32.1369 19.1883 27.6164 HAL2 2955 0 0 0 9.000000e-022959 2957 H10 SLES 1 33.1988 17.8885 26.9596 HAL2 2955 0 0 0 9.000000e-022960 2958 C11 SLES 1 31.706 18.5932 25.6249 CTL2 2955 2959 2960 2961 - 1.800000e-012961 2959 H11 SLES 1 31.2026 19.5593 25.3877 HAL2 2958 0 0 0 9.000000e-022962 2960 H11 SLES 1 32.2711 18.2521 24.7267 HAL2 2958 0 0 0 9.000000e-022963 2961 C12 SLES 1 30.7113 17.5354 26.1115 CTL3 2958 2962 2963 2964 - 2.700000e-012964 2962 H12 SLES 1 29.6874 17.9565 26.128 HAL3 2961 0 0 0 9.000000e-022965 2963 H12 SLES 1 30.7629 16.6394 25.4627 HAL3 2961 0 0 0 9.000000e-022966 2964 H12 SLES 1 30.9317 17.1895 27.1513 HAL3 2961 0 0 0 9.000000e-022967 2965 NA SLES 1 40.3981 40.7904 32.563 NA 0 0 0 0 1 .000000e+002968 2966 S SLES 1 39.2132 39.0956 34.7761 SL 2967 2968 2969 2970 1.33 0000e+002969 2967 OS1 SLES 1 38.5841 38.5979 33.5409 OSL 2966 2971 0 0 - 2.800000e-012970 2968 OS2 SLES 1 38.7373 40.4353 34.5124 O2L 2966 0 0 0 - 6.500000e-012971 2969 OS3 SLES 1 40.5298 38.8006 34.2597 O2L 2966 0 0 0 - 6.500000e-012972 2970 OS4 SLES 1 38.6654 38.3291 35.8597 O2L 2966 0 0 0 - 6.500000e-012973 2971 C2 SLES 1 37.6826 37.573 33.4071 CC32A 2967 2972 2973 2974 - 1.100000e-012974 2972 H2A SLES 1 36.7488 37.786 33.9917 HCA2 2971 0 0 0 9.000000e-022975 2973 H2B SLES 1 38.1282 36.6003 33.746 HCA2 2971 0 0 0 9.000000e-022976 2974 C1 SLES 1 37.4123 37.577 31.8871 CC32A 2971 2975 2976 2977 - 1.000000e-022977 2975 H1B SLES 1 36.9981 38.5647 31.5564 HCA2 2974 0 0 0 9.000000e-022978 2976 H1A SLES 1 38.3509 37.3731 31.3155 HCA2 2974 0 0 0 9.000000e-022979 2977 O1 SLES 1 36.5159 36.6508 31.3649 OC30A 2974 2978 0 0 - 3.400000e-012980 2978 C2 SLES 1 35.8795 35.7615 32.2643 CC32A 2977 2979 2980 2981 - 1.000000e-022981 2979 H2A SLES 1 35.2864 36.3361 33.0322 HCA2 2978 0 0 0 9.000000e-022982 2980 H2B SLES 1 36.6233 35.1246 32.7979 HCA2 2978 0 0 0 9.000000e-022983 2981 C1 SLES 1 35.0266 35.2673 31.0399 CC32A 2978 2982 2983 2984 - 1.000000e-022984 2982 H1B SLES 1 34.1054 35.589 31.5436 HCA2 2981 0 0 0 9.000000e-022985 2983 H1A SLES 1 35.6105 34.3026 31.265 HCA2 2981 0 0 0 9.000000e-022986 2984 O1 SLES 1 34.3921 34.3972 30.1387 OC30A 2981 2985 0 0 - 3.400000e-012987 2985 C1 SLES 1 33.4775 33.443 30.6593 CTL2 2984 2986 2987 2988 - 1.800000e-012988 2986 H11 SLES 1 32.7194 33.8345 31.3936 HAL2 2985 0 0 0 9.000000e-022989 2987 H12 SLES 1 34.0283 32.6124 31.1684 HAL2 2985 0 0 0 9.000000e-022990 2988 C2 SLES 1 32.8235 32.9939 29.3534 CTL2 2985 2989 2990 2991 - 1.800000e-012991 2989 H21 SLES 1 32.2197 33.7931 28.86 HAL2 2988 0 0 0 9.000000e-022992 2990 H22 SLES 1 33.5551 32.584 28.6151 HAL2 2988 0 0 0 9.000000e-022993 2991 C3 SLES 1 31.9261 31.9076 29.7904 CTL2 2988 2992 2993 2994 - 1.800000e-012994 2992 H31 SLES 1 31.2268 32.3901 30.5264 HAL2 2991 0 0 0 9.000000e-022995 2993 H32 SLES 1 32.6021 31.152 30.278 HAL2 2991 0 0 0 9.000000e-022996 2994 C4 SLES 1 31.0801 31.1593 28.8119 CTL2 2991 2995 2996 2997 - 1.800000e-012997 2995 H41 SLES 1 30.371 31.8416 28.2815 HAL2 2994 0 0 0 9.000000e-022998 2996 H42 SLES 1 31.7043 30.6458 28.0435 HAL2 2994 0 0 0 9.000000e-022999 2997 C5 SLES 1 30.4003 30.2044 29.8024 CTL2 2994 2998 2999 3000 - 1.800000e-013000 2998 H51 SLES 1 29.8503 30.7824 30.592 HAL2 2997 0 0 0 9.000000e-023001 2999 H52 SLES 1 31.1672 29.6007 30.3555 HAL2 2997 0 0 0 9.000000e-023002 3000 C6 SLES 1 29.4387 29.2431 29.2507 CTL2 2997 3001 3002 3003 - 1.800000e-013003 3001 H61 SLES 1 28.4747 29.411 29.8033 HAL2 3000 0 0 0 9.000000e-023004 3002 H62 SLES 1 29.7952 28.2259 29.566 HAL2 3000 0 0 0 9.000000e-023005 3003 C7 SLES 1 29.2065 29.2867 27.7355 CTL2 3000 3004 3005 3006 - 1.800000e-013006 3004 H71 SLES 1 28.7751 30.2485 27.3704 HAL2 3003 0 0 0 9.000000e-023007 3005 H72 SLES 1 30.1119 29.0485 27.1303 HAL2 3003 0 0 0 9.000000e-023008 3006 C8 SLES 1 28.2048 28.1953 27.621 CTL2 3003 3007 3008 3009 - 1.800000e-013009 3007 H81 SLES 1 27.3351 28.4937 28.2713 HAL2 3006 0 0 0 9.000000e-023010 3008 H82 SLES 1 28.701 27.2682 28.0269 HAL2 3006 0 0 0 9.000000e-023011 3009 C9 SLES 1 27.6375 27.8279 26.2944 CTL2 3006 3010 3011 3012 - 1.800000e-013012 3010 H91 SLES 1 27.1092 28.6996 25.8473 HAL2 3009 0 0 0 9.000000e-023013 3011 H92 SLES 1 28.4488 27.4971 25.6077 HAL2 3009 0 0 0 9.000000e-023014 3012 C10 SLES 1 26.6961 26.6973 26.7042 CTL2 3009 3013 3014 3015 - 1.800000e-013015 3013 H10 SLES 1 25.9483 27.0752 27.4527 HAL2 3012 0 0 0 9.000000e-023016 3014 H10 SLES 1 27.2779 25.882 27.2144 HAL2 3012 0 0 0 9.000000e-023017 3015 C11 SLES 1 25.933 26.0707 25.5827 CTL2 3012 3016 3017 3018 - 1.800000e-013018 3016 H11 SLES 1 25.3404 26.8781 25.0928 HAL2 3015 0 0 0 9.000000e-023019 3017 H11 SLES 1 26.6782 25.678 24.8527 HAL2 3015 0 0 0 9.000000e-023020 3018 C12 SLES 1 25.0361 24.961 26.1385 CTL3 3015 3019 3020 3021 - 2.700000e-013021 3019 H12 SLES 1 23.9729 25.1957 25.9368 HAL3 3018 0 0 0 9.000000e-023022 3020 H12 SLES 1 25.3196 23.9865 25.6955 HAL3 3018 0 0 0 9.000000e-023023 3021 H12 SLES 1 25.1341 24.8485 27.2463 HAL3 3018 0 0 0 9.000000e-023024 3022 NA SLES 1 28.9318 49.5872 32.5611 NA 0 0 0 0 1 .000000e+003025 3023 S SLES 1 27.5829 48.0161 34.7716 SL 3024 3025 3026 3027 1.33 0000e+003026 3024 OS1 SLES 1 27.2934 47.2612 33.5404 OSL 3023 3028 0 0 - 2.800000e-013027 3025 OS2 SLES 1 26.9818 49.208 34.2159 O2L 3023 0 0 0 - 6.500000e-013028 3026 OS3 SLES 1 29.0049 47.8875 34.5514 O2L 3023 0 0 0 - 6.500000e-013029 3027 OS4 SLES 1 26.9446 47.3141 35.8495 O2L 3023 0 0 0 - 6.500000e-013030 3028 C2 SLES 1 26.5944 46.0878 33.415 CC32A 3024 3029 3030 3031 - 1.100000e-013031 3029 H2A SLES 1 25.5415 46.2111 33.7825 HCA2 3028 0 0 0 9.000000e-023032 3030 H2B SLES 1 27.0982 45.2588 33.9793 HCA2 3028 0 0 0 9.000000e-023033 3031 C1 SLES 1 26.6376 45.8477 31.8905 CC32A 3028 3032 3033 3034 - 1.000000e-023034 3032 H1B SLES 1 26.1604 46.6978 31.3373 HCA2 3031 0 0 0 9.000000e-023035 3033 H1A SLES 1 27.6913 45.7358 31.535 HCA2 3031 0 0 0 9.000000e-023036 3034 O1 SLES 1 26.0074 44.7211 31.373 OC30A 3031 3035 0 0 - 3.400000e-013037 3035 C2 SLES 1 25.3381 43.8601 32.2761 CC32A 3034 3036 3037 3038 - 1.000000e-023038 3036 H2A SLES 1 24.5263 44.4189 32.824 HCA2 3035 0 0 0 9.000000e-023039 3037 H2B SLES 1 26.0432 43.4356 33.0285 HCA2 3035 0 0 0 9.000000e-023040 3038 C1 SLES 1 24.829 43.0716 31.0152 CC32A 3035 3039 3040 3041 - 1.000000e-023041 3039 H1B SLES 1 23.7889 43.2926 31.2889 HCA2 3038 0 0 0 9.000000e-023042 3040 H1A SLES 1 25.4885 42.2593 31.4923 HCA2 3038 0 0 0 9.000000e-023043 3041 O1 SLES 1 24.5208 41.9955 30.1672 OC30A 3038 3042 0 0 - 3.400000e-013044 3042 C1 SLES 1 23.6674 40.9741 30.6634 CTL2 3041 3043 3044 3045 - 1.800000e-013045 3043 H11 SLES 1 22.7288 41.3213 31.1789 HAL2 3042 0 0 0 9.000000e-023046 3044 H12 SLES 1 24.2183 40.3239 31.3889 HAL2 3042 0 0 0 9.000000e-023047 3045 C2 SLES 1 23.3609 40.2532 29.3514 CTL2 3042 3046 3047 3048 - 1.800000e-013048 3046 H21 SLES 1 22.7599 40.8654 28.6369 HAL2 3045 0 0 0 9.000000e-023049 3047 H22 SLES 1 24.2773 39.8828 28.8304 HAL2 3045 0 0 0 9.000000e-023050 3048 C3 SLES 1 22.56 39.0948 29.7908 CTL2 3045 3049 3050 3051 - 1.800000e-013051 3049 H31 SLES 1 21.665 39.5412 30.3037 HAL2 3048 0 0 0 9.000000e-023052 3050 H32 SLES 1 23.2258 38.5367 30.5056 HAL2 3048 0 0 0 9.000000e-023053 3051 C4 SLES 1 22.0448 38.0913 28.8107 CTL2 3048 3052 3053 3054 - 1.800000e-013054 3052 H41 SLES 1 21.3661 38.5665 28.0602 HAL2 3051 0 0 0 9.000000e-023055 3053 H42 SLES 1 22.8781 37.5974 28.2579 HAL2 3051 0 0 0 9.000000e-023056 3054 C5 SLES 1 21.3246 37.1706 29.805 CTL2 3051 3055 3056 3057 - 1.800000e-013057 3055 H51 SLES 1 20.5496 37.743 30.381 HAL2 3054 0 0 0 9.000000e-023058 3056 H52 SLES 1 22.0434 36.785 30.5751 HAL2 3054 0 0 0 9.000000e-023059 3057 C6 SLES 1 20.6422 35.9947 29.2528 CTL2 3054 3058 3059 3060 - 1.800000e-013060 3058 H61 SLES 1 19.5729 36.0645 29.5912 HAL2 3057 0 0 0 9.000000e-023061 3059 H62 SLES 1 21.0708 35.1037 29.7856 HAL2 3057 0 0 0 9.000000e-023062 3060 C7 SLES 1 20.7156 35.8002 27.7335 CTL2 3057 3061 3062 3063 - 1.800000e-013063 3061 H71 SLES 1 20.2325 36.6178 27.1479 HAL2 3060 0 0 0 9.000000e-023064 3062 H72 SLES 1 21.7488 35.6449 27.345 HAL2 3060 0 0 0 9.000000e-023065 3063 C8 SLES 1 19.9252 34.5473 27.6197 CTL2 3060 3064 3065 3066 - 1.800000e-013066 3064 H81 SLES 1 18.9089 34.7735 28.0487 HAL2 3063 0 0 0 9.000000e-023067 3065 H82 SLES 1 20.458 33.7802 28.2508 HAL2 3063 0 0 0 9.000000e-023068 3066 C9 SLES 1 19.6952 33.9184 26.2898 CTL2 3063 3067 3068 3069 - 1.800000e-013069 3067 H91 SLES 1 19.1477 34.6205 25.622 HAL2 3066 0 0 0 9.000000e-023070 3068 H92 SLES 1 20.667 33.6458 25.8203 HAL2 3066 0 0 0 9.000000e-023071 3069 C10 SLES 1 18.8635 32.7056 26.7021 CTL2 3066 3070 3071 3072 - 1.800000e-013072 3070 H10 SLES 1 17.9341 33.0433 27.2354 HAL2 3069 0 0 0 9.000000e-023073 3071 H10 SLES 1 19.4421 32.076 27.4317 HAL2 3069 0 0 0 9.000000e-023074 3072 C11 SLES 1 18.4399 31.8167 25.5783 CTL2 3069 3073 3074 3075 - 1.800000e-013075 3073 H11 SLES 1 17.848 32.4394 24.8677 HAL2 3072 0 0 0 9.000000e-023076 3074 H11 SLES 1 19.3653 31.4666 25.0649 HAL2 3072 0 0 0 9.000000e-023077 3075 C12 SLES 1 17.6189 30.651 26.1368 CTL3 3072 3076 3077 3078 - 2.700000e-013078 3076 H12 SLES 1 16.5955 30.6709 25.7145 HAL3 3075 0 0 0 9.000000e-023079 3077 H12 SLES 1 18.1231 29.6906 25.9135 HAL3 3075 0 0 0 9.000000e-023080 3078 H12 SLES 1 17.5074 30.702 27.2479 HAL3 3075 0 0 0 9.000000e-023081 3079 NA SLES 1 15.6021 55.1998 32.6883 NA 0 0 0 0 1 .000000e+003082 3080 S SLES 1 14.0324 53.5908 34.7185 SL 3081 3082 3083 3084 1.33 0000e+003083 3081 OS1 SLES 1 14.1459 52.7095 33.5438 OSL 3080 3085 0 0 - 2.800000e-013084 3082 OS2 SLES 1 13.4044 54.6203 33.9208 O2L 3080 0 0 0 - 6.500000e-013085 3083 OS3 SLES 1 15.4702 53.6876 34.8218 O2L 3080 0 0 0 - 6.500000e-013086 3084 OS4 SLES 1 13.2763 52.8726 35.7056 O2L 3080 0 0 0 - 6.500000e-013087 3085 C2 SLES 1 13.6752 51.4292 33.4011 CC32A 3081 3086 3087 3088 - 1.100000e-013088 3086 H2A SLES 1 12.5599 51.4001 33.5201 HCA2 3085 0 0 0 9.000000e-023089 3087 H2B SLES 1 14.154 50.7406 34.1469 HCA2 3085 0 0 0 9.000000e-023090 3088 C1 SLES 1 14.0996 51.0883 31.9564 CC32A 3085 3089 3090 3091 - 1.000000e-023091 3089 H1B SLES 1 13.6408 51.8029 31.2248 HCA2 3088 0 0 0 9.000000e-023092 3090 H1A SLES 1 15.2112 51.1296 31.848 HCA2 3088 0 0 0 9.000000e-023093 3091 O1 SLES 1 13.7776 49.8367 31.4426 OC30A 3088 3092 0 0 - 3.400000e-013094 3092 C2 SLES 1 13.0549 48.9441 32.2707 CC32A 3091 3093 3094 3095 - 1.000000e-023095 3093 H2A SLES 1 12.0662 49.397 32.5687 HCA2 3092 0 0 0 9.000000e-023096 3094 H2B SLES 1 13.6248 48.7009 33.1979 HCA2 3092 0 0 0 9.000000e-023097 3095 C1 SLES 1 12.9688 47.9906 31.024 CC32A 3092 3096 3097 3098 - 1.000000e-023098 3096 H1B SLES 1 11.8727 48.0528 31.0441 HCA2 3095 0 0 0 9.000000e-023099 3097 H1A SLES 1 13.6148 47.3382 31.7165 HCA2 3095 0 0 0 9.000000e-023100 3098 O1 SLES 1 13.0245 46.8186 30.2524 OC30A 3095 3099 0 0 - 3.400000e-013101 3099 C1 SLES 1 12.241 45.7073 30.6638 CTL2 3098 3100 3101 3102 - 1.800000e-013102 3100 H11 SLES 1 11.1689 45.9285 30.9264 HAL2 3099 0 0 0 9.000000e-023103 3101 H12 SLES 1 12.7021 45.2144 31.5566 HAL2 3099 0 0 0 9.000000e-023104 3102 C2 SLES 1 12.3516 44.8506 29.4034 CTL2 3099 3103 3104 3105 - 1.800000e-013105 3103 H21 SLES 1 11.8455 45.2988 28.5147 HAL2 3102 0 0 0 9.000000e-023106 3104 H22 SLES 1 13.407 44.6026 29.1332 HAL2 3102 0 0 0 9.000000e-023107 3105 C3 SLES 1 11.6519 43.6094 29.7857 CTL2 3102 3106 3107 3108 - 1.800000e-013108 3106 H31 SLES 1 10.6077 43.9352 30.0442 HAL2 3105 0 0 0 9.000000e-023109 3107 H32 SLES 1 12.2123 43.2255 30.6825 HAL2 3105 0 0 0 9.000000e-023110 3108 C4 SLES 1 11.5277 42.4642 28.8338 CTL2 3105 3109 3110 3111 - 1.800000e-013111 3109 H41 SLES 1 10.9753 42.7619 27.9086 HAL2 3108 0 0 0 9.000000e-023112 3110 H42 SLES 1 12.5286 42.0783 28.5286 HAL2 3108 0 0 0 9.000000e-023113 3111 C5 SLES 1 10.7441 41.511 29.7462 CTL2 3108 3112 3113 3114 - 1.800000e-013114 3112 H51 SLES 1 9.78241 41.9855 30.0779 HAL2 3111 0 0 0 9.000000e-023115 3113 H52 SLES 1 11.3174 41.3096 30.6891 HAL2 3111 0 0 0 9.000000e-023116 3114 C6 SLES 1 10.387 40.1996 29.193 CTL2 3111 3115 3116 3117 - 1.800000e-013117 3115 H61 SLES 1 9.27042 40.1131 29.286 HAL2 3114 0 0 0 9.000000e-023118 3116 H62 SLES 1 10.8097 39.4351 29.8988 HAL2 3114 0 0 0 9.000000e-023119 3117 C7 SLES 1 10.8325 39.9091 27.7547 CTL2 3114 3118 3119 3120 - 1.800000e-013120 3118 H71 SLES 1 10.3802 40.5884 26.994 HAL2 3117 0 0 0 9.000000e-023121 3119 H72 SLES 1 11.9384 39.9019 27.6146 HAL2 3117 0 0 0 9.000000e-023122 3120 C8 SLES 1 10.283 38.536 27.6125 CTL2 3117 3121 3122 3123 - 1.800000e-013123 3121 H81 SLES 1 9.17371 38.6188 27.7877 HAL2 3120 0 0 0 9.000000e-023124 3122 H82 SLES 1 10.7653 37.9182 28.4225 HAL2 3120 0 0 0 9.000000e-023125 3123 C9 SLES 1 10.4576 37.7814 26.3409 CTL2 3120 3124 3125 3126 - 1.800000e-013126 3124 H91 SLES 1 9.97908 38.3303 25.4992 HAL2 3123 0 0 0 9.000000e-023127 3125 H92 SLES 1 11.5402 37.6425 26.1219 HAL2 3123 0 0 0 9.000000e-023128 3126 C10 SLES 1 9.74249 36.4795 26.6963 CTL2 3123 3127 3128 3129 - 1.800000e-013129 3127 H10 SLES 1 8.67656 36.6942 26.9791 HAL2 3126 0 0 0 9.000000e-023130 3128 H10 SLES 1 10.2262 36.0117 27.5967 HAL2 3126 0 0 0 9.000000e-023131 3129 C11 SLES 1 9.72227 35.4518 25.612 CTL2 3126 3130 3131 3132 - 1.800000e-013132 3130 H11 SLES 1 9.22242 35.9119 24.7279 HAL2 3129 0 0 0 9.000000e-023133 3131 H11 SLES 1 10.7816 35.2257 25.3489 HAL2 3129 0 0 0 9.000000e-023134 3132 C12 SLES 1 8.97717 34.2087 26.1065 CTL3 3129 3133 3134 3135 - 2.700000e-013135 3133 H12 SLES 1 8.08554 34.0249 25.4761 HAL3 3132 0 0 0 9.000000e-023136 3134 H12 SLES 1 9.65525 33.3332 26.1019 HAL3 3132 0 0 0 9.000000e-023137 3135 H12 SLES 1 8.60915 34.3218 27.1559 HAL3 3132 0 0 0 9.000000e-023138 3136 NA SLES 1 1.2519 57.2544 32.9359 NA 0 0 0 0 1 .000000e+003139 3137 S SLES 1 -0.48998 55.4372 34.6204 SL 3138 3139 3140 3141 1.33 0000e+003140 3138 OS1 SLES 1 0.0356554 54.5718 33.5508 OSL 3137 3142 0 0 - 2.800000e-013141 3139 OS2 SLES 1 -1.06018 56.3418 33.6472 O2L 3137 0 0 0 - 6.500000e-013142 3140 OS3 SLES 1 0.848698 55.7667 35.0524 O2L 3137 0 0 0 - 6.500000e-013143 3141 OS4 SLES 1 -1.34 54.618 35.438 O2L 3137 0 0 0 - 6.500000e-013144 3142 C2 SLES 1 -0.183811 53.2305 33.3664 CC32A 3138 3143 3144 3145 - 1.100000e-013145 3143 H2A SLES 1 -1.27696 53.0227 33.2223 HCA2 3142 0 0 0 9.000000e-023146 3144 H2B SLES 1 0.203164 52.6376 34.2372 HCA2 3142 0 0 0 9.000000e-023147 3145 C1 SLES 1 0.621073 52.9455 32.0802 CC32A 3142 3146 3147 3148 - 1.000000e-023148 3146 H1B SLES 1 0.245908 53.5675 31.2266 HCA2 3145 0 0 0 9.000000e-023149 3147 H1A SLES 1 1.7063 53.1649 32.2331 HCA2 3145 0 0 0 9.000000e-023150 3148 O1 SLES 1 0.6284 51.6522 31.5688 OC30A 3145 3149 0 0 - 3.400000e-013151 3149 C2 SLES 1 -0.124691 50.6644 32.2485 CC32A 3148 3150 3151 3152 - 1.000000e-023152 3150 H2A SLES 1 -1.21367 50.9548 32.2837 HCA2 3149 0 0 0 9.000000e-023153 3151 H2B SLES 1 0.23748 50.5278 33.2943 HCA2 3149 0 0 0 9.000000e-023154 3152 C1 SLES 1 0.238069 49.6946 31.0659 CC32A 3149 3153 3154 3155 - 1.000000e-023155 3153 H1B SLES 1 -0.827066 49.5788 30.8256 HCA2 3152 0 0 0 9.000000e-023156 3154 H1A SLES 1 0.792486 49.1638 31.9222 HCA2 3152 0 0 0 9.000000e-023157 3155 O1 SLES 1 0.656792 48.5378 30.3887 OC30A 3152 3156 0 0 - 3.400000e-013158 3156 C1 SLES 1 -0.0211082 47.3195 30.6605 CTL2 3155 3157 3158 3159 - 1.800000e-013159 3157 H11 SLES 1 -1.1458 47.3673 30.6534 HAL2 3156 0 0 0 9.000000e-023160 3158 H12 SLES 1 0.28348 46.9184 31.66 HAL2 3156 0 0 0 9.000000e-023161 3159 C2 SLES 1 0.518503 46.4768 29.5057 CTL2 3156 3160 3161 3162 - 1.800000e-013162 3160 H21 SLES 1 0.176663 46.8264 28.5019 HAL2 3159 0 0 0 9.000000e-023163 3161 H22 SLES 1 1.63312 46.3997 29.5028 HAL2 3159 0 0 0 9.000000e-023164 3162 C3 SLES 1 -0.0521241 45.1435 29.7754 CTL2 3159 3163 3164 3165 - 1.800000e-013165 3163 H31 SLES 1 -1.16526 45.299 29.7657 HAL2 3162 0 0 0 9.000000e-023166 3164 H32 SLES 1 0.329941 44.8661 30.7966 HAL2 3162 0 0 0 9.000000e-023167 3165 C4 SLES 1 0.233177 43.9819 28.8797 CTL2 3162 3166 3167 3168 - 1.800000e-013168 3166 H41 SLES 1 -0.121143 44.175 27.8372 HAL2 3165 0 0 0 9.000000e-023169 3167 H42 SLES 1 1.32523 43.7594 28.8371 HAL2 3165 0 0 0 9.000000e-023170 3168 C5 SLES 1 -0.589096 42.9254 29.63 CTL2 3165 3169 3170 3171 - 1.800000e-013171 3169 H51 SLES 1 -1.66356 43.242 29.7031 HAL2 3168 0 0 0 9.000000e-023172 3170 H52 SLES 1 -0.233893 42.8309 30.6899 HAL2 3168 0 0 0 9.000000e-023173 3171 C6 SLES 1 -0.596769 41.567 29.0752 CTL2 3168 3172 3173 3174 - 1.800000e-013174 3172 H61 SLES 1 -1.67606 41.302 28.9085 HAL2 3171 0 0 0 9.000000e-023175 3173 H62 SLES 1 -0.242321 40.8896 29.8979 HAL2 3171 0 0 0 9.000000e-023176 3174 C7 SLES 1 0.219079 41.3351 27.7976 CTL2 3171 3175 3176 3177 - 1.800000e-013177 3175 H71 SLES 1 -0.137471 41.923 26.919 HAL2 3174 0 0 0 9.000000e-023178 3176 H72 SLES 1 1.31388 41.5053 27.9209 HAL2 3174 0 0 0 9.000000e-023179 3177 C8 SLES 1 -0.0617829 39.8896 27.6 CTL2 3174 3178 3179 3180 - 1.800000e-013180 3178 H81 SLES 1 -1.1799 39.7938 27.5063 HAL2 3177 0 0 0 9.000000e-023181 3179 H82 SLES 1 0.302254 39.3677 28.5303 HAL2 3177 0 0 0 9.000000e-023182 3180 C9 SLES 1 0.526095 39.1579 26.4442 CTL2 3177 3181 3182 3183 - 1.800000e-013183 3181 H91 SLES 1 0.183926 39.6119 25.4874 HAL2 3180 0 0 0 9.000000e-023184 3182 H92 SLES 1 1.63769 39.1934 26.4919 HAL2 3180 0 0 0 9.000000e-023185 3183 C10 SLES 1 -0.0435056 37.7618 26.6873 CTL2 3180 3184 3185 3186 - 1.800000e-013186 3184 H10 SLES 1 -1.1661 37.8045 26.7015 HAL2 3183 0 0 0 9.000000e-023187 3185 H10 SLES 1 0.277096 37.3893 27.6982 HAL2 3183 0 0 0 9.000000e-023188 3186 C11 SLES 1 0.355008 36.7314 25.6813 CTL2 3183 3187 3188 3189 - 1.800000e-013189 3187 H11 SLES 1 0.0162057 37.0938 24.6829 HAL2 3186 0 0 0 9.000000e-023190 3188 H11 SLES 1 1.46831 36.6765 25.6853 HAL2 3186 0 0 0 9.000000e-023191 3189 C12 SLES 1 -0.285688 35.3902 26.0495 CTL3 3186 3190 3191 3192 - 2.700000e-013192 3190 H12 SLES 1 -0.961353 35.0569 25.238 HAL3 3189 0 0 0 9.000000e-023193 3191 H12 SLES 1 0.500563 34.6359 26.2478 HAL3 3189 0 0 0 9.000000e-023194 3192 H12 SLES 1 -0.906853 35.4548 26.9765 HAL3 3189 0 0 0 9.000000e-023195 3193 NA SLES 1 -13.2018 55.5862 33.287 NA 0 0 0 0 1 .000000e+003196 3194 S SLES 1 -14.9719 53.4395 34.4842 SL 3195 3196 3197 3198 1.33 0000e+003197 3195 OS1 SLES 1 -14.0775 52.7205 33.5609 OSL 3194 3199 0 0 - 2.800000e-013198 3196 OS2 SLES 1 -15.4371 54.2931 33.4138 O2L 3194 0 0 0 - 6.500000e-013199 3197 OS3 SLES 1 -13.843 53.9496 35.2277 O2L 3194 0 0 0 - 6.500000e-013200 3198 OS4 SLES 1 -15.8455 52.459 35.0648 O2L 3194 0 0 0 - 6.500000e-013201 3199 C2 SLES 1 -14.0276 51.3724 33.3132 CC32A 3195 3200 3201 3202 - 1.100000e-013202 3200 H2A SLES 1 -15.0082 51.0059 32.9094 HCA2 3199 0 0 0 9.000000e-023203 3201 H2B SLES 1 -13.7645 50.8033 34.244 HCA2 3199 0 0 0 9.000000e-023204 3202 C1 SLES 1 -12.9088 51.28 32.2534 CC32A 3199 3203 3204 3205 - 1.000000e-023205 3203 H1B SLES 1 -13.1693 51.8788 31.3424 HCA2 3202 0 0 0 9.000000e-023206 3204 H1A SLES 1 -11.9398 51.6563 32.664 HCA2 3202 0 0 0 9.000000e-023207 3205 O1 SLES 1 -12.5728 50.0307 31.7431 OC30A 3202 3206 0 0 - 3.400000e-013208 3206 C2 SLES 1 -13.2939 48.9056 32.2111 CC32A 3205 3207 3208 3209 - 1.000000e-023209 3207 H2A SLES 1 -14.3931 49.0224 31.9883 HCA2 3206 0 0 0 9.000000e-023210 3208 H2B SLES 1 -13.1694 48.7742 33.3114 HCA2 3206 0 0 0 9.000000e-023211 3209 C1 SLES 1 -12.5124 48.064 31.1379 CC32A 3206 3210 3211 3212 - 1.000000e-023212 3210 H1B SLES 1 -13.4585 47.7975 30.6485 HCA2 3209 0 0 0 9.000000e-023213 3211 H1A SLES 1 -12.0954 47.5829 32.0955 HCA2 3209 0 0 0 9.000000e-023214 3212 O1 SLES 1 -11.7652 47.0213 30.5665 OC30A 3209 3213 0 0 - 3.400000e-013215 3213 C1 SLES 1 -12.2815 45.7008 30.6538 CTL2 3212 3214 3215 3216 - 1.800000e-013216 3214 H11 SLES 1 -13.3658 45.5748 30.3784 HAL2 3213 0 0 0 9.000000e-023217 3215 H12 SLES 1 -12.1586 45.3019 31.6921 HAL2 3213 0 0 0 9.000000e-023218 3216 C2 SLES 1 -11.3575 45.0107 29.6513 CTL2 3213 3217 3218 3219 - 1.800000e-013219 3217 H21 SLES 1 -11.5068 45.3533 28.5992 HAL2 3216 0 0 0 9.000000e-023220 3218 H22 SLES 1 -10.2758 45.1067 29.9142 HAL2 3216 0 0 0 9.000000e-023221 3219 C3 SLES 1 -11.7518 43.5934 29.7607 CTL2 3216 3220 3221 3222 - 1.800000e-013222 3220 H31 SLES 1 -12.8418 43.5756 29.487 HAL2 3219 0 0 0 9.000000e-023223 3221 H32 SLES 1 -11.5797 43.3273 30.8403 HAL2 3219 0 0 0 9.000000e-023224 3222 C4 SLES 1 -11.0806 42.5362 28.9453 CTL2 3219 3223 3224 3225 - 1.800000e-013225 3223 H41 SLES 1 -11.2075 42.7245 27.8507 HAL2 3222 0 0 0 9.000000e-023226 3224 H42 SLES 1 -9.98776 42.4874 29.1624 HAL2 3222 0 0 0 9.000000e-023227 3225 C5 SLES 1 -11.8736 41.3292 29.4644 CTL2 3222 3226 3227 3228 - 1.800000e-013228 3226 H51 SLES 1 -12.9719 41.472 29.2823 HAL2 3225 0 0 0 9.000000e-023229 3227 H52 SLES 1 -11.7658 41.2374 30.5773 HAL2 3225 0 0 0 9.000000e-023230 3228 C6 SLES 1 -11.5312 40.0154 28.9076 CTL2 3225 3229 3230 3231 - 1.800000e-013231 3229 H61 SLES 1 -12.4839 39.5957 28.4845 HAL2 3228 0 0 0 9.000000e-023232 3230 H62 SLES 1 -11.2743 39.3603 29.7829 HAL2 3228 0 0 0 9.000000e-023233 3231 C7 SLES 1 -10.4125 39.9768 27.8594 CTL2 3228 3232 3233 3234 - 1.800000e-013234 3232 H71 SLES 1 -10.6438 40.5459 26.9282 HAL2 3231 0 0 0 9.000000e-023235 3233 H72 SLES 1 -9.41933 40.3074 28.2429 HAL2 3231 0 0 0 9.000000e-023236 3234 C8 SLES 1 -10.4015 38.517 27.5829 CTL2 3231 3235 3236 3237 - 1.800000e-013237 3235 H81 SLES 1 -11.4359 38.2546 27.2235 HAL2 3234 0 0 0 9.000000e-023238 3236 H82 SLES 1 -10.1858 38.0115 28.567 HAL2 3234 0 0 0 9.000000e-023239 3237 C9 SLES 1 -9.44892 37.9438 26.5925 CTL2 3234 3238 3239 3240 - 1.800000e-013240 3238 H91 SLES 1 -9.62644 38.387 25.5872 HAL2 3237 0 0 0 9.000000e-023241 3239 H92 SLES 1 -8.40022 38.148 26.9051 HAL2 3237 0 0 0 9.000000e-023242 3240 C10 SLES 1 -9.82591 36.4661 26.6755 CTL2 3237 3241 3242 3243 - 1.800000e-013243 3241 H10 SLES 1 -10.9123 36.3342 26.4215 HAL2 3240 0 0 0 9.000000e-023244 3242 H10 SLES 1 -9.69491 36.0972 27.7292 HAL2 3240 0 0 0 9.000000e-023245 3243 C11 SLES 1 -9.04161 35.5614 25.7817 CTL2 3240 3244 3245 3246 - 1.800000e-013246 3244 H11 SLES 1 -9.19135 35.9169 24.7357 HAL2 3243 0 0 0 9.000000e-023247 3245 H11 SLES 1 -7.96639 35.6789 26.0511 HAL2 3243 0 0 0 9.000000e-023248 3246 C12 SLES 1 -9.52492 34.1206 25.9698 CTL3 3243 3247 3248 3249 - 2.700000e-013249 3247 H12 SLES 1 -9.92874 33.7282 25.0164 HAL3 3246 0 0 0 9.000000e-023250 3248 H12 SLES 1 -8.69552 33.4877 26.3413 HAL3 3246 0 0 0 9.000000e-023251 3249 H12 SLES 1 -10.3479 34.0419 26.7222 HAL3 3246 0 0 0 9.000000e-023252 3250 NA SLES 1 -26.8144 50.2565 33.7177 NA 0 0 0 0 1 .000000e+003253 3251 S SLES 1 -28.4116 47.7541 34.3189 SL 3252 3253 3254 3255 1.33 0000e+003254 3252 OS1 SLES 1 -27.233 47.2803 33.5734 OSL 3251 3256 0 0 - 2.800000e-013255 3253 OS2 SLES 1 -28.775 48.6412 33.2364 O2L 3251 0 0 0 - 6.500000e-013256 3254 OS3 SLES 1 -27.5695 48.3412 35.3355 O2L 3251 0 0 0 - 6.500000e-013257 3255 OS4 SLES 1 -29.211 46.5978 34.6115 O2L 3251 0 0 0 - 6.500000e-013258 3256 C2 SLES 1 -26.9053 45.9895 33.2452 CC32A 3252 3257 3258 3259 - 1.100000e-013259 3257 H2A SLES 1 -27.7013 45.5284 32.6028 HCA2 3256 0 0 0 9.000000e-023260 3258 H2B SLES 1 -26.7546 45.3674 34.167 HCA2 3256 0 0 0 9.000000e-023261 3259 C1 SLES 1 -25.5871 46.1797 32.4643 CC32A 3256 3260 3261 3262 - 1.000000e-023262 3260 H1B SLES 1 -25.7445 46.8292 31.5645 HCA2 3259 0 0 0 9.000000e-023263 3261 H1A SLES 1 -24.8053 46.648 33.1114 HCA2 3259 0 0 0 9.000000e-023264 3262 O1 SLES 1 -24.9446 45.057 31.9536 OC30A 3259 3263 0 0 - 3.400000e-013265 3263 C2 SLES 1 -25.5489 43.7935 32.1609 CC32A 3262 3264 3265 3266 - 1.000000e-023266 3264 H2A SLES 1 -26.579 43.77 31.7028 HCA2 3263 0 0 0 9.000000e-023267 3265 H2B SLES 1 -25.6415 43.5626 33.248 HCA2 3263 0 0 0 9.000000e-023268 3266 C1 SLES 1 -24.4263 43.1988 31.2351 CC32A 3263 3267 3268 3269 - 1.000000e-023269 3267 H1B SLES 1 -25.1877 42.8504 30.5248 HCA2 3266 0 0 0 9.000000e-023270 3268 H1A SLES 1 -24.1481 42.683 32.2245 HCA2 3266 0 0 0 9.000000e-023271 3269 O1 SLES 1 -23.4099 42.3466 30.774 OC30A 3266 3270 0 0 - 3.400000e-013272 3270 C1 SLES 1 -23.7031 40.9628 30.6439 CTL2 3269 3271 3272 3273 - 1.800000e-013273 3271 H11 SLES 1 -24.6667 40.7087 30.1203 HAL2 3270 0 0 0 9.000000e-023274 3272 H12 SLES 1 -23.7389 40.4755 31.6508 HAL2 3270 0 0 0 9.000000e-023275 3273 C2 SLES 1 -22.484 40.5304 29.8305 CTL2 3270 3274 3275 3276 - 1.800000e-013276 3274 H21 SLES 1 -22.4611 40.9599 28.8001 HAL2 3273 0 0 0 9.000000e-023277 3275 H22 SLES 1 -21.5151 40.7559 30.3392 HAL2 3273 0 0 0 9.000000e-023278 3276 C3 SLES 1 -22.6482 39.0669 29.7426 CTL2 3273 3277 3278 3279 - 1.800000e-013279 3277 H31 SLES 1 -23.6359 38.9182 29.2271 HAL2 3276 0 0 0 9.000000e-023280 3278 H32 SLES 1 -22.6678 38.7131 30.8104 HAL2 3276 0 0 0 9.000000e-023281 3279 C4 SLES 1 -21.6504 38.216 29.0261 CTL2 3276 3280 3281 3282 - 1.800000e-013282 3280 H41 SLES 1 -21.571 38.5017 27.9482 HAL2 3279 0 0 0 9.000000e-023283 3281 H42 SLES 1 -20.6367 38.3059 29.4823 HAL2 3279 0 0 0 9.000000e-023284 3282 C5 SLES 1 -22.3209 36.8556 29.2607 CTL2 3279 3283 3284 3285 - 1.800000e-013285 3283 H51 SLES 1 -23.3633 36.8536 28.8441 HAL2 3282 0 0 0 9.000000e-023286 3284 H52 SLES 1 -22.439 36.6599 30.359 HAL2 3282 0 0 0 9.000000e-023287 3285 C6 SLES 1 -21.6516 35.6756 28.7015 CTL2 3282 3286 3287 3288 - 1.800000e-013288 3286 H61 SLES 1 -22.4077 35.1684 28.0427 HAL2 3285 0 0 0 9.000000e-023289 3287 H62 SLES 1 -21.4806 34.9742 29.5617 HAL2 3285 0 0 0 9.000000e-023290 3288 C7 SLES 1 -20.345 35.9174 27.9359 CTL2 3285 3289 3290 3291 - 1.800000e-013291 3289 H71 SLES 1 -20.465 36.5443 27.0209 HAL2 3288 0 0 0 9.000000e-023292 3290 H72 SLES 1 -19.5266 36.3473 28.5588 HAL2 3288 0 0 0 9.000000e-023293 3291 C8 SLES 1 -20.0297 34.5142 27.5626 CTL2 3288 3292 3293 3294 - 1.800000e-013294 3292 H81 SLES 1 -20.9045 34.1427 26.9586 HAL2 3291 0 0 0 9.000000e-023295 3293 H82 SLES 1 -19.9468 33.9418 28.53 HAL2 3291 0 0 0 9.000000e-023296 3294 C9 SLES 1 -18.8054 34.1997 26.7759 CTL2 3291 3295 3296 3297 - 1.800000e-013297 3295 H91 SLES 1 -18.8366 34.7188 25.7919 HAL2 3294 0 0 0 9.000000e-023298 3296 H92 SLES 1 -17.8971 34.5213 27.3334 HAL2 3294 0 0 0 9.000000e-023299 3297 C10 SLES 1 -18.9371 32.6824 26.6619 CTL2 3294 3298 3299 3300 - 1.800000e-013300 3298 H10 SLES 1 -19.9063 32.4199 26.158 HAL2 3297 0 0 0 9.000000e-023301 3299 H10 SLES 1 -18.9735 32.2241 27.6877 HAL2 3297 0 0 0 9.000000e-023302 3300 C11 SLES 1 -17.8395 32.0065 25.9063 CTL2 3297 3301 3302 3303 - 1.800000e-013303 3301 H11 SLES 1 -17.8205 32.448 24.8827 HAL2 3300 0 0 0 9.000000e-023304 3302 H11 SLES 1 -16.8819 32.2515 26.4215 HAL2 3300 0 0 0 9.000000e-023305 3303 C12 SLES 1 -18.1021 30.4983 25.8729 CTL3 3300 3304 3305 3306 - 2.700000e-013306 3304 H12 SLES 1 -18.2215 30.1569 24.8263 HAL3 3303 0 0 0 9.000000e-023307 3305 H12 SLES 1 -17.2765 29.9582 26.376 HAL3 3303 0 0 0 9.000000e-023308 3306 H12 SLES 1 -19.0412 30.2171 26.41 HAL3 3303 0 0 0 9.000000e-023309 3307 NA SLES 1 -38.6671 41.5632 34.1987 NA 0 0 0 0 1 .000000e+003310 3308 S SLES 1 -39.8907 38.7931 34.1359 SL 3309 3310 3311 3312 1.33 0000e+003311 3309 OS1 SLES 1 -38.5348 38.6199 33.5875 OSL 3308 3313 0 0 - 2.800000e-013312 3310 OS2 SLES 1 -40.2032 39.7808 33.1272 O2L 3308 0 0 0 - 6.500000e-013313 3311 OS3 SLES 1 -39.3564 39.3245 35.3686 O2L 3308 0 0 0 - 6.500000e-013314 3312 OS4 SLES 1 -40.5182 37.5019 34.1089 O2L 3308 0 0 0 - 6.500000e-013315 3313 C2 SLES 1 -37.9367 37.4595 33.1669 CC32A 3309 3314 3315 3316 - 1.100000e-013316 3314 H2A SLES 1 -38.5145 36.9977 32.3232 HCA2 3313 0 0 0 9.000000e-023317 3315 H2B SLES 1 -37.8473 36.7257 34.0114 HCA2 3313 0 0 0 9.000000e-023318 3316 C1 SLES 1 -36.5535 37.9604 32.6985 CC32A 3313 3317 3318 3319 - 1.000000e-023319 3317 H1B SLES 1 -36.6581 38.7165 31.8777 HCA2 3316 0 0 0 9.000000e-023320 3318 H1A SLES 1 -35.9916 38.4264 33.5449 HCA2 3316 0 0 0 9.000000e-023321 3319 O1 SLES 1 -35.647 37.0387 32.1859 OC30A 3316 3320 0 0 - 3.400000e-013322 3320 C2 SLES 1 -36.0519 35.6846 32.1014 CC32A 3319 3321 3322 3323 - 1.000000e-023323 3321 H2A SLES 1 -36.9646 35.5869 31.4464 HCA2 3320 0 0 0 9.000000e-023324 3322 H2B SLES 1 -36.2949 35.2712 33.1082 HCA2 3320 0 0 0 9.000000e-023325 3323 C1 SLES 1 -34.6974 35.4143 31.351 CC32A 3320 3324 3325 3326 - 1.000000e-023326 3324 H1B SLES 1 -35.249 35.0784 30.463 HCA2 3323 0 0 0 9.000000e-023327 3325 H1A SLES 1 -34.5148 34.7918 32.3005 HCA2 3323 0 0 0 9.000000e-023328 3326 O1 SLES 1 -33.484 34.8026 30.9968 OC30A 3323 3327 0 0 - 3.400000e-013329 3327 C1 SLES 1 -33.5067 33.43 30.6317 CTL2 3326 3328 3329 3330 - 1.800000e-013330 3328 H11 SLES 1 -34.3037 33.1272 29.8966 HAL2 3327 0 0 0 9.000000e-023331 3329 H12 SLES 1 -33.6363 32.7874 31.5387 HAL2 3327 0 0 0 9.000000e-023332 3330 C2 SLES 1 -32.1066 33.314 30.0308 CTL2 3327 3331 3332 3333 - 1.800000e-013333 3331 H21 SLES 1 -31.9754 33.9021 29.0909 HAL2 3330 0 0 0 9.000000e-023334 3332 H22 SLES 1 -31.297 33.5921 30.7489 HAL2 3330 0 0 0 9.000000e-023335 3333 C3 SLES 1 -31.9982 31.8755 29.7223 CTL2 3330 3334 3335 3336 - 1.800000e-013336 3334 H31 SLES 1 -32.838 31.6708 29.0039 HAL2 3333 0 0 0 9.000000e-023337 3335 H32 SLES 1 -32.1459 31.3556 30.7091 HAL2 3333 0 0 0 9.000000e-023338 3336 C4 SLES 1 -30.7577 31.3033 29.1166 CTL2 3333 3337 3338 3339 - 1.800000e-013339 3337 H41 SLES 1 -30.5385 31.7668 28.1232 HAL2 3336 0 0 0 9.000000e-023340 3338 H42 SLES 1 -29.8719 31.4639 29.775 HAL2 3336 0 0 0 9.000000e-023341 3339 C5 SLES 1 -31.2149 29.8407 29.0327 CTL2 3336 3340 3341 3342 - 1.800000e-013342 3340 H51 SLES 1 -32.1505 29.7555 28.4184 HAL2 3339 0 0 0 9.000000e-023343 3341 H52 SLES 1 -31.4906 29.4563 30.0499 HAL2 3339 0 0 0 9.000000e-023344 3342 C6 SLES 1 -30.2638 28.8747 28.4709 CTL2 3339 3343 3344 3345 - 1.800000e-013345 3343 H61 SLES 1 -30.7921 28.3763 27.6134 HAL2 3342 0 0 0 9.000000e-023346 3344 H62 SLES 1 -30.1302 28.0763 29.2494 HAL2 3342 0 0 0 9.000000e-023347 3345 C7 SLES 1 -28.9035 29.4219 28.0217 CTL2 3342 3346 3347 3348 - 1.800000e-013348 3346 H71 SLES 1 -28.9652 30.1637 27.1907 HAL2 3345 0 0 0 9.000000e-023349 3347 H72 SLES 1 -28.2952 29.8596 28.847 HAL2 3345 0 0 0 9.000000e-023350 3348 C8 SLES 1 -28.2902 28.1571 27.5403 CTL2 3345 3349 3350 3351 - 1.800000e-013351 3349 H81 SLES 1 -28.9666 27.7653 26.7297 HAL2 3348 0 0 0 9.000000e-023352 3350 H82 SLES 1 -28.2831 27.4548 28.4219 HAL2 3348 0 0 0 9.000000e-023353 3351 C9 SLES 1 -26.9101 28.1527 26.9818 CTL2 3348 3352 3353 3354 - 1.800000e-013354 3352 H91 SLES 1 -26.8549 28.8131 26.0876 HAL2 3351 0 0 0 9.000000e-023355 3353 H92 SLES 1 -26.1844 28.508 27.7474 HAL2 3351 0 0 0 9.000000e-023356 3354 C10 SLES 1 -26.7562 26.6704 26.6474 CTL2 3351 3355 3356 3357 - 1.800000e-013357 3355 H10 SLES 1 -27.5607 26.3554 25.9291 HAL2 3354 0 0 0 9.000000e-023358 3356 H10 SLES 1 -26.8948 26.053 27.5764 HAL2 3354 0 0 0 9.000000e-023359 3357 C11 SLES 1 -25.4422 26.2899 26.0466 CTL2 3354 3358 3359 3360 - 1.800000e-013360 3358 H11 SLES 1 -25.318 26.8881 25.1139 HAL2 3357 0 0 0 9.000000e-023361 3359 H11 SLES 1 -24.648 26.5844 26.7711 HAL2 3357 0 0 0 9.000000e-023362 3360 C12 SLES 1 -25.4311 24.7847 25.7653 CTL3 3357 3361 3362 3363 - 2.700000e-013363 3361 H12 SLES 1 -25.3021 24.6022 24.6807 HAL3 3360 0 0 0 9.000000e-023364 3362 H12 SLES 1 -24.6275 24.2955 26.3495 HAL3 3360 0 0 0 9.000000e-023365 3363 H12 SLES 1 -26.388 24.2887 26.0614 HAL3 3360 0 0 0 9.000000e-023366 3364 NA SLES 1 -47.9271 30.0377 34.6971 NA 0 0 0 0 1 .000000e+003367 3365 S SLES 1 -48.6369 27.1901 33.9478 SL 3366 3367 3368 3369 1.33 0000e+003368 3366 OS1 SLES 1 -47.2118 27.3278 33.6022 OSL 3365 3370 0 0 - 2.800000e-013369 3367 OS2 SLES 1 -48.9809 28.3048 33.0936 O2L 3365 0 0 0 - 6.500000e-013370 3368 OS3 SLES 1 -48.3668 27.534 35.3247 O2L 3365 0 0 0 - 6.500000e-013371 3369 OS4 SLES 1 -49.0238 25.854 33.5915 O2L 3365 0 0 0 - 6.500000e-013372 3370 C2 SLES 1 -46.3734 26.3741 33.0838 CC32A 3366 3371 3372 3373 - 1.100000e-013373 3371 H2A SLES 1 -46.7484 26.0131 32.0898 HCA2 3370 0 0 0 9.000000e-023374 3372 H2B SLES 1 -46.2696 25.5062 33.7877 HCA2 3370 0 0 0 9.000000e-023375 3373 C1 SLES 1 -45.0481 27.153 32.9401 CC32A 3370 3374 3375 3376 - 1.000000e-023376 3374 H1B SLES 1 -45.1736 28.0355 32.2606 HCA2 3373 0 0 0 9.000000e-023377 3375 H1A SLES 1 -44.6896 27.5152 33.9348 HCA2 3373 0 0 0 9.000000e-023378 3376 O1 SLES 1 -43.9376 26.4935 32.4242 OC30A 3373 3377 0 0 - 3.400000e-013379 3377 C2 SLES 1 -44.0889 25.1401 32.0367 CC32A 3376 3378 3379 3380 - 1.000000e-023380 3378 H2A SLES 1 -44.8781 25.0457 31.2369 HCA2 3377 0 0 0 9.000000e-023381 3379 H2B SLES 1 -44.3859 24.5022 32.9018 HCA2 3377 0 0 0 9.000000e-023382 3380 C1 SLES 1 -42.6222 25.2242 31.4776 CC32A 3377 3381 3382 3383 - 1.000000e-023383 3381 H1B SLES 1 -42.9876 24.9979 30.4672 HCA2 3380 0 0 0 9.000000e-023384 3382 H1A SLES 1 -42.4601 24.4565 32.3182 HCA2 3380 0 0 0 9.000000e-023385 3383 O1 SLES 1 -41.286 24.8775 31.2199 OC30A 3380 3384 0 0 - 3.400000e-013386 3384 C1 SLES 1 -41.0245 23.6177 30.618 CTL2 3383 3385 3386 3387 - 1.800000e-013387 3385 H11 SLES 1 -41.655 23.3573 29.7225 HAL2 3384 0 0 0 9.000000e-023388 3386 H12 SLES 1 -41.1583 22.794 31.3637 HAL2 3384 0 0 0 9.000000e-023389 3387 C2 SLES 1 -39.5592 23.8278 30.2388 CTL2 3384 3388 3389 3390 - 1.800000e-013390 3388 H21 SLES 1 -39.4102 24.6055 29.4517 HAL2 3387 0 0 0 9.000000e-023391 3389 H22 SLES 1 -38.9099 24.0695 31.1153 HAL2 3387 0 0 0 9.000000e-023392 3390 C3 SLES 1 -39.1656 22.5116 29.7011 CTL2 3387 3391 3392 3393 - 1.800000e-013393 3391 H31 SLES 1 -39.8571 22.3367 28.8324 HAL2 3390 0 0 0 9.000000e-023394 3392 H32 SLES 1 -39.3487 21.7883 30.5432 HAL2 3390 0 0 0 9.000000e-023395 3393 C4 SLES 1 -37.7771 22.2577 29.2106 CTL2 3390 3394 3395 3396 - 1.800000e-013396 3394 H41 SLES 1 -37.5137 22.9381 28.3636 HAL2 3393 0 0 0 9.000000e-023397 3395 H42 SLES 1 -37.0254 22.4085 30.0206 HAL2 3393 0 0 0 9.000000e-023398 3396 C5 SLES 1 -37.9609 20.7916 28.796 CTL2 3393 3397 3398 3399 - 1.800000e-013399 3397 H51 SLES 1 -38.7799 20.6977 28.0342 HAL2 3396 0 0 0 9.000000e-023400 3398 H52 SLES 1 -38.2962 20.1749 29.671 HAL2 3396 0 0 0 9.000000e-023401 3399 C6 SLES 1 -36.7929 20.1055 28.2317 CTL2 3396 3400 3401 3402 - 1.800000e-013402 3400 H61 SLES 1 -37.1115 19.7189 27.2258 HAL2 3399 0 0 0 9.000000e-023403 3401 H62 SLES 1 -36.6262 19.1946 28.8672 HAL2 3399 0 0 0 9.000000e-023404 3402 C7 SLES 1 -35.5004 20.922 28.1112 CTL2 3399 3403 3404 3405 - 1.800000e-013405 3403 H71 SLES 1 -35.5803 21.7989 27.4262 HAL2 3402 0 0 0 9.000000e-023406 3404 H72 SLES 1 -35.0891 21.2678 29.0878 HAL2 3402 0 0 0 9.000000e-023407 3405 C8 SLES 1 -34.6212 19.8816 27.5176 CTL2 3402 3406 3407 3408 - 1.800000e-013408 3406 H81 SLES 1 -35.1089 19.5675 26.5524 HAL2 3405 0 0 0 9.000000e-023409 3407 H82 SLES 1 -34.608 19.0249 28.2499 HAL2 3405 0 0 0 9.000000e-023410 3408 C9 SLES 1 -33.2002 20.1884 27.1961 CTL2 3405 3409 3410 3411 - 1.800000e-013411 3409 H91 SLES 1 -33.1439 21.016 26.4541 HAL2 3408 0 0 0 9.000000e-023412 3410 H92 SLES 1 -32.6523 20.4833 28.1191 HAL2 3408 0 0 0 9.000000e-023413 3411 C10 SLES 1 -32.7514 18.8416 26.6329 CTL2 3408 3412 3413 3414 - 1.800000e-013414 3412 H10 SLES 1 -33.3893 18.5649 25.7504 HAL2 3411 0 0 0 9.000000e-023415 3413 H10 SLES 1 -32.9012 18.0367 27.403 HAL2 3411 0 0 0 9.000000e-023416 3414 C11 SLES 1 -31.3247 18.783 26.193 CTL2 3411 3415 3416 3417 - 1.800000e-013417 3415 H11 SLES 1 -31.1852 19.568 25.4136 HAL2 3414 0 0 0 9.000000e-023418 3416 H11 SLES 1 -30.6941 19.037 27.0763 HAL2 3414 0 0 0 9.000000e-023419 3417 C12 SLES 1 -31.0182 17.3827 25.6543 CTL3 3414 3418 3419 3420 - 2.700000e-013420 3418 H12 SLES 1 -30.7199 17.4425 24.5896 HAL3 3417 0 0 0 9.000000e-023421 3419 H12 SLES 1 -30.2252 16.907 26.2637 HAL3 3417 0 0 0 9.000000e-023422 3420 H12 SLES 1 -31.9057 16.7047 25.7001 HAL3 3417 0 0 0 9.000000e-023423 3421 NA SLES 1 -53.9112 16.4251 35.179 NA 0 0 0 0 1 .000000e+003424 3422 S SLES 1 -54.0743 13.7503 33.7672 SL 3423 3424 3425 3426 1.33 0000e+003425 3423 OS1 SLES 1 -52.6713 14.1723 33.6165 OSL 3422 3427 0 0 - 2.800000e-013426 3424 OS2 SLES 1 -54.5374 14.9669 33.1379 O2L 3422 0 0 0 - 6.500000e-013427 3425 OS3 SLES 1 -53.968 13.8075 35.2068 O2L 3422 0 0 0 - 6.500000e-013428 3426 OS4 SLES 1 -54.2035 12.4884 33.0943 O2L 3422 0 0 0 - 6.500000e-013429 3427 C2 SLES 1 -51.6485 13.4965 33.0015 CC32A 3423 3428 3429 3430 - 1.100000e-013430 3428 H2A SLES 1 -51.8832 13.3201 31.9185 HCA2 3427 0 0 0 9.000000e-023431 3429 H2B SLES 1 -51.452 12.5161 33.5113 HCA2 3427 0 0 0 9.000000e-023432 3430 C1 SLES 1 -50.4663 14.4746 33.1725 CC32A 3427 3431 3432 3433 - 1.000000e-023433 3431 H1B SLES 1 -50.6883 15.4603 32.6871 HCA2 3430 0 0 0 9.000000e-023434 3432 H1A SLES 1 -50.2481 14.6497 34.2546 HCA2 3430 0 0 0 9.000000e-023435 3433 O1 SLES 1 -49.2258 14.1217 32.6523 OC30A 3430 3434 0 0 - 3.400000e-013436 3434 C2 SLES 1 -49.1181 12.8851 31.9711 CC32A 3433 3435 3436 3437 - 1.000000e-023437 3435 H2A SLES 1 -49.8192 12.8598 31.0883 HCA2 3434 0 0 0 9.000000e-023438 3436 H2B SLES 1 -49.3662 12.0301 32.6427 HCA2 3434 0 0 0 9.000000e-023439 3437 C1 SLES 1 -47.6494 13.3102 31.6062 CC32A 3434 3438 3439 3440 - 1.000000e-023440 3438 H1B SLES 1 -47.8962 13.2686 30.5371 HCA2 3437 0 0 0 9.000000e-023441 3439 H1A SLES 1 -47.4226 12.4038 32.2765 HCA2 3437 0 0 0 9.000000e-023442 3440 O1 SLES 1 -46.2587 13.2328 31.428 OC30A 3437 3441 0 0 - 3.400000e-013443 3441 C1 SLES 1 -45.7452 12.1961 30.6036 CTL2 3440 3442 3443 3444 - 1.800000e-013444 3442 H11 SLES 1 -46.2552 12.0564 29.6099 HAL2 3441 0 0 0 9.000000e-023445 3443 H12 SLES 1 -45.7929 11.2137 31.1375 HAL2 3441 0 0 0 9.000000e-023446 3444 C2 SLES 1 -44.3123 12.7013 30.4401 CTL2 3441 3445 3446 3447 - 1.800000e-013447 3445 H21 SLES 1 -44.2389 13.6512 29.8579 HAL2 3444 0 0 0 9.000000e-023448 3446 H22 SLES 1 -43.7793 12.8302 31.4135 HAL2 3444 0 0 0 9.000000e-023449 3447 C3 SLES 1 -43.6643 11.6153 29.6806 CTL2 3444 3448 3449 3450 - 1.800000e-013450 3448 H31 SLES 1 -44.2507 11.5427 28.7244 HAL2 3447 0 0 0 9.000000e-023451 3449 H32 SLES 1 -43.7844 10.7002 30.324 HAL2 3447 0 0 0 9.000000e-023452 3450 C4 SLES 1 -42.2206 11.6879 29.3017 CTL2 3447 3451 3452 3453 - 1.800000e-013453 3451 H41 SLES 1 -42.014 12.5747 28.6532 HAL2 3450 0 0 0 9.000000e-023454 3452 H42 SLES 1 -41.5667 11.7596 30.2023 HAL2 3450 0 0 0 9.000000e-023455 3453 C5 SLES 1 -42.1239 10.3442 28.5667 CTL2 3450 3454 3455 3456 - 1.800000e-013456 3454 H51 SLES 1 -42.8572 10.3064 27.7177 HAL2 3453 0 0 0 9.000000e-023457 3455 H52 SLES 1 -42.414 9.50172 29.2483 HAL2 3453 0 0 0 9.000000e-023458 3456 C6 SLES 1 -40.8188 9.98514 28.0001 CTL2 3453 3457 3458 3459 - 1.800000e-013459 3457 H61 SLES 1 -40.9929 9.79517 26.9063 HAL2 3456 0 0 0 9.000000e-023460 3458 H62 SLES 1 -40.5483 8.98833 28.4411 HAL2 3456 0 0 0 9.000000e-023461 3459 C7 SLES 1 -39.677 10.9894 28.1981 CTL2 3456 3460 3461 3462 - 1.800000e-013462 3460 H71 SLES 1 -39.8528 11.9776 27.7112 HAL2 3459 0 0 0 9.000000e-023463 3461 H72 SLES 1 -39.4026 11.1605 29.2649 HAL2 3459 0 0 0 9.000000e-023464 3462 C8 SLES 1 -38.5939 10.2534 27.496 CTL2 3459 3463 3464 3465 - 1.800000e-013465 3463 H81 SLES 1 -38.9494 10.0989 26.4387 HAL2 3462 0 0 0 9.000000e-023466 3464 H82 SLES 1 -38.4905 9.26397 28.0259 HAL2 3462 0 0 0 9.000000e-023467 3465 C9 SLES 1 -37.2251 10.8319 27.4043 CTL2 3462 3466 3467 3468 - 1.800000e-013468 3466 H91 SLES 1 -37.2545 11.8058 26.8664 HAL2 3465 0 0 0 9.000000e-023469 3467 H92 SLES 1 -36.8041 10.9864 28.4232 HAL2 3465 0 0 0 9.000000e-023470 3468 C10 SLES 1 -36.5157 9.73039 26.6195 CTL2 3465 3469 3470 3471 - 1.800000e-013471 3469 H10 SLES 1 -37.0313 9.57088 25.6341 HAL2 3468 0 0 0 9.000000e-023472 3470 H10 SLES 1 -36.584 8.7581 27.1793 HAL2 3468 0 0 0 9.000000e-023473 3471 C11 SLES 1 -35.0711 9.9851 26.3355 CTL2 3468 3472 3473 3474 - 1.800000e-013474 3472 H11 SLES 1 -35.0089 10.9388 25.7614 HAL2 3471 0 0 0 9.000000e-023475 3473 H11 SLES 1 -34.5589 10.1216 27.3161 HAL2 3471 0 0 0 9.000000e-023476 3474 C12 SLES 1 -34.4944 8.8055 25.5476 CTL3 3471 3475 3476 3477 - 2.700000e-013477 3475 H12 SLES 1 -34.133 9.14978 24.5592 HAL3 3474 0 0 0 9.000000e-023478 3476 H12 SLES 1 -33.6797 8.32599 26.1244 HAL3 3474 0 0 0 9.000000e-023479 3477 H12 SLES 1 -35.256 8.01138 25.3507 HAL3 3474 0 0 0 9.000000e-023480 3478 NA SLES 1 -56.1462 1.64418 35.6115 NA 0 0 0 0 1 .000000e+003481 3479 S SLES 1 -55.8572 -0.607557 33.6065 SL 3480 3481 3482 3483 1.33 0000e+003482 3480 OS1 SLES 1 -54.5392 0.0495181 33.6295 OSL 3479 3484 0 0 - 2.800000e-013483 3481 OS2 SLES 1 -56.5035 0.637759 33.257 O2L 3479 0 0 0 - 6.500000e-013484 3482 OS3 SLES 1 -55.7789 -0.880562 35.023 O2L 3479 0 0 0 - 6.500000e-013485 3483 OS4 SLES 1 -55.7723 -1.67631 32.6512 O2L 3479 0 0 0 - 6.500000e-013486 3484 C2 SLES 1 -53.4132 -0.293442 32.9255 CC32A 3480 3485 3486 3487 - 1.100000e-013487 3485 H2A SLES 1 -53.6032 -0.239842 31.821 HCA2 3484 0 0 0 9.000000e-023488 3486 H2B SLES 1 -53.0668 -1.32482 33.2009 HCA2 3484 0 0 0 9.000000e-023489 3487 C1 SLES 1 -52.4071 0.785828 33.38 CC32A 3484 3488 3489 3490 - 1.000000e-023490 3488 H1B SLES 1 -52.7798 1.81251 33.1283 HCA2 3487 0 0 0 9.000000e-023491 3489 H1A SLES 1 -52.2331 0.728524 34.4825 HCA2 3487 0 0 0 9.000000e-023492 3490 O1 SLES 1 -51.1196 0.763312 32.8546 OC30A 3487 3491 0 0 - 3.400000e-013493 3491 C2 SLES 1 -50.805 -0.242648 31.9092 CC32A 3490 3492 3493 3494 - 1.000000e-023494 3492 H2A SLES 1 -51.4821 -0.164001 31.0109 HCA2 3491 0 0 0 9.000000e-023495 3493 H2B SLES 1 -50.9195 -1.26114 32.3486 HCA2 3491 0 0 0 9.000000e-023496 3494 C1 SLES 1 -49.4202 0.478817 31.7282 CC32A 3491 3495 3496 3497 - 1.000000e-023497 3495 H1B SLES 1 -49.6441 0.65649 30.668 HCA2 3494 0 0 0 9.000000e-023498 3496 H1A SLES 1 -49.0578 -0.515444 32.1782 HCA2 3494 0 0 0 9.000000e-023499 3497 O1 SLES 1 -48.0332 0.661847 31.6069 OC30A 3494 3498 0 0 - 3.400000e-013500 3498 C1 SLES 1 -47.3488 -0.0556061 30.5897 CTL2 3497 3499 3500 3501 - 1.800000e-013501 3499 H11 SLES 1 -47.8175 -0.0306716 29.5665 HAL2 3498 0 0 0 9.000000e-023502 3500 H12 SLES 1 -47.2433 -1.13244 30.8756 HAL2 3498 0 0 0 9.000000e-023503 3501 C2 SLES 1 -46.0148 0.688909 30.6212 CTL2 3498 3502 3503 3504 - 1.800000e-013504 3502 H21 SLES 1 -46.0891 1.75006 30.2819 HAL2 3501 0 0 0 9.000000e-023505 3503 H22 SLES 1 -45.5214 0.661981 31.6232 HAL2 3501 0 0 0 9.000000e-023506 3504 C3 SLES 1 -45.1904 -0.0705721 29.6621 CTL2 3501 3505 3506 3507 - 1.800000e-013507 3505 H31 SLES 1 -45.7457 -0.00200562 28.6872 HAL2 3504 0 0 0 9.000000e-023508 3506 H32 SLES 1 -45.1685 -1.1202 30.0665 HAL2 3504 0 0 0 9.000000e-023509 3507 C4 SLES 1 -43.7731 0.312422 29.3838 CTL2 3504 3508 3509 3510 - 1.800000e-013510 3508 H41 SLES 1 -43.7049 1.34952 28.972 HAL2 3507 0 0 0 9.000000e-023511 3509 H42 SLES 1 -43.1502 0.266707 30.3078 HAL2 3507 0 0 0 9.000000e-023512 3510 C5 SLES 1 -43.4513 -0.785032 28.3605 CTL2 3507 3511 3512 3513 - 1.800000e-013513 3511 H51 SLES 1 -44.1585 -0.731426 27.4904 HAL2 3510 0 0 0 9.000000e-023514 3512 H52 SLES 1 -43.6094 -1.8004 28.8104 HAL2 3510 0 0 0 9.000000e-023515 3513 C6 SLES 1 -42.0985 -0.792326 27.7919 CTL2 3510 3514 3515 3516 - 1.800000e-013516 3514 H61 SLES 1 -42.2264 -0.739757 26.6766 HAL2 3513 0 0 0 9.000000e-023517 3515 H62 SLES 1 -41.6756 -1.81162 28.0003 HAL2 3513 0 0 0 9.000000e-023518 3516 C7 SLES 1 -41.1368 0.29928 28.2765 CTL2 3513 3517 3518 3519 - 1.800000e-013519 3517 H71 SLES 1 -41.4643 1.33595 28.0263 HAL2 3516 0 0 0 9.000000e-023520 3518 H72 SLES 1 -40.9066 0.250531 29.3662 HAL2 3516 0 0 0 9.000000e-023521 3519 C8 SLES 1 -39.9405 -0.0712677 27.477 CTL2 3516 3520 3521 3522 - 1.800000e-013522 3520 H81 SLES 1 -40.2535 -0.0213796 26.3964 HAL2 3519 0 0 0 9.000000e-023523 3521 H82 SLES 1 -39.6847 -1.13052 27.7651 HAL2 3519 0 0 0 9.000000e-023524 3522 C9 SLES 1 -38.6824 0.716524 27.5922 CTL2 3519 3523 3524 3525 - 1.800000e-013525 3523 H91 SLES 1 -38.8625 1.77424 27.2965 HAL2 3522 0 0 0 9.000000e-023526 3524 H92 SLES 1 -38.3042 0.685989 28.6387 HAL2 3522 0 0 0 9.000000e-023527 3525 C10 SLES 1 -37.7947 -0.0423176 26.608 CTL2 3522 3526 3527 3528 - 1.800000e-013528 3526 H10 SLES 1 -38.2657 -0.0391775 25.588 HAL2 3525 0 0 0 9.000000e-023529 3527 H10 SLES 1 -37.7114 -1.11881 26.9205 HAL2 3525 0 0 0 9.000000e-023530 3528 C11 SLES 1 -36.407 0.492708 26.4645 CTL2 3525 3529 3530 3531 - 1.800000e-013531 3529 H11 SLES 1 -36.493 1.55386 26.1334 HAL2 3528 0 0 0 9.000000e-023532 3530 H11 SLES 1 -35.9355 0.468091 27.4743 HAL2 3528 0 0 0 9.000000e-023533 3531 C12 SLES 1 -35.6375 -0.360704 25.4523 CTL3 3528 3532 3533 3534 - 2.700000e-013534 3532 H12 SLES 1 -35.3247 0.261463 24.5914 HAL3 3531 0 0 0 9.000000e-023535 3533 H12 SLES 1 -34.7629 -0.832578 25.9411 HAL3 3531 0 0 0 9.000000e-023536 3534 H12 SLES 1 -36.2581 -1.19245 25.037 HAL3 3531 0 0 0 9.000000e-023537 3535 NA SLES 1 -54.4187 -13.2727 35.9653 NA 0 0 0 0 1 .000000e+003538 3536 S SLES 1 -53.8868 -14.9152 33.4766 SL 3537 3538 3539 3540 1.33 0000e+003539 3537 OS1 SLES 1 -52.6865 -14.0774 33.6402 OSL 3536 3541 0 0 - 2.800000e-013540 3538 OS2 SLES 1 -54.7343 -13.7442 33.4429 O2L 3536 0 0 0 - 6.500000e-013541 3539 OS3 SLES 1 -53.6962 -15.4958 34.7857 O2L 3536 0 0 0 - 6.500000e-013542 3540 OS4 SLES 1 -53.6861 -15.7024 32.2926 O2L 3536 0 0 0 - 6.500000e-013543 3541 C2 SLES 1 -51.5579 -14.0591 32.8611 CC32A 3537 3542 3543 3544 - 1.100000e-013544 3542 H2A SLES 1 -51.8092 -13.7799 31.8038 HCA2 3541 0 0 0 9.000000e-023545 3543 H2B SLES 1 -51.0431 -15.0562 32.8777 HCA2 3541 0 0 0 9.000000e-023546 3544 C1 SLES 1 -50.7089 -12.968 33.5483 CC32A 3541 3545 3546 3547 - 1.000000e-023547 3545 H1B SLES 1 -51.2477 -11.9852 33.5539 HCA2 3544 0 0 0 9.000000e-023548 3546 H1A SLES 1 -50.4729 -13.2529 34.603 HCA2 3544 0 0 0 9.000000e-023549 3547 O1 SLES 1 -49.4614 -12.6582 33.0173 OC30A 3544 3548 0 0 - 3.400000e-013550 3548 C2 SLES 1 -49.0432 -13.3503 31.8551 CC32A 3547 3549 3550 3551 - 1.000000e-023551 3549 H2A SLES 1 -49.7685 -13.1742 31.0099 HCA2 3548 0 0 0 9.000000e-023552 3550 H2B SLES 1 -48.977 -14.4481 32.0396 HCA2 3548 0 0 0 9.000000e-023553 3551 C1 SLES 1 -47.7972 -12.3922 31.8352 CC32A 3548 3552 3553 3554 - 1.000000e-023554 3552 H1B SLES 1 -48.0988 -12.0099 30.8511 HCA2 3551 0 0 0 9.000000e-023555 3553 H1A SLES 1 -47.2635 -13.392 32.03 HCA2 3551 0 0 0 9.000000e-023556 3554 O1 SLES 1 -46.4629 -11.9638 31.7445 OC30A 3551 3555 0 0 - 3.400000e-013557 3555 C1 SLES 1 -45.728 -12.3027 30.577 CTL2 3554 3556 3557 3558 - 1.800000e-013558 3556 H11 SLES 1 -46.2458 -12.1152 29.5952 HAL2 3555 0 0 0 9.000000e-023559 3557 H12 SLES 1 -45.4433 -13.3849 30.5959 HAL2 3555 0 0 0 9.000000e-023560 3558 C2 SLES 1 -44.525 -11.3805 30.7696 CTL2 3555 3559 3560 3561 - 1.800000e-013561 3559 H21 SLES 1 -44.7791 -10.2958 30.6949 HAL2 3558 0 0 0 9.000000e-023562 3560 H22 SLES 1 -43.9836 -11.561 31.7301 HAL2 3558 0 0 0 9.000000e-023563 3561 C3 SLES 1 -43.6425 -11.7506 29.6468 CTL2 3558 3562 3563 3564 - 1.800000e-013564 3562 H31 SLES 1 -44.2501 -11.5465 28.7234 HAL2 3561 0 0 0 9.000000e-023565 3563 H32 SLES 1 -43.4386 -12.8479 29.7883 HAL2 3561 0 0 0 9.000000e-023566 3564 C4 SLES 1 -42.3171 -11.0889 29.4512 CTL2 3561 3565 3566 3567 - 1.800000e-013567 3565 H41 SLES 1 -42.4306 -9.98725 29.2985 HAL2 3564 0 0 0 9.000000e-023568 3566 H42 SLES 1 -41.649 -11.2482 30.3299 HAL2 3564 0 0 0 9.000000e-023569 3567 C5 SLES 1 -41.8816 -11.8493 28.1913 CTL2 3564 3568 3569 3570 - 1.800000e-013570 3568 H51 SLES 1 -42.6315 -11.7087 27.3679 HAL2 3567 0 0 0 9.000000e-023571 3569 H52 SLES 1 -41.8583 -12.9536 28.3873 HAL2 3567 0 0 0 9.000000e-023572 3570 C6 SLES 1 -40.5743 -11.5043 27.6212 CTL2 3567 3571 3572 3573 - 1.800000e-013573 3571 H61 SLES 1 -40.7646 -11.2135 26.5525 HAL2 3570 0 0 0 9.000000e-023574 3572 H62 SLES 1 -39.9891 -12.4617 27.5747 HAL2 3570 0 0 0 9.000000e-023575 3573 C7 SLES 1 -39.7693 -10.4156 28.3412 CTL2 3570 3574 3575 3576 - 1.800000e-013576 3574 H71 SLES 1 -40.2651 -9.41622 28.3501 HAL2 3573 0 0 0 9.000000e-023577 3575 H72 SLES 1 -39.4799 -10.6801 29.3847 HAL2 3573 0 0 0 9.000000e-023578 3576 C8 SLES 1 -38.5719 -10.39 27.4619 CTL2 3573 3577 3578 3579 - 1.800000e-013579 3577 H81 SLES 1 -38.9428 -10.1399 26.4285 HAL2 3576 0 0 0 9.000000e-023580 3578 H82 SLES 1 -38.1416 -11.4315 27.4853 HAL2 3576 0 0 0 9.000000e-023581 3579 C9 SLES 1 -37.4463 -9.45814 27.747 CTL2 3576 3580 3581 3582 - 1.800000e-013582 3580 H91 SLES 1 -37.8021 -8.40409 27.7149 HAL2 3579 0 0 0 9.000000e-023583 3581 H92 SLES 1 -37.0158 -9.67118 28.7512 HAL2 3579 0 0 0 9.000000e-023584 3582 C10 SLES 1 -36.5027 -9.81152 26.5992 CTL2 3579 3583 3584 3585 - 1.800000e-013585 3583 H10 SLES 1 -37.0192 -9.64599 25.6153 HAL2 3582 0 0 0 9.000000e-023586 3584 H10 SLES 1 -36.2387 -10.9032 26.6443 HAL2 3582 0 0 0 9.000000e-023587 3585 C11 SLES 1 -35.2232 -9.04043 26.5712 CTL2 3582 3586 3587 3588 - 1.800000e-013588 3586 H11 SLES 1 -35.4885 -7.95959 26.5045 HAL2 3585 0 0 0 9.000000e-023589 3587 H11 SLES 1 -34.7034 -9.22409 27.54 HAL2 3585 0 0 0 9.000000e-023590 3588 C12 SLES 1 -34.3831 -9.49707 25.3751 CTL3 3585 3589 3590 3591 - 2.700000e-013591 3589 H12 SLES 1 -34.2137 -8.64848 24.6842 HAL3 3588 0 0 0 9.000000e-023592 3590 H12 SLES 1 -33.4227 -9.92229 25.7262 HAL3 3588 0 0 0 9.000000e-023593 3591 H12 SLES 1 -34.888 -10.2977 24.7804 HAL3 3588 0 0 0 9.000000e-023594 3592 NA SLES 1 -48.8061 -27.2568 36.2161 NA 0 0 0 0 1 .000000e+003595 3593 S SLES 1 -48.3121 -28.2177 33.3864 SL 3594 3595 3596 3597 1.33 0000e+003596 3594 OS1 SLES 1 -47.2383 -27.2441 33.6479 OSL 3593 3598 0 0 - 2.800000e-013597 3595 OS2 SLES 1 -49.3219 -27.2262 33.6828 O2L 3593 0 0 0 - 6.500000e-013598 3596 OS3 SLES 1 -47.8961 -29.0234 34.5112 O2L 3593 0 0 0 - 6.500000e-013599 3597 OS4 SLES 1 -48.1277 -28.6892 32.0427 O2L 3593 0 0 0 - 6.500000e-013600 3598 C2 SLES 1 -46.2165 -26.8704 32.8127 CC32A 3594 3599 3600 3601 - 1.100000e-013601 3599 H2A SLES 1 -46.6202 -26.4187 31.8683 HCA2 3598 0 0 0 9.000000e-023602 3600 H2B SLES 1 -45.5613 -27.7469 32.5638 HCA2 3598 0 0 0 9.000000e-023603 3601 C1 SLES 1 -45.4682 -25.8238 33.6661 CC32A 3598 3602 3603 3604 - 1.000000e-023604 3602 H1B SLES 1 -46.1426 -24.9699 33.9351 HCA2 3601 0 0 0 9.000000e-023605 3603 H1A SLES 1 -45.0791 -26.283 34.6079 HCA2 3601 0 0 0 9.000000e-023606 3604 O1 SLES 1 -44.3457 -25.2025 33.1294 OC30A 3601 3605 0 0 - 3.400000e-013607 3605 C2 SLES 1 -43.9592 -25.5505 31.8125 CC32A 3604 3606 3607 3608 - 1.000000e-023608 3606 H2A SLES 1 -44.7905 -25.3231 31.0854 HCA2 3605 0 0 0 9.000000e-023609 3607 H2B SLES 1 -43.7117 -26.6352 31.7366 HCA2 3605 0 0 0 9.000000e-023610 3608 C1 SLES 1 -42.8782 -24.4144 31.9199 CC32A 3605 3609 3610 3611 - 1.000000e-023611 3609 H1B SLES 1 -43.3386 -23.8875 31.0737 HCA2 3608 0 0 0 9.000000e-023612 3610 H1A SLES 1 -42.1846 -25.3283 31.842 HCA2 3608 0 0 0 9.000000e-023613 3611 O1 SLES 1 -41.6399 -23.7581 31.8314 OC30A 3608 3612 0 0 - 3.400000e-013614 3612 C1 SLES 1 -40.9948 -23.7118 30.5666 CTL2 3611 3613 3614 3615 - 1.800000e-013615 3613 H11 SLES 1 -41.6386 -23.4092 29.6941 HAL2 3612 0 0 0 9.000000e-023616 3614 H12 SLES 1 -40.5529 -24.7093 30.3174 HAL2 3612 0 0 0 9.000000e-023617 3615 C2 SLES 1 -39.9275 -22.6626 30.8752 CTL2 3612 3616 3617 3618 - 1.800000e-013618 3616 H21 SLES 1 -40.3458 -21.6456 31.0685 HAL2 3615 0 0 0 9.000000e-023619 3617 H22 SLES 1 -39.2638 -22.9499 31.7269 HAL2 3615 0 0 0 9.000000e-023620 3618 C3 SLES 1 -39.1279 -22.631 29.6359 CTL2 3615 3619 3620 3621 - 1.800000e-013621 3619 H31 SLES 1 -39.856 -22.3401 28.8305 HAL2 3618 0 0 0 9.000000e-023622 3620 H32 SLES 1 -38.7498 -23.6829 29.5082 HAL2 3618 0 0 0 9.000000e-023623 3621 C4 SLES 1 -37.9442 -21.7293 29.4992 CTL2 3618 3622 3623 3624 - 1.800000e-013624 3622 H41 SLES 1 -38.2352 -20.6556 29.6104 HAL2 3621 0 0 0 9.000000e-023625 3623 H42 SLES 1 -37.168 -21.9574 30.267 HAL2 3621 0 0 0 9.000000e-023626 3624 C5 SLES 1 -37.5412 -22.1193 28.0708 CTL2 3621 3625 3626 3627 - 1.800000e-013627 3625 H51 SLES 1 -38.3889 -21.9348 27.3585 HAL2 3624 0 0 0 9.000000e-023628 3626 H52 SLES 1 -37.3336 -23.2199 28.0077 HAL2 3624 0 0 0 9.000000e-023629 3627 C6 SLES 1 -36.3693 -21.4456 27.4997 CTL2 3624 3628 3629 3630 - 1.800000e-013630 3628 H61 SLES 1 -36.716 -20.9701 26.5423 HAL2 3627 0 0 0 9.000000e-023631 3629 H62 SLES 1 -35.6577 -22.2587 27.1934 HAL2 3627 0 0 0 9.000000e-023632 3630 C7 SLES 1 -35.6604 -20.4158 28.3877 CTL2 3627 3631 3632 3633 - 1.800000e-013633 3631 H71 SLES 1 -36.2945 -19.5393 28.6604 HAL2 3630 0 0 0 9.000000e-023634 3632 H72 SLES 1 -35.223 -20.844 29.3193 HAL2 3630 0 0 0 9.000000e-023635 3633 C8 SLES 1 -34.5831 -20.0022 27.4518 CTL2 3630 3634 3635 3636 - 1.800000e-013636 3634 H81 SLES 1 -35.0974 -19.6037 26.5326 HAL2 3633 0 0 0 9.000000e-023637 3635 H82 SLES 1 -34.0036 -20.937 27.2055 HAL2 3633 0 0 0 9.000000e-023638 3636 C9 SLES 1 -33.5833 -18.9765 27.8581 CTL2 3633 3637 3638 3639 - 1.800000e-013639 3637 H91 SLES 1 -34.0924 -18.0152 28.0933 HAL2 3636 0 0 0 9.000000e-023640 3638 H92 SLES 1 -33.0191 -19.3231 28.7529 HAL2 3636 0 0 0 9.000000e-023641 3639 C10 SLES 1 -32.7288 -18.9132 26.5938 CTL2 3636 3640 3641 3642 - 1.800000e-013642 3640 H10 SLES 1 -33.3684 -18.6312 25.7142 HAL2 3639 0 0 0 9.000000e-023643 3641 H10 SLES 1 -32.303 -19.929 26.3694 HAL2 3639 0 0 0 9.000000e-023644 3642 C11 SLES 1 -31.5881 -17.9496 26.6482 CTL2 3639 3643 3644 3645 - 1.800000e-013645 3643 H11 SLES 1 -32.0159 -16.9399 26.8492 HAL2 3642 0 0 0 9.000000e-023646 3644 H11 SLES 1 -30.9443 -18.2453 27.5088 HAL2 3642 0 0 0 9.000000e-023647 3645 C12 SLES 1 -30.8253 -17.9928 25.3211 CTL3 3642 3646 3647 3648 - 2.700000e-013648 3646 H12 SLES 1 -30.8596 -17.0003 24.8312 HAL3 3645 0 0 0 9.000000e-023649 3647 H12 SLES 1 -29.7801 -18.3151 25.4945 HAL3 3645 0 0 0 9.000000e-023650 3648 H12 SLES 1 -31.2682 -18.7216 24.5984 HAL3 3645 0 0 0 9.000000e-023651 3649 NA SLES 1 -39.6821 -39.2898 36.3469 NA 0 0 0 0 1 .000000e+003652 3650 S SLES 1 -39.5156 -39.6332 33.3421 SL 3651 3652 3653 3654 1.33 0000e+003653 3651 OS1 SLES 1 -38.5653 -38.5515 33.6522 OSL 3650 3655 0 0 - 2.800000e-013654 3652 OS2 SLES 1 -40.5969 -38.899 33.9605 O2L 3650 0 0 0 - 6.500000e-013655 3653 OS3 SLES 1 -38.8128 -40.542 34.2181 O2L 3650 0 0 0 - 6.500000e-013656 3654 OS4 SLES 1 -39.4834 -39.8197 31.9187 O2L 3650 0 0 0 - 6.500000e-013657 3655 C2 SLES 1 -37.7556 -37.8652 32.7835 CC32A 3651 3656 3657 3658 - 1.100000e-013658 3656 H2A SLES 1 -38.3664 -37.3293 32.0099 HCA2 3655 0 0 0 9.000000e-023659 3657 H2B SLES 1 -37.0295 -38.5575 32.2804 HCA2 3655 0 0 0 9.000000e-023660 3658 C1 SLES 1 -37.0386 -36.8739 33.7253 CC32A 3655 3659 3660 3661 - 1.000000e-023661 3659 H1B SLES 1 -37.7769 -36.2103 34.2458 HCA2 3658 0 0 0 9.000000e-023662 3660 H1A SLES 1 -36.4413 -37.4191 34.4967 HCA2 3658 0 0 0 9.000000e-023663 3661 O1 SLES 1 -36.1182 -35.9833 33.1832 OC30A 3658 3662 0 0 - 3.400000e-013664 3662 C2 SLES 1 -35.9021 -36.0201 31.7844 CC32A 3661 3663 3664 3665 - 1.000000e-023665 3663 H2A SLES 1 -36.8633 -35.8137 31.2322 HCA2 3662 0 0 0 9.000000e-023666 3664 H2B SLES 1 -35.5164 -37.015 31.4605 HCA2 3662 0 0 0 9.000000e-023667 3665 C1 SLES 1 -34.993 -34.7522 31.9766 CC32A 3662 3666 3667 3668 - 1.000000e-023668 3666 H1B SLES 1 -35.6543 -34.1707 31.3207 HCA2 3665 0 0 0 9.000000e-023669 3667 H1A SLES 1 -34.1966 -35.5045 31.627 HCA2 3665 0 0 0 9.000000e-023670 3668 O1 SLES 1 -33.8926 -33.8875 31.8616 OC30A 3665 3669 0 0 - 3.400000e-013671 3669 C1 SLES 1 -33.4724 -33.5069 30.5591 CTL2 3668 3670 3671 3672 - 1.800000e-013672 3670 H11 SLES 1 -34.2847 -33.1696 29.8565 HAL2 3669 0 0 0 9.000000e-023673 3671 H12 SLES 1 -32.9372 -34.3532 30.0591 HAL2 3669 0 0 0 9.000000e-023674 3672 C2 SLES 1 -32.5318 -32.3614 30.9309 CTL2 3669 3673 3674 3675 - 1.800000e-013675 3673 H21 SLES 1 -33.0557 -31.4823 31.3774 HAL2 3672 0 0 0 9.000000e-023676 3674 H22 SLES 1 -31.7057 -32.6768 31.6138 HAL2 3672 0 0 0 9.000000e-023677 3675 C3 SLES 1 -31.9546 -31.9731 29.6301 CTL2 3672 3676 3677 3678 - 1.800000e-013678 3676 H31 SLES 1 -32.8368 -31.6735 29.0012 HAL2 3675 0 0 0 9.000000e-023679 3677 H32 SLES 1 -31.4544 -32.9045 29.2454 HAL2 3675 0 0 0 9.000000e-023680 3678 C4 SLES 1 -30.9506 -30.8713 29.5248 CTL2 3675 3679 3680 3681 - 1.800000e-013681 3679 H41 SLES 1 -31.3715 -29.9009 29.8864 HAL2 3678 0 0 0 9.000000e-023682 3680 H42 SLES 1 -30.0366 -31.0951 30.1235 HAL2 3678 0 0 0 9.000000e-023683 3681 C5 SLES 1 -30.7303 -30.9262 28.007 CTL2 3678 3682 3683 3684 - 1.800000e-013684 3682 H51 SLES 1 -31.699 -30.7668 27.4628 HAL2 3681 0 0 0 9.000000e-023685 3683 H52 SLES 1 -30.3792 -31.9457 27.6975 HAL2 3681 0 0 0 9.000000e-023686 3684 C6 SLES 1 -29.7747 -29.9703 27.4357 CTL2 3681 3685 3686 3687 - 1.800000e-013687 3685 H61 SLES 1 -30.3355 -29.3992 26.6469 HAL2 3684 0 0 0 9.000000e-023688 3686 H62 SLES 1 -29.0119 -30.5812 26.8824 HAL2 3684 0 0 0 9.000000e-023689 3687 C7 SLES 1 -29.0883 -29.0081 28.4128 CTL2 3684 3688 3689 3690 - 1.800000e-013690 3688 H71 SLES 1 -29.7899 -28.3165 28.9362 HAL2 3687 0 0 0 9.000000e-023691 3689 H72 SLES 1 -28.4499 -29.5132 29.1743 HAL2 3687 0 0 0 9.000000e-023692 3690 C8 SLES 1 -28.2462 -28.2557 27.4472 CTL2 3687 3691 3692 3693 - 1.800000e-013693 3691 H81 SLES 1 -28.9534 -27.7949 26.7018 HAL2 3690 0 0 0 9.000000e-023694 3692 H82 SLES 1 -27.5852 -29.018 26.9448 HAL2 3690 0 0 0 9.000000e-023695 3693 C9 SLES 1 -27.3524 -27.1619 27.9179 CTL2 3690 3694 3695 3696 - 1.800000e-013696 3694 H91 SLES 1 -27.9502 -26.3599 28.4058 HAL2 3693 0 0 0 9.000000e-023697 3695 H92 SLES 1 -26.6078 -27.5595 28.6437 HAL2 3693 0 0 0 9.000000e-023698 3696 C10 SLES 1 -26.7301 -26.7289 26.5921 CTL2 3693 3697 3698 3699 - 1.800000e-013699 3697 H10 SLES 1 -27.5365 -26.4096 25.8779 HAL2 3696 0 0 0 9.000000e-023700 3698 H10 SLES 1 -26.2041 -27.6 26.1146 HAL2 3696 0 0 0 9.000000e-023701 3699 C11 SLES 1 -25.7463 -25.6086 26.6903 CTL2 3696 3700 3701 3702 - 1.800000e-013702 3700 H11 SLES 1 -26.2772 -24.7396 27.1442 HAL2 3699 0 0 0 9.000000e-023703 3701 H11 SLES 1 -24.9369 -25.9372 27.3827 HAL2 3699 0 0 0 9.000000e-023704 3702 C12 SLES 1 -25.2084 -25.2834 25.294 CTL3 3699 3703 3704 3705 - 2.700000e-013705 3703 H12 SLES 1 -25.4635 -24.2407 25.0224 HAL3 3702 0 0 0 9.000000e-023706 3704 H12 SLES 1 -24.1135 -25.4467 25.2617 HAL3 3702 0 0 0 9.000000e-023707 3705 H12 SLES 1 -25.6519 -25.9375 24.5034 HAL3 3702 0 0 0 9.000000e-023708 3706 NA SLES 1 -27.6934 -48.4906 36.3488 NA 0 0 0 0 1 .000000e+003709 3707 S SLES 1 -28.0868 -48.4066 33.3467 SL 3708 3709 3710 3711 1.33 0000e+003710 3708 OS1 SLES 1 -27.2595 -47.2271 33.6526 OSL 3707 3712 0 0 - 2.800000e-013711 3709 OS2 SLES 1 -29.1159 -47.9562 34.257 O2L 3707 0 0 0 - 6.500000e-013712 3710 OS3 SLES 1 -27.0987 -49.287 33.9264 O2L 3707 0 0 0 - 6.500000e-013713 3711 OS4 SLES 1 -28.3149 -48.3982 31.929 O2L 3707 0 0 0 - 6.500000e-013714 3712 C2 SLES 1 -26.7484 -46.3047 32.7756 CC32A 3708 3713 3714 3715 - 1.100000e-013715 3713 H2A SLES 1 -27.573 -45.786 32.219 HCA2 3712 0 0 0 9.000000e-023716 3714 H2B SLES 1 -26.0463 -46.7903 32.047 HCA2 3712 0 0 0 9.000000e-023717 3715 C1 SLES 1 -26.0072 -45.3357 33.7218 CC32A 3712 3716 3717 3718 - 1.000000e-023718 3716 H1B SLES 1 -26.7135 -44.8825 34.4649 HCA2 3715 0 0 0 9.000000e-023719 3717 H1A SLES 1 -25.1948 -45.8656 34.2772 HCA2 3715 0 0 0 9.000000e-023720 3718 O1 SLES 1 -25.3527 -44.2372 33.1751 OC30A 3715 3719 0 0 - 3.400000e-013721 3719 C2 SLES 1 -25.4192 -44.0541 31.7726 CC32A 3718 3720 3721 3722 - 1.000000e-023722 3720 H2A SLES 1 -26.4913 -43.9462 31.4403 HCA2 3719 0 0 0 9.000000e-023723 3721 H2B SLES 1 -24.9673 -44.917 31.2299 HCA2 3719 0 0 0 9.000000e-023724 3722 C1 SLES 1 -24.6823 -42.6846 32.0013 CC32A 3719 3723 3724 3725 - 1.000000e-023725 3723 H1B SLES 1 -25.5387 -42.1453 31.5754 HCA2 3722 0 0 0 9.000000e-023726 3724 H1A SLES 1 -23.8726 -43.2366 31.3997 HCA2 3722 0 0 0 9.000000e-023727 3725 O1 SLES 1 -23.7638 -41.6358 31.8331 OC30A 3722 3726 0 0 - 3.400000e-013728 3726 C1 SLES 1 -23.6734 -41.0225 30.5549 CTL2 3725 3727 3728 3729 - 1.800000e-013729 3727 H11 SLES 1 -24.6503 -40.7417 30.0712 HAL2 3726 0 0 0 9.000000e-023730 3728 H12 SLES 1 -23.1334 -41.6918 29.8386 HAL2 3726 0 0 0 9.000000e-023731 3729 C2 SLES 1 -22.8523 -39.7905 30.9329 CTL2 3726 3730 3731 3732 - 1.800000e-013732 3730 H21 SLES 1 -23.3967 -39.0803 31.6006 HAL2 3729 0 0 0 9.000000e-023733 3731 H22 SLES 1 -21.869 -40.0449 31.3985 HAL2 3729 0 0 0 9.000000e-023734 3732 C3 SLES 1 -22.6105 -39.1427 29.6297 CTL2 3729 3733 3734 3735 - 1.800000e-013735 3733 H31 SLES 1 -23.6348 -38.9204 29.2239 HAL2 3732 0 0 0 9.000000e-023736 3734 H32 SLES 1 -22.0689 -39.9162 29.0178 HAL2 3732 0 0 0 9.000000e-023737 3735 C4 SLES 1 -21.8175 -37.8804 29.526 CTL2 3732 3736 3737 3738 - 1.800000e-013738 3736 H41 SLES 1 -22.2925 -37.0523 30.1078 HAL2 3735 0 0 0 9.000000e-023739 3737 H42 SLES 1 -20.7793 -38.0194 29.909 HAL2 3735 0 0 0 9.000000e-023740 3738 C5 SLES 1 -21.9013 -37.6988 28.0045 CTL2 3735 3739 3740 3741 - 1.800000e-013741 3739 H51 SLES 1 -22.9723 -37.6392 27.6737 HAL2 3738 0 0 0 9.000000e-023742 3740 H52 SLES 1 -21.4765 -38.5936 27.478 HAL2 3738 0 0 0 9.000000e-023743 3741 C6 SLES 1 -21.228 -36.5266 27.4336 CTL2 3738 3742 3743 3744 - 1.800000e-013744 3742 H61 SLES 1 -22.0122 -35.9629 26.859 HAL2 3741 0 0 0 9.000000e-023745 3743 H62 SLES 1 -20.5121 -36.9199 26.6628 HAL2 3741 0 0 0 9.000000e-023746 3744 C7 SLES 1 -20.505 -35.5959 28.4148 CTL2 3741 3745 3746 3747 - 1.800000e-013747 3745 H71 SLES 1 -21.1792 -35.1094 29.1587 HAL2 3744 0 0 0 9.000000e-023748 3746 H72 SLES 1 -19.6606 -36.0783 28.9597 HAL2 3744 0 0 0 9.000000e-023749 3747 C8 SLES 1 -19.9916 -34.5908 27.4485 CTL2 3744 3748 3749 3750 - 1.800000e-013750 3748 H81 SLES 1 -20.8931 -34.1656 26.9244 HAL2 3747 0 0 0 9.000000e-023751 3749 H82 SLES 1 -19.3424 -35.156 26.7209 HAL2 3747 0 0 0 9.000000e-023752 3750 C9 SLES 1 -19.1885 -33.4301 27.9225 CTL2 3747 3751 3752 3753 - 1.800000e-013753 3751 H91 SLES 1 -19.7852 -32.8133 28.6311 HAL2 3750 0 0 0 9.000000e-023754 3752 H92 SLES 1 -18.2639 -33.7845 28.4311 HAL2 3750 0 0 0 9.000000e-023755 3753 C10 SLES 1 -18.9145 -32.7278 26.5942 CTL2 3750 3754 3755 3756 - 1.800000e-013756 3754 H10 SLES 1 -19.8854 -32.462 26.0953 HAL2 3753 0 0 0 9.000000e-023757 3755 H10 SLES 1 -18.3753 -33.4258 25.8973 HAL2 3753 0 0 0 9.000000e-023758 3756 C11 SLES 1 -18.1029 -31.4773 26.6947 CTL2 3753 3757 3758 3759 - 1.800000e-013759 3757 H11 SLES 1 -18.6513 -30.7791 27.3692 HAL2 3756 0 0 0 9.000000e-023760 3758 H11 SLES 1 -17.1321 -31.7488 27.1705 HAL2 3756 0 0 0 9.000000e-023761 3759 C12 SLES 1 -17.9093 -30.8857 25.2957 CTL3 3756 3760 3761 3762 - 2.700000e-013762 3760 H12 SLES 1 -18.3613 -29.8761 25.2447 HAL3 3759 0 0 0 9.000000e-023763 3761 H12 SLES 1 -16.8314 -30.8524 25.0437 HAL3 3759 0 0 0 9.000000e-023764 3762 H12 SLES 1 -18.4037 -31.4979 24.5019 HAL3 3759 0 0 0 9.000000e-023765 3763 NA SLES 1 -13.7093 -54.1918 36.2216 NA 0 0 0 0 1 .000000e+003766 3764 S SLES 1 -14.7843 -53.9548 33.3998 SL 3765 3766 3767 3768 1.33 0000e+003767 3765 OS1 SLES 1 -14.0928 -52.6785 33.6493 OSL 3764 3769 0 0 - 2.800000e-013768 3766 OS2 SLES 1 -15.6339 -53.7522 34.5521 O2L 3764 0 0 0 - 6.500000e-013769 3767 OS3 SLES 1 -13.5712 -54.6964 33.656 O2L 3764 0 0 0 - 6.500000e-013770 3768 OS4 SLES 1 -15.3281 -53.8806 32.0729 O2L 3764 0 0 0 - 6.500000e-013771 3769 C2 SLES 1 -13.9371 -51.6213 32.7895 CC32A 3765 3770 3771 3772 - 1.100000e-013772 3770 H2A SLES 1 -14.9342 -51.2093 32.4814 HCA2 3769 0 0 0 9.000000e-023773 3771 H2B SLES 1 -13.3556 -51.9268 31.8795 HCA2 3769 0 0 0 9.000000e-023774 3772 C1 SLES 1 -13.1514 -50.6136 33.656 CC32A 3769 3773 3774 3775 - 1.000000e-023775 3773 H1B SLES 1 -13.7288 -50.3417 34.5774 HCA2 3772 0 0 0 9.000000e-023776 3774 H1A SLES 1 -12.1646 -51.0384 33.9643 HCA2 3772 0 0 0 9.000000e-023777 3775 O1 SLES 1 -12.8084 -49.3833 33.1055 OC30A 3772 3776 0 0 - 3.400000e-013778 3776 C2 SLES 1 -13.219 -49.1114 31.778 CC32A 3775 3777 3778 3779 - 1.000000e-023779 3777 H2A SLES 1 -14.3425 -49.1615 31.6956 HCA2 3776 0 0 0 9.000000e-023780 3778 H2B SLES 1 -12.7802 -49.8437 31.0606 HCA2 3776 0 0 0 9.000000e-023781 3779 C1 SLES 1 -12.6601 -47.658 31.9925 CC32A 3776 3780 3781 3782 - 1.000000e-023782 3780 H1B SLES 1 -13.6611 -47.2408 31.8202 HCA2 3779 0 0 0 9.000000e-023783 3781 H1A SLES 1 -11.9363 -48.02 31.1755 HCA2 3779 0 0 0 9.000000e-023784 3782 O1 SLES 1 -11.9695 -46.46 31.7478 OC30A 3779 3783 0 0 - 3.400000e-013785 3783 C1 SLES 1 -12.2643 -45.748 30.5545 CTL2 3782 3784 3785 3786 - 1.800000e-013786 3784 H11 SLES 1 -13.3563 -45.6008 30.3237 HAL2 3783 0 0 0 9.000000e-023787 3785 H12 SLES 1 -11.809 -46.2622 29.6709 HAL2 3783 0 0 0 9.000000e-023788 3786 C2 SLES 1 -11.5701 -44.4264 30.8809 CTL2 3783 3787 3788 3789 - 1.800000e-013789 3787 H21 SLES 1 -12.047 -43.8691 31.7227 HAL2 3786 0 0 0 9.000000e-023790 3788 H22 SLES 1 -10.4801 -44.5453 31.0957 HAL2 3786 0 0 0 9.000000e-023791 3789 C3 SLES 1 -11.7301 -43.6532 29.6348 CTL2 3786 3790 3791 3792 - 1.800000e-013792 3790 H31 SLES 1 -12.8412 -43.5773 29.4834 HAL2 3789 0 0 0 9.000000e-023793 3791 H32 SLES 1 -11.234 -44.2773 28.8409 HAL2 3789 0 0 0 9.000000e-023794 3792 C4 SLES 1 -11.1771 -42.2712 29.5029 CTL2 3789 3793 3794 3795 - 1.800000e-013795 3793 H41 SLES 1 -11.6241 -41.58 30.2593 HAL2 3792 0 0 0 9.000000e-023796 3794 H42 SLES 1 -10.0701 -42.2612 29.6384 HAL2 3792 0 0 0 9.000000e-023797 3795 C5 SLES 1 -11.6313 -41.9949 28.0633 CTL2 3792 3796 3797 3798 - 1.800000e-013798 3796 H51 SLES 1 -12.7462 -42.0923 27.9769 HAL2 3795 0 0 0 9.000000e-023799 3797 H52 SLES 1 -11.2101 -42.7643 27.3639 HAL2 3795 0 0 0 9.000000e-023800 3798 C6 SLES 1 -11.2866 -40.6874 27.4934 CTL2 3795 3799 3800 3801 - 1.800000e-013801 3799 H61 SLES 1 -12.2556 -40.2231 27.1642 HAL2 3798 0 0 0 9.000000e-023802 3800 H62 SLES 1 -10.7151 -40.8967 26.5495 HAL2 3798 0 0 0 9.000000e-023803 3801 C7 SLES 1 -10.5048 -39.723 28.3936 CTL2 3798 3802 3803 3804 - 1.800000e-013804 3802 H71 SLES 1 -11.0561 -39.4129 29.3126 HAL2 3801 0 0 0 9.000000e-023805 3803 H72 SLES 1 -9.49666 -40.095 28.6901 HAL2 3801 0 0 0 9.000000e-023806 3804 C8 SLES 1 -10.3795 -38.5774 27.4557 CTL2 3801 3805 3806 3807 - 1.800000e-013807 3805 H81 SLES 1 -11.4293 -38.2728 27.1853 HAL2 3804 0 0 0 9.000000e-023808 3806 H82 SLES 1 -9.83687 -38.9702 26.5493 HAL2 3804 0 0 0 9.000000e-023809 3807 C9 SLES 1 -9.67008 -37.3361 27.8714 CTL2 3804 3808 3809 3810 - 1.800000e-013810 3808 H91 SLES 1 -10.1741 -36.8823 28.7539 HAL2 3807 0 0 0 9.000000e-023811 3809 H92 SLES 1 -8.61196 -37.5662 28.1295 HAL2 3807 0 0 0 9.000000e-023812 3810 C10 SLES 1 -9.81284 -36.502 26.6 CTL2 3807 3811 3812 3813 - 1.800000e-013813 3811 H10 SLES 1 -10.9002 -36.3675 26.3515 HAL2 3810 0 0 0 9.000000e-023814 3812 H10 SLES 1 -9.34958 -37.0461 25.7323 HAL2 3810 0 0 0 9.000000e-023815 3813 C11 SLES 1 -9.19369 -35.1435 26.6611 CTL2 3810 3814 3815 3816 - 1.800000e-013816 3814 H11 SLES 1 -9.67096 -34.5991 27.509 HAL2 3813 0 0 0 9.000000e-023817 3815 H11 SLES 1 -8.11087 -35.2819 26.8865 HAL2 3813 0 0 0 9.000000e-023818 3816 C12 SLES 1 -9.41358 -34.4265 25.3261 CTL3 3813 3817 3818 3819 - 2.700000e-013819 3817 H12 SLES 1 -10.0094 -33.5065 25.483 HAL3 3816 0 0 0 9.000000e-023820 3818 H12 SLES 1 -8.43854 -34.1938 24.8553 HAL3 3816 0 0 0 9.000000e-023821 3819 H12 SLES 1 -9.9798 -35.0531 24.5939 HAL3 3816 0 0 0 9.000000e-023822 3820 NA SLES 1 1.2519 -55.996 35.974 NA 0 0 0 0 1 .000000e+003823 3821 S SLES 1 -0.48998 -55.9022 33.4978 SL 3822 3823 3824 3825 1.33 0000e+003824 3822 OS1 SLES 1 0.0356554 -54.5339 33.6423 OSL 3821 3826 0 0 - 2.800000e-013825 3823 OS2 SLES 1 -1.06018 -55.8537 34.8257 O2L 3821 0 0 0 - 6.500000e-013826 3824 OS3 SLES 1 0.848698 -56.4407 33.4254 O2L 3821 0 0 0 - 6.500000e-013827 3825 OS4 SLES 1 -1.34 -55.901 32.3405 O2L 3821 0 0 0 - 6.500000e-013828 3826 C2 SLES 1 -0.183811 -53.4551 32.8242 CC32A 3822 3827 3828 3829 - 1.100000e-013829 3827 H2A SLES 1 -1.27696 -53.2063 32.7792 HCA2 3826 0 0 0 9.000000e-023830 3828 H2B SLES 1 0.203164 -53.6515 31.7892 HCA2 3826 0 0 0 9.000000e-023831 3829 C1 SLES 1 0.621073 -52.344 33.5322 CC32A 3826 3830 3831 3832 - 1.000000e-023832 3830 H1B SLES 1 0.245908 -52.1803 34.5756 HCA2 3829 0 0 0 9.000000e-023833 3831 H1A SLES 1 1.7063 -52.6073 33.5792 HCA2 3829 0 0 0 9.000000e-023834 3832 O1 SLES 1 0.6284 -51.068 32.9793 OC30A 3829 3833 0 0 - 3.400000e-013835 3833 C2 SLES 1 -0.124691 -50.8501 31.8002 CC32A 3832 3834 3835 3836 - 1.000000e-023836 3834 H2A SLES 1 -1.21367 -51.0804 31.9807 HCA2 3833 0 0 0 9.000000e-023837 3835 H2B SLES 1 0.23748 -51.493 30.9641 HCA2 3833 0 0 0 9.000000e-023838 3836 C1 SLES 1 0.238069 -49.3281 31.9506 CC32A 3833 3837 3838 3839 - 1.000000e-023839 3837 H1B SLES 1 -0.827066 -49.0763 32.0387 HCA2 3836 0 0 0 9.000000e-023840 3838 H1A SLES 1 0.792486 -49.5583 30.9698 HCA2 3836 0 0 0 9.000000e-023841 3839 O1 SLES 1 0.656792 -48.0313 31.6116 OC30A 3836 3840 0 0 - 3.400000e-013842 3840 C1 SLES 1 -0.0211082 -47.362 30.5578 CTL2 3839 3841 3842 3843 - 1.800000e-013843 3841 H11 SLES 1 -1.1458 -47.3908 30.5967 HAL2 3840 0 0 0 9.000000e-023844 3842 H12 SLES 1 0.28348 -47.7851 29.5675 HAL2 3840 0 0 0 9.000000e-023845 3843 C2 SLES 1 0.518503 -45.9496 30.7786 CTL2 3840 3844 3845 3846 - 1.800000e-013846 3844 H21 SLES 1 0.176663 -45.487 31.7356 HAL2 3843 0 0 0 9.000000e-023847 3845 H22 SLES 1 1.63312 -45.893 30.726 HAL2 3843 0 0 0 9.000000e-023848 3846 C3 SLES 1 -0.0521241 -45.1975 29.645 CTL2 3843 3847 3848 3849 - 1.800000e-013849 3847 H31 SLES 1 -1.16526 -45.3006 29.7619 HAL2 3846 0 0 0 9.000000e-023850 3848 H32 SLES 1 0.329941 -45.7234 28.7268 HAL2 3846 0 0 0 9.000000e-023851 3849 C4 SLES 1 0.233177 -43.7427 29.457 CTL2 3846 3850 3851 3852 - 1.800000e-013852 3850 H41 SLES 1 -0.121143 -43.1421 30.3308 HAL2 3849 0 0 0 9.000000e-023853 3851 H42 SLES 1 1.32523 -43.5553 29.3299 HAL2 3849 0 0 0 9.000000e-023854 3852 C5 SLES 1 -0.589096 -43.5263 28.1795 CTL2 3849 3853 3854 3855 - 1.800000e-013855 3853 H51 SLES 1 -1.66356 -43.8018 28.3516 HAL2 3852 0 0 0 9.000000e-023856 3854 H52 SLES 1 -0.233893 -44.2088 27.3632 HAL2 3852 0 0 0 9.000000e-023857 3855 C6 SLES 1 -0.596769 -42.1734 27.6112 CTL2 3852 3856 3857 3858 - 1.800000e-013858 3856 H61 SLES 1 -1.67606 -41.8681 27.5416 HAL2 3855 0 0 0 9.000000e-023859 3857 H62 SLES 1 -0.242321 -42.2761 26.5505 HAL2 3855 0 0 0 9.000000e-023860 3858 C7 SLES 1 0.219079 -41.1061 28.3506 CTL2 3855 3859 3860 3861 - 1.800000e-013861 3859 H71 SLES 1 -0.137471 -40.9005 29.3876 HAL2 3858 0 0 0 9.000000e-023862 3860 H72 SLES 1 1.31388 -41.3135 28.3838 HAL2 3858 0 0 0 9.000000e-023863 3861 C8 SLES 1 -0.0617829 -39.9441 27.4683 CTL2 3858 3862 3863 3864 - 1.800000e-013864 3862 H81 SLES 1 -1.1799 -39.8102 27.4668 HAL2 3861 0 0 0 9.000000e-023865 3863 H82 SLES 1 0.302254 -40.233 26.4414 HAL2 3861 0 0 0 9.000000e-023866 3864 C9 SLES 1 0.526095 -38.6095 27.7681 CTL2 3861 3865 3866 3867 - 1.800000e-013867 3865 H91 SLES 1 0.183926 -38.2539 28.7657 HAL2 3864 0 0 0 9.000000e-023868 3866 H92 SLES 1 1.63769 -38.6684 27.7595 HAL2 3864 0 0 0 9.000000e-023869 3867 C10 SLES 1 -0.0435056 -37.7942 26.6091 CTL2 3864 3868 3869 3870 - 1.800000e-013870 3868 H10 SLES 1 -1.1661 -37.8345 26.6291 HAL2 3867 0 0 0 9.000000e-023871 3869 H10 SLES 1 0.277096 -38.2456 25.6309 HAL2 3867 0 0 0 9.000000e-023872 3870 C11 SLES 1 0.355008 -36.3543 26.5917 CTL2 3867 3871 3872 3873 - 1.800000e-013873 3871 H11 SLES 1 0.0162057 -35.9046 27.554 HAL2 3870 0 0 0 9.000000e-023874 3872 H11 SLES 1 1.46831 -36.3183 26.5502 HAL2 3870 0 0 0 9.000000e-023875 3873 C12 SLES 1 -0.285688 -35.6662 25.383 CTL3 3870 3874 3875 3876 - 2.700000e-013876 3874 H12 SLES 1 -0.961353 -34.8568 25.7212 HAL3 3873 0 0 0 9.000000e-023877 3875 H12 SLES 1 0.500563 -35.2731 24.7094 HAL3 3873 0 0 0 9.000000e-023878 3876 H12 SLES 1 -0.906853 -36.3674 24.7732 HAL3 3873 0 0 0 9.000000e-023879 3877 NA SLES 1 16.1096 -53.8054 35.6229 NA 0 0 0 0 1 .000000e+003880 3878 S SLES 1 13.8449 -54.106 33.6341 SL 3879 3880 3881 3882 1.33 0000e+003881 3879 OS1 SLES 1 14.1611 -52.6675 33.6322 OSL 3878 3883 0 0 - 2.800000e-013882 3880 OS2 SLES 1 13.6013 -54.0795 35.0591 O2L 3878 0 0 0 - 6.500000e-013883 3881 OS3 SLES 1 15.1984 -54.4344 33.2502 O2L 3878 0 0 0 - 6.500000e-013884 3882 OS4 SLES 1 12.7589 -54.2942 32.7137 O2L 3878 0 0 0 - 6.500000e-013885 3883 C2 SLES 1 13.5846 -51.678 32.8774 CC32A 3879 3884 3885 3886 - 1.100000e-013886 3884 H2A SLES 1 12.4859 -51.6035 33.0921 HCA2 3883 0 0 0 9.000000e-023887 3885 H2B SLES 1 13.7451 -51.8641 31.7823 HCA2 3883 0 0 0 9.000000e-023888 3886 C1 SLES 1 14.3421 -50.4219 33.3589 CC32A 3883 3887 3888 3889 - 1.000000e-023889 3887 H1B SLES 1 14.2002 -50.2658 34.4598 HCA2 3886 0 0 0 9.000000e-023890 3888 H1A SLES 1 15.4361 -50.5118 33.1483 HCA2 3886 0 0 0 9.000000e-023891 3889 O1 SLES 1 14.0132 -49.1894 32.805 OC30A 3886 3890 0 0 - 3.400000e-013892 3890 C2 SLES 1 12.98 -49.1499 31.8376 CC32A 3889 3891 3892 3893 - 1.000000e-023893 3891 H2A SLES 1 12.0155 -49.5361 32.276 HCA2 3890 0 0 0 9.000000e-023894 3892 H2B SLES 1 13.2355 -49.7704 30.947 HCA2 3890 0 0 0 9.000000e-023895 3893 C1 SLES 1 13.1166 -47.5845 31.8786 CC32A 3890 3894 3895 3896 - 1.000000e-023896 3894 H1B SLES 1 12.0754 -47.496 32.2158 HCA2 3893 0 0 0 9.000000e-023897 3895 H1A SLES 1 13.4557 -47.7754 30.7965 HCA2 3893 0 0 0 9.000000e-023898 3896 O1 SLES 1 13.2287 -46.2573 31.4337 OC30A 3893 3897 0 0 - 3.400000e-013899 3897 C1 SLES 1 12.2239 -45.7545 30.5646 CTL2 3896 3898 3899 3900 - 1.800000e-013900 3898 H11 SLES 1 11.1594 -45.9545 30.8717 HAL2 3897 0 0 0 9.000000e-023901 3899 H12 SLES 1 12.3525 -46.1747 29.5354 HAL2 3897 0 0 0 9.000000e-023902 3900 C2 SLES 1 12.5642 -44.2664 30.6329 CTL2 3897 3901 3902 3903 - 1.800000e-013903 3901 H21 SLES 1 12.3857 -43.8146 31.6382 HAL2 3900 0 0 0 9.000000e-023904 3902 H22 SLES 1 13.6113 -44.0412 30.3147 HAL2 3900 0 0 0 9.000000e-023905 3903 C3 SLES 1 11.6301 -43.6693 29.6597 CTL2 3900 3904 3905 3906 - 1.800000e-013906 3904 H31 SLES 1 10.6071 -43.9369 30.0406 HAL2 3903 0 0 0 9.000000e-023907 3905 H32 SLES 1 11.8666 -44.1755 28.6831 HAL2 3903 0 0 0 9.000000e-023908 3906 C4 SLES 1 11.6241 -42.1993 29.3914 CTL2 3903 3907 3908 3909 - 1.800000e-013909 3907 H41 SLES 1 11.3918 -41.6174 30.3172 HAL2 3906 0 0 0 9.000000e-023910 3908 H42 SLES 1 12.611 -41.8522 29.0046 HAL2 3906 0 0 0 9.000000e-023911 3909 C5 SLES 1 10.5018 -42.1768 28.345 CTL2 3906 3910 3911 3912 - 1.800000e-013912 3910 H51 SLES 1 9.55665 -42.6058 28.7724 HAL2 3909 0 0 0 9.000000e-023913 3911 H52 SLES 1 10.7617 -42.8365 27.4758 HAL2 3909 0 0 0 9.000000e-023914 3912 C6 SLES 1 10.1424 -40.8716 27.7788 CTL2 3909 3913 3914 3915 - 1.800000e-013915 3913 H61 SLES 1 9.04209 -40.7404 27.9657 HAL2 3912 0 0 0 9.000000e-023916 3914 H62 SLES 1 10.2505 -40.9715 26.6654 HAL2 3912 0 0 0 9.000000e-023917 3915 C7 SLES 1 10.9249 -39.6553 28.2888 CTL2 3912 3916 3917 3918 - 1.800000e-013918 3916 H71 SLES 1 10.7925 -39.4554 29.3784 HAL2 3915 0 0 0 9.000000e-023919 3917 H72 SLES 1 12.0158 -39.6894 28.0617 HAL2 3915 0 0 0 9.000000e-023920 3918 C8 SLES 1 10.261 -38.5965 27.4853 CTL2 3915 3919 3920 3921 - 1.800000e-013921 3919 H81 SLES 1 9.16711 -38.6369 27.7496 HAL2 3918 0 0 0 9.000000e-023922 3920 H82 SLES 1 10.4164 -38.8769 26.4047 HAL2 3918 0 0 0 9.000000e-023923 3921 C9 SLES 1 10.6788 -37.1737 27.6198 CTL2 3918 3922 3923 3924 - 1.800000e-013924 3922 H91 SLES 1 10.5267 -36.8256 28.6659 HAL2 3921 0 0 0 9.000000e-023925 3923 H92 SLES 1 11.7519 -37.0607 27.3463 HAL2 3921 0 0 0 9.000000e-023926 3924 C10 SLES 1 9.72943 -36.5154 26.6208 CTL2 3921 3925 3926 3927 - 1.800000e-013927 3925 H10 SLES 1 8.66447 -36.7274 26.9092 HAL2 3924 0 0 0 9.000000e-023928 3926 H10 SLES 1 9.88085 -36.9605 25.5998 HAL2 3924 0 0 0 9.000000e-023929 3927 C11 SLES 1 9.87435 -35.0339 26.4913 CTL2 3924 3928 3929 3930 - 1.800000e-013930 3928 H11 SLES 1 9.70203 -34.5941 27.5013 HAL2 3927 0 0 0 9.000000e-023931 3929 H11 SLES 1 10.9261 -34.8287 26.1843 HAL2 3927 0 0 0 9.000000e-023932 3930 C12 SLES 1 8.86583 -34.5146 25.4627 CTL3 3927 3931 3932 3933 - 2.700000e-013933 3931 H12 SLES 1 8.16624 -33.8032 25.9428 HAL3 3930 0 0 0 9.000000e-023934 3932 H12 SLES 1 9.39826 -34.0393 24.6159 HAL3 3930 0 0 0 9.000000e-023935 3933 H12 SLES 1 8.24109 -35.333 25.0276 HAL3 3930 0 0 0 9.000000e-023936 3934 NA SLES 1 29.8108 -47.8213 35.1922 NA 0 0 0 0 1 .000000e+003937 3935 S SLES 1 27.2581 -48.6686 33.7994 SL 3936 3937 3938 3939 1.33 0000e+003938 3936 OS1 SLES 1 27.3198 -47.208 33.6197 OSL 3935 3940 0 0 - 2.800000e-013939 3937 OS2 SLES 1 27.3228 -48.523 35.2365 O2L 3935 0 0 0 - 6.500000e-013940 3938 OS3 SLES 1 28.5342 -48.8332 33.1423 O2L 3935 0 0 0 - 6.500000e-013941 3939 OS4 SLES 1 26.0485 -49.1145 33.167 O2L 3935 0 0 0 - 6.500000e-013942 3940 C2 SLES 1 26.4375 -46.403 32.9455 CC32A 3936 3941 3942 3943 - 1.100000e-013943 3941 H2A SLES 1 25.4133 -46.4687 33.3987 HCA2 3940 0 0 0 9.000000e-023944 3942 H2B SLES 1 26.39 -46.6817 31.8593 HCA2 3940 0 0 0 9.000000e-023945 3943 C1 SLES 1 27.0577 -45.0037 33.148 CC32A 3940 3944 3945 3946 - 1.000000e-023946 3944 H1B SLES 1 27.1294 -44.7511 34.2377 HCA2 3943 0 0 0 9.000000e-023947 3945 H1A SLES 1 28.0807 -44.9533 32.7008 HCA2 3943 0 0 0 9.000000e-023948 3946 O1 SLES 1 26.4155 -43.9013 32.5945 OC30A 3943 3947 0 0 - 3.400000e-013949 3947 C2 SLES 1 25.2083 -44.1207 31.8878 CC32A 3946 3948 3949 3950 - 1.000000e-023950 3948 H2A SLES 1 24.4386 -44.595 32.5616 HCA2 3947 0 0 0 9.000000e-023951 3949 H2B SLES 1 25.3689 -44.7901 31.0105 HCA2 3947 0 0 0 9.000000e-023952 3950 C1 SLES 1 25.085 -42.5573 31.7814 CC32A 3947 3951 3952 3953 - 1.000000e-023953 3951 H1B SLES 1 24.1398 -42.5875 32.3395 HCA2 3950 0 0 0 9.000000e-023954 3952 H1A SLES 1 25.2129 -42.8129 30.6675 HCA2 3950 0 0 0 9.000000e-023955 3953 O1 SLES 1 24.8746 -41.2847 31.2263 OC30A 3950 3954 0 0 - 3.400000e-013956 3954 C1 SLES 1 23.6377 -41.0338 30.5744 CTL2 3953 3955 3956 3957 - 1.800000e-013957 3955 H11 SLES 1 22.7124 -41.3542 31.1298 HAL2 3954 0 0 0 9.000000e-023958 3956 H12 SLES 1 23.6129 -41.5402 29.5767 HAL2 3954 0 0 0 9.000000e-023959 3957 C2 SLES 1 23.7292 -39.5133 30.4538 CTL2 3954 3958 3959 3960 - 1.800000e-013960 3958 H21 SLES 1 23.6955 -38.9858 31.4373 HAL2 3957 0 0 0 9.000000e-023961 3959 H22 SLES 1 24.6312 -39.1719 29.8897 HAL2 3957 0 0 0 9.000000e-023962 3960 C3 SLES 1 22.5223 -39.1706 29.6778 CTL2 3957 3961 3962 3963 - 1.800000e-013963 3961 H31 SLES 1 21.6639 -39.5433 30.3005 HAL2 3960 0 0 0 9.000000e-023964 3962 H32 SLES 1 22.627 -39.7398 28.713 HAL2 3960 0 0 0 9.000000e-023965 3963 C4 SLES 1 22.2119 -37.7558 29.3106 CTL2 3960 3964 3965 3966 - 1.800000e-013966 3964 H41 SLES 1 22.0876 -37.1171 30.2197 HAL2 3963 0 0 0 9.000000e-023967 3965 H42 SLES 1 23.0207 -37.3109 28.6847 HAL2 3963 0 0 0 9.000000e-023968 3966 C5 SLES 1 20.9049 -38.0137 28.5488 CTL2 3963 3967 3968 3969 - 1.800000e-013969 3967 H51 SLES 1 20.1586 -38.5285 29.2106 HAL2 3966 0 0 0 9.000000e-023970 3968 H52 SLES 1 21.0809 -38.7187 27.6941 HAL2 3966 0 0 0 9.000000e-023971 3969 C6 SLES 1 20.2186 -36.8456 27.9849 CTL2 3966 3970 3971 3972 - 1.800000e-013972 3970 H61 SLES 1 19.1774 -36.859 28.4074 HAL2 3969 0 0 0 9.000000e-023973 3971 H62 SLES 1 20.1022 -37.0494 26.8866 HAL2 3969 0 0 0 9.000000e-023974 3972 C7 SLES 1 20.8756 -35.4788 28.2124 CTL2 3969 3973 3974 3975 - 1.800000e-013975 3973 H71 SLES 1 20.9467 -35.1829 29.2857 HAL2 3972 0 0 0 9.000000e-023976 3974 H72 SLES 1 21.8828 -35.3759 27.7459 HAL2 3972 0 0 0 9.000000e-023977 3975 C8 SLES 1 19.8871 -34.6238 27.5056 CTL2 3972 3976 3977 3978 - 1.800000e-013978 3976 H81 SLES 1 18.8975 -34.7964 28.0145 HAL2 3975 0 0 0 9.000000e-023979 3977 H82 SLES 1 19.8536 -34.9944 26.4417 HAL2 3975 0 0 0 9.000000e-023980 3978 C9 SLES 1 20.0783 -33.1489 27.4364 CTL2 3975 3979 3980 3981 - 1.800000e-013981 3979 H91 SLES 1 20.0963 -32.7149 28.4612 HAL2 3978 0 0 0 9.000000e-023982 3980 H92 SLES 1 21.0338 -32.909 26.9181 HAL2 3978 0 0 0 9.000000e-023983 3981 C10 SLES 1 18.8409 -32.7511 26.6344 CTL2 3978 3982 3983 3984 - 1.800000e-013984 3982 H10 SLES 1 17.9131 -33.0854 27.1727 HAL2 3981 0 0 0 9.000000e-023985 3983 H10 SLES 1 18.844 -33.2776 25.6413 HAL2 3981 0 0 0 9.000000e-023986 3984 C11 SLES 1 18.7033 -31.2875 26.3668 CTL2 3981 3985 3986 3987 - 1.800000e-013987 3985 H11 SLES 1 18.6787 -30.7705 27.3542 HAL2 3984 0 0 0 9.000000e-023988 3986 H11 SLES 1 19.6155 -30.9638 25.814 HAL2 3984 0 0 0 9.000000e-023989 3987 C12 SLES 1 17.4261 -31.0384 25.5596 CTL3 3984 3988 3989 3990 - 2.700000e-013990 3988 H12 SLES 1 16.7353 -30.3901 26.1329 HAL3 3987 0 0 0 9.000000e-023991 3989 H12 SLES 1 17.678 -30.5848 24.5813 HAL3 3987 0 0 0 9.000000e-023992 3990 H12 SLES 1 16.8699 -31.9827 25.3397 HAL3 3987 0 0 0 9.000000e-023993 3991 NA SLES 1 41.4131 -38.517 34.7112 NA 0 0 0 0 1 .000000e+003994 3992 S SLES 1 38.8381 -39.9357 33.9823 SL 3993 3994 3995 3996 1.33 0000e+003995 3993 OS1 SLES 1 38.6146 -38.5295 33.6056 OSL 3992 3997 0 0 - 2.800000e-013996 3994 OS2 SLES 1 39.131 -39.5534 35.3457 O2L 3992 0 0 0 - 6.500000e-013997 3995 OS3 SLES 1 39.9863 -40.0181 33.1092 O2L 3992 0 0 0 - 6.500000e-013998 3996 OS4 SLES 1 37.6306 -40.6469 33.6695 O2L 3992 0 0 0 - 6.500000e-013999 3997 C2 SLES 1 37.5014 -37.9787 33.0237 CC32A 3993 3998 3999 4000 - 1.100000e-014000 3998 H2A SLES 1 36.6008 -38.1176 33.6783 HCA2 3997 0 0 0 9.000000e-024001 3999 H2B SLES 1 37.3104 -38.4321 32.015 HCA2 3997 0 0 0 9.000000e-024002 4000 C1 SLES 1 37.8974 -36.4905 32.9138 CC32A 3997 4001 4002 4003 - 1.000000e-024003 4001 H1B SLES 1 38.117 -36.0585 33.9245 HCA2 4000 0 0 0 9.000000e-024004 4002 H1A SLES 1 38.8006 -36.3658 32.2674 HCA2 4000 0 0 0 9.000000e-024005 4003 O1 SLES 1 36.9871 -35.5954 32.3622 OC30A 4000 4004 0 0 - 3.400000e-014006 4004 C2 SLES 1 35.7297 -36.0971 31.9473 CC32A 4003 4005 4006 4007 - 1.000000e-024007 4005 H2A SLES 1 35.1852 -36.5629 32.8179 HCA2 4004 0 0 0 9.000000e-024008 4006 H2B SLES 1 35.8447 -36.8684 31.1502 HCA2 4004 0 0 0 9.000000e-024009 4007 C1 SLES 1 35.3222 -34.6053 31.6655 CC32A 4004 4008 4009 4010 - 1.000000e-024010 4008 H1B SLES 1 34.5107 -34.6813 32.4013 HCA2 4007 0 0 0 9.000000e-024011 4009 H1A SLES 1 35.2923 -35.0153 30.5916 HCA2 4007 0 0 0 9.000000e-024012 4010 O1 SLES 1 34.8007 -33.4821 31.0034 OC30A 4007 4011 0 0 - 3.400000e-014013 4011 C1 SLES 1 33.4432 -33.5199 30.5866 CTL2 4010 4012 4013 4014 - 1.800000e-014014 4012 H11 SLES 1 32.7004 -33.8769 31.3535 HAL2 4011 0 0 0 9.000000e-024015 4013 H12 SLES 1 33.3292 -34.1782 29.6888 HAL2 4011 0 0 0 9.000000e-024016 4014 C2 SLES 1 33.2488 -32.0414 30.2535 CTL2 4011 4015 4016 4017 - 1.800000e-014017 4015 H21 SLES 1 33.3 -31.3733 31.1466 HAL2 4014 0 0 0 9.000000e-024018 4016 H22 SLES 1 33.9638 -31.6687 29.48 HAL2 4014 0 0 0 9.000000e-024019 4017 C3 SLES 1 31.8825 -32.0052 29.6982 CTL2 4014 4018 4019 4020 - 1.800000e-014020 4018 H31 SLES 1 31.2256 -32.3929 30.5237 HAL2 4017 0 0 0 9.000000e-024021 4019 H32 SLES 1 31.9106 -32.7008 28.8144 HAL2 4017 0 0 0 9.000000e-024022 4020 C4 SLES 1 31.273 -30.7274 29.2201 CTL2 4017 4021 4022 4023 - 1.800000e-014023 4021 H41 SLES 1 31.204 -29.9757 30.0447 HAL2 4020 0 0 0 9.000000e-024024 4022 H42 SLES 1 31.8689 -30.277 28.392 HAL2 4020 0 0 0 9.000000e-024025 4023 C5 SLES 1 29.9157 -31.2898 28.7767 CTL2 4020 4024 4025 4026 - 1.800000e-014026 4024 H51 SLES 1 29.3988 -31.7938 29.6363 HAL2 4023 0 0 0 9.000000e-024027 4025 H52 SLES 1 30.0558 -32.0901 28.0031 HAL2 4023 0 0 0 9.000000e-024028 4026 C6 SLES 1 28.9496 -30.3386 28.2154 CTL2 4023 4027 4028 4029 - 1.800000e-014029 4027 H61 SLES 1 28.018 -30.4338 28.8368 HAL2 4026 0 0 0 9.000000e-024030 4028 H62 SLES 1 28.6768 -30.7307 27.199 HAL2 4026 0 0 0 9.000000e-024031 4029 C7 SLES 1 29.3912 -28.8728 28.1265 CTL2 4026 4030 4031 4032 - 1.800000e-014032 4030 H71 SLES 1 29.5998 -28.4013 29.1159 HAL2 4029 0 0 0 9.000000e-024033 4031 H72 SLES 1 30.2665 -28.7021 27.4577 HAL2 4029 0 0 0 9.000000e-024034 4032 C8 SLES 1 28.1608 -28.2938 27.5279 CTL2 4029 4033 4034 4035 - 1.800000e-014035 4033 H81 SLES 1 27.322 -28.5232 28.2434 HAL2 4032 0 0 0 9.000000e-024036 4034 H82 SLES 1 28.0031 -28.8314 26.5498 HAL2 4032 0 0 0 9.000000e-024037 4035 C9 SLES 1 28.0798 -26.8372 27.2306 CTL2 4032 4036 4037 4038 - 1.800000e-014038 4036 H91 SLES 1 28.2045 -26.2463 28.1655 HAL2 4035 0 0 0 9.000000e-024039 4037 H92 SLES 1 28.8722 -26.5486 26.504 HAL2 4035 0 0 0 9.000000e-024040 4038 C10 SLES 1 26.6699 -26.7558 26.6489 CTL2 4035 4039 4040 4041 - 1.800000e-014041 4039 H10 SLES 1 25.9241 -27.1294 27.4015 HAL2 4038 0 0 0 9.000000e-024042 4040 H10 SLES 1 26.5872 -27.4289 25.7526 HAL2 4038 0 0 0 9.000000e-024043 4041 C11 SLES 1 26.2372 -25.3895 26.2265 CTL2 4038 4042 4043 4044 - 1.800000e-014044 4042 H11 SLES 1 26.2997 -24.7296 27.123 HAL2 4041 0 0 0 9.000000e-024045 4043 H11 SLES 1 26.9671 -25.0307 25.4643 HAL2 4041 0 0 0 9.000000e-024046 4044 C12 SLES 1 24.8134 -25.4598 25.6673 CTL3 4041 4045 4046 4047 - 2.700000e-014047 4045 H12 SLES 1 24.1343 -24.8342 26.2784 HAL3 4044 0 0 0 9.000000e-024048 4046 H12 SLES 1 24.8056 -25.1377 24.6077 HAL3 4044 0 0 0 9.000000e-024049 4047 H12 SLES 1 24.398 -26.4973 25.6883 HAL3 4044 0 0 0 9.000000e-024050 4048 NA SLES 1 50.1507 -26.5875 34.2128 NA 0 0 0 0 1 .000000e+004051 4049 S SLES 1 47.7858 -28.4796 34.1705 SL 4050 4051 4052 4053 1.33 0000e+004052 4050 OS1 SLES 1 47.2766 -27.225 33.5909 OSL 4049 4054 0 0 - 2.800000e-014053 4051 OS2 SLES 1 48.1832 -27.7929 35.3793 O2L 4049 0 0 0 - 6.500000e-014054 4052 OS3 SLES 1 48.8076 -28.5697 33.1531 O2L 4049 0 0 0 - 6.500000e-014055 4053 OS4 SLES 1 46.6885 -29.4056 34.187 O2L 4049 0 0 0 - 6.500000e-014056 4054 C2 SLES 1 46.0191 -26.9687 33.1068 CC32A 4050 4055 4056 4057 - 1.100000e-014057 4055 H2A SLES 1 45.2487 -27.1014 33.9117 HCA2 4054 0 0 0 9.000000e-024058 4056 H2B SLES 1 45.7795 -27.6383 32.2387 HCA2 4054 0 0 0 9.000000e-024059 4057 C1 SLES 1 46.1353 -25.4918 32.6723 CC32A 4054 4058 4059 4060 - 1.000000e-024060 4058 H1B SLES 1 46.4067 -24.8384 33.5416 HCA2 4057 0 0 0 9.000000e-024061 4059 H1A SLES 1 46.9117 -25.3708 31.8774 HCA2 4057 0 0 0 9.000000e-024062 4060 O1 SLES 1 45.0206 -24.8666 32.1239 OC30A 4057 4061 0 0 - 3.400000e-014063 4061 C2 SLES 1 43.8253 -25.6172 32.012 CC32A 4060 4062 4063 4064 - 1.000000e-024064 4062 H2A SLES 1 43.4869 -25.9719 33.0275 HCA2 4061 0 0 0 9.000000e-024065 4063 H2B SLES 1 43.9667 -26.5082 31.3566 HCA2 4061 0 0 0 9.000000e-024066 4064 C1 SLES 1 43.1339 -24.2871 31.539 CC32A 4061 4065 4066 4067 - 1.000000e-024067 4065 H1B SLES 1 42.4503 -24.3297 32.3971 HCA2 4064 0 0 0 9.000000e-024068 4066 H1A SLES 1 43.0357 -24.9046 30.5738 HCA2 4064 0 0 0 9.000000e-024069 4067 O1 SLES 1 42.3453 -23.407 30.7804 OC30A 4064 4068 0 0 - 3.400000e-014070 4068 C1 SLES 1 40.9721 -23.723 30.6004 CTL2 4067 4069 4070 4071 - 1.800000e-014071 4069 H11 SLES 1 40.408 -24.0217 31.5276 HAL2 4068 0 0 0 9.000000e-024072 4070 H12 SLES 1 40.8574 -24.5578 29.8638 HAL2 4068 0 0 0 9.000000e-024073 4071 C2 SLES 1 40.4844 -22.3854 30.0455 CTL2 4068 4072 4073 4074 - 1.800000e-014074 4072 H21 SLES 1 40.5355 -21.5511 30.7858 HAL2 4071 0 0 0 9.000000e-024075 4073 H22 SLES 1 41.0179 -22.0768 29.1136 HAL2 4071 0 0 0 9.000000e-024076 4074 C3 SLES 1 39.0719 -22.6589 29.7193 CTL2 4071 4075 4076 4077 - 1.800000e-014077 4075 H31 SLES 1 38.6045 -22.9631 30.6952 HAL2 4074 0 0 0 9.000000e-024078 4076 H32 SLES 1 39.1042 -23.5065 28.9803 HAL2 4074 0 0 0 9.000000e-024079 4077 C4 SLES 1 38.1946 -21.6046 29.1261 CTL2 4074 4078 4079 4080 - 1.800000e-014080 4078 H41 SLES 1 38.1051 -20.7204 29.8043 HAL2 4077 0 0 0 9.000000e-024081 4079 H42 SLES 1 38.5913 -21.2489 28.1464 HAL2 4077 0 0 0 9.000000e-024082 4080 C5 SLES 1 36.9085 -22.4343 29.0134 CTL2 4077 4081 4082 4083 - 1.800000e-014083 4081 H51 SLES 1 36.6022 -22.8242 30.0205 HAL2 4080 0 0 0 9.000000e-024084 4082 H52 SLES 1 37.0824 -23.345 28.382 HAL2 4080 0 0 0 9.000000e-024085 4083 C6 SLES 1 35.7284 -21.7647 28.4547 CTL2 4080 4084 4085 4086 - 1.800000e-014086 4084 H61 SLES 1 34.9159 -21.8661 29.2244 HAL2 4083 0 0 0 9.000000e-024087 4085 H62 SLES 1 35.3974 -22.3882 27.5812 HAL2 4083 0 0 0 9.000000e-024088 4086 C7 SLES 1 35.8957 -20.2986 28.0371 CTL2 4083 4087 4088 4089 - 1.800000e-014089 4087 H71 SLES 1 36.1469 -19.6128 28.8804 HAL2 4086 0 0 0 9.000000e-024090 4088 H72 SLES 1 36.6341 -20.1416 27.2168 HAL2 4086 0 0 0 9.000000e-024091 4089 C8 SLES 1 34.5168 -20.0352 27.5506 CTL2 4086 4090 4091 4092 - 1.800000e-014092 4090 H81 SLES 1 33.8302 -20.2345 28.4207 HAL2 4089 0 0 0 9.000000e-024093 4091 H82 SLES 1 34.3283 -20.7754 26.7218 HAL2 4089 0 0 0 9.000000e-024094 4092 C9 SLES 1 34.1483 -18.6953 27.0162 CTL2 4089 4093 4094 4095 - 1.800000e-014095 4093 H91 SLES 1 34.2899 -17.9169 27.799 HAL2 4092 0 0 0 9.000000e-024096 4094 H92 SLES 1 34.778 -18.4476 26.1323 HAL2 4092 0 0 0 9.000000e-024097 4095 C10 SLES 1 32.682 -18.9364 26.6634 CTL2 4092 4096 4097 4098 - 1.800000e-014098 4096 H10 SLES 1 32.1159 -19.2546 27.5802 HAL2 4095 0 0 0 9.000000e-024099 4097 H10 SLES 1 32.6006 -19.7808 25.926 HAL2 4095 0 0 0 9.000000e-024100 4098 C11 SLES 1 31.9694 -17.7598 26.0801 CTL2 4095 4099 4100 4101 - 1.800000e-014101 4099 H11 SLES 1 32.0333 -16.9312 26.8233 HAL2 4098 0 0 0 9.000000e-024102 4100 H11 SLES 1 32.5213 -17.4604 25.1591 HAL2 4098 0 0 0 9.000000e-024103 4101 C12 SLES 1 30.5185 -18.1455 25.7782 CTL3 4098 4102 4103 4104 - 2.700000e-014104 4102 H12 SLES 1 29.8271 -17.5143 26.3696 HAL3 4101 0 0 0 9.000000e-024105 4103 H12 SLES 1 30.3177 -18.0475 24.6935 HAL3 4101 0 0 0 9.000000e-024106 4104 H12 SLES 1 30.2942 -19.2064 26.0496 HAL3 4101 0 0 0 9.000000e-024107 4105 NA SLES 1 55.4804 -12.8863 33.7309 NA 0 0 0 0 1 .000000e+004108 4106 S SLES 1 53.4712 -15.0664 34.3511 SL 4107 4108 4109 4110 1.33 0000e+004109 4107 OS1 SLES 1 52.7168 -14.0663 33.5766 OSL 4106 4111 0 0 - 2.800000e-014110 4108 OS2 SLES 1 53.8352 -14.0714 35.3351 O2L 4106 0 0 0 - 6.500000e-014111 4109 OS3 SLES 1 54.416 -15.2339 33.271 O2L 4106 0 0 0 - 6.500000e-014112 4110 OS4 SLES 1 52.5497 -16.116 34.6842 O2L 4106 0 0 0 - 6.500000e-014113 4111 C2 SLES 1 51.402 -14.1158 33.1892 CC32A 4107 4112 4113 4114 - 1.100000e-014114 4112 H2A SLES 1 50.7262 -14.174 34.083 HCA2 4111 0 0 0 9.000000e-024115 4113 H2B SLES 1 51.2154 -14.9935 32.5151 HCA2 4111 0 0 0 9.000000e-024116 4114 C1 SLES 1 51.2356 -12.7763 32.4398 CC32A 4111 4115 4116 4117 - 1.000000e-024117 4115 H1B SLES 1 51.4563 -11.9093 33.115 HCA2 4114 0 0 0 9.000000e-024118 4116 H1A SLES 1 51.92 -12.7262 31.5576 HCA2 4114 0 0 0 9.000000e-024119 4117 O1 SLES 1 49.9943 -12.4642 31.8958 OC30A 4114 4118 0 0 - 3.400000e-014120 4118 C2 SLES 1 48.9374 -13.3888 32.0776 CC32A 4117 4119 4120 4121 - 1.000000e-024121 4119 H2A SLES 1 48.7393 -13.5489 33.176 HCA2 4118 0 0 0 9.000000e-024122 4120 H2B SLES 1 49.1784 -14.3748 31.6157 HCA2 4118 0 0 0 9.000000e-024123 4121 C1 SLES 1 47.9991 -12.3187 31.4103 CC32A 4118 4122 4123 4124 - 1.000000e-024124 4122 H1B SLES 1 47.3974 -12.2652 32.3272 HCA2 4121 0 0 0 9.000000e-024125 4123 H1A SLES 1 47.9356 -13.1474 30.6156 HCA2 4121 0 0 0 9.000000e-024126 4124 O1 SLES 1 47.0199 -11.7611 30.5723 OC30A 4121 4125 0 0 - 3.400000e-014127 4125 C1 SLES 1 45.7101 -12.3092 30.6147 CTL2 4124 4126 4127 4128 - 1.800000e-014128 4126 H11 SLES 1 45.2741 -12.4688 31.6402 HAL2 4125 0 0 0 9.000000e-024129 4127 H12 SLES 1 45.6837 -13.2974 30.09 HAL2 4125 0 0 0 9.000000e-024130 4128 C2 SLES 1 44.9647 -11.2204 29.8442 CTL2 4125 4129 4130 4131 - 1.800000e-014131 4129 H21 SLES 1 44.9289 -10.2413 30.3795 HAL2 4128 0 0 0 9.000000e-024132 4130 H22 SLES 1 45.3686 -11.0569 28.8153 HAL2 4128 0 0 0 9.000000e-024133 4131 C3 SLES 1 43.5983 -11.7667 29.7399 CTL2 4128 4132 4133 4134 - 1.800000e-014134 4132 H31 SLES 1 43.2618 -11.9062 30.8032 HAL2 4131 0 0 0 9.000000e-024135 4133 H32 SLES 1 43.7184 -12.7461 29.1994 HAL2 4131 0 0 0 9.000000e-024136 4134 C4 SLES 1 42.5148 -11.0169 29.035 CTL2 4131 4135 4136 4137 - 1.800000e-014137 4135 H41 SLES 1 42.3278 -10.0246 29.5148 HAL2 4134 0 0 0 9.000000e-024138 4136 H42 SLES 1 42.7729 -10.8392 27.9646 HAL2 4134 0 0 0 9.000000e-024139 4137 C5 SLES 1 41.382 -12.0312 29.2427 CTL2 4134 4138 4139 4140 - 1.800000e-014140 4138 H51 SLES 1 41.2206 -12.2222 30.337 HAL2 4137 0 0 0 9.000000e-024141 4139 H52 SLES 1 41.6599 -13.0258 28.8047 HAL2 4137 0 0 0 9.000000e-024142 4140 C6 SLES 1 40.0682 -11.6885 28.6863 CTL2 4137 4141 4142 4143 - 1.800000e-014143 4141 H61 SLES 1 39.3432 -11.7308 29.5439 HAL2 4140 0 0 0 9.000000e-024144 4142 H62 SLES 1 39.7836 -12.5365 28.0072 HAL2 4140 0 0 0 9.000000e-024145 4143 C7 SLES 1 39.9551 -10.348 27.9502 CTL2 4140 4144 4145 4146 - 1.800000e-014146 4144 H71 SLES 1 40.1485 -9.45865 28.5954 HAL2 4143 0 0 0 9.000000e-024147 4145 H72 SLES 1 40.5942 -10.2746 27.0397 HAL2 4143 0 0 0 9.000000e-024148 4146 C8 SLES 1 38.5195 -10.4091 27.5722 CTL2 4143 4147 4148 4149 - 1.800000e-014149 4147 H81 SLES 1 37.9422 -10.5041 28.5344 HAL2 4146 0 0 0 9.000000e-024150 4148 H82 SLES 1 38.3979 -11.3382 26.9458 HAL2 4146 0 0 0 9.000000e-024151 4149 C9 SLES 1 37.8924 -9.29576 26.808 CTL2 4146 4150 4151 4152 - 1.800000e-014152 4150 H91 SLES 1 37.9581 -8.34732 27.3867 HAL2 4149 0 0 0 9.000000e-024153 4151 H92 SLES 1 38.4047 -9.16569 25.8283 HAL2 4149 0 0 0 9.000000e-024154 4152 C10 SLES 1 36.4658 -9.82495 26.6769 CTL2 4149 4153 4154 4155 - 1.800000e-014155 4153 H10 SLES 1 36.0303 -10.0059 27.6966 HAL2 4152 0 0 0 9.000000e-024156 4154 H10 SLES 1 36.4737 -10.8177 26.1497 HAL2 4152 0 0 0 9.000000e-024157 4155 C11 SLES 1 35.5242 -8.93086 25.9375 CTL2 4152 4156 4157 4158 - 1.800000e-014158 4156 H11 SLES 1 35.5022 -7.95459 26.4756 HAL2 4155 0 0 0 9.000000e-024159 4157 H11 SLES 1 35.9486 -8.77089 24.9193 HAL2 4155 0 0 0 9.000000e-024160 4158 C12 SLES 1 34.1408 -9.58525 25.885 CTL3 4155 4159 4160 4161 - 2.700000e-014161 4159 H12 SLES 1 33.3984 -8.94521 26.4 HAL3 4158 0 0 0 9.000000e-024162 4160 H12 SLES 1 33.8472 -9.76779 24.8328 HAL3 4158 0 0 0 9.000000e-024163 4161 H12 SLES 1 34.1189 -10.5776 26.399 HAL3 4158 0 0 0 9.000000e-024164 4162 NA SLES 1 60.9298 1.64418 17.7589 NA 0 0 0 0 1 .000000e+004165 4163 S SLES 1 59.677 -0.607557 19.3508 SL 4164 4165 4166 4167 1.33 0000e+004166 4164 OS1 SLES 1 58.5471 0.0495181 18.6719 OSL 4163 4168 0 0 - 2.800000e-014167 4165 OS2 SLES 1 60.0619 0.637759 19.9766 O2L 4163 0 0 0 - 6.500000e-014168 4166 OS3 SLES 1 60.3175 -0.880562 18.0849 O2L 4163 0 0 0 - 6.500000e-014169 4167 OS4 SLES 1 59.1259 -1.67631 20.1356 O2L 4163 0 0 0 - 6.500000e-014170 4168 C2 SLES 1 57.2199 -0.293442 18.7185 CC32A 4164 4169 4170 4171 - 1.100000e-014171 4169 H2A SLES 1 56.8322 -0.239842 19.7701 HCA2 4168 0 0 0 9.000000e-024172 4170 H2B SLES 1 57.0576 -1.32482 18.3069 HCA2 4168 0 0 0 9.000000e-024173 4171 C1 SLES 1 56.5759 0.785828 17.8219 CC32A 4168 4172 4173 4174 - 1.000000e-024174 4172 H1B SLES 1 56.7728 1.81251 18.2263 HCA2 4171 0 0 0 9.000000e-024175 4173 H1A SLES 1 56.9765 0.728524 16.7801 HCA2 4171 0 0 0 9.000000e-024176 4174 O1 SLES 1 55.1982 0.763312 17.6332 OC30A 4171 4175 0 0 - 3.400000e-014177 4175 C2 SLES 1 54.453 -0.242648 18.2946 CC32A 4174 4176 4177 4178 - 1.000000e-024178 4176 H2A SLES 1 54.5902 -0.164001 19.4111 HCA2 4175 0 0 0 9.000000e-024179 4177 H2B SLES 1 54.7719 -1.26114 17.9713 HCA2 4175 0 0 0 9.000000e-024180 4178 C1 SLES 1 53.1633 0.478817 17.759 CC32A 4175 4179 4180 4181 - 1.000000e-024181 4179 H1B SLES 1 52.8271 0.65649 18.789 HCA2 4178 0 0 0 9.000000e-024182 4180 H1A SLES 1 53.0744 -0.515444 17.188 HCA2 4178 0 0 0 9.000000e-024183 4181 O1 SLES 1 51.9014 0.661847 17.1705 OC30A 4178 4182 0 0 - 3.400000e-014184 4182 C1 SLES 1 50.8001 -0.0556061 17.7093 CTL2 4181 4183 4184 4185 - 1.800000e-014185 4183 H11 SLES 1 50.6944 -0.0306716 18.8297 HAL2 4182 0 0 0 9.000000e-024186 4184 H12 SLES 1 50.8517 -1.13244 17.4088 HAL2 4182 0 0 0 9.000000e-024187 4185 C2 SLES 1 49.6606 0.688909 17.015 CTL2 4182 4186 4187 4188 - 1.800000e-014188 4186 H21 SLES 1 49.5553 1.75006 17.3459 HAL2 4185 0 0 0 9.000000e-024189 4187 H22 SLES 1 49.7343 0.661981 15.9004 HAL2 4185 0 0 0 9.000000e-024190 4188 C3 SLES 1 48.4671 -0.0705721 17.4334 CTL2 4185 4189 4190 4191 - 1.800000e-014191 4189 H31 SLES 1 48.4606 -0.00200562 18.5553 HAL2 4188 0 0 0 9.000000e-024192 4190 H32 SLES 1 48.6503 -1.1202 17.0721 HAL2 4188 0 0 0 9.000000e-024193 4191 C4 SLES 1 47.1005 0.312422 16.9657 CTL2 4188 4192 4193 4194 - 1.800000e-014194 4192 H41 SLES 1 46.8356 1.34952 17.2882 HAL2 4191 0 0 0 9.000000e-024195 4193 H42 SLES 1 47.0231 0.266707 15.854 HAL2 4191 0 0 0 9.000000e-024196 4194 C5 SLES 1 46.3102 -0.785032 17.691 CTL2 4191 4195 4196 4197 - 1.800000e-014197 4195 H51 SLES 1 46.4876 -0.731426 18.7981 HAL2 4194 0 0 0 9.000000e-024198 4196 H52 SLES 1 46.672 -1.8004 17.3804 HAL2 4194 0 0 0 9.000000e-024199 4197 C6 SLES 1 44.8543 -0.792326 17.5071 CTL2 4194 4198 4199 4200 - 1.800000e-014200 4198 H61 SLES 1 44.4075 -0.739757 18.5369 HAL2 4197 0 0 0 9.000000e-024201 4199 H62 SLES 1 44.5923 -1.81162 17.1151 HAL2 4197 0 0 0 9.000000e-024202 4200 C7 SLES 1 44.2638 0.29928 16.6065 CTL2 4197 4201 4202 4203 - 1.800000e-014203 4201 H71 SLES 1 44.4223 1.33595 16.987 HAL2 4200 0 0 0 9.000000e-024204 4202 H72 SLES 1 44.6093 0.250531 15.5477 HAL2 4200 0 0 0 9.000000e-024205 4203 C8 SLES 1 42.828 -0.0712677 16.7007 CTL2 4200 4204 4205 4206 - 1.800000e-014206 4204 H81 SLES 1 42.5588 -0.0213796 17.7931 HAL2 4203 0 0 0 9.000000e-024207 4205 H82 SLES 1 42.7505 -1.13052 16.3233 HAL2 4203 0 0 0 9.000000e-024208 4206 C9 SLES 1 41.796 0.716524 15.9719 CTL2 4203 4207 4208 4209 - 1.800000e-014209 4207 H91 SLES 1 41.8042 1.77424 16.3181 HAL2 4206 0 0 0 9.000000e-024210 4208 H92 SLES 1 41.9918 0.685989 14.8765 HAL2 4206 0 0 0 9.000000e-024211 4209 C10 SLES 1 40.5351 -0.0423176 16.3804 CTL2 4206 4210 4211 4212 - 1.800000e-014212 4210 H10 SLES 1 40.4331 -0.0391775 17.4993 HAL2 4209 0 0 0 9.000000e-024213 4211 H10 SLES 1 40.6193 -1.11881 16.0681 HAL2 4209 0 0 0 9.000000e-024214 4212 C11 SLES 1 39.2616 0.492708 15.8108 CTL2 4209 4213 4214 4215 - 1.800000e-014215 4213 H11 SLES 1 39.1706 1.55386 16.1406 HAL2 4212 0 0 0 9.000000e-024216 4214 H11 SLES 1 39.3582 0.468091 14.7006 HAL2 4212 0 0 0 9.000000e-024217 4215 C12 SLES 1 38.0892 -0.360704 16.3027 CTL3 4212 4216 4217 4218 - 2.700000e-014218 4216 H12 SLES 1 37.3878 0.261463 16.8918 HAL3 4215 0 0 0 9.000000e-024219 4217 H12 SLES 1 37.5761 -0.832578 15.4421 HAL3 4215 0 0 0 9.000000e-024220 4218 H12 SLES 1 38.419 -1.19245 16.9726 HAL3 4215 0 0 0 9.000000e-024221 4219 NA SLES 1 58.7437 16.4056 17.3925 NA 0 0 0 0 1 .000000e+004222 4220 S SLES 1 57.901 14.3847 19.4854 SL 4221 4222 4223 4224 1.33 0000e+004223 4221 OS1 SLES 1 56.6994 14.5983 18.6608 OSL 4220 4225 0 0 - 2.800000e-014224 4222 OS2 SLES 1 57.9801 15.7967 19.7864 O2L 4220 0 0 0 - 6.500000e-014225 4223 OS3 SLES 1 58.656 13.9618 18.3285 O2L 4220 0 0 0 - 6.500000e-014226 4224 OS4 SLES 1 57.5418 13.442 20.5072 O2L 4220 0 0 0 - 6.500000e-014227 4225 C2 SLES 1 55.4731 13.9968 18.7852 CC32A 4221 4226 4227 4228 - 1.100000e-014228 4226 H2A SLES 1 55.0231 14.2155 19.7894 HCA2 4225 0 0 0 9.000000e-024229 4227 H2B SLES 1 55.5543 12.8869 18.6398 HCA2 4225 0 0 0 9.000000e-024230 4228 C1 SLES 1 54.6698 14.6632 17.6475 CC32A 4225 4229 4230 4231 - 1.000000e-024231 4229 H1B SLES 1 54.6238 15.7744 17.787 HCA2 4228 0 0 0 9.000000e-024232 4230 H1A SLES 1 55.1326 14.4461 16.6536 HCA2 4228 0 0 0 9.000000e-024233 4231 O1 SLES 1 53.3405 14.2975 17.4645 OC30A 4228 4232 0 0 - 3.400000e-014234 4232 C2 SLES 1 52.7859 13.3425 18.3506 CC32A 4231 4233 4234 4235 - 1.000000e-024235 4233 H2A SLES 1 52.8393 13.7144 19.4137 HCA2 4232 0 0 0 9.000000e-024236 4234 H2B SLES 1 53.329 12.3705 18.2897 HCA2 4232 0 0 0 9.000000e-024237 4235 C1 SLES 1 51.4065 13.6166 17.6483 CC32A 4232 4236 4237 4238 - 1.000000e-024238 4236 H1B SLES 1 50.982 13.9588 18.6014 HCA2 4235 0 0 0 9.000000e-024239 4237 H1A SLES 1 51.5608 12.5196 17.3398 HCA2 4235 0 0 0 9.000000e-024240 4238 O1 SLES 1 50.1703 13.3747 17.0278 OC30A 4235 4239 0 0 - 3.400000e-014241 4239 C1 SLES 1 49.2146 12.586 17.7223 CTL2 4238 4240 4241 4242 - 1.800000e-014242 4240 H11 SLES 1 49.0419 12.8553 18.8016 HAL2 4239 0 0 0 9.000000e-024243 4241 H12 SLES 1 49.5077 11.5062 17.6969 HAL2 4239 0 0 0 9.000000e-024244 4242 C2 SLES 1 47.9861 12.8765 16.8613 CTL2 4239 4243 4244 4245 - 1.800000e-014245 4243 H21 SLES 1 47.6421 13.9371 16.9199 HAL2 4242 0 0 0 9.000000e-024246 4244 H22 SLES 1 48.1277 12.5998 15.7881 HAL2 4242 0 0 0 9.000000e-024247 4245 C3 SLES 1 46.9562 11.9991 17.4492 CTL2 4242 4246 4247 4248 - 1.800000e-014248 4246 H31 SLES 1 46.8711 12.3316 18.5195 HAL2 4245 0 0 0 9.000000e-024249 4247 H32 SLES 1 47.3756 10.9591 17.3586 HAL2 4245 0 0 0 9.000000e-024250 4248 C4 SLES 1 45.5688 11.9526 16.8959 CTL2 4245 4249 4250 4251 - 1.800000e-014251 4249 H41 SLES 1 45.0745 12.9538 16.9517 HAL2 4248 0 0 0 9.000000e-024252 4250 H42 SLES 1 45.5666 11.626 15.8296 HAL2 4248 0 0 0 9.000000e-024253 4251 C5 SLES 1 44.9856 10.9166 17.8662 CTL2 4248 4252 4253 4254 - 1.800000e-014254 4252 H51 SLES 1 45.084 11.2713 18.9266 HAL2 4251 0 0 0 9.000000e-024255 4253 H52 SLES 1 45.5693 9.95986 17.817 HAL2 4251 0 0 0 9.000000e-024256 4254 C6 SLES 1 43.5766 10.5495 17.6839 CTL2 4251 4255 4256 4257 - 1.800000e-014257 4255 H61 SLES 1 43.0703 10.7491 18.6671 HAL2 4254 0 0 0 9.000000e-024258 4256 H62 SLES 1 43.5567 9.43406 17.5542 HAL2 4254 0 0 0 9.000000e-024259 4257 C7 SLES 1 42.8231 11.2381 16.5395 CTL2 4254 4258 4259 4260 - 1.800000e-014260 4258 H71 SLES 1 42.7389 12.3447 16.6533 HAL2 4257 0 0 0 9.000000e-024261 4259 H72 SLES 1 43.2313 11.0131 15.5269 HAL2 4257 0 0 0 9.000000e-024262 4260 C8 SLES 1 41.4938 10.5984 16.7164 CTL2 4257 4261 4262 4263 - 1.800000e-014263 4261 H81 SLES 1 41.1579 10.8491 17.7616 HAL2 4260 0 0 0 9.000000e-024264 4262 H82 SLES 1 41.6617 9.48878 16.6115 HAL2 4260 0 0 0 9.000000e-024265 4263 C9 SLES 1 40.3633 10.945 15.8116 CTL2 4260 4264 4265 4266 - 1.800000e-014266 4264 H91 SLES 1 40.1299 12.0306 15.8864 HAL2 4263 0 0 0 9.000000e-024267 4265 H92 SLES 1 40.6236 10.6959 14.7584 HAL2 4263 0 0 0 9.000000e-024268 4266 C10 SLES 1 39.268 10.0512 16.3895 CTL2 4263 4267 4268 4269 - 1.800000e-014269 4267 H10 SLES 1 39.1035 10.3003 17.4726 HAL2 4266 0 0 0 9.000000e-024270 4268 H10 SLES 1 39.5935 8.97593 16.3526 HAL2 4266 0 0 0 9.000000e-024271 4269 C11 SLES 1 37.9455 10.1443 15.7004 CTL2 4266 4270 4271 4272 - 1.800000e-014272 4270 H11 SLES 1 37.6155 11.2077 15.7579 HAL2 4269 0 0 0 9.000000e-024273 4271 H11 SLES 1 38.1086 9.87572 14.6309 HAL2 4269 0 0 0 9.000000e-024274 4272 C12 SLES 1 36.9515 9.20019 16.3827 CTL3 4269 4273 4274 4275 - 2.700000e-014275 4273 H12 SLES 1 36.1028 9.77792 16.7974 HAL3 4272 0 0 0 9.000000e-024276 4274 H12 SLES 1 36.599 8.43591 15.663 HAL3 4272 0 0 0 9.000000e-024277 4275 H12 SLES 1 37.4092 8.64545 17.2384 HAL3 4272 0 0 0 9.000000e-024278 4276 NA SLES 1 53.0625 30.1273 17.1271 NA 0 0 0 0 1 .000000e+004279 4277 S SLES 1 52.4115 28.4753 19.5809 SL 4278 4279 4280 4281 1.33 0000e+004280 4278 OS1 SLES 1 51.2948 28.2295 18.6526 OSL 4277 4282 0 0 - 2.800000e-014281 4279 OS2 SLES 1 52.1675 29.8999 19.542 O2L 4277 0 0 0 - 6.500000e-014282 4280 OS3 SLES 1 53.3648 27.9904 18.6096 O2L 4277 0 0 0 - 6.500000e-014283 4281 OS4 SLES 1 52.1357 27.7222 20.772 O2L 4277 0 0 0 - 6.500000e-014284 4282 C2 SLES 1 50.2099 27.4107 18.8362 CC32A 4278 4283 4284 4285 - 1.100000e-014285 4283 H2A SLES 1 49.6122 27.7367 19.728 HCA2 4282 0 0 0 9.000000e-024286 4284 H2B SLES 1 50.5306 26.3429 18.9646 HCA2 4282 0 0 0 9.000000e-024287 4285 C1 SLES 1 49.4247 27.6159 17.5227 CC32A 4282 4286 4287 4288 - 1.000000e-024288 4286 H1B SLES 1 49.1387 28.6915 17.3907 HCA2 4285 0 0 0 9.000000e-024289 4287 H1A SLES 1 50.0333 27.2965 16.6414 HCA2 4285 0 0 0 9.000000e-024290 4288 O1 SLES 1 48.2273 26.931 17.3456 OC30A 4285 4289 0 0 - 3.400000e-014291 4289 C2 SLES 1 47.7794 26.0929 18.3952 CC32A 4288 4290 4291 4292 - 1.000000e-024292 4290 H2A SLES 1 47.6335 26.6899 19.3406 HCA2 4289 0 0 0 9.000000e-024293 4291 H2B SLES 1 48.5117 25.2778 18.6028 HCA2 4289 0 0 0 9.000000e-024294 4292 C1 SLES 1 46.4635 25.8914 17.5595 CC32A 4289 4293 4294 4295 - 1.000000e-024295 4293 H1B SLES 1 45.8715 26.3292 18.374 HCA2 4292 0 0 0 9.000000e-024296 4294 H1A SLES 1 46.8713 24.8166 17.5314 HCA2 4292 0 0 0 9.000000e-024297 4295 O1 SLES 1 45.3818 25.2496 16.9349 OC30A 4292 4296 0 0 - 3.400000e-014298 4296 C1 SLES 1 44.5323 24.4378 17.7332 CTL2 4295 4297 4298 4299 - 1.800000e-014299 4297 H11 SLES 1 44.1854 24.8904 18.7039 HAL2 4296 0 0 0 9.000000e-024300 4298 H12 SLES 1 45.0392 23.4722 17.9845 HAL2 4296 0 0 0 9.000000e-024301 4299 C2 SLES 1 43.378 24.2511 16.7495 CTL2 4296 4300 4301 4302 - 1.800000e-014302 4300 H21 SLES 1 42.8218 25.1944 16.5317 HAL2 4299 0 0 0 9.000000e-024303 4301 H22 SLES 1 43.6954 23.7859 15.7845 HAL2 4299 0 0 0 9.000000e-024304 4302 C3 SLES 1 42.4866 23.3153 17.4607 CTL2 4299 4303 4304 4305 - 1.800000e-014305 4303 H31 SLES 1 42.2131 23.8455 18.4133 HAL2 4302 0 0 0 9.000000e-024306 4304 H32 SLES 1 43.1157 22.4015 17.6477 HAL2 4302 0 0 0 9.000000e-024307 4305 C4 SLES 1 41.2106 22.84 16.8451 CTL2 4302 4306 4307 4308 - 1.800000e-014308 4306 H41 SLES 1 40.5206 23.6925 16.6288 HAL2 4305 0 0 0 9.000000e-024309 4307 H42 SLES 1 41.3976 22.2967 15.8892 HAL2 4305 0 0 0 9.000000e-024310 4308 C5 SLES 1 40.7417 21.9367 17.9937 CTL2 4305 4309 4310 4311 - 1.800000e-014311 4309 H51 SLES 1 40.6433 22.527 18.9435 HAL2 4308 0 0 0 9.000000e-024312 4310 H52 SLES 1 41.5089 21.1479 18.2116 HAL2 4308 0 0 0 9.000000e-024313 4311 C6 SLES 1 39.4669 21.2329 17.8124 CTL2 4308 4312 4313 4314 - 1.800000e-014314 4312 H61 SLES 1 38.8208 21.5236 18.6847 HAL2 4311 0 0 0 9.000000e-024315 4313 H62 SLES 1 39.6887 20.1406 17.9507 HAL2 4311 0 0 0 9.000000e-024316 4314 C7 SLES 1 38.7265 21.4689 16.4904 CTL2 4311 4315 4316 4317 - 1.800000e-014317 4315 H71 SLES 1 38.4072 22.5261 16.332 HAL2 4314 0 0 0 9.000000e-024318 4316 H72 SLES 1 39.2858 21.1258 15.5892 HAL2 4314 0 0 0 9.000000e-024319 4317 C8 SLES 1 37.5432 20.6022 16.7272 CTL2 4314 4318 4319 4320 - 1.800000e-014320 4318 H81 SLES 1 37.0453 20.9931 17.6586 HAL2 4317 0 0 0 9.000000e-024321 4319 H82 SLES 1 37.9434 19.5629 16.9004 HAL2 4317 0 0 0 9.000000e-024322 4320 C9 SLES 1 36.4778 20.4811 15.6942 CTL2 4317 4321 4322 4323 - 1.800000e-014323 4321 H91 SLES 1 36.0221 21.4764 15.4932 HAL2 4320 0 0 0 9.000000e-024324 4322 H92 SLES 1 36.9028 20.0731 14.7497 HAL2 4320 0 0 0 9.000000e-024325 4323 C10 SLES 1 35.5272 19.5129 16.3953 CTL2 4320 4324 4325 4326 - 1.800000e-014326 4324 H10 SLES 1 35.192 19.9489 17.375 HAL2 4323 0 0 0 9.000000e-024327 4325 H10 SLES 1 36.066 18.5563 16.6365 HAL2 4323 0 0 0 9.000000e-024328 4326 C11 SLES 1 34.3017 19.1551 15.619 CTL2 4323 4327 4328 4329 - 1.800000e-014329 4327 H11 SLES 1 33.7586 20.1039 15.4004 HAL2 4326 0 0 0 9.000000e-024330 4328 H11 SLES 1 34.638 18.7033 14.6571 HAL2 4326 0 0 0 9.000000e-024331 4329 C12 SLES 1 33.4479 18.1845 16.4399 CTL3 4326 4330 4331 4332 - 2.700000e-014332 4330 H12 SLES 1 32.4577 18.6337 16.6491 HAL3 4329 0 0 0 9.000000e-024333 4331 H12 SLES 1 33.3429 17.2227 15.9012 HAL3 4329 0 0 0 9.000000e-024334 4332 H12 SLES 1 33.9069 17.9466 17.431 HAL3 4329 0 0 0 9.000000e-024335 4333 NA SLES 1 44.2569 42.0285 16.9794 NA 0 0 0 0 1 .000000e+004336 4334 S SLES 1 43.5493 40.748 19.6315 SL 4335 4336 4337 4338 1.33 0000e+004337 4335 OS1 SLES 1 42.6733 40.0889 18.6479 OSL 4334 4339 0 0 - 2.800000e-014338 4336 OS2 SLES 1 43.0371 42.0479 19.2589 O2L 4334 0 0 0 - 6.500000e-014339 4337 OS3 SLES 1 44.7274 40.3243 18.9106 O2L 4334 0 0 0 - 6.500000e-014340 4338 OS4 SLES 1 43.2348 40.1823 20.9133 O2L 4334 0 0 0 - 6.500000e-014341 4339 C2 SLES 1 41.7575 39.092 18.8683 CC32A 4335 4340 4341 4342 - 1.100000e-014342 4340 H2A SLES 1 40.9675 39.4304 19.5897 HCA2 4339 0 0 0 9.000000e-024343 4341 H2B SLES 1 42.258 38.1673 19.2606 HCA2 4339 0 0 0 9.000000e-024344 4342 C1 SLES 1 41.1761 38.8695 17.4555 CC32A 4339 4343 4344 4345 - 1.000000e-024345 4343 H1B SLES 1 40.7081 39.809 17.0622 HCA2 4342 0 0 0 9.000000e-024346 4344 H1A SLES 1 41.9735 38.542 16.7441 HCA2 4342 0 0 0 9.000000e-024347 4345 O1 SLES 1 40.1848 37.9093 17.284 OC30A 4342 4346 0 0 - 3.400000e-014348 4346 C2 SLES 1 39.7446 37.1971 18.4258 CC32A 4345 4347 4348 4349 - 1.000000e-024349 4347 H2A SLES 1 39.3283 37.9074 19.1963 HCA2 4346 0 0 0 9.000000e-024350 4348 H2B SLES 1 40.5794 36.6224 18.8911 HCA2 4346 0 0 0 9.000000e-024351 4349 C1 SLES 1 38.652 36.5519 17.498 CC32A 4346 4350 4351 4352 - 1.000000e-024352 4350 H1B SLES 1 37.8582 36.9844 18.1212 HCA2 4349 0 0 0 9.000000e-024353 4351 H1A SLES 1 39.2641 35.6118 17.7508 HCA2 4349 0 0 0 9.000000e-024354 4352 O1 SLES 1 37.8382 35.5775 16.8978 OC30A 4349 4353 0 0 - 3.400000e-014355 4353 C1 SLES 1 37.0465 34.7532 17.7413 CTL2 4352 4354 4355 4356 - 1.800000e-014356 4354 H11 SLES 1 36.4606 35.2841 18.5427 HAL2 4353 0 0 0 9.000000e-024357 4355 H12 SLES 1 37.6862 33.991 18.2536 HAL2 4353 0 0 0 9.000000e-024358 4356 C2 SLES 1 36.1317 34.1319 16.6867 CTL2 4353 4357 4358 4359 - 1.800000e-014359 4357 H21 SLES 1 35.4432 34.8675 16.2056 HAL2 4356 0 0 0 9.000000e-024360 4358 H22 SLES 1 36.6907 33.5832 15.89 HAL2 4356 0 0 0 9.000000e-024361 4359 C3 SLES 1 35.3385 33.1635 17.4673 CTL2 4356 4360 4361 4362 - 1.800000e-014362 4360 H31 SLES 1 34.8111 33.7821 18.2435 HAL2 4359 0 0 0 9.000000e-024363 4361 H32 SLES 1 36.0967 32.467 17.9211 HAL2 4359 0 0 0 9.000000e-024364 4362 C4 SLES 1 34.3025 32.3056 16.8163 CTL2 4359 4363 4364 4365 - 1.800000e-014365 4363 H41 SLES 1 33.5025 32.9242 16.3397 HAL2 4362 0 0 0 9.000000e-024366 4364 H42 SLES 1 34.7495 31.6542 16.0291 HAL2 4362 0 0 0 9.000000e-024367 4365 C5 SLES 1 33.8384 31.5445 18.0655 CTL2 4362 4366 4367 4368 - 1.800000e-014368 4366 H51 SLES 1 33.4687 32.26 18.8475 HAL2 4365 0 0 0 9.000000e-024369 4367 H52 SLES 1 34.7 31.0047 18.5395 HAL2 4365 0 0 0 9.000000e-024370 4368 C6 SLES 1 32.7769 30.5477 17.8845 CTL2 4365 4369 4370 4371 - 1.800000e-014371 4369 H61 SLES 1 31.9504 30.8376 18.5886 HAL2 4368 0 0 0 9.000000e-024372 4370 H62 SLES 1 33.1851 29.5788 18.2795 HAL2 4368 0 0 0 9.000000e-024373 4371 C7 SLES 1 32.234 30.3633 16.4622 CTL2 4368 4372 4373 4374 - 1.800000e-014374 4372 H71 SLES 1 31.742 31.2727 16.0433 HAL2 4371 0 0 0 9.000000e-024375 4373 H72 SLES 1 32.9919 29.9981 15.7307 HAL2 4371 0 0 0 9.000000e-024376 4374 C8 SLES 1 31.2238 29.3079 16.7325 CTL2 4371 4375 4376 4377 - 1.800000e-014377 4375 H81 SLES 1 30.5108 29.7382 17.4905 HAL2 4374 0 0 0 9.000000e-024378 4376 H82 SLES 1 31.7881 28.4367 17.1718 HAL2 4374 0 0 0 9.000000e-024379 4377 C9 SLES 1 30.3901 28.7607 15.627 CTL2 4374 4378 4379 4380 - 1.800000e-014380 4378 H91 SLES 1 29.7856 29.572 15.1634 HAL2 4377 0 0 0 9.000000e-024381 4379 H92 SLES 1 31.0382 28.2949 14.851 HAL2 4377 0 0 0 9.000000e-024382 4380 C10 SLES 1 29.5479 27.7459 16.3975 CTL2 4377 4381 4382 4383 - 1.800000e-014383 4381 H10 SLES 1 28.9751 28.2653 17.2125 HAL2 4380 0 0 0 9.000000e-024384 4382 H10 SLES 1 30.2183 26.9979 16.9019 HAL2 4380 0 0 0 9.000000e-024385 4383 C11 SLES 1 28.5639 26.9826 15.5718 CTL2 4380 4384 4385 4386 - 1.800000e-014386 4384 H11 SLES 1 27.8871 27.7264 15.0903 HAL2 4383 0 0 0 9.000000e-024387 4385 H11 SLES 1 29.138 26.4516 14.7775 HAL2 4383 0 0 0 9.000000e-024388 4386 C12 SLES 1 27.7958 26.0096 16.4707 CTL3 4383 4387 4388 4389 - 2.700000e-014389 4387 H12 SLES 1 26.7154 26.2517 16.4561 HAL3 4386 0 0 0 9.000000e-024390 4388 H12 SLES 1 27.9747 24.9674 16.1417 HAL3 4386 0 0 0 9.000000e-024391 4389 H12 SLES 1 28.122 26.0675 17.5383 HAL3 4386 0 0 0 9.000000e-024392 4390 NA SLES 1 32.8529 51.4393 16.9586 NA 0 0 0 0 1 .000000e+004393 4391 S SLES 1 31.8821 50.4027 19.6339 SL 4392 4393 4394 4395 1.33 0000e+004394 4392 OS1 SLES 1 31.3759 49.4338 18.6469 OSL 4391 4396 0 0 - 2.800000e-014395 4393 OS2 SLES 1 31.2106 51.4883 18.9549 O2L 4391 0 0 0 - 6.500000e-014396 4394 OS3 SLES 1 33.2436 50.1656 19.2126 O2L 4391 0 0 0 - 6.500000e-014397 4395 OS4 SLES 1 31.4288 49.9591 20.9222 O2L 4391 0 0 0 - 6.500000e-014398 4396 C2 SLES 1 30.6503 48.2934 18.8796 CC32A 4392 4397 4398 4399 - 1.100000e-014399 4397 H2A SLES 1 29.6777 48.5369 19.3832 HCA2 4396 0 0 0 9.000000e-024400 4398 H2B SLES 1 31.2324 47.5694 19.5094 HCA2 4396 0 0 0 9.000000e-024401 4399 C1 SLES 1 30.4283 47.7546 17.4499 CC32A 4396 4400 4401 4402 - 1.000000e-024402 4400 H1B SLES 1 29.8747 48.5001 16.8222 HCA2 4399 0 0 0 9.000000e-024403 4401 H1A SLES 1 31.4039 47.5245 16.9555 HCA2 4399 0 0 0 9.000000e-024404 4402 O1 SLES 1 29.704 46.5791 17.2834 OC30A 4399 4403 0 0 - 3.400000e-014405 4403 C2 SLES 1 29.188 45.9467 18.4404 CC32A 4402 4404 4405 4406 - 1.000000e-024406 4404 H2A SLES 1 28.4896 46.6409 18.9898 HCA2 4403 0 0 0 9.000000e-024407 4405 H2B SLES 1 30.0059 45.6464 19.1363 HCA2 4403 0 0 0 9.000000e-024408 4406 C1 SLES 1 28.4599 44.9494 17.4677 CC32A 4403 4407 4408 4409 - 1.000000e-024409 4407 H1B SLES 1 27.4852 45.2694 17.8588 HCA2 4406 0 0 0 9.000000e-024410 4408 H1A SLES 1 29.1807 44.2172 17.9842 HCA2 4406 0 0 0 9.000000e-024411 4409 O1 SLES 1 27.9967 43.7427 16.9187 OC30A 4406 4410 0 0 - 3.400000e-014412 4410 C1 SLES 1 27.2276 42.8814 17.7461 CTL2 4409 4411 4412 4413 - 1.800000e-014413 4411 H11 SLES 1 26.3959 43.368 18.3281 HAL2 4410 0 0 0 9.000000e-024414 4412 H12 SLES 1 27.8861 42.3623 18.4873 HAL2 4410 0 0 0 9.000000e-024415 4413 C2 SLES 1 26.6913 41.9306 16.6769 CTL2 4410 4414 4415 4416 - 1.800000e-014416 4414 H21 SLES 1 25.9849 42.4173 15.9622 HAL2 4413 0 0 0 9.000000e-024417 4415 H22 SLES 1 27.4998 41.4213 16.0978 HAL2 4413 0 0 0 9.000000e-024418 4416 C3 SLES 1 25.9623 40.9215 17.4685 CTL2 4413 4417 4418 4419 - 1.800000e-014419 4417 H31 SLES 1 25.1744 41.5027 18.0207 HAL2 4416 0 0 0 9.000000e-024420 4418 H32 SLES 1 26.7333 40.4848 18.1617 HAL2 4416 0 0 0 9.000000e-024421 4419 C4 SLES 1 25.2735 39.7696 16.8115 CTL2 4416 4420 4421 4422 - 1.800000e-014422 4420 H41 SLES 1 24.4825 40.1186 16.1028 HAL2 4419 0 0 0 9.000000e-024423 4421 H42 SLES 1 25.9931 39.137 16.2407 HAL2 4419 0 0 0 9.000000e-024424 4422 C5 SLES 1 24.7222 39.0992 18.0771 CTL2 4419 4423 4424 4425 - 1.800000e-014425 4423 H51 SLES 1 24.0651 39.8104 18.6448 HAL2 4422 0 0 0 9.000000e-024426 4424 H52 SLES 1 25.5572 38.8398 18.7799 HAL2 4422 0 0 0 9.000000e-024427 4425 C6 SLES 1 23.9398 37.8711 17.8957 CTL2 4422 4426 4427 4428 - 1.800000e-014428 4426 H61 SLES 1 22.9453 38.0573 18.3848 HAL2 4425 0 0 0 9.000000e-024429 4427 H62 SLES 1 24.4415 37.0838 18.5201 HAL2 4425 0 0 0 9.000000e-024430 4428 C7 SLES 1 23.749 37.3766 16.4568 CTL2 4425 4429 4430 4431 - 1.800000e-014431 4429 H71 SLES 1 23.1836 38.0841 15.8054 HAL2 4428 0 0 0 9.000000e-024432 4430 H72 SLES 1 24.6983 37.0985 15.9426 HAL2 4428 0 0 0 9.000000e-024433 4431 C8 SLES 1 22.9344 36.1649 16.732 CTL2 4428 4432 4433 4434 - 1.800000e-014434 4432 H81 SLES 1 22.0097 36.5196 17.268 HAL2 4431 0 0 0 9.000000e-024435 4433 H82 SLES 1 23.5572 35.5135 17.4088 HAL2 4431 0 0 0 9.000000e-024436 4434 C9 SLES 1 22.4715 35.297 15.6142 CTL2 4431 4435 4436 4437 - 1.800000e-014437 4435 H91 SLES 1 21.827 35.8783 14.9175 HAL2 4434 0 0 0 9.000000e-024438 4436 H92 SLES 1 23.3448 34.8909 15.0559 HAL2 4434 0 0 0 9.000000e-024439 4437 C10 SLES 1 21.7068 34.2308 16.3958 CTL2 4434 4438 4439 4440 - 1.800000e-014440 4438 H10 SLES 1 20.8871 34.7111 16.9954 HAL2 4437 0 0 0 9.000000e-024441 4439 H10 SLES 1 22.3936 33.7312 17.1322 HAL2 4437 0 0 0 9.000000e-024442 4440 C11 SLES 1 21.0852 33.1582 15.5617 CTL2 4437 4441 4442 4443 - 1.800000e-014443 4441 H11 SLES 1 20.3885 33.6554 14.8473 HAL2 4440 0 0 0 9.000000e-024444 4442 H11 SLES 1 21.9041 32.6698 14.9845 HAL2 4440 0 0 0 9.000000e-024445 4443 C12 SLES 1 20.3567 32.1665 16.4732 CTL3 4440 4444 4445 4446 - 2.700000e-014446 4444 H12 SLES 1 19.2764 32.1511 16.2306 HAL3 4443 0 0 0 9.000000e-024447 4445 H12 SLES 1 20.8024 31.158 16.3694 HAL3 4443 0 0 0 9.000000e-024448 4446 H12 SLES 1 20.4379 32.4416 17.5535 HAL3 4443 0 0 0 9.000000e-024449 4447 NA SLES 1 19.5057 57.8235 17.0662 NA 0 0 0 0 1 .000000e+004450 4448 S SLES 1 18.1669 56.8124 19.588 SL 4449 4450 4451 4452 1.33 0000e+004451 4449 OS1 SLES 1 18.1107 55.6786 18.6496 OSL 4448 4453 0 0 - 2.800000e-014452 4450 OS2 SLES 1 17.4678 57.661 18.649 O2L 4448 0 0 0 - 6.500000e-014453 4451 OS3 SLES 1 19.6081 56.855 19.4966 O2L 4448 0 0 0 - 6.500000e-014454 4452 OS4 SLES 1 17.5246 56.3828 20.7983 O2L 4448 0 0 0 - 6.500000e-014455 4453 C2 SLES 1 17.5958 54.4265 18.8693 CC32A 4449 4454 4455 4456 - 1.100000e-014456 4454 H2A SLES 1 16.504 54.4843 19.1214 HCA2 4453 0 0 0 9.000000e-024457 4455 H2B SLES 1 18.1484 53.905 19.6952 HCA2 4453 0 0 0 9.000000e-024458 4456 C1 SLES 1 17.8266 53.7389 17.5064 CC32A 4453 4457 4458 4459 - 1.000000e-024459 4457 H1B SLES 1 17.2962 54.2878 16.6857 HCA2 4456 0 0 0 9.000000e-024460 4458 H1A SLES 1 18.9163 53.6956 17.2621 HCA2 4456 0 0 0 9.000000e-024461 4459 O1 SLES 1 17.413 52.421 17.3439 OC30A 4456 4460 0 0 - 3.400000e-014462 4460 C2 SLES 1 16.7796 51.7834 18.438 CC32A 4459 4461 4462 4463 - 1.000000e-024463 4461 H2A SLES 1 15.8473 52.3441 18.7343 HCA2 4460 0 0 0 9.000000e-024464 4462 H2B SLES 1 17.4559 51.7317 19.3232 HCA2 4460 0 0 0 9.000000e-024465 4463 C1 SLES 1 16.5147 50.5731 17.4706 CC32A 4460 4464 4465 4466 - 1.000000e-024466 4464 H1B SLES 1 15.4317 50.6957 17.6034 HCA2 4463 0 0 0 9.000000e-024467 4465 H1A SLES 1 17.2273 50.0658 18.217 HCA2 4463 0 0 0 9.000000e-024468 4466 O1 SLES 1 16.4451 49.2532 16.9964 OC30A 4463 4467 0 0 - 3.400000e-014469 4467 C1 SLES 1 15.6938 48.3099 17.7472 CTL2 4466 4468 4469 4470 - 1.800000e-014470 4468 H11 SLES 1 14.6688 48.6417 18.0737 HAL2 4467 0 0 0 9.000000e-024471 4469 H12 SLES 1 16.2519 48.0134 18.6708 HAL2 4467 0 0 0 9.000000e-024472 4470 C2 SLES 1 15.6245 47.1803 16.7206 CTL2 4467 4471 4472 4473 - 1.800000e-014473 4471 H21 SLES 1 15.0211 47.4365 15.8167 HAL2 4470 0 0 0 9.000000e-024474 4472 H22 SLES 1 16.6312 46.8214 16.395 HAL2 4470 0 0 0 9.000000e-024475 4473 C3 SLES 1 14.9495 46.0997 17.4642 CTL2 4470 4474 4475 4476 - 1.800000e-014476 4474 H31 SLES 1 13.9541 46.5307 17.7589 HAL2 4473 0 0 0 9.000000e-024477 4475 H32 SLES 1 15.6093 45.9047 18.3544 HAL2 4473 0 0 0 9.000000e-024478 4476 C4 SLES 1 14.6794 44.7734 16.8309 CTL2 4473 4477 4478 4479 - 1.800000e-014479 4477 H41 SLES 1 14.0219 44.8775 15.9327 HAL2 4476 0 0 0 9.000000e-024480 4478 H42 SLES 1 15.6245 44.2754 16.5104 HAL2 4476 0 0 0 9.000000e-024481 4479 C5 SLES 1 13.9948 44.0996 18.0277 CTL2 4476 4480 4481 4482 - 1.800000e-014482 4480 H51 SLES 1 13.094 44.6878 18.3481 HAL2 4479 0 0 0 9.000000e-024483 4481 H52 SLES 1 14.6775 44.0921 18.9178 HAL2 4479 0 0 0 9.000000e-024484 4482 C6 SLES 1 13.5401 42.7164 17.8454 CTL2 4479 4483 4484 4485 - 1.800000e-014485 4483 H61 SLES 1 12.4424 42.7124 18.0862 HAL2 4482 0 0 0 9.000000e-024486 4484 H62 SLES 1 14.0303 42.1149 18.6573 HAL2 4482 0 0 0 9.000000e-024487 4485 C7 SLES 1 13.7938 42.0781 16.4744 CTL2 4482 4486 4487 4488 - 1.800000e-014488 4486 H71 SLES 1 13.2654 42.5856 15.6331 HAL2 4485 0 0 0 9.000000e-024489 4487 H72 SLES 1 14.8728 41.9806 16.2116 HAL2 4485 0 0 0 9.000000e-024490 4488 C8 SLES 1 13.1986 40.7401 16.7256 CTL2 4485 4489 4490 4491 - 1.800000e-014491 4489 H81 SLES 1 12.1225 40.9192 17.0049 HAL2 4488 0 0 0 9.000000e-024492 4490 H82 SLES 1 13.7645 40.302 17.5964 HAL2 4488 0 0 0 9.000000e-024493 4491 C9 SLES 1 13.1938 39.7037 15.6567 CTL2 4488 4492 4493 4494 - 1.800000e-014494 4492 H91 SLES 1 12.6261 40.0672 14.7711 HAL2 4491 0 0 0 9.000000e-024495 4493 H92 SLES 1 14.2365 39.4613 15.3516 HAL2 4491 0 0 0 9.000000e-024496 4494 C10 SLES 1 12.4987 38.5587 16.3905 CTL2 4491 4495 4496 4497 - 1.800000e-014497 4495 H10 SLES 1 11.4823 38.8885 16.7374 HAL2 4494 0 0 0 9.000000e-024498 4496 H10 SLES 1 13.0809 38.2871 17.3129 HAL2 4494 0 0 0 9.000000e-024499 4497 C11 SLES 1 12.3178 37.3105 15.5894 CTL2 4494 4498 4499 4500 - 1.800000e-014500 4498 H11 SLES 1 11.7215 37.5791 14.6865 HAL2 4497 0 0 0 9.000000e-024501 4499 H11 SLES 1 13.3299 36.9744 15.2651 HAL2 4497 0 0 0 9.000000e-024502 4500 C12 SLES 1 11.6119 36.2564 16.4471 CTL3 4497 4501 4502 4503 - 2.700000e-014503 4501 H12 SLES 1 10.6439 35.9788 15.9867 HAL3 4500 0 0 0 9.000000e-024504 4502 H12 SLES 1 12.2632 35.3692 16.5701 HAL3 4500 0 0 0 9.000000e-024505 4503 H12 SLES 1 11.3818 36.6283 17.4758 HAL3 4500 0 0 0 9.000000e-024506 4504 NA SLES 1 4.97357 60.7985 17.2952 NA 0 0 0 0 1 .000000e+004507 4505 S SLES 1 3.29597 59.5683 19.4967 SL 4506 4507 4508 4509 1.33 0000e+004508 4506 OS1 SLES 1 3.70875 58.4316 18.656 OSL 4505 4510 0 0 - 2.800000e-014509 4507 OS2 SLES 1 2.68872 60.2247 18.3605 O2L 4505 0 0 0 - 6.500000e-014510 4508 OS3 SLES 1 4.67418 59.9237 19.7448 O2L 4505 0 0 0 - 6.500000e-014511 4509 OS4 SLES 1 2.47946 59.0322 20.5492 O2L 4505 0 0 0 - 6.500000e-014512 4510 C2 SLES 1 3.42718 57.1017 18.8381 CC32A 4506 4511 4512 4513 - 1.100000e-014513 4511 H2A SLES 1 2.31947 56.9239 18.8209 HCA2 4510 0 0 0 9.000000e-024514 4512 H2B SLES 1 3.85567 56.7301 19.8065 HCA2 4510 0 0 0 9.000000e-024515 4513 C1 SLES 1 4.12346 56.4547 17.6214 CC32A 4510 4514 4515 4516 - 1.000000e-024516 4514 H1B SLES 1 3.70908 56.8581 16.6613 HCA2 4513 0 0 0 9.000000e-024517 4515 H1A SLES 1 5.22435 56.6464 17.6447 HCA2 4513 0 0 0 9.000000e-024518 4516 O1 SLES 1 4.04543 55.0754 17.4618 OC30A 4513 4517 0 0 - 3.400000e-014519 4517 C2 SLES 1 3.30911 54.3361 18.4189 CC32A 4516 4518 4519 4520 - 1.000000e-024520 4518 H2A SLES 1 2.23712 54.6848 18.4456 HCA2 4517 0 0 0 9.000000e-024521 4519 H2B SLES 1 3.74259 54.451 19.4399 HCA2 4517 0 0 0 9.000000e-024522 4520 C1 SLES 1 3.54736 53.0785 17.5064 CC32A 4517 4521 4522 4523 - 1.000000e-024523 4521 H1B SLES 1 2.46382 52.9636 17.3709 HCA2 4520 0 0 0 9.000000e-024524 4522 H1A SLES 1 4.14393 52.7542 18.4344 HCA2 4520 0 0 0 9.000000e-024525 4523 O1 SLES 1 3.87201 51.7663 17.1259 OC30A 4520 4524 0 0 - 3.400000e-014526 4524 C1 SLES 1 3.17193 50.6963 17.7447 CTL2 4523 4525 4526 4527 - 1.800000e-014527 4525 H11 SLES 1 2.05232 50.802 17.7954 HAL2 4524 0 0 0 9.000000e-024528 4526 H12 SLES 1 3.53489 50.5473 18.7928 HAL2 4524 0 0 0 9.000000e-024529 4527 C2 SLES 1 3.59315 49.559 16.8151 CTL2 4524 4528 4529 4530 - 1.800000e-014530 4528 H21 SLES 1 3.19086 49.6593 15.7784 HAL2 4527 0 0 0 9.000000e-024531 4529 H22 SLES 1 4.70091 49.4231 16.7629 HAL2 4527 0 0 0 9.000000e-024532 4530 C3 SLES 1 2.9956 48.3716 17.4548 CTL2 4527 4531 4532 4533 - 1.800000e-014533 4531 H31 SLES 1 1.89126 48.58 17.4745 HAL2 4530 0 0 0 9.000000e-024534 4532 H32 SLES 1 3.44192 48.3433 18.4871 HAL2 4530 0 0 0 9.000000e-024535 4533 C4 SLES 1 3.17091 47.0063 16.8732 CTL2 4530 4534 4535 4536 - 1.800000e-014536 4534 H41 SLES 1 2.74756 46.9463 15.8403 HAL2 4533 0 0 0 9.000000e-024537 4535 H42 SLES 1 4.2479 46.7212 16.8215 HAL2 4533 0 0 0 9.000000e-024538 4536 C5 SLES 1 2.36836 46.2225 17.9204 CTL2 4533 4537 4538 4539 - 1.800000e-014539 4537 H51 SLES 1 1.31462 46.6053 17.9761 HAL2 4536 0 0 0 9.000000e-024540 4538 H52 SLES 1 2.79748 46.382 18.9445 HAL2 4536 0 0 0 9.000000e-024541 4539 C6 SLES 1 2.26977 44.7699 17.7366 CTL2 4536 4540 4541 4542 - 1.800000e-014542 4540 H61 SLES 1 1.1721 44.5304 17.7115 HAL2 4539 0 0 0 9.000000e-024543 4541 H62 SLES 1 2.65918 44.3064 18.6825 HAL2 4539 0 0 0 9.000000e-024544 4542 C7 SLES 1 2.97957 44.176 16.5139 CTL2 4539 4543 4544 4545 - 1.800000e-014545 4543 H71 SLES 1 2.58063 44.539 15.5373 HAL2 4542 0 0 0 9.000000e-024546 4544 H72 SLES 1 4.08599 44.312 16.5207 HAL2 4542 0 0 0 9.000000e-024547 4545 C8 SLES 1 2.63201 42.7454 16.7138 CTL2 4542 4546 4547 4548 - 1.800000e-014548 4546 H81 SLES 1 1.50727 42.6899 16.7179 HAL2 4545 0 0 0 9.000000e-024549 4547 H82 SLES 1 3.04467 42.4589 17.7228 HAL2 4545 0 0 0 9.000000e-024550 4548 C9 SLES 1 3.10533 41.7123 15.7518 CTL2 4545 4549 4550 4551 - 1.800000e-014551 4549 H91 SLES 1 2.71002 41.9254 14.7334 HAL2 4548 0 0 0 9.000000e-024552 4550 H92 SLES 1 4.21796 41.6982 15.7194 HAL2 4548 0 0 0 9.000000e-024553 4551 C10 SLES 1 2.50453 40.4575 16.3819 CTL2 4548 4552 4553 4554 - 1.800000e-014554 4552 H10 SLES 1 1.3884 40.5635 16.4545 HAL2 4551 0 0 0 9.000000e-024555 4553 H10 SLES 1 2.88534 40.3381 17.4327 HAL2 4551 0 0 0 9.000000e-024556 4554 C11 SLES 1 2.78929 39.1846 15.6532 CTL2 4551 4555 4556 4557 - 1.800000e-014557 4555 H11 SLES 1 2.39089 39.2984 14.6181 HAL2 4554 0 0 0 9.000000e-024558 4556 H11 SLES 1 3.89706 39.072 15.6018 HAL2 4554 0 0 0 9.000000e-024559 4557 C12 SLES 1 2.12892 38.0185 16.3941 CTL3 4554 4558 4559 4560 - 2.700000e-014560 4558 H12 SLES 1 1.38318 37.5267 15.7399 HAL3 4557 0 0 0 9.000000e-024561 4559 H12 SLES 1 2.89953 37.298 16.7311 HAL3 4557 0 0 0 9.000000e-024562 4560 H12 SLES 1 1.58101 38.351 17.3099 HAL3 4557 0 0 0 9.000000e-024563 4561 NA SLES 1 -9.90967 60.1552 17.6314 NA 0 0 0 0 1 .000000e+004564 4562 S SLES 1 -11.7666 58.5065 19.3657 SL 4563 4564 4565 4566 1.33 0000e+004565 4563 OS1 SLES 1 -10.9273 57.5192 18.6657 OSL 4562 4567 0 0 - 2.800000e-014566 4564 OS2 SLES 1 -12.2062 59.0671 18.1075 O2L 4562 0 0 0 - 6.500000e-014567 4565 OS3 SLES 1 -10.5997 59.1343 19.9416 O2L 4562 0 0 0 - 6.500000e-014568 4566 OS4 SLES 1 -12.6792 57.766 20.1907 O2L 4562 0 0 0 - 6.500000e-014569 4567 C2 SLES 1 -10.9516 56.1533 18.7879 CC32A 4563 4568 4569 4570 - 1.100000e-014570 4568 H2A SLES 1 -11.9569 55.7463 18.5004 HCA2 4567 0 0 0 9.000000e-024571 4569 H2B SLES 1 -10.7016 55.8401 19.8363 HCA2 4567 0 0 0 9.000000e-024572 4570 C1 SLES 1 -9.85819 55.7201 17.7878 CC32A 4567 4571 4572 4573 - 1.000000e-024573 4571 H1B SLES 1 -10.1037 56.0669 16.7506 HCA2 4570 0 0 0 9.000000e-024574 4572 H1A SLES 1 -8.86379 56.1389 18.0793 HCA2 4570 0 0 0 9.000000e-024575 4573 O1 SLES 1 -9.59636 54.3634 17.6295 OC30A 4570 4574 0 0 - 3.400000e-014576 4574 C2 SLES 1 -10.3662 53.4454 18.3842 CC32A 4573 4575 4576 4577 - 1.000000e-024577 4575 H2A SLES 1 -11.4617 53.5582 18.142 HCA2 4574 0 0 0 9.000000e-024578 4576 H2B SLES 1 -10.229 53.6062 19.4791 HCA2 4574 0 0 0 9.000000e-024579 4577 C1 SLES 1 -9.64855 52.3063 17.5729 CC32A 4574 4578 4579 4580 - 1.000000e-024580 4578 H1B SLES 1 -10.6158 51.9708 17.176 HCA2 4577 0 0 0 9.000000e-024581 4579 H1A SLES 1 -9.23996 52.0765 18.623 HCA2 4577 0 0 0 9.000000e-024582 4580 O1 SLES 1 -8.96664 51.1096 17.2991 OC30A 4577 4581 0 0 - 3.400000e-014583 4581 C1 SLES 1 -9.54887 49.8907 17.7386 CTL2 4580 4582 4583 4584 - 1.800000e-014584 4582 H11 SLES 1 -10.6429 49.7551 17.5107 HAL2 4581 0 0 0 9.000000e-024585 4583 H12 SLES 1 -9.42813 49.7776 18.8454 HAL2 4581 0 0 0 9.000000e-024586 4584 C2 SLES 1 -8.67985 48.9084 16.9544 CTL2 4581 4585 4586 4587 - 1.800000e-014587 4585 H21 SLES 1 -8.83007 48.965 15.8495 HAL2 4584 0 0 0 9.000000e-024588 4586 H22 SLES 1 -7.59013 49.0119 17.1783 HAL2 4584 0 0 0 9.000000e-024589 4587 C3 SLES 1 -9.14493 47.5956 17.4408 CTL2 4584 4588 4589 4590 - 1.800000e-014590 4588 H31 SLES 1 -10.2391 47.5648 17.1855 HAL2 4587 0 0 0 9.000000e-024591 4589 H32 SLES 1 -8.9675 47.6187 18.5515 HAL2 4587 0 0 0 9.000000e-024592 4590 C4 SLES 1 -8.54399 46.3239 16.9359 CTL2 4587 4591 4592 4593 - 1.800000e-014593 4591 H41 SLES 1 -8.68055 46.2195 15.8313 HAL2 4590 0 0 0 9.000000e-024594 4592 H42 SLES 1 -7.45138 46.2753 17.1544 HAL2 4590 0 0 0 9.000000e-024595 4593 C5 SLES 1 -9.38881 45.3447 17.7621 CTL2 4590 4594 4595 4596 - 1.800000e-014596 4594 H51 SLES 1 -10.4814 45.4935 17.5521 HAL2 4593 0 0 0 9.000000e-024597 4595 H52 SLES 1 -9.26607 45.5479 18.8584 HAL2 4593 0 0 0 9.000000e-024598 4596 C6 SLES 1 -9.12481 43.9132 17.5762 CTL2 4593 4597 4598 4599 - 1.800000e-014599 4597 H61 SLES 1 -10.1054 43.4484 17.2842 HAL2 4596 0 0 0 9.000000e-024600 4598 H62 SLES 1 -8.88653 43.5029 18.5941 HAL2 4596 0 0 0 9.000000e-024601 4599 C7 SLES 1 -8.02856 43.5349 16.5729 CTL2 4596 4600 4601 4602 - 1.800000e-014602 4600 H71 SLES 1 -8.24674 43.8463 15.5241 HAL2 4599 0 0 0 9.000000e-024603 4601 H72 SLES 1 -7.01295 43.9013 16.8504 HAL2 4599 0 0 0 9.000000e-024604 4602 C8 SLES 1 -8.09798 42.056 16.6974 CTL2 4599 4603 4604 4605 - 1.800000e-014605 4603 H81 SLES 1 -9.15088 41.764 16.4249 HAL2 4602 0 0 0 9.000000e-024606 4604 H82 SLES 1 -7.89115 41.8208 17.7802 HAL2 4602 0 0 0 9.000000e-024607 4605 C9 SLES 1 -7.19422 41.1878 15.8934 CTL2 4602 4606 4607 4608 - 1.800000e-014608 4606 H91 SLES 1 -7.36656 41.3553 14.8067 HAL2 4605 0 0 0 9.000000e-024609 4607 H92 SLES 1 -6.13094 41.4106 16.1364 HAL2 4605 0 0 0 9.000000e-024610 4608 C10 SLES 1 -7.64554 39.8089 16.3704 CTL2 4605 4609 4610 4611 - 1.800000e-014611 4609 H10 SLES 1 -8.7417 39.6735 16.1647 HAL2 4608 0 0 0 9.000000e-024612 4610 H10 SLES 1 -7.51494 39.7285 17.4839 HAL2 4608 0 0 0 9.000000e-024613 4611 C11 SLES 1 -6.92519 38.6568 15.7489 CTL2 4608 4612 4613 4614 - 1.800000e-014614 4612 H11 SLES 1 -7.07505 38.7275 14.6464 HAL2 4611 0 0 0 9.000000e-024615 4613 H11 SLES 1 -5.84068 38.7832 15.9733 HAL2 4611 0 0 0 9.000000e-024616 4614 C12 SLES 1 -7.47888 37.3473 16.3177 CTL3 4611 4615 4616 4617 - 2.700000e-014617 4615 H12 SLES 1 -7.91945 36.7371 15.5055 HAL3 4614 0 0 0 9.000000e-024618 4616 H12 SLES 1 -6.67679 36.7924 16.8422 HAL3 4614 0 0 0 9.000000e-024619 4617 H12 SLES 1 -8.29118 37.5176 17.0664 HAL3 4614 0 0 0 9.000000e-024620 4618 NA SLES 1 -24.2677 55.8762 18.0535 NA 0 0 0 0 1 .000000e+004621 4619 S SLES 1 -26.0527 53.716 19.2032 SL 4620 4621 4622 4623 1.33 0000e+004622 4620 OS1 SLES 1 -24.8795 52.997 18.6779 OSL 4619 4624 0 0 - 2.800000e-014623 4621 OS2 SLES 1 -26.3115 54.2995 17.9059 O2L 4619 0 0 0 - 6.500000e-014624 4622 OS3 SLES 1 -25.2148 54.5072 20.0746 O2L 4619 0 0 0 - 6.500000e-014625 4623 OS4 SLES 1 -26.9393 52.725 19.7452 O2L 4619 0 0 0 - 6.500000e-014626 4624 C2 SLES 1 -24.6264 51.6497 18.722 CC32A 4620 4625 4626 4627 - 1.100000e-014627 4625 H2A SLES 1 -25.425 51.0773 18.1802 HCA2 4624 0 0 0 9.000000e-024628 4626 H2B SLES 1 -24.5553 51.2896 19.7825 HCA2 4624 0 0 0 9.000000e-024629 4627 C1 SLES 1 -23.2679 51.5525 17.9949 CC32A 4624 4628 4629 4630 - 1.000000e-024630 4628 H1B SLES 1 -23.3447 51.9452 16.9479 HCA2 4627 0 0 0 9.000000e-024631 4629 H1A SLES 1 -22.4832 52.1338 18.5385 HCA2 4627 0 0 0 9.000000e-024632 4630 O1 SLES 1 -22.6823 50.301 17.8367 OC30A 4627 4631 0 0 - 3.400000e-014633 4631 C2 SLES 1 -23.3782 49.1736 18.3361 CC32A 4630 4632 4633 4634 - 1.000000e-024634 4632 H2A SLES 1 -24.3881 49.0842 17.8426 HCA2 4631 0 0 0 9.000000e-024635 4633 H2B SLES 1 -23.5299 49.2472 19.4384 HCA2 4631 0 0 0 9.000000e-024636 4634 C1 SLES 1 -22.2617 48.2932 17.6659 CC32A 4631 4635 4636 4637 - 1.000000e-024637 4635 H1B SLES 1 -23.0154 47.8092 17.031 HCA2 4634 0 0 0 9.000000e-024638 4636 H1A SLES 1 -22.059 48.0465 18.7707 HCA2 4634 0 0 0 9.000000e-024639 4637 O1 SLES 1 -21.2871 47.295 17.5052 OC30A 4634 4638 0 0 - 3.400000e-014640 4638 C1 SLES 1 -21.6672 45.9447 17.7293 CTL2 4637 4639 4640 4641 - 1.800000e-014641 4639 H11 SLES 1 -22.6238 45.6124 17.2376 HAL2 4638 0 0 0 9.000000e-024642 4640 H12 SLES 1 -21.7764 45.7472 18.8254 HAL2 4638 0 0 0 9.000000e-024643 4641 C2 SLES 1 -20.4481 45.2452 17.1299 CTL2 4638 4642 4643 4644 - 1.800000e-014644 4642 H21 SLES 1 -20.3548 45.3816 16.0257 HAL2 4641 0 0 0 9.000000e-024645 4643 H22 SLES 1 -19.4876 45.5458 17.6151 HAL2 4641 0 0 0 9.000000e-024646 4644 C3 SLES 1 -20.7067 43.8227 17.423 CTL2 4641 4645 4646 4647 - 1.800000e-014647 4645 H31 SLES 1 -21.6805 43.5952 16.9099 HAL2 4644 0 0 0 9.000000e-024648 4646 H32 SLES 1 -20.7933 43.7689 18.5435 HAL2 4644 0 0 0 9.000000e-024649 4647 C4 SLES 1 -19.7404 42.7584 17.0151 CTL2 4644 4648 4649 4650 - 1.800000e-014650 4648 H41 SLES 1 -19.5984 42.7407 15.9063 HAL2 4647 0 0 0 9.000000e-024651 4649 H42 SLES 1 -18.7421 42.912 17.4881 HAL2 4647 0 0 0 9.000000e-024652 4650 C5 SLES 1 -20.5098 41.5487 17.5625 CTL2 4647 4651 4652 4653 - 1.800000e-014653 4651 H51 SLES 1 -21.5323 41.4917 17.1027 HAL2 4650 0 0 0 9.000000e-024654 4652 H52 SLES 1 -20.6851 41.6606 18.6649 HAL2 4650 0 0 0 9.000000e-024655 4653 C6 SLES 1 -19.8993 40.2277 17.3743 CTL2 4650 4654 4655 4656 - 1.800000e-014656 4654 H61 SLES 1 -20.6606 39.6044 16.8313 HAL2 4653 0 0 0 9.000000e-024657 4655 H62 SLES 1 -19.8109 39.7737 18.3977 HAL2 4653 0 0 0 9.000000e-024658 4656 C7 SLES 1 -18.5496 40.1848 16.6477 CTL2 4653 4657 4658 4659 - 1.800000e-014659 4657 H71 SLES 1 -18.59 40.5496 15.5942 HAL2 4656 0 0 0 9.000000e-024660 4658 H72 SLES 1 -17.73 40.7208 17.1802 HAL2 4656 0 0 0 9.000000e-024661 4659 C8 SLES 1 -18.3146 38.718 16.6773 CTL2 4656 4660 4661 4662 - 1.800000e-014662 4660 H81 SLES 1 -19.1873 38.2463 16.1443 HAL2 4659 0 0 0 9.000000e-024663 4661 H82 SLES 1 -18.3096 38.4216 17.7648 HAL2 4659 0 0 0 9.000000e-024664 4662 C9 SLES 1 -17.0835 38.1387 16.0728 CTL2 4659 4663 4664 4665 - 1.800000e-014665 4663 H91 SLES 1 -17.0399 38.3767 14.9865 HAL2 4662 0 0 0 9.000000e-024666 4664 H92 SLES 1 -16.1789 38.5481 16.5761 HAL2 4662 0 0 0 9.000000e-024667 4665 C10 SLES 1 -17.3123 36.6556 16.3569 CTL2 4662 4666 4667 4668 - 1.800000e-014668 4666 H10 SLES 1 -18.2758 36.3208 15.886 HAL2 4665 0 0 0 9.000000e-024669 4667 H10 SLES 1 -17.4208 36.4912 17.4635 HAL2 4665 0 0 0 9.000000e-024670 4668 C11 SLES 1 -16.233 35.7439 15.8706 CTL2 4665 4669 4670 4671 - 1.800000e-014671 4669 H11 SLES 1 -16.143 35.8939 14.7695 HAL2 4668 0 0 0 9.000000e-024672 4670 H11 SLES 1 -15.2826 36.0657 16.3563 HAL2 4668 0 0 0 9.000000e-024673 4671 C12 SLES 1 -16.5949 34.2982 16.2224 CTL3 4668 4672 4673 4674 - 2.700000e-014674 4672 H12 SLES 1 -16.6946 33.6964 15.2983 HAL3 4671 0 0 0 9.000000e-024675 4673 H12 SLES 1 -15.8286 33.8686 16.8966 HAL3 4671 0 0 0 9.000000e-024676 4674 H12 SLES 1 -17.5718 34.2223 16.7605 HAL3 4671 0 0 0 9.000000e-024677 4675 NA SLES 1 -37.2222 48.1514 18.5352 NA 0 0 0 0 1 .000000e+004678 4676 S SLES 1 -38.6566 45.528 19.0195 SL 4677 4678 4679 4680 1.33 0000e+004679 4677 OS1 SLES 1 -37.2721 45.1469 18.692 OSL 4676 4681 0 0 - 2.800000e-014680 4678 OS2 SLES 1 -38.7864 46.241 17.7683 O2L 4676 0 0 0 - 6.500000e-014681 4679 OS3 SLES 1 -38.2043 46.3265 20.1354 O2L 4676 0 0 0 - 6.500000e-014682 4680 OS4 SLES 1 -39.3822 44.3088 19.2408 O2L 4676 0 0 0 - 6.500000e-014683 4681 C2 SLES 1 -36.7328 43.8867 18.6443 CC32A 4677 4682 4683 4684 - 1.100000e-014684 4682 H2A SLES 1 -37.2607 43.2571 17.8803 HCA2 4681 0 0 0 9.000000e-024685 4683 H2B SLES 1 -36.7874 43.389 19.6487 HCA2 4681 0 0 0 9.000000e-024686 4684 C1 SLES 1 -35.2739 44.1754 18.2299 CC32A 4681 4685 4686 4687 - 1.000000e-024687 4685 H1B SLES 1 -35.2348 44.7014 17.2408 HCA2 4684 0 0 0 9.000000e-024688 4686 H1A SLES 1 -34.7616 44.8106 18.9936 HCA2 4684 0 0 0 9.000000e-024689 4687 O1 SLES 1 -34.4 43.1054 18.0702 OC30A 4684 4688 0 0 - 3.400000e-014690 4688 C2 SLES 1 -34.9043 41.7986 18.2776 CC32A 4687 4689 4690 4691 - 1.000000e-024691 4689 H2A SLES 1 -35.753 41.5869 17.5661 HCA2 4688 0 0 0 9.000000e-024692 4690 H2B SLES 1 -35.2781 41.6699 19.3203 HCA2 4688 0 0 0 9.000000e-024693 4691 C1 SLES 1 -33.5093 41.2724 17.7797 CC32A 4688 4692 4693 4694 - 1.000000e-024694 4692 H1B SLES 1 -33.9966 40.7515 16.9448 HCA2 4691 0 0 0 9.000000e-024695 4693 H1A SLES 1 -33.4725 40.9039 18.8683 HCA2 4691 0 0 0 9.000000e-024696 4694 O1 SLES 1 -32.3212 40.5254 17.7311 OC30A 4691 4695 0 0 - 3.400000e-014697 4695 C1 SLES 1 -32.4204 39.1084 17.7175 CTL2 4694 4696 4697 4698 - 1.800000e-014698 4696 H11 SLES 1 -33.1633 38.6718 16.9931 HAL2 4695 0 0 0 9.000000e-024699 4697 H12 SLES 1 -32.6908 38.7266 18.7341 HAL2 4695 0 0 0 9.000000e-024700 4698 C2 SLES 1 -30.9822 38.7667 17.3304 CTL2 4695 4699 4700 4701 - 1.800000e-014701 4699 H21 SLES 1 -30.7114 39.0874 16.2958 HAL2 4698 0 0 0 9.000000e-024702 4700 H22 SLES 1 -30.2271 39.1743 18.046 HAL2 4698 0 0 0 9.000000e-024703 4701 C3 SLES 1 -30.9623 37.2934 17.4027 CTL2 4698 4702 4703 4704 - 1.800000e-014704 4702 H31 SLES 1 -31.7414 36.9581 16.6651 HAL2 4701 0 0 0 9.000000e-024705 4703 H32 SLES 1 -31.2484 37.0515 18.4635 HAL2 4701 0 0 0 9.000000e-024706 4704 C4 SLES 1 -29.7194 36.5188 17.1056 CTL2 4701 4705 4706 4707 - 1.800000e-014707 4705 H41 SLES 1 -29.3663 36.7008 16.0606 HAL2 4704 0 0 0 9.000000e-024708 4706 H42 SLES 1 -28.8924 36.7936 17.8017 HAL2 4704 0 0 0 9.000000e-024709 4707 C5 SLES 1 -30.2844 35.1105 17.3344 CTL2 4704 4708 4709 4710 - 1.800000e-014710 4708 H51 SLES 1 -31.1589 34.9224 16.6562 HAL2 4707 0 0 0 9.000000e-024711 4709 H52 SLES 1 -30.6894 35.014 18.3761 HAL2 4707 0 0 0 9.000000e-024712 4710 C6 SLES 1 -29.3652 33.9827 17.1436 CTL2 4707 4711 4712 4713 - 1.800000e-014713 4711 H61 SLES 1 -29.8457 33.3115 16.3811 HAL2 4710 0 0 0 9.000000e-024714 4712 H62 SLES 1 -29.3747 33.4033 18.1056 HAL2 4710 0 0 0 9.000000e-024715 4713 C7 SLES 1 -27.9271 34.3221 16.7335 CTL2 4710 4714 4715 4716 - 1.800000e-014716 4714 H71 SLES 1 -27.8457 34.8294 15.7432 HAL2 4713 0 0 0 9.000000e-024717 4715 H72 SLES 1 -27.369 34.9222 17.4893 HAL2 4713 0 0 0 9.000000e-024718 4716 C8 SLES 1 -27.3751 32.9449 16.6549 CTL2 4713 4717 4718 4719 - 1.800000e-014719 4717 H81 SLES 1 -27.9984 32.3966 15.8939 HAL2 4716 0 0 0 9.000000e-024720 4718 H82 SLES 1 -27.5124 32.4916 17.6777 HAL2 4716 0 0 0 9.000000e-024721 4719 C9 SLES 1 -25.9518 32.7228 16.2786 CTL2 4716 4720 4721 4722 - 1.800000e-014722 4720 H91 SLES 1 -25.7551 33.1291 15.2613 HAL2 4719 0 0 0 9.000000e-024723 4721 H92 SLES 1 -25.2782 33.2217 17.0111 HAL2 4719 0 0 0 9.000000e-024724 4722 C10 SLES 1 -25.8879 31.1982 16.3421 CTL2 4719 4723 4724 4725 - 1.800000e-014725 4723 H10 SLES 1 -26.6409 30.7546 15.6361 HAL2 4722 0 0 0 9.000000e-024726 4724 H10 SLES 1 -26.1672 30.8469 17.3727 HAL2 4722 0 0 0 9.000000e-024727 4725 C11 SLES 1 -24.5568 30.6059 16.0108 CTL2 4722 4726 4727 4728 - 1.800000e-014728 4726 H11 SLES 1 -24.2929 30.9385 14.9798 HAL2 4725 0 0 0 9.000000e-024729 4727 H11 SLES 1 -23.8162 31.0318 16.7267 HAL2 4725 0 0 0 9.000000e-024730 4728 C12 SLES 1 -24.6415 29.0804 16.1144 CTL3 4725 4729 4730 4731 - 2.700000e-014731 4729 H12 SLES 1 -24.422 28.6205 15.1314 HAL3 4728 0 0 0 9.000000e-024732 4730 H12 SLES 1 -23.9421 28.7135 16.8908 HAL3 4728 0 0 0 9.000000e-024733 4731 H12 SLES 1 -25.6603 28.7294 16.4114 HAL3 4728 0 0 0 9.000000e-024734 4732 NA SLES 1 -47.9418 37.3855 19.046 NA 0 0 0 0 1 .000000e+004735 4733 S SLES 1 -48.7938 34.4872 18.8261 SL 4734 4735 4736 4737 1.33 0000e+004736 4734 OS1 SLES 1 -47.326 34.4598 18.707 OSL 4733 4738 0 0 - 2.800000e-014737 4735 OS2 SLES 1 -48.8962 35.3927 17.7035 O2L 4733 0 0 0 - 6.500000e-014738 4736 OS3 SLES 1 -48.7066 35.1235 20.1203 O2L 4733 0 0 0 - 6.500000e-014739 4737 OS4 SLES 1 -49.2459 33.1293 18.7092 O2L 4733 0 0 0 - 6.500000e-014740 4738 C2 SLES 1 -46.5118 33.3658 18.5599 CC32A 4734 4739 4740 4741 - 1.100000e-014741 4739 H2A SLES 1 -46.7625 32.8073 17.6196 HCA2 4738 0 0 0 9.000000e-024742 4740 H2B SLES 1 -46.5994 32.6792 19.4433 HCA2 4738 0 0 0 9.000000e-024743 4741 C1 SLES 1 -45.1127 34.0134 18.4779 CC32A 4738 4742 4743 4744 - 1.000000e-024744 4742 H1B SLES 1 -45.0488 34.7211 17.611 HCA2 4741 0 0 0 9.000000e-024745 4743 H1A SLES 1 -44.8782 34.5742 19.4158 HCA2 4741 0 0 0 9.000000e-024746 4744 O1 SLES 1 -44.0035 33.1903 18.3154 OC30A 4741 4745 0 0 - 3.400000e-014747 4745 C2 SLES 1 -44.2206 31.7949 18.2124 CC32A 4744 4746 4747 4748 - 1.000000e-024748 4746 H2A SLES 1 -44.8834 31.5639 17.3299 HCA2 4745 0 0 0 9.000000e-024749 4747 H2B SLES 1 -44.7054 31.3918 19.1322 HCA2 4745 0 0 0 9.000000e-024750 4748 C1 SLES 1 -42.6843 31.6637 17.9069 CC32A 4745 4749 4750 4751 - 1.000000e-024751 4749 H1B SLES 1 -42.9103 31.2317 16.9231 HCA2 4748 0 0 0 9.000000e-024752 4750 H1A SLES 1 -42.726 31.1026 18.9098 HCA2 4748 0 0 0 9.000000e-024753 4751 O1 SLES 1 -41.3631 31.1911 17.9628 OC30A 4748 4752 0 0 - 3.400000e-014754 4752 C1 SLES 1 -41.1325 29.8135 17.7038 CTL2 4751 4753 4754 4755 - 1.800000e-014755 4753 H11 SLES 1 -41.6401 29.3901 16.7926 HAL2 4752 0 0 0 9.000000e-024756 4754 H12 SLES 1 -41.456 29.1931 18.5772 HAL2 4752 0 0 0 9.000000e-024757 4755 C2 SLES 1 -39.6132 29.8463 17.5434 CTL2 4752 4756 4757 4758 - 1.800000e-014758 4756 H21 SLES 1 -39.2727 30.4117 16.6429 HAL2 4755 0 0 0 9.000000e-024759 4757 H22 SLES 1 -39.086 30.2461 18.4437 HAL2 4755 0 0 0 9.000000e-024760 4758 C3 SLES 1 -39.2678 28.4213 17.381 CTL2 4755 4759 4760 4761 - 1.800000e-014761 4759 H31 SLES 1 -39.8315 28.0906 16.4665 HAL2 4758 0 0 0 9.000000e-024762 4760 H32 SLES 1 -39.6451 27.9234 18.3167 HAL2 4758 0 0 0 9.000000e-024763 4761 C4 SLES 1 -37.8508 27.9821 17.2019 CTL2 4758 4762 4763 4764 - 1.800000e-014764 4762 H41 SLES 1 -37.3978 28.4326 16.2845 HAL2 4761 0 0 0 9.000000e-024765 4763 H42 SLES 1 -37.2212 28.2723 18.0755 HAL2 4761 0 0 0 9.000000e-024766 4764 C5 SLES 1 -38.1063 26.4728 17.0919 CTL2 4761 4765 4766 4767 - 1.800000e-014767 4765 H51 SLES 1 -38.8042 26.2528 16.2407 HAL2 4764 0 0 0 9.000000e-024768 4766 H52 SLES 1 -38.6283 26.0948 18.0101 HAL2 4764 0 0 0 9.000000e-024769 4767 C6 SLES 1 -36.9357 25.6094 16.8985 CTL2 4764 4768 4769 4770 - 1.800000e-014770 4768 H61 SLES 1 -37.1315 25.0201 15.9619 HAL2 4767 0 0 0 9.000000e-024771 4769 H62 SLES 1 -36.9549 24.8617 17.7362 HAL2 4767 0 0 0 9.000000e-024772 4770 C7 SLES 1 -35.5688 26.3007 16.825 CTL2 4767 4771 4772 4773 - 1.800000e-014773 4771 H71 SLES 1 -35.4598 26.9991 15.9619 HAL2 4770 0 0 0 9.000000e-024774 4772 H72 SLES 1 -35.2811 26.8384 17.7582 HAL2 4770 0 0 0 9.000000e-024775 4773 C8 SLES 1 -34.7112 25.103 16.6315 CTL2 4770 4774 4775 4776 - 1.800000e-014776 4774 H81 SLES 1 -35.0727 24.6032 15.6893 HAL2 4773 0 0 0 9.000000e-024777 4775 H82 SLES 1 -34.8911 24.439 17.5243 HAL2 4773 0 0 0 9.000000e-024778 4776 C9 SLES 1 -33.2352 25.2455 16.4979 CTL2 4773 4777 4778 4779 - 1.800000e-014779 4777 H91 SLES 1 -32.988 25.8751 15.614 HAL2 4776 0 0 0 9.000000e-024780 4778 H92 SLES 1 -32.8098 25.7135 17.414 HAL2 4776 0 0 0 9.000000e-024781 4779 C10 SLES 1 -32.8344 23.7817 16.3271 CTL2 4776 4780 4781 4782 - 1.800000e-014782 4780 H10 SLES 1 -33.3529 23.3459 15.4307 HAL2 4779 0 0 0 9.000000e-024783 4781 H10 SLES 1 -33.1756 23.186 17.2171 HAL2 4779 0 0 0 9.000000e-024784 4782 C11 SLES 1 -31.3691 23.5416 16.1604 CTL2 4779 4783 4784 4785 - 1.800000e-014785 4783 H11 SLES 1 -31.0385 24.1164 15.2641 HAL2 4782 0 0 0 9.000000e-024786 4784 H11 SLES 1 -30.8601 23.9561 17.0613 HAL2 4782 0 0 0 9.000000e-024787 4785 C12 SLES 1 -31.1172 22.0397 16.0005 CTL3 4782 4786 4787 4788 - 2.700000e-014788 4786 H12 SLES 1 -30.6551 21.8352 15.0153 HAL3 4785 0 0 0 9.000000e-024789 4787 H12 SLES 1 -30.4754 21.6728 16.8251 HAL3 4785 0 0 0 9.000000e-024790 4788 H12 SLES 1 -32.0612 21.4425 16.0411 HAL3 4785 0 0 0 9.000000e-024791 4789 NA SLES 1 -55.6989 24.1926 19.554 NA 0 0 0 0 1 .000000e+004792 4790 S SLES 1 -55.8482 21.3103 18.6351 SL 4791 4792 4793 4794 1.33 0000e+004793 4791 OS1 SLES 1 -54.4078 21.6052 18.7221 OSL 4790 4795 0 0 - 2.800000e-014794 4792 OS2 SLES 1 -56.0463 22.4083 17.7155 O2L 4790 0 0 0 - 6.500000e-014795 4793 OS3 SLES 1 -56.03 21.6393 20.0301 O2L 4790 0 0 0 - 6.500000e-014796 4794 OS4 SLES 1 -55.9681 19.9525 18.1837 O2L 4790 0 0 0 - 6.500000e-014797 4795 C2 SLES 1 -53.357 20.7593 18.474 CC32A 4791 4796 4797 4798 - 1.100000e-014798 4796 H2A SLES 1 -53.3848 20.3911 17.4145 HCA2 4795 0 0 0 9.000000e-024799 4797 H2B SLES 1 -53.37 19.8863 19.1791 HCA2 4795 0 0 0 9.000000e-024800 4798 C1 SLES 1 -52.1394 21.6752 18.7234 CC32A 4795 4799 4800 4801 - 1.000000e-024801 4799 H1B SLES 1 -52.1557 22.5598 18.0352 HCA2 4798 0 0 0 9.000000e-024802 4800 H1A SLES 1 -52.1277 22.0429 19.7788 HCA2 4798 0 0 0 9.000000e-024803 4801 O1 SLES 1 -50.8625 21.15 18.5569 OC30A 4798 4802 0 0 - 3.400000e-014804 4802 C2 SLES 1 -50.7474 19.8003 18.1446 CC32A 4801 4803 4804 4805 - 1.000000e-024805 4803 H2A SLES 1 -51.2542 19.6484 17.1489 HCA2 4802 0 0 0 9.000000e-024806 4804 H2B SLES 1 -51.2132 19.1096 18.886 HCA2 4802 0 0 0 9.000000e-024807 4805 C1 SLES 1 -49.1994 20.0525 18.0397 CC32A 4802 4806 4807 4808 - 1.000000e-024808 4806 H1B SLES 1 -49.2278 19.8197 16.967 HCA2 4805 0 0 0 9.000000e-024809 4807 H1A SLES 1 -49.2077 19.281 18.8924 HCA2 4805 0 0 0 9.000000e-024810 4808 O1 SLES 1 -47.817 19.854 18.1856 OC30A 4805 4809 0 0 - 3.400000e-014811 4809 C1 SLES 1 -47.2571 18.6464 17.6892 CTL2 4808 4810 4811 4812 - 1.800000e-014812 4810 H11 SLES 1 -47.5672 18.3489 16.6487 HAL2 4809 0 0 0 9.000000e-024813 4811 H12 SLES 1 -47.5129 17.7915 18.3645 HAL2 4809 0 0 0 9.000000e-024814 4812 C2 SLES 1 -45.7765 19.0184 17.7556 CTL2 4809 4813 4814 4815 - 1.800000e-014815 4813 H21 SLES 1 -45.4892 19.8305 17.0452 HAL2 4812 0 0 0 9.000000e-024816 4814 H22 SLES 1 -45.441 19.2999 18.7834 HAL2 4812 0 0 0 9.000000e-024817 4815 C3 SLES 1 -45.1038 17.7667 17.3594 CTL2 4812 4816 4817 4818 - 1.800000e-014818 4816 H31 SLES 1 -45.4889 17.547 16.3265 HAL2 4815 0 0 0 9.000000e-024819 4817 H32 SLES 1 -45.4453 17.0035 18.1123 HAL2 4815 0 0 0 9.000000e-024820 4818 C4 SLES 1 -43.6137 17.6726 17.2978 CTL2 4815 4819 4820 4821 - 1.800000e-014821 4819 H41 SLES 1 -43.1898 18.4016 16.5639 HAL2 4818 0 0 0 9.000000e-024822 4820 H42 SLES 1 -43.1516 17.8764 18.2922 HAL2 4818 0 0 0 9.000000e-024823 4821 C5 SLES 1 -43.5095 16.2084 16.8504 CTL2 4818 4822 4823 4824 - 1.800000e-014824 4822 H51 SLES 1 -44.0558 16.0529 15.8822 HAL2 4821 0 0 0 9.000000e-024825 4823 H52 SLES 1 -44.0168 15.5345 17.59 HAL2 4821 0 0 0 9.000000e-024826 4824 C6 SLES 1 -42.1609 15.6641 16.6545 CTL2 4821 4825 4826 4827 - 1.800000e-014827 4825 H61 SLES 1 -42.1288 15.2766 15.6001 HAL2 4824 0 0 0 9.000000e-024828 4826 H62 SLES 1 -42.0895 14.7569 17.3127 HAL2 4824 0 0 0 9.000000e-024829 4827 C7 SLES 1 -40.9853 16.6133 16.9164 CTL2 4824 4828 4829 4830 - 1.800000e-014830 4828 H71 SLES 1 -40.9561 17.4972 16.2364 HAL2 4827 0 0 0 9.000000e-024831 4829 H72 SLES 1 -40.9163 16.9707 17.9701 HAL2 4827 0 0 0 9.000000e-024832 4830 C8 SLES 1 -39.8645 15.6878 16.6085 CTL2 4827 4831 4832 4833 - 1.800000e-014833 4831 H81 SLES 1 -40.0128 15.3536 15.5434 HAL2 4830 0 0 0 9.000000e-024834 4832 H82 SLES 1 -39.9731 14.8156 17.3143 HAL2 4830 0 0 0 9.000000e-024835 4833 C9 SLES 1 -38.4532 16.1495 16.717 CTL2 4830 4834 4835 4836 - 1.800000e-014836 4834 H91 SLES 1 -38.2725 17.0002 16.0225 HAL2 4833 0 0 0 9.000000e-024837 4835 H92 SLES 1 -38.2333 16.472 17.7595 HAL2 4833 0 0 0 9.000000e-024838 4836 C10 SLES 1 -37.7173 14.8738 16.3126 CTL2 4833 4837 4838 4839 - 1.800000e-014839 4837 H10 SLES 1 -38.0365 14.5589 15.2825 HAL2 4836 0 0 0 9.000000e-024840 4838 H10 SLES 1 -37.9974 14.0351 17.0066 HAL2 4836 0 0 0 9.000000e-024841 4839 C11 SLES 1 -36.2267 14.9764 16.3102 CTL2 4836 4840 4841 4842 - 1.800000e-014842 4840 H11 SLES 1 -35.9515 15.7945 15.6044 HAL2 4839 0 0 0 9.000000e-024843 4841 H11 SLES 1 -35.9122 15.2681 17.3391 HAL2 4839 0 0 0 9.000000e-024844 4842 C12 SLES 1 -35.6274 13.6321 15.8877 CTL3 4839 4843 4844 4845 - 2.700000e-014845 4843 H12 SLES 1 -35.0399 13.7541 14.9571 HAL3 4842 0 0 0 9.000000e-024846 4844 H12 SLES 1 -35.0001 13.2231 16.7037 HAL3 4842 0 0 0 9.000000e-024847 4845 H12 SLES 1 -36.4112 12.8647 15.6728 HAL3 4842 0 0 0 9.000000e-024848 4846 NA SLES 1 -59.9289 9.37312 20.0271 NA 0 0 0 0 1 .000000e+004849 4847 S SLES 1 -59.4062 6.83529 18.4586 SL 4848 4849 4850 4851 1.33 0000e+004850 4848 OS1 SLES 1 -58.0703 7.39001 18.7362 OSL 4847 4852 0 0 - 2.800000e-014851 4849 OS2 SLES 1 -59.8095 8.05953 17.8035 O2L 4847 0 0 0 - 6.500000e-014852 4850 OS3 SLES 1 -59.7048 6.76912 19.8706 O2L 4847 0 0 0 - 6.500000e-014853 4851 OS4 SLES 1 -59.2076 5.63407 17.6973 O2L 4847 0 0 0 - 6.500000e-014854 4852 C2 SLES 1 -56.8508 6.86526 18.392 CC32A 4848 4853 4854 4855 - 1.100000e-014855 4853 H2A SLES 1 -56.7595 6.76923 17.2778 HCA2 4852 0 0 0 9.000000e-024856 4854 H2B SLES 1 -56.6954 5.86313 18.8728 HCA2 4852 0 0 0 9.000000e-024857 4855 C1 SLES 1 -55.8748 7.92292 18.9509 CC32A 4852 4856 4857 4858 - 1.000000e-024858 4856 H1B SLES 1 -56.0619 8.92583 18.4867 HCA2 4855 0 0 0 9.000000e-024859 4857 H1A SLES 1 -55.9814 8.01618 20.0596 HCA2 4855 0 0 0 9.000000e-024860 4858 O1 SLES 1 -54.5084 7.72871 18.7794 OC30A 4855 4859 0 0 - 3.400000e-014861 4859 C2 SLES 1 -54.084 6.57399 18.0785 CC32A 4858 4860 4861 4862 - 1.000000e-024862 4860 H2A SLES 1 -54.5096 6.56885 17.0344 HCA2 4859 0 0 0 9.000000e-024863 4861 H2B SLES 1 -54.4114 5.64262 18.5971 HCA2 4859 0 0 0 9.000000e-024864 4862 C1 SLES 1 -52.6271 7.15725 18.1697 CC32A 4859 4863 4864 4865 - 1.000000e-024865 4863 H1B SLES 1 -52.5659 7.19262 17.0739 HCA2 4862 0 0 0 9.000000e-024866 4864 H1A SLES 1 -52.4947 6.21629 18.8173 HCA2 4862 0 0 0 9.000000e-024867 4865 O1 SLES 1 -51.2409 7.21805 18.3855 OC30A 4862 4866 0 0 - 3.400000e-014868 4866 C1 SLES 1 -50.4113 6.31016 17.6745 CTL2 4865 4867 4868 4869 - 1.800000e-014869 4867 H11 SLES 1 -50.6116 6.21831 16.5705 HAL2 4866 0 0 0 9.000000e-024870 4868 H12 SLES 1 -50.4956 5.28245 18.1094 HAL2 4866 0 0 0 9.000000e-024871 4869 C2 SLES 1 -49.0526 6.95119 17.9534 CTL2 4866 4870 4871 4872 - 1.800000e-014872 4870 H21 SLES 1 -48.927 7.95329 17.4773 HAL2 4869 0 0 0 9.000000e-024873 4871 H22 SLES 1 -48.8236 7.03615 19.0437 HAL2 4869 0 0 0 9.000000e-024874 4872 C3 SLES 1 -48.1068 6.00015 17.3392 CTL2 4869 4873 4874 4875 - 1.800000e-014875 4873 H31 SLES 1 -48.3976 5.96483 16.254 HAL2 4872 0 0 0 9.000000e-024876 4874 H32 SLES 1 -48.2975 5.02288 17.863 HAL2 4872 0 0 0 9.000000e-024877 4875 C4 SLES 1 -46.6315 6.23281 17.3874 CTL2 4872 4876 4877 4878 - 1.800000e-014878 4876 H41 SLES 1 -46.3535 7.19003 16.8813 HAL2 4875 0 0 0 9.000000e-024879 4877 H42 SLES 1 -46.2608 6.27822 18.4383 HAL2 4875 0 0 0 9.000000e-024880 4878 C5 SLES 1 -46.1911 4.97584 16.6251 CTL2 4875 4879 4880 4881 - 1.800000e-014881 4879 H51 SLES 1 -46.6554 4.95237 15.6034 HAL2 4878 0 0 0 9.000000e-024882 4880 H52 SLES 1 -46.5627 4.05229 17.1422 HAL2 4878 0 0 0 9.000000e-024883 4881 C6 SLES 1 -44.7496 4.78548 16.4269 CTL2 4878 4882 4883 4884 - 1.800000e-014884 4882 H61 SLES 1 -44.596 4.68229 15.3185 HAL2 4881 0 0 0 9.000000e-024885 4883 H62 SLES 1 -44.5028 3.77978 16.8616 HAL2 4881 0 0 0 9.000000e-024886 4884 C7 SLES 1 -43.8224 5.86301 17.002 CTL2 4881 4885 4886 4887 - 1.800000e-014887 4885 H71 SLES 1 -43.9652 6.87268 16.5494 HAL2 4884 0 0 0 9.000000e-024888 4886 H72 SLES 1 -43.8708 5.95869 18.1116 HAL2 4884 0 0 0 9.000000e-024889 4887 C8 SLES 1 -42.5149 5.29181 16.5876 CTL2 4884 4888 4889 4890 - 1.800000e-014890 4888 H81 SLES 1 -42.5484 5.20468 15.4653 HAL2 4887 0 0 0 9.000000e-024891 4889 H82 SLES 1 -42.4529 4.27072 17.0608 HAL2 4887 0 0 0 9.000000e-024892 4890 C9 SLES 1 -41.245 5.99344 16.922 CTL2 4887 4891 4892 4893 - 1.800000e-014893 4891 H91 SLES 1 -41.2324 7.00634 16.4609 HAL2 4890 0 0 0 9.000000e-024894 4892 H92 SLES 1 -41.1383 6.08985 18.0258 HAL2 4890 0 0 0 9.000000e-024895 4893 C10 SLES 1 -40.232 5.03467 16.2998 CTL2 4890 4894 4895 4896 - 1.800000e-014896 4894 H10 SLES 1 -40.4376 4.92197 15.201 HAL2 4893 0 0 0 9.000000e-024897 4895 H10 SLES 1 -40.3441 4.01284 16.7545 HAL2 4893 0 0 0 9.000000e-024898 4896 C11 SLES 1 -38.8016 5.43934 16.4508 CTL2 4893 4897 4898 4899 - 1.800000e-014899 4897 H11 SLES 1 -38.6893 6.4435 15.9795 HAL2 4896 0 0 0 9.000000e-024900 4898 H11 SLES 1 -38.5954 5.52931 17.5425 HAL2 4896 0 0 0 9.000000e-024901 4899 C12 SLES 1 -37.906 4.39185 15.7833 CTL3 4896 4900 4901 4902 - 2.700000e-014902 4900 H12 SLES 1 -37.3278 4.85562 14.9606 HAL3 4899 0 0 0 9.000000e-024903 4901 H12 SLES 1 -37.2329 3.93426 16.5342 HAL3 4899 0 0 0 9.000000e-024904 4902 H12 SLES 1 -38.4931 3.5558 15.3297 HAL3 4899 0 0 0 9.000000e-024905 4903 NA SLES 1 -60.2845 -6.12967 20.4358 NA 0 0 0 0 1 .000000e+004906 4904 S SLES 1 -59.2748 -8.03381 18.3076 SL 4905 4906 4907 4908 1.33 0000e+004907 4905 OS1 SLES 1 -58.081 -7.29233 18.7485 OSL 4904 4909 0 0 - 2.800000e-014908 4906 OS2 SLES 1 -59.9474 -6.80143 17.962 O2L 4904 0 0 0 - 6.500000e-014909 4907 OS3 SLES 1 -59.5144 -8.50619 19.6517 O2L 4904 0 0 0 - 6.500000e-014910 4908 OS4 SLES 1 -58.8451 -8.9409 17.2807 O2L 4904 0 0 0 - 6.500000e-014911 4909 C2 SLES 1 -56.7873 -7.44413 18.319 CC32A 4905 4910 4911 4912 - 1.100000e-014912 4910 H2A SLES 1 -56.7076 -7.24236 17.2182 HCA2 4909 0 0 0 9.000000e-024913 4911 H2B SLES 1 -56.4089 -8.47659 18.5435 HCA2 4909 0 0 0 9.000000e-024914 4912 C1 SLES 1 -56.0447 -6.37273 19.1462 CC32A 4909 4913 4914 4915 - 1.000000e-024915 4913 H1B SLES 1 -56.4538 -5.35033 18.9372 HCA2 4912 0 0 0 9.000000e-024916 4914 H1A SLES 1 -56.139 -6.57903 20.2407 HCA2 4912 0 0 0 9.000000e-024917 4915 O1 SLES 1 -54.6735 -6.22294 18.9691 OC30A 4912 4916 0 0 - 3.400000e-014918 4916 C2 SLES 1 -54.0315 -7.05266 18.0182 CC32A 4915 4917 4918 4919 - 1.000000e-024919 4917 H2A SLES 1 -54.4742 -6.89237 16.9936 HCA2 4916 0 0 0 9.000000e-024920 4918 H2B SLES 1 -54.1387 -8.13044 18.2837 HCA2 4916 0 0 0 9.000000e-024921 4919 C1 SLES 1 -52.7307 -6.21269 18.2887 CC32A 4916 4920 4921 4922 - 1.000000e-024922 4920 H1B SLES 1 -52.7078 -5.89757 17.2371 HCA2 4919 0 0 0 9.000000e-024923 4921 H1A SLES 1 -52.3833 -7.2331 18.6892 HCA2 4919 0 0 0 9.000000e-024924 4922 O1 SLES 1 -51.384 -5.91243 18.5499 OC30A 4919 4923 0 0 - 3.400000e-014925 4923 C1 SLES 1 -50.3993 -6.41985 17.6607 CTL2 4922 4924 4925 4926 - 1.800000e-014926 4924 H11 SLES 1 -50.605 -6.27882 16.5629 HAL2 4923 0 0 0 9.000000e-024927 4925 H12 SLES 1 -50.2507 -7.51639 17.828 HAL2 4923 0 0 0 9.000000e-024928 4926 C2 SLES 1 -49.2015 -5.59219 18.1246 CTL2 4923 4927 4928 4929 - 1.800000e-014929 4927 H21 SLES 1 -49.3054 -4.50098 17.9123 HAL2 4926 0 0 0 9.000000e-024930 4928 H22 SLES 1 -48.9667 -5.73027 19.2082 HAL2 4926 0 0 0 9.000000e-024931 4929 C3 SLES 1 -48.0915 -6.13936 17.3217 CTL2 4926 4930 4931 4932 - 1.800000e-014932 4930 H31 SLES 1 -48.3972 -5.96878 16.2535 HAL2 4929 0 0 0 9.000000e-024933 4931 H32 SLES 1 -48.0553 -7.23267 17.5846 HAL2 4929 0 0 0 9.000000e-024934 4932 C4 SLES 1 -46.699 -5.6165 17.4651 CTL2 4929 4933 4934 4935 - 1.800000e-014935 4933 H41 SLES 1 -46.6453 -4.52785 17.2166 HAL2 4932 0 0 0 9.000000e-024936 4934 H42 SLES 1 -46.3185 -5.75209 18.5046 HAL2 4932 0 0 0 9.000000e-024937 4935 C5 SLES 1 -46.0213 -6.52446 16.43 CTL2 4932 4936 4937 4938 - 1.800000e-014938 4936 H51 SLES 1 -46.4973 -6.39524 15.4216 HAL2 4935 0 0 0 9.000000e-024939 4937 H52 SLES 1 -46.1734 -7.6039 16.6947 HAL2 4935 0 0 0 9.000000e-024940 4938 C6 SLES 1 -44.5783 -6.34849 16.23 CTL2 4935 4939 4940 4941 - 1.800000e-014941 4939 H61 SLES 1 -44.436 -6.1416 15.1346 HAL2 4938 0 0 0 9.000000e-024942 4940 H62 SLES 1 -44.1111 -7.35353 16.4114 HAL2 4938 0 0 0 9.000000e-024943 4941 C7 SLES 1 -43.8871 -5.27263 17.0763 CTL2 4938 4942 4943 4944 - 1.800000e-014944 4942 H71 SLES 1 -44.2541 -4.23727 16.8815 HAL2 4941 0 0 0 9.000000e-024945 4943 H72 SLES 1 -43.925 -5.46447 18.1738 HAL2 4941 0 0 0 9.000000e-024946 4944 C8 SLES 1 -42.4995 -5.4324 16.5698 CTL2 4941 4945 4946 4947 - 1.800000e-014947 4945 H81 SLES 1 -42.5438 -5.24686 15.46 HAL2 4944 0 0 0 9.000000e-024948 4946 H82 SLES 1 -42.2085 -6.50087 16.7798 HAL2 4944 0 0 0 9.000000e-024949 4947 C9 SLES 1 -41.3999 -4.57996 17.1 CTL2 4944 4948 4949 4950 - 1.800000e-014950 4948 H91 SLES 1 -41.616 -3.50632 16.9018 HAL2 4947 0 0 0 9.000000e-024951 4949 H92 SLES 1 -41.2866 -4.73661 18.1963 HAL2 4947 0 0 0 9.000000e-024952 4950 C10 SLES 1 -40.2228 -5.11815 16.2892 CTL2 4947 4951 4952 4953 - 1.800000e-014953 4951 H10 SLES 1 -40.4292 -4.99926 15.1913 HAL2 4950 0 0 0 9.000000e-024954 4952 H10 SLES 1 -40.1022 -6.21991 16.4764 HAL2 4950 0 0 0 9.000000e-024955 4953 C11 SLES 1 -38.9081 -4.46738 16.5732 CTL2 4950 4954 4955 4956 - 1.800000e-014956 4954 H11 SLES 1 -39.0253 -3.37823 16.3657 HAL2 4953 0 0 0 9.000000e-024957 4955 H11 SLES 1 -38.6966 -4.60592 17.6588 HAL2 4953 0 0 0 9.000000e-024958 4956 C12 SLES 1 -37.828 -5.1034 15.6936 CTL3 4953 4957 4958 4959 - 2.700000e-014959 4957 H12 SLES 1 -37.3844 -4.33983 15.0256 HAL3 4956 0 0 0 9.000000e-024960 4958 H12 SLES 1 -37.0528 -5.57668 16.3273 HAL3 4956 0 0 0 9.000000e-024961 4959 H12 SLES 1 -38.2353 -5.90813 15.0334 HAL3 4956 0 0 0 9.000000e-024962 4960 NA SLES 1 -56.6775 -21.2917 20.7542 NA 0 0 0 0 1 .000000e+004963 4961 S SLES 1 -55.4866 -22.3823 18.1916 SL 4962 4963 4964 4965 1.33 0000e+004964 4962 OS1 SLES 1 -54.4373 -21.5178 18.7582 OSL 4961 4966 0 0 - 2.800000e-014965 4963 OS2 SLES 1 -56.4259 -21.2831 18.181 O2L 4961 0 0 0 - 6.500000e-014966 4964 OS3 SLES 1 -55.5059 -23.1929 19.3873 O2L 4961 0 0 0 - 6.500000e-014967 4965 OS4 SLES 1 -54.9704 -22.9101 16.96 O2L 4961 0 0 0 - 6.500000e-014968 4966 C2 SLES 1 -53.1824 -21.2771 18.2598 CC32A 4962 4967 4968 4969 - 1.100000e-014969 4967 H2A SLES 1 -53.242 -20.8143 17.2394 HCA2 4966 0 0 0 9.000000e-024970 4968 H2B SLES 1 -52.5815 -22.2237 18.212 HCA2 4966 0 0 0 9.000000e-024971 4969 C1 SLES 1 -52.6071 -20.2887 19.297 CC32A 4966 4970 4971 4972 - 1.000000e-024972 4970 H1B SLES 1 -53.2345 -19.3619 19.3583 HCA2 4969 0 0 0 9.000000e-024973 4971 H1A SLES 1 -52.5613 -20.7576 20.3106 HCA2 4969 0 0 0 9.000000e-024974 4972 O1 SLES 1 -51.3168 -19.8032 19.114 OC30A 4969 4973 0 0 - 3.400000e-014975 4973 C2 SLES 1 -50.603 -20.2284 17.9675 CC32A 4972 4974 4975 4976 - 1.000000e-024976 4974 H2A SLES 1 -51.1566 -19.9378 17.0291 HCA2 4973 0 0 0 9.000000e-024977 4975 H2B SLES 1 -50.4625 -21.3347 17.9654 HCA2 4973 0 0 0 9.000000e-024978 4976 C1 SLES 1 -49.4844 -19.2077 18.3892 CC32A 4973 4977 4978 4979 - 1.000000e-024979 4977 H1B SLES 1 -49.6185 -18.6614 17.4462 HCA2 4976 0 0 0 9.000000e-024980 4978 H1A SLES 1 -48.9009 -20.1905 18.5162 HCA2 4976 0 0 0 9.000000e-024981 4979 O1 SLES 1 -48.2109 -18.6862 18.6687 OC30A 4976 4980 0 0 - 3.400000e-014982 4980 C1 SLES 1 -47.224 -18.7446 17.6486 CTL2 4979 4981 4982 4983 - 1.800000e-014983 4981 H11 SLES 1 -47.549 -18.403 16.6263 HAL2 4980 0 0 0 9.000000e-024984 4982 H12 SLES 1 -46.8389 -19.7895 17.5379 HAL2 4980 0 0 0 9.000000e-024985 4983 C2 SLES 1 -46.1865 -17.8029 18.2584 CTL2 4980 4984 4985 4986 - 1.800000e-014986 4984 H21 SLES 1 -46.5308 -16.7427 18.3226 HAL2 4983 0 0 0 9.000000e-024987 4985 H22 SLES 1 -45.835 -18.132 19.2666 HAL2 4983 0 0 0 9.000000e-024988 4986 C3 SLES 1 -45.0618 -17.8912 17.3079 CTL2 4983 4987 4988 4989 - 1.800000e-014989 4987 H31 SLES 1 -45.4877 -17.5505 16.3251 HAL2 4986 0 0 0 9.000000e-024990 4988 H32 SLES 1 -44.7786 -18.9799 17.2946 HAL2 4986 0 0 0 9.000000e-024991 4989 C4 SLES 1 -43.7997 -17.1214 17.5259 CTL2 4986 4990 4991 4992 - 1.800000e-014992 4990 H41 SLES 1 -43.993 -16.0206 17.549 HAL2 4989 0 0 0 9.000000e-024993 4991 H42 SLES 1 -43.3104 -17.4058 18.4869 HAL2 4989 0 0 0 9.000000e-024994 4992 C5 SLES 1 -43.0423 -17.5934 16.2774 CTL2 4989 4993 4994 4995 - 1.800000e-014995 4993 H51 SLES 1 -43.6205 -17.3433 15.3483 HAL2 4992 0 0 0 9.000000e-024996 4994 H52 SLES 1 -42.9452 -18.711 16.2758 HAL2 4992 0 0 0 9.000000e-024997 4995 C6 SLES 1 -41.6893 -17.062 16.0761 CTL2 4992 4996 4997 4998 - 1.800000e-014998 4996 H61 SLES 1 -41.6885 -16.5818 15.0601 HAL2 4995 0 0 0 9.000000e-024999 4997 H62 SLES 1 -41.0113 -17.9532 15.9903 HAL2 4995 0 0 0 9.000000e-025000 4998 C7 SLES 1 -41.1635 -16.0852 17.1349 CTL2 4995 4999 5000 5001 - 1.800000e-015001 4999 H71 SLES 1 -41.7512 -15.1401 17.2115 HAL2 4998 0 0 0 9.000000e-025002 5000 H72 SLES 1 -41.0654 -16.5286 18.1529 HAL2 4998 0 0 0 9.000000e-025003 5001 C8 SLES 1 -39.8221 -15.8135 16.5565 CTL2 4998 5002 5003 5004 - 1.800000e-015004 5002 H81 SLES 1 -40 -15.3914 15.5278 HAL2 5001 0 0 0 9.000000e-025005 5003 H82 SLES 1 -39.3002 -16.8103 16.489 HAL2 5001 0 0 0 9.000000e-025006 5004 C9 SLES 1 -38.8797 -14.8853 17.24 CTL2 5001 5005 5006 5007 - 1.800000e-015007 5005 H91 SLES 1 -39.3285 -13.8698 17.3176 HAL2 5004 0 0 0 9.000000e-025008 5006 H92 SLES 1 -38.6416 -15.2617 18.2602 HAL2 5004 0 0 0 9.000000e-025009 5007 C10 SLES 1 -37.6921 -14.9484 16.2817 CTL2 5004 5008 5009 5010 - 1.800000e-015010 5008 H10 SLES 1 -38.0132 -14.628 15.2539 HAL2 5007 0 0 0 9.000000e-025011 5009 H10 SLES 1 -37.3315 -16.0091 16.19 HAL2 5007 0 0 0 9.000000e-025012 5010 C11 SLES 1 -36.5199 -14.1071 16.6699 CTL2 5007 5011 5012 5013 - 1.800000e-015013 5011 H11 SLES 1 -36.8763 -13.0529 16.7387 HAL2 5010 0 0 0 9.000000e-025014 5012 H11 SLES 1 -36.1908 -14.4422 17.6807 HAL2 5010 0 0 0 9.000000e-025015 5013 C12 SLES 1 -35.4127 -14.2685 15.6244 CTL3 5010 5014 5015 5016 - 2.700000e-015016 5014 H12 SLES 1 -35.1955 -13.2928 15.1479 HAL3 5013 0 0 0 9.000000e-025017 5015 H12 SLES 1 -34.5046 -14.6921 16.096 HAL3 5013 0 0 0 9.000000e-025018 5016 H12 SLES 1 -35.7015 -14.9686 14.8024 HAL3 5013 0 0 0 9.000000e-025019 5017 NA SLES 1 -49.3014 -35.0849 20.9623 NA 0 0 0 0 1 .000000e+005020 5018 S SLES 1 -48.2914 -35.3373 18.118 SL 5019 5020 5021 5022 1.33 0000e+005021 5019 OS1 SLES 1 -47.3669 -34.3905 18.7647 OSL 5018 5023 0 0 - 2.800000e-015022 5020 OS2 SLES 1 -49.4236 -34.5003 18.4468 O2L 5018 0 0 0 - 6.500000e-015023 5021 OS3 SLES 1 -47.9784 -36.3555 19.0939 O2L 5018 0 0 0 - 6.500000e-015024 5022 OS4 SLES 1 -47.8597 -35.4748 16.7554 O2L 5018 0 0 0 - 6.500000e-015025 5023 C2 SLES 1 -46.2692 -33.7764 18.2179 CC32A 5019 5024 5025 5026 - 1.100000e-015026 5024 H2A SLES 1 -46.5642 -33.1429 17.34 HCA2 5023 0 0 0 9.000000e-025027 5025 H2B SLES 1 -45.5038 -34.5329 17.8992 HCA2 5023 0 0 0 9.000000e-025028 5026 C1 SLES 1 -45.7625 -32.9138 19.3938 CC32A 5023 5027 5028 5029 - 1.000000e-025029 5027 H1B SLES 1 -46.5476 -32.185 19.7235 HCA2 5026 0 0 0 9.000000e-025030 5028 H1A SLES 1 -45.4807 -33.5548 20.2649 HCA2 5026 0 0 0 9.000000e-025031 5029 O1 SLES 1 -44.6347 -32.1223 19.205 OC30A 5026 5030 0 0 - 3.400000e-015032 5030 C2 SLES 1 -44.02 -32.1344 17.9296 CC32A 5029 5031 5032 5033 - 1.000000e-025033 5031 H2A SLES 1 -44.7478 -31.7934 17.1387 HCA2 5030 0 0 0 9.000000e-025034 5032 H2B SLES 1 -43.6626 -33.1564 17.6623 HCA2 5030 0 0 0 9.000000e-025035 5033 C1 SLES 1 -43.0802 -30.9938 18.465 CC32A 5030 5034 5035 5036 - 1.000000e-025036 5034 H1B SLES 1 -43.4532 -30.3132 17.6882 HCA2 5033 0 0 0 9.000000e-025037 5035 H1A SLES 1 -42.2998 -31.8238 18.309 HCA2 5033 0 0 0 9.000000e-025038 5036 O1 SLES 1 -41.9104 -30.265 18.7342 OC30A 5033 5037 0 0 - 3.400000e-015039 5037 C1 SLES 1 -41.0865 -29.8914 17.639 CTL2 5036 5038 5039 5040 - 1.800000e-015040 5038 H11 SLES 1 -41.6147 -29.4331 16.7568 HAL2 5037 0 0 0 9.000000e-025041 5039 H12 SLES 1 -40.5196 -30.7776 17.2573 HAL2 5037 0 0 0 9.000000e-025042 5040 C2 SLES 1 -40.1829 -28.8824 18.3464 CTL2 5037 5041 5042 5043 - 1.800000e-015043 5041 H21 SLES 1 -40.7199 -27.963 18.6826 HAL2 5040 0 0 0 9.000000e-025044 5042 H22 SLES 1 -39.6334 -29.3199 19.2153 HAL2 5040 0 0 0 9.000000e-025045 5043 C3 SLES 1 -39.2095 -28.5201 17.2988 CTL2 5040 5044 5045 5046 - 1.800000e-015046 5044 H31 SLES 1 -39.8298 -28.0934 16.4642 HAL2 5043 0 0 0 9.000000e-025047 5045 H32 SLES 1 -38.7188 -29.4907 17.0111 HAL2 5043 0 0 0 9.000000e-025048 5046 C4 SLES 1 -38.1092 -27.5449 17.566 CTL2 5043 5047 5048 5049 - 1.800000e-015049 5047 H41 SLES 1 -38.5137 -26.5443 17.8574 HAL2 5046 0 0 0 9.000000e-025050 5048 H42 SLES 1 -37.4417 -27.8992 18.3863 HAL2 5046 0 0 0 9.000000e-025051 5049 C5 SLES 1 -37.4572 -27.5713 16.177 CTL2 5046 5050 5051 5052 - 1.800000e-015052 5050 H51 SLES 1 -38.1994 -27.2763 15.3882 HAL2 5049 0 0 0 9.000000e-025053 5051 H52 SLES 1 -37.1396 -28.6139 15.9117 HAL2 5049 0 0 0 9.000000e-025054 5052 C6 SLES 1 -36.2805 -26.7181 15.975 CTL2 5049 5053 5054 5055 - 1.800000e-015055 5053 H61 SLES 1 -36.5198 -26.0552 15.0997 HAL2 5052 0 0 0 9.000000e-025056 5054 H62 SLES 1 -35.4569 -27.3965 15.6247 HAL2 5052 0 0 0 9.000000e-025057 5055 C7 SLES 1 -35.8163 -25.882 17.1738 CTL2 5052 5056 5057 5058 - 1.800000e-015058 5056 H71 SLES 1 -36.5645 -25.1298 17.5189 HAL2 5055 0 0 0 9.000000e-025059 5057 H72 SLES 1 -35.4883 -26.4878 18.0502 HAL2 5055 0 0 0 9.000000e-025060 5058 C8 SLES 1 -34.6523 -25.2027 16.5484 CTL2 5055 5059 5060 5061 - 1.800000e-015061 5059 H81 SLES 1 -35.055 -24.6331 15.6644 HAL2 5058 0 0 0 9.000000e-025062 5060 H82 SLES 1 -33.9563 -26.0208 16.2066 HAL2 5058 0 0 0 9.000000e-025063 5061 C9 SLES 1 -33.8277 -24.243 17.333 CTL2 5058 5062 5063 5064 - 1.800000e-015064 5062 H91 SLES 1 -34.4552 -23.3925 17.6819 HAL2 5061 0 0 0 9.000000e-025065 5063 H92 SLES 1 -33.377 -24.7537 18.2135 HAL2 5061 0 0 0 9.000000e-025066 5064 C10 SLES 1 -32.7994 -23.8409 16.2777 CTL2 5061 5065 5066 5067 - 1.800000e-015067 5065 H10 SLES 1 -33.3205 -23.4007 15.385 HAL2 5064 0 0 0 9.000000e-025068 5066 H10 SLES 1 -32.2505 -24.7515 15.9131 HAL2 5064 0 0 0 9.000000e-025069 5067 C11 SLES 1 -31.7766 -22.8522 16.7347 CTL2 5064 5068 5069 5070 - 1.800000e-015070 5068 H11 SLES 1 -32.3234 -21.9423 17.0751 HAL2 5067 0 0 0 9.000000e-025071 5069 H11 SLES 1 -31.2472 -23.3011 17.6069 HAL2 5067 0 0 0 9.000000e-025072 5070 C12 SLES 1 -30.8189 -22.5444 15.5801 CTL3 5067 5071 5072 5073 - 2.700000e-015073 5071 H12 SLES 1 -30.8713 -21.4694 15.32 HAL3 5070 0 0 0 9.000000e-025074 5072 H12 SLES 1 -29.7869 -22.8377 15.8547 HAL3 5070 0 0 0 9.000000e-025075 5073 H12 SLES 1 -31.0751 -23.111 14.6512 HAL3 5070 0 0 0 9.000000e-025076 5074 NA SLES 1 -38.6264 -46.5604 21.0472 NA 0 0 0 0 1 .000000e+005077 5075 S SLES 1 -38.1377 -46.1159 18.0913 SL 5076 5077 5078 5079 1.33 0000e+005078 5076 OS1 SLES 1 -37.3144 -45.099 18.7676 OSL 5075 5080 0 0 - 2.800000e-015079 5077 OS2 SLES 1 -39.3311 -45.6239 18.7427 O2L 5075 0 0 0 - 6.500000e-015080 5078 OS3 SLES 1 -37.4523 -47.1785 18.79 O2L 5075 0 0 0 - 6.500000e-015081 5079 OS4 SLES 1 -37.9505 -45.9308 16.6797 O2L 5075 0 0 0 - 6.500000e-015082 5080 C2 SLES 1 -36.4822 -44.1707 18.196 CC32A 5076 5081 5082 5083 - 1.100000e-015083 5081 H2A SLES 1 -37.0559 -43.4891 17.5138 HCA2 5080 0 0 0 9.000000e-025084 5082 H2B SLES 1 -35.6559 -44.6709 17.6246 HCA2 5080 0 0 0 9.000000e-025085 5083 C1 SLES 1 -35.945 -43.415 19.4305 CC32A 5080 5084 5085 5086 - 1.000000e-025086 5084 H1B SLES 1 -36.7829 -42.9476 20.0101 HCA2 5083 0 0 0 9.000000e-025087 5085 H1A SLES 1 -35.3838 -44.1057 20.1066 HCA2 5083 0 0 0 9.000000e-025088 5086 O1 SLES 1 -35.0519 -42.3668 19.2364 OC30A 5083 5087 0 0 - 3.400000e-015089 5087 C2 SLES 1 -34.697 -42.0334 17.9068 CC32A 5086 5088 5089 5090 - 1.000000e-025090 5088 H2A SLES 1 -35.613 -41.7456 17.3155 HCA2 5087 0 0 0 9.000000e-025091 5089 H2B SLES 1 -34.201 -42.8902 17.3935 HCA2 5087 0 0 0 9.000000e-025092 5090 C1 SLES 1 -33.9182 -40.8091 18.5112 CC32A 5087 5091 5092 5093 - 1.000000e-025093 5091 H1B SLES 1 -34.5573 -40.1163 17.9479 HCA2 5090 0 0 0 9.000000e-025094 5092 H1A SLES 1 -33.0323 -41.4026 18.0808 HCA2 5090 0 0 0 9.000000e-025095 5093 O1 SLES 1 -32.8865 -39.885 18.7423 OC30A 5090 5094 0 0 - 3.400000e-015096 5094 C1 SLES 1 -32.3729 -39.1622 17.6325 CTL2 5093 5095 5096 5097 - 1.800000e-015097 5095 H11 SLES 1 -33.1371 -38.7015 16.9462 HAL2 5094 0 0 0 9.000000e-025098 5096 H12 SLES 1 -31.7236 -39.8223 17.0039 HAL2 5094 0 0 0 9.000000e-025099 5097 C2 SLES 1 -31.5705 -38.1001 18.383 CTL2 5094 5098 5099 5100 - 1.800000e-015100 5098 H21 SLES 1 -32.2061 -37.394 18.9696 HAL2 5097 0 0 0 9.000000e-025101 5099 H22 SLES 1 -30.7925 -38.5338 19.0574 HAL2 5097 0 0 0 9.000000e-025102 5100 C3 SLES 1 -30.902 -37.3617 17.2949 CTL2 5097 5101 5102 5103 - 1.800000e-015103 5101 H31 SLES 1 -31.7396 -36.9601 16.662 HAL2 5100 0 0 0 9.000000e-025104 5102 H32 SLES 1 -30.2917 -38.1354 16.752 HAL2 5100 0 0 0 9.000000e-025105 5103 C4 SLES 1 -29.9862 -36.2165 17.5829 CTL2 5100 5104 5105 5106 - 1.800000e-015106 5104 H41 SLES 1 -30.5188 -35.395 18.1225 HAL2 5103 0 0 0 9.000000e-025107 5105 H42 SLES 1 -29.1202 -36.5355 18.2092 HAL2 5103 0 0 0 9.000000e-025108 5106 C5 SLES 1 -29.614 -35.8701 16.135 CTL2 5103 5107 5108 5109 - 1.800000e-015109 5107 H51 SLES 1 -30.5342 -35.6301 15.5387 HAL2 5106 0 0 0 9.000000e-025110 5108 H52 SLES 1 -29.1518 -36.7561 15.6253 HAL2 5106 0 0 0 9.000000e-025111 5109 C6 SLES 1 -28.6885 -34.7494 15.933 CTL2 5106 5110 5111 5112 - 1.800000e-015112 5110 H61 SLES 1 -29.2139 -34.0273 15.2508 HAL2 5109 0 0 0 9.000000e-025113 5111 H62 SLES 1 -27.8274 -35.1563 15.3378 HAL2 5109 0 0 0 9.000000e-025114 5112 C7 SLES 1 -28.1827 -34.0325 17.1907 CTL2 5109 5113 5114 5115 - 1.800000e-015115 5113 H71 SLES 1 -28.9867 -33.5368 17.7844 HAL2 5112 0 0 0 9.000000e-025116 5114 H72 SLES 1 -27.583 -34.6798 17.8721 HAL2 5112 0 0 0 9.000000e-025117 5115 C8 SLES 1 -27.3143 -33.0139 16.546 CTL2 5112 5116 5117 5118 - 1.800000e-015118 5116 H81 SLES 1 -27.9801 -32.4173 15.8613 HAL2 5115 0 0 0 9.000000e-025119 5117 H82 SLES 1 -26.5468 -33.5855 15.9504 HAL2 5115 0 0 0 9.000000e-025120 5118 C9 SLES 1 -26.5638 -32.0295 17.3734 CTL2 5115 5119 5120 5121 - 1.800000e-015121 5119 H91 SLES 1 -27.2704 -31.4123 17.9721 HAL2 5118 0 0 0 9.000000e-025122 5120 H92 SLES 1 -25.8641 -32.558 18.0592 HAL2 5118 0 0 0 9.000000e-025123 5121 C10 SLES 1 -25.8517 -31.2391 16.2775 CTL2 5118 5122 5123 5124 - 1.800000e-015124 5122 H10 SLES 1 -26.6075 -30.7925 15.5763 HAL2 5121 0 0 0 9.000000e-025125 5123 H10 SLES 1 -25.2117 -31.9295 15.6633 HAL2 5121 0 0 0 9.000000e-025126 5124 C11 SLES 1 -24.9776 -30.1291 16.7635 CTL2 5121 5125 5126 5127 - 1.800000e-015127 5125 H11 SLES 1 -25.62 -29.435 17.3539 HAL2 5124 0 0 0 9.000000e-025128 5126 H11 SLES 1 -24.216 -30.5789 17.4419 HAL2 5124 0 0 0 9.000000e-025129 5127 C12 SLES 1 -24.3334 -29.4294 15.5633 CTL3 5124 5128 5129 5130 - 2.700000e-015130 5128 H12 SLES 1 -24.6453 -28.3675 15.5309 HAL3 5127 0 0 0 9.000000e-025131 5129 H12 SLES 1 -23.231 -29.5191 15.6187 HAL3 5127 0 0 0 9.000000e-025132 5130 H12 SLES 1 -24.6419 -29.8832 14.5895 HAL3 5127 0 0 0 9.000000e-025133 5131 NA SLES 1 -25.3692 -54.9286 21.0035 NA 0 0 0 0 1 .000000e+005134 5132 S SLES 1 -25.6457 -54.0661 18.1132 SL 5133 5134 5135 5136 1.33 0000e+005135 5133 OS1 SLES 1 -24.9127 -52.9685 18.7667 OSL 5132 5137 0 0 - 2.800000e-015136 5134 OS2 SLES 1 -26.7387 -53.932 19.0501 O2L 5132 0 0 0 - 6.500000e-015137 5135 OS3 SLES 1 -24.6249 -55.0147 18.4947 O2L 5132 0 0 0 - 6.500000e-015138 5136 OS4 SLES 1 -25.8163 -53.6911 16.7376 O2L 5132 0 0 0 - 6.500000e-015139 5137 C2 SLES 1 -24.4298 -51.8188 18.1955 CC32A 5133 5138 5139 5140 - 1.100000e-015140 5138 H2A SLES 1 -25.2643 -51.2155 17.7498 HCA2 5137 0 0 0 9.000000e-025141 5139 H2B SLES 1 -23.6678 -52.0531 17.4056 HCA2 5137 0 0 0 9.000000e-025142 5140 C1 SLES 1 -23.7944 -51.0996 19.4048 CC32A 5137 5141 5142 5143 - 1.000000e-025143 5141 H1B SLES 1 -24.559 -50.9006 20.1998 HCA2 5140 0 0 0 9.000000e-025144 5142 H1A SLES 1 -22.9713 -51.714 19.8456 HCA2 5140 0 0 0 9.000000e-025145 5143 O1 SLES 1 -23.1937 -49.8611 19.2062 OC30A 5140 5144 0 0 - 3.400000e-015146 5144 C2 SLES 1 -23.2156 -49.3134 17.9007 CC32A 5143 5145 5146 5147 - 1.000000e-025147 5145 H2A SLES 1 -24.2783 -49.1788 17.5483 HCA2 5144 0 0 0 9.000000e-025148 5146 H2B SLES 1 -22.6851 -49.974 17.1757 HCA2 5144 0 0 0 9.000000e-025149 5147 C1 SLES 1 -22.5824 -48.0172 18.525 CC32A 5144 5148 5149 5150 - 1.000000e-025150 5148 H1B SLES 1 -23.4552 -47.4308 18.2088 HCA2 5147 0 0 0 9.000000e-025151 5149 H1A SLES 1 -21.7137 -48.3435 17.8459 HCA2 5147 0 0 0 9.000000e-025152 5150 O1 SLES 1 -21.7305 -46.9136 18.6927 OC30A 5147 5151 0 0 - 3.400000e-015153 5151 C1 SLES 1 -21.63 -45.9768 17.6295 CTL2 5150 5152 5153 5154 - 1.800000e-015154 5152 H11 SLES 1 -22.6032 -45.63 17.1825 HAL2 5151 0 0 0 9.000000e-025155 5153 H12 SLES 1 -21.0177 -46.3998 16.7937 HAL2 5151 0 0 0 9.000000e-025156 5154 C2 SLES 1 -20.9096 -44.8481 18.3659 CTL2 5151 5155 5156 5157 - 1.800000e-015157 5155 H21 SLES 1 -21.5272 -44.373 19.1656 HAL2 5154 0 0 0 9.000000e-025158 5156 H22 SLES 1 -19.9311 -45.1643 18.8028 HAL2 5154 0 0 0 9.000000e-025159 5157 C3 SLES 1 -20.6594 -43.8634 17.2964 CTL2 5154 5158 5159 5160 - 1.800000e-015160 5158 H31 SLES 1 -21.6792 -43.5963 16.9063 HAL2 5157 0 0 0 9.000000e-025161 5159 H32 SLES 1 -20.0428 -44.4145 16.5336 HAL2 5157 0 0 0 9.000000e-025162 5160 C4 SLES 1 -19.9497 -42.5783 17.5756 CTL2 5157 5161 5162 5163 - 1.800000e-015163 5161 H41 SLES 1 -20.5025 -41.963 18.3276 HAL2 5160 0 0 0 9.000000e-025164 5162 H42 SLES 1 -18.9208 -42.7583 17.9666 HAL2 5160 0 0 0 9.000000e-025165 5163 C5 SLES 1 -19.9839 -42.0011 16.1541 CTL2 5160 5164 5165 5166 - 1.800000e-015166 5164 H51 SLES 1 -21.0422 -41.9132 15.7904 HAL2 5163 0 0 0 9.000000e-025167 5165 H52 SLES 1 -19.4789 -42.6982 15.4347 HAL2 5163 0 0 0 9.000000e-025168 5166 C6 SLES 1 -19.3685 -40.6843 15.9527 CTL2 5163 5167 5168 5169 - 1.800000e-015169 5167 H61 SLES 1 -20.165 -40.0308 15.504 HAL2 5166 0 0 0 9.000000e-025170 5168 H62 SLES 1 -18.5972 -40.8177 15.1474 HAL2 5166 0 0 0 9.000000e-025171 5169 C7 SLES 1 -18.7501 -40.0123 17.1846 CTL2 5166 5170 5171 5172 - 1.800000e-015172 5170 H71 SLES 1 -19.485 -39.7797 17.9911 HAL2 5169 0 0 0 9.000000e-025173 5171 H72 SLES 1 -17.8978 -40.5764 17.6297 HAL2 5169 0 0 0 9.000000e-025174 5172 C8 SLES 1 -18.2669 -38.7591 16.5495 CTL2 5169 5173 5174 5175 - 1.800000e-015175 5173 H81 SLES 1 -19.173 -38.2586 16.106 HAL2 5172 0 0 0 9.000000e-025176 5174 H82 SLES 1 -17.5522 -39.0731 15.7364 HAL2 5172 0 0 0 9.000000e-025177 5175 C9 SLES 1 -17.5635 -37.7258 17.3584 CTL2 5172 5176 5177 5178 - 1.800000e-015178 5176 H91 SLES 1 -18.2285 -37.3542 18.1698 HAL2 5175 0 0 0 9.000000e-025179 5177 H92 SLES 1 -16.6384 -38.1528 17.8069 HAL2 5175 0 0 0 9.000000e-025180 5178 C10 SLES 1 -17.2839 -36.68 16.281 CTL2 5175 5179 5180 5181 - 1.800000e-015181 5179 H10 SLES 1 -18.2495 -36.3433 15.8158 HAL2 5178 0 0 0 9.000000e-025182 5180 H10 SLES 1 -16.6713 -37.1359 15.4562 HAL2 5178 0 0 0 9.000000e-025183 5181 C11 SLES 1 -16.563 -35.46 16.7547 CTL2 5178 5182 5183 5184 - 1.800000e-015184 5182 H11 SLES 1 -17.184 -34.9984 17.5574 HAL2 5181 0 0 0 9.000000e-025185 5183 H11 SLES 1 -15.5962 -35.7959 17.1961 HAL2 5181 0 0 0 9.000000e-025186 5184 C12 SLES 1 -16.3533 -34.5061 15.5753 CTL3 5181 5185 5186 5187 - 2.700000e-015187 5185 H12 SLES 1 -16.8698 -33.5457 15.7675 HAL3 5184 0 0 0 9.000000e-025188 5186 H12 SLES 1 -15.2708 -34.3484 15.4028 HAL3 5184 0 0 0 9.000000e-025189 5187 H12 SLES 1 -16.7729 -34.9095 14.621 HAL3 5184 0 0 0 9.000000e-025190 5188 NA SLES 1 -10.4359 -59.6256 20.8339 NA 0 0 0 0 1 .000000e+005191 5189 S SLES 1 -11.5721 -58.7022 18.1823 SL 5190 5191 5192 5193 1.33 0000e+005192 5190 OS1 SLES 1 -10.9431 -57.5032 18.7621 OSL 5189 5194 0 0 - 2.800000e-015193 5191 OS2 SLES 1 -12.4103 -58.8616 19.3497 O2L 5189 0 0 0 - 6.500000e-015194 5192 OS3 SLES 1 -10.3179 -59.4179 18.2265 O2L 5189 0 0 0 - 6.500000e-015195 5193 OS4 SLES 1 -12.1427 -58.3059 16.9256 O2L 5189 0 0 0 - 6.500000e-015196 5194 C2 SLES 1 -10.8577 -56.2478 18.2164 CC32A 5190 5195 5196 5197 - 1.100000e-015197 5195 H2A SLES 1 -11.8801 -55.8236 18.0332 HCA2 5194 0 0 0 9.000000e-025198 5196 H2B SLES 1 -10.2776 -56.2668 17.2558 HCA2 5194 0 0 0 9.000000e-025199 5197 C1 SLES 1 -10.1097 -55.4669 19.3184 CC32A 5194 5198 5199 5200 - 1.000000e-025200 5198 H1B SLES 1 -10.6838 -55.4831 20.2809 HCA2 5197 0 0 0 9.000000e-025201 5199 H1A SLES 1 -9.09698 -55.9042 19.4983 HCA2 5197 0 0 0 9.000000e-025202 5200 O1 SLES 1 -9.84068 -54.1175 19.1163 OC30A 5197 5201 0 0 - 3.400000e-015203 5201 C2 SLES 1 -10.2886 -53.5236 17.9115 CC32A 5200 5202 5203 5204 - 1.000000e-025204 5202 H2A SLES 1 -11.4092 -53.6111 17.8226 HCA2 5201 0 0 0 9.000000e-025205 5203 H2B SLES 1 -9.82537 -54.0124 17.0227 HCA2 5201 0 0 0 9.000000e-025206 5204 C1 SLES 1 -9.80181 -52.1521 18.5055 CC32A 5201 5205 5206 5207 - 1.000000e-025207 5205 H1B SLES 1 -10.8259 -51.7593 18.4547 HCA2 5204 0 0 0 9.000000e-025208 5206 H1A SLES 1 -9.07498 -52.2425 17.619 HCA2 5204 0 0 0 9.000000e-025209 5207 O1 SLES 1 -9.17848 -50.8964 18.5882 OC30A 5204 5208 0 0 - 3.400000e-015210 5208 C1 SLES 1 -9.53107 -49.9086 17.6302 CTL2 5207 5209 5210 5211 - 1.800000e-015211 5209 H11 SLES 1 -10.6331 -49.765 17.451 HAL2 5208 0 0 0 9.000000e-025212 5210 H12 SLES 1 -9.06567 -50.1424 16.6397 HAL2 5208 0 0 0 9.000000e-025213 5211 C2 SLES 1 -8.90036 -48.6865 18.2963 CTL2 5208 5212 5213 5214 - 1.800000e-015214 5212 H21 SLES 1 -9.39022 -48.4013 19.2582 HAL2 5211 0 0 0 9.000000e-025215 5213 H22 SLES 1 -7.80201 -48.7987 18.4677 HAL2 5211 0 0 0 9.000000e-025216 5214 C3 SLES 1 -9.12234 -47.6183 17.3033 CTL2 5211 5215 5216 5217 - 1.800000e-015217 5215 H31 SLES 1 -10.2385 -47.5655 17.1815 HAL2 5214 0 0 0 9.000000e-025218 5216 H32 SLES 1 -8.60895 -47.9795 16.3696 HAL2 5214 0 0 0 9.000000e-025219 5217 C4 SLES 1 -8.64399 -46.2233 17.5445 CTL2 5214 5218 5219 5220 - 1.800000e-015220 5218 H41 SLES 1 -9.11249 -45.7848 18.4599 HAL2 5217 0 0 0 9.000000e-025221 5219 H42 SLES 1 -7.53674 -46.1894 17.6739 HAL2 5217 0 0 0 9.000000e-025222 5220 C5 SLES 1 -9.13754 -45.5976 16.233 CTL2 5217 5221 5222 5223 - 1.800000e-015223 5221 H51 SLES 1 -10.2473 -45.7291 16.1274 HAL2 5220 0 0 0 9.000000e-025224 5222 H52 SLES 1 -8.68981 -46.1279 15.3517 HAL2 5220 0 0 0 9.000000e-025225 5223 C6 SLES 1 -8.87121 -44.1685 16.0329 CTL2 5220 5224 5225 5226 - 1.800000e-015226 5224 H61 SLES 1 -9.86863 -43.6867 15.8433 HAL2 5223 0 0 0 9.000000e-025227 5225 H62 SLES 1 -8.30668 -44.0865 15.0655 HAL2 5223 0 0 0 9.000000e-025228 5226 C7 SLES 1 -8.12435 -43.4385 17.1558 CTL2 5223 5227 5228 5229 - 1.800000e-015229 5227 H71 SLES 1 -8.67435 -43.4159 18.1262 HAL2 5226 0 0 0 9.000000e-025230 5228 H72 SLES 1 -7.09313 -43.8206 17.3384 HAL2 5226 0 0 0 9.000000e-025231 5229 C8 SLES 1 -8.07517 -42.0789 16.5586 CTL2 5226 5230 5231 5232 - 1.800000e-015232 5230 H81 SLES 1 -9.14404 -41.7709 16.3832 HAL2 5229 0 0 0 9.000000e-025233 5231 H82 SLES 1 -7.5293 -42.185 15.5782 HAL2 5229 0 0 0 9.000000e-025234 5232 C9 SLES 1 -7.42356 -40.957 17.2891 CTL2 5229 5233 5234 5235 - 1.800000e-015235 5233 H91 SLES 1 -7.93446 -40.7838 18.2625 HAL2 5232 0 0 0 9.000000e-025236 5234 H92 SLES 1 -6.3505 -41.1896 17.4725 HAL2 5232 0 0 0 9.000000e-025237 5235 C10 SLES 1 -7.63199 -39.8226 16.288 CTL2 5232 5236 5237 5238 - 1.800000e-015238 5236 H10 SLES 1 -8.72916 -39.6861 16.0884 HAL2 5235 0 0 0 9.000000e-025239 5237 H10 SLES 1 -7.15684 -40.0888 15.3048 HAL2 5235 0 0 0 9.000000e-025240 5238 C11 SLES 1 -7.08289 -38.4981 16.7086 CTL2 5235 5239 5240 5241 - 1.800000e-015241 5239 H11 SLES 1 -7.5724 -38.227 17.6729 HAL2 5238 0 0 0 9.000000e-025242 5240 H11 SLES 1 -5.9905 -38.6324 16.885 HAL2 5238 0 0 0 9.000000e-025243 5241 C12 SLES 1 -7.36343 -37.4635 15.6151 CTL3 5238 5242 5243 5244 - 2.700000e-015244 5242 H12 SLES 1 -8.00314 -36.6529 16.0148 HAL3 5241 0 0 0 9.000000e-025245 5243 H12 SLES 1 -6.4103 -37.0606 15.2206 HAL3 5241 0 0 0 9.000000e-025246 5244 H12 SLES 1 -7.90951 -37.9017 14.7438 HAL3 5241 0 0 0 9.000000e-025247 5245 NA SLES 1 5.15275 -60.358 20.549 NA 0 0 0 0 1 .000000e+005248 5246 S SLES 1 3.22976 -59.7311 18.2944 SL 5247 5248 5249 5250 1.33 0000e+005249 5247 OS1 SLES 1 3.71414 -58.4183 18.754 OSL 5246 5251 0 0 - 2.800000e-015250 5248 OS2 SLES 1 2.75821 -60.0539 19.6226 O2L 5246 0 0 0 - 6.500000e-015251 5249 OS3 SLES 1 4.57822 -60.1596 18.0022 O2L 5246 0 0 0 - 6.500000e-015252 5250 OS4 SLES 1 2.29678 -59.4813 17.2318 O2L 5246 0 0 0 - 6.500000e-015253 5251 C2 SLES 1 3.39521 -57.1803 18.2574 CC32A 5247 5252 5253 5254 - 1.100000e-015254 5252 H2A SLES 1 2.29334 -56.9881 18.3462 HCA2 5251 0 0 0 9.000000e-025255 5253 H2B SLES 1 3.7113 -57.085 17.1847 HCA2 5251 0 0 0 9.000000e-025256 5254 C1 SLES 1 4.2091 -56.2442 19.1766 CC32A 5251 5255 5256 5257 - 1.000000e-025257 5255 H1B SLES 1 3.9066 -56.3725 20.2482 HCA2 5254 0 0 0 9.000000e-025258 5256 H1A SLES 1 5.30374 -56.4512 19.0864 HCA2 5254 0 0 0 9.000000e-025259 5257 O1 SLES 1 4.12861 -54.8709 18.9723 OC30A 5254 5258 0 0 - 3.400000e-015260 5258 C2 SLES 1 3.28267 -54.4011 17.9387 CC32A 5257 5259 5260 5261 - 1.000000e-025261 5259 H2A SLES 1 2.21924 -54.7287 18.1211 HCA2 5258 0 0 0 9.000000e-025262 5260 H2B SLES 1 3.60516 -54.7889 16.9441 HCA2 5258 0 0 0 9.000000e-025263 5261 C1 SLES 1 3.59954 -52.9502 18.4539 CC32A 5258 5262 5263 5264 - 1.000000e-025264 5262 H1B SLES 1 2.53536 -52.7877 18.6701 HCA2 5261 0 0 0 9.000000e-025265 5263 H1A SLES 1 4.08776 -52.8923 17.4144 HCA2 5261 0 0 0 9.000000e-025266 5264 O1 SLES 1 3.94414 -51.589 18.4357 OC30A 5261 5265 0 0 - 3.400000e-015267 5265 C1 SLES 1 3.16587 -50.7112 17.6346 CTL2 5264 5266 5267 5268 - 1.800000e-015268 5266 H11 SLES 1 2.04897 -50.8102 17.7347 HAL2 5265 0 0 0 9.000000e-025269 5267 H12 SLES 1 3.41149 -50.8507 16.5517 HAL2 5265 0 0 0 9.000000e-025270 5268 C2 SLES 1 3.66822 -49.3745 18.1784 CTL2 5265 5269 5270 5271 - 1.800000e-015271 5269 H21 SLES 1 3.38157 -49.1904 19.2417 HAL2 5268 0 0 0 9.000000e-025272 5270 H22 SLES 1 4.77305 -49.2457 18.0729 HAL2 5268 0 0 0 9.000000e-025273 5271 C3 SLES 1 2.98791 -48.3905 17.3151 CTL2 5268 5272 5273 5274 - 1.800000e-015274 5272 H31 SLES 1 1.89104 -48.5805 17.4705 HAL2 5271 0 0 0 9.000000e-025275 5273 H32 SLES 1 3.31985 -48.6434 16.2703 HAL2 5271 0 0 0 9.000000e-025276 5274 C4 SLES 1 3.20495 -46.9226 17.4915 CTL2 5271 5275 5276 5277 - 1.800000e-015277 5275 H41 SLES 1 2.89463 -46.5848 18.511 HAL2 5274 0 0 0 9.000000e-025278 5276 H42 SLES 1 4.27697 -46.6497 17.3493 HAL2 5274 0 0 0 9.000000e-025279 5277 C5 SLES 1 2.28282 -46.4328 16.3669 CTL2 5274 5278 5279 5280 - 1.800000e-015280 5278 H51 SLES 1 1.23491 -46.8012 16.5286 HAL2 5277 0 0 0 9.000000e-025281 5279 H52 SLES 1 2.60129 -46.8643 15.3816 HAL2 5277 0 0 0 9.000000e-025282 5280 C6 SLES 1 2.18342 -44.9822 16.1686 CTL2 5277 5281 5282 5283 - 1.800000e-015283 5281 H61 SLES 1 1.09149 -44.7286 16.2475 HAL2 5280 0 0 0 9.000000e-025284 5282 H62 SLES 1 2.46176 -44.7917 15.0974 HAL2 5280 0 0 0 9.000000e-025285 5283 C7 SLES 1 3.01218 -44.0958 17.1062 CTL2 5280 5284 5285 5286 - 1.800000e-015286 5284 H71 SLES 1 2.72622 -44.1811 18.1811 HAL2 5283 0 0 0 9.000000e-025287 5285 H72 SLES 1 4.1133 -44.2449 17.0164 HAL2 5283 0 0 0 9.000000e-025288 5286 C8 SLES 1 2.62425 -42.7645 16.5728 CTL2 5283 5287 5288 5289 - 1.800000e-015289 5287 H81 SLES 1 1.50494 -42.6957 16.6755 HAL2 5286 0 0 0 9.000000e-025290 5288 H82 SLES 1 2.92147 -42.7617 15.4856 HAL2 5286 0 0 0 9.000000e-025291 5289 C9 SLES 1 3.18341 -41.5204 17.1698 CTL2 5286 5290 5291 5292 - 1.800000e-015292 5290 H91 SLES 1 2.90337 -41.45 18.2446 HAL2 5289 0 0 0 9.000000e-025293 5291 H92 SLES 1 4.29272 -41.5144 17.077 HAL2 5289 0 0 0 9.000000e-025294 5292 C10 SLES 1 2.49992 -40.4688 16.2981 CTL2 5289 5293 5294 5295 - 1.800000e-015295 5293 H10 SLES 1 1.38413 -40.574 16.377 HAL2 5292 0 0 0 9.000000e-025296 5294 H10 SLES 1 2.76342 -40.6378 15.2186 HAL2 5292 0 0 0 9.000000e-025297 5295 C11 SLES 1 2.84298 -39.0526 16.6282 CTL2 5292 5296 5297 5298 - 1.800000e-015298 5296 H11 SLES 1 2.56022 -38.8822 17.6931 HAL2 5295 0 0 0 9.000000e-025299 5297 H11 SLES 1 3.94807 -38.9465 16.5281 HAL2 5295 0 0 0 9.000000e-025300 5298 C12 SLES 1 2.08962 -38.1151 15.6803 CTL3 5295 5299 5300 5301 - 2.700000e-015301 5299 H12 SLES 1 1.41167 -37.4566 16.2573 HAL3 5298 0 0 0 9.000000e-025302 5300 H12 SLES 1 2.80881 -37.521 15.0834 HAL3 5298 0 0 0 9.000000e-025303 5301 H12 SLES 1 1.45106 -38.6704 14.9501 HAL3 5298 0 0 0 9.000000e-025304 5302 NA SLES 1 20.3459 -57.1212 20.1668 NA 0 0 0 0 1 .000000e+005305 5303 S SLES 1 17.8564 -57.0719 18.4423 SL 5304 5305 5306 5307 1.33 0000e+005306 5304 OS1 SLES 1 18.136 -55.6575 18.743 OSL 5303 5308 0 0 - 2.800000e-015307 5305 OS2 SLES 1 17.7937 -57.3886 19.8517 O2L 5303 0 0 0 - 6.500000e-015308 5306 OS3 SLES 1 19.1581 -57.2311 17.836 O2L 5303 0 0 0 - 6.500000e-015309 5307 OS4 SLES 1 16.6679 -57.0988 17.637 O2L 5303 0 0 0 - 6.500000e-015310 5308 C2 SLES 1 17.4458 -54.5518 18.3159 CC32A 5304 5309 5310 5311 - 1.100000e-015311 5309 H2A SLES 1 16.3814 -54.5867 18.6691 HCA2 5308 0 0 0 9.000000e-025312 5310 H2B SLES 1 17.4713 -54.4708 17.1968 HCA2 5308 0 0 0 9.000000e-025313 5311 C1 SLES 1 18.2282 -53.4032 18.9884 CC32A 5308 5312 5313 5314 - 1.000000e-025314 5312 H1B SLES 1 18.2225 -53.5137 20.1038 HCA2 5311 0 0 0 9.000000e-025315 5313 H1A SLES 1 19.2887 -53.3844 18.6359 HCA2 5311 0 0 0 9.000000e-025316 5314 O1 SLES 1 17.8031 -52.095 18.7834 OC30A 5311 5315 0 0 - 3.400000e-015317 5315 C2 SLES 1 16.6556 -51.887 17.9804 CC32A 5314 5316 5317 5318 - 1.000000e-025318 5316 H2A SLES 1 15.7634 -52.4142 18.425 HCA2 5315 0 0 0 9.000000e-025319 5317 H2B SLES 1 16.8114 -52.2704 16.9449 HCA2 5315 0 0 0 9.000000e-025320 5318 C1 SLES 1 16.7594 -50.3686 18.3735 CC32A 5315 5319 5320 5321 - 1.000000e-025321 5319 H1B SLES 1 15.7672 -50.4153 18.8414 HCA2 5318 0 0 0 9.000000e-025322 5320 H1A SLES 1 16.9639 -50.2859 17.2449 HCA2 5318 0 0 0 9.000000e-025323 5321 O1 SLES 1 16.7833 -48.9705 18.2445 OC30A 5318 5322 0 0 - 3.400000e-015324 5322 C1 SLES 1 15.6654 -48.3337 17.6424 CTL2 5321 5323 5324 5325 - 1.800000e-015325 5323 H11 SLES 1 14.6531 -48.6548 18.0159 HAL2 5322 0 0 0 9.000000e-025326 5324 H12 SLES 1 15.6732 -48.4971 16.5352 HAL2 5322 0 0 0 9.000000e-025327 5325 C2 SLES 1 15.9765 -46.886 18.0198 CTL2 5322 5326 5327 5328 - 1.800000e-015328 5326 H21 SLES 1 15.9155 -46.6891 19.1171 HAL2 5325 0 0 0 9.000000e-025329 5327 H22 SLES 1 16.9696 -46.5387 17.6434 HAL2 5325 0 0 0 9.000000e-025330 5328 C3 SLES 1 14.9134 -46.1298 17.3311 CTL2 5325 5329 5330 5331 - 1.800000e-015331 5329 H31 SLES 1 13.9531 -46.5316 17.7551 HAL2 5328 0 0 0 9.000000e-025332 5330 H32 SLES 1 15.0368 -46.3832 16.2419 HAL2 5328 0 0 0 9.000000e-025333 5331 C4 SLES 1 14.8391 -44.64 17.42 CTL2 5328 5332 5333 5334 - 1.800000e-015334 5332 H41 SLES 1 14.7116 -44.3011 18.4777 HAL2 5331 0 0 0 9.000000e-025335 5333 H42 SLES 1 15.7608 -44.1615 17.0134 HAL2 5331 0 0 0 9.000000e-025336 5334 C5 SLES 1 13.5936 -44.4349 16.5472 CTL2 5331 5335 5336 5337 - 1.800000e-015337 5335 H51 SLES 1 12.7202 -45.0002 16.9688 HAL2 5334 0 0 0 9.000000e-025338 5336 H52 SLES 1 13.7574 -44.861 15.5225 HAL2 5334 0 0 0 9.000000e-025339 5337 C6 SLES 1 13.1351 -43.0548 16.3512 CTL2 5334 5338 5339 5340 - 1.800000e-015340 5338 H61 SLES 1 12.0643 -43.0284 16.6911 HAL2 5337 0 0 0 9.000000e-025341 5339 H62 SLES 1 13.1044 -42.8886 15.2409 HAL2 5337 0 0 0 9.000000e-025342 5340 C7 SLES 1 13.9468 -41.9502 17.0387 CTL2 5337 5341 5342 5343 - 1.800000e-015343 5341 H71 SLES 1 13.9481 -42.015 18.1525 HAL2 5340 0 0 0 9.000000e-025344 5342 H72 SLES 1 15.0008 -41.8736 16.684 HAL2 5340 0 0 0 9.000000e-025345 5343 C8 SLES 1 13.1622 -40.7705 16.5912 CTL2 5340 5344 5345 5346 - 1.800000e-015346 5344 H81 SLES 1 12.1116 -40.9284 16.9646 HAL2 5343 0 0 0 9.000000e-025347 5345 H82 SLES 1 13.1867 -40.7848 15.4644 HAL2 5343 0 0 0 9.000000e-025348 5346 C9 SLES 1 13.56 -39.3976 17.008 CTL2 5343 5347 5348 5349 - 1.800000e-015349 5347 H91 SLES 1 13.5328 -39.3094 18.1171 HAL2 5346 0 0 0 9.000000e-025350 5348 H92 SLES 1 14.5871 -39.1683 16.6453 HAL2 5346 0 0 0 9.000000e-025351 5349 C10 SLES 1 12.4771 -38.5767 16.3107 CTL2 5346 5350 5351 5352 - 1.800000e-015352 5350 H10 SLES 1 11.4622 -38.9052 16.6635 HAL2 5349 0 0 0 9.000000e-025353 5351 H10 SLES 1 12.5091 -38.765 15.203 HAL2 5349 0 0 0 9.000000e-025354 5352 C11 SLES 1 12.5696 -37.1 16.5186 CTL2 5349 5353 5354 5355 - 1.800000e-015355 5353 H11 SLES 1 12.5156 -36.9155 17.6168 HAL2 5352 0 0 0 9.000000e-025356 5354 H11 SLES 1 13.5691 -36.7744 16.1479 HAL2 5352 0 0 0 9.000000e-025357 5355 C12 SLES 1 11.4276 -36.4104 15.7669 CTL3 5352 5356 5357 5358 - 2.700000e-015358 5356 H12 SLES 1 10.7775 -35.8671 16.4798 HAL3 5355 0 0 0 9.000000e-025359 5357 H12 SLES 1 11.8377 -35.7248 15 HAL3 5355 0 0 0 9.000000e-025360 5358 H12 SLES 1 10.7724 -37.1376 15.227 HAL3 5355 0 0 0 9.000000e-025361 5359 NA SLES 1 34.1464 -50.1892 19.7113 NA 0 0 0 0 1 .000000e+005362 5360 S SLES 1 31.4041 -50.8646 18.6168 SL 5361 5362 5363 5364 1.33 0000e+005363 5361 OS1 SLES 1 31.4148 -49.3962 18.7298 OSL 5360 5365 0 0 - 2.800000e-015364 5362 OS2 SLES 1 31.7123 -51.0034 20.0226 O2L 5360 0 0 0 - 6.500000e-015365 5363 OS3 SLES 1 32.5508 -50.8351 17.7384 O2L 5360 0 0 0 - 6.500000e-015366 5364 OS4 SLES 1 30.1101 -51.2337 18.1157 O2L 5360 0 0 0 - 6.500000e-015367 5365 C2 SLES 1 30.4195 -48.5165 18.3883 CC32A 5361 5366 5367 5368 - 1.100000e-015368 5366 H2A SLES 1 29.489 -48.7193 18.9817 HCA2 5365 0 0 0 9.000000e-025369 5367 H2B SLES 1 30.1901 -48.5767 17.2913 HCA2 5365 0 0 0 9.000000e-025370 5368 C1 SLES 1 31.0466 -47.1571 18.7656 CC32A 5365 5369 5370 5371 - 1.000000e-025371 5369 H1B SLES 1 31.3007 -47.122 19.8567 HCA2 5368 0 0 0 9.000000e-025372 5370 H1A SLES 1 31.9771 -46.9706 18.1752 HCA2 5368 0 0 0 9.000000e-025373 5371 O1 SLES 1 30.3045 -45.9987 18.5613 OC30A 5368 5372 0 0 - 3.400000e-015374 5372 C2 SLES 1 28.9971 -46.1312 18.0341 CC32A 5371 5373 5374 5375 - 1.000000e-025375 5373 H2A SLES 1 28.3606 -46.7656 18.7153 HCA2 5372 0 0 0 9.000000e-025376 5374 H2B SLES 1 29.0138 -46.6053 17.0249 HCA2 5372 0 0 0 9.000000e-025377 5375 C1 SLES 1 28.8366 -44.5853 18.2693 CC32A 5372 5376 5377 5378 - 1.000000e-025378 5376 H1B SLES 1 28.0016 -44.7703 18.9579 HCA2 5375 0 0 0 9.000000e-025379 5377 H1A SLES 1 28.7751 -44.6091 17.1213 HCA2 5375 0 0 0 9.000000e-025380 5378 O1 SLES 1 28.5174 -43.2395 18.0268 OC30A 5375 5379 0 0 - 3.400000e-015381 5379 C1 SLES 1 27.1838 -42.9237 17.653 CTL2 5378 5380 5381 5382 - 1.800000e-015382 5380 H11 SLES 1 26.3717 -43.3914 18.2768 HAL2 5379 0 0 0 9.000000e-025383 5381 H12 SLES 1 26.9951 -43.2233 16.5913 HAL2 5379 0 0 0 9.000000e-025384 5382 C2 SLES 1 27.2332 -41.4068 17.8303 CTL2 5379 5383 5384 5385 - 1.800000e-015385 5383 H21 SLES 1 27.3617 -41.0866 18.8922 HAL2 5382 0 0 0 9.000000e-025386 5384 H22 SLES 1 28.0206 -40.918 17.2061 HAL2 5382 0 0 0 9.000000e-025387 5385 C3 SLES 1 25.9067 -40.9752 17.3503 CTL2 5382 5386 5387 5388 - 1.800000e-015388 5386 H31 SLES 1 25.1728 -41.5042 18.0173 HAL2 5385 0 0 0 9.000000e-025389 5387 H32 SLES 1 25.852 -41.3365 16.2863 HAL2 5385 0 0 0 9.000000e-025390 5388 C4 SLES 1 25.5193 -39.5321 17.3345 CTL2 5385 5389 5390 5391 - 1.800000e-015391 5389 H41 SLES 1 25.5442 -39.0926 18.3622 HAL2 5388 0 0 0 9.000000e-025392 5390 H42 SLES 1 26.2029 -38.9342 16.6872 HAL2 5388 0 0 0 9.000000e-025393 5391 C5 SLES 1 24.1046 -39.696 16.7628 CTL2 5388 5392 5393 5394 - 1.800000e-015394 5392 H51 SLES 1 23.4897 -40.3666 17.4203 HAL2 5391 0 0 0 9.000000e-025395 5393 H52 SLES 1 24.1408 -40.2087 15.7656 HAL2 5391 0 0 0 9.000000e-025396 5394 C6 SLES 1 23.3164 -38.4735 16.5692 CTL2 5391 5395 5396 5397 - 1.800000e-015397 5395 H61 SLES 1 22.3633 -38.6197 17.1463 HAL2 5394 0 0 0 9.000000e-025398 5396 H62 SLES 1 23.0162 -38.4612 15.4871 HAL2 5394 0 0 0 9.000000e-025399 5397 C7 SLES 1 23.9845 -37.149 16.9578 CTL2 5394 5398 5399 5400 - 1.800000e-015400 5398 H71 SLES 1 24.2346 -37.0683 18.042 HAL2 5397 0 0 0 9.000000e-025401 5399 H72 SLES 1 24.8954 -36.908 16.3621 HAL2 5397 0 0 0 9.000000e-025402 5400 C8 SLES 1 22.8783 -36.2191 16.6126 CTL2 5397 5401 5402 5403 - 1.800000e-015403 5401 H81 SLES 1 21.9929 -36.5359 17.2322 HAL2 5400 0 0 0 9.000000e-025404 5402 H82 SLES 1 22.6678 -36.373 15.5161 HAL2 5400 0 0 0 9.000000e-025405 5403 C9 SLES 1 23.0352 -34.7522 16.8138 CTL2 5400 5404 5405 5406 - 1.800000e-015406 5404 H91 SLES 1 23.2229 -34.5293 17.888 HAL2 5403 0 0 0 9.000000e-025407 5405 H92 SLES 1 23.8845 -34.3693 16.2044 HAL2 5403 0 0 0 9.000000e-025408 5406 C10 SLES 1 21.6736 -34.2629 16.325 CTL2 5403 5407 5408 5409 - 1.800000e-015409 5407 H10 SLES 1 20.8563 -34.7409 16.9298 HAL2 5406 0 0 0 9.000000e-025410 5408 H10 SLES 1 21.5134 -34.5818 15.2591 HAL2 5406 0 0 0 9.000000e-025411 5409 C11 SLES 1 21.4728 -32.7836 16.3866 CTL2 5406 5410 5411 5412 - 1.800000e-015412 5410 H11 SLES 1 21.6109 -32.4739 17.4488 HAL2 5409 0 0 0 9.000000e-025413 5411 H11 SLES 1 22.2724 -32.3139 15.7682 HAL2 5409 0 0 0 9.000000e-025414 5412 C12 SLES 1 20.0729 -32.4407 15.8693 CTL3 5409 5413 5414 5415 - 2.700000e-015415 5413 H12 SLES 1 19.4821 -31.9523 16.6683 HAL3 5412 0 0 0 9.000000e-025416 5414 H12 SLES 1 20.1474 -31.791 14.9755 HAL3 5412 0 0 0 9.000000e-025417 5415 H12 SLES 1 19.4998 -33.3482 15.5571 HAL3 5412 0 0 0 9.000000e-025418 5416 NA SLES 1 45.6836 -40.08 19.2111 NA 0 0 0 0 1 .000000e+005419 5417 S SLES 1 43.0221 -41.4681 18.8068 SL 5418 5419 5420 5421 1.33 0000e+005420 5418 OS1 SLES 1 42.7163 -40.0302 18.7151 OSL 5417 5422 0 0 - 2.800000e-015421 5419 OS2 SLES 1 43.5905 -41.292 20.1246 O2L 5417 0 0 0 - 6.500000e-015422 5420 OS3 SLES 1 43.9633 -41.3679 17.7153 O2L 5417 0 0 0 - 6.500000e-015423 5421 OS4 SLES 1 41.7802 -42.1689 18.6379 O2L 5417 0 0 0 - 6.500000e-015424 5422 C2 SLES 1 41.5028 -39.4398 18.47 CC32A 5418 5423 5424 5425 - 1.100000e-015425 5423 H2A SLES 1 40.7594 -39.7146 19.2642 HCA2 5422 0 0 0 9.000000e-025426 5424 H2B SLES 1 41.1084 -39.7374 17.4623 HCA2 5422 0 0 0 9.000000e-025427 5425 C1 SLES 1 41.858 -37.9382 18.5221 CC32A 5422 5426 5427 5428 - 1.000000e-025428 5426 H1B SLES 1 42.2809 -37.661 19.5225 HCA2 5425 0 0 0 9.000000e-025429 5427 H1A SLES 1 42.6057 -37.6786 17.733 HCA2 5425 0 0 0 9.000000e-025430 5428 O1 SLES 1 40.8472 -37.0046 18.3201 OC30A 5425 5429 0 0 - 3.400000e-015431 5429 C2 SLES 1 39.534 -37.4847 18.0964 CC32A 5428 5430 5431 5432 - 1.000000e-025432 5430 H2A SLES 1 39.186 -38.1018 18.9736 HCA2 5429 0 0 0 9.000000e-025433 5431 H2B SLES 1 39.485 -38.117 17.1792 HCA2 5429 0 0 0 9.000000e-025434 5432 C1 SLES 1 39.0675 -35.9845 18.1479 CC32A 5429 5433 5434 5435 - 1.000000e-025435 5433 H1B SLES 1 38.4279 -36.2063 19.0123 HCA2 5432 0 0 0 9.000000e-025436 5434 H1A SLES 1 38.8168 -36.2227 17.0512 HCA2 5432 0 0 0 9.000000e-025437 5435 O1 SLES 1 38.4125 -34.7931 17.7962 OC30A 5432 5436 0 0 - 3.400000e-015438 5436 C1 SLES 1 36.9982 -34.8191 17.6658 CTL2 5435 5437 5438 5439 - 1.800000e-015439 5437 H11 SLES 1 36.434 -35.3204 18.501 HAL2 5436 0 0 0 9.000000e-025440 5438 H12 SLES 1 36.7035 -35.3331 16.7164 HAL2 5436 0 0 0 9.000000e-025441 5439 C2 SLES 1 36.7295 -33.3155 17.6218 CTL2 5436 5440 5441 5442 - 1.800000e-015442 5440 H21 SLES 1 36.9618 -32.7935 18.5811 HAL2 5439 0 0 0 9.000000e-025443 5441 H22 SLES 1 37.2651 -32.7987 16.7886 HAL2 5439 0 0 0 9.000000e-025444 5442 C3 SLES 1 35.2773 -33.2471 17.3715 CTL2 5439 5443 5444 5445 - 1.800000e-015445 5443 H31 SLES 1 34.8094 -33.7844 18.2408 HAL2 5442 0 0 0 9.000000e-025446 5444 H32 SLES 1 35.1246 -33.7946 16.4005 HAL2 5442 0 0 0 9.000000e-025447 5445 C4 SLES 1 34.5736 -31.9354 17.2404 CTL2 5442 5446 5447 5448 - 1.800000e-015448 5446 H41 SLES 1 34.6736 -31.3249 18.1716 HAL2 5445 0 0 0 9.000000e-025449 5447 H42 SLES 1 34.9809 -31.3381 16.3912 HAL2 5445 0 0 0 9.000000e-025450 5448 C5 SLES 1 33.1572 -32.4749 16.9999 CTL2 5445 5449 5450 5451 - 1.800000e-015451 5449 H51 SLES 1 32.834 -33.1268 17.8547 HAL2 5448 0 0 0 9.000000e-025452 5450 H52 SLES 1 33.1377 -33.1384 16.0956 HAL2 5448 0 0 0 9.000000e-025453 5451 C6 SLES 1 32.0894 -31.4867 16.809 CTL2 5448 5452 5453 5454 - 1.800000e-015454 5452 H61 SLES 1 31.3085 -31.7143 17.5844 HAL2 5451 0 0 0 9.000000e-025455 5453 H62 SLES 1 31.613 -31.7258 15.8204 HAL2 5451 0 0 0 9.000000e-025456 5454 C7 SLES 1 32.4938 -30.0087 16.8685 CTL2 5451 5455 5456 5457 - 1.800000e-015457 5455 H71 SLES 1 32.9012 -29.6895 17.8567 HAL2 5454 0 0 0 9.000000e-025458 5456 H72 SLES 1 33.2093 -29.7012 16.0708 HAL2 5454 0 0 0 9.000000e-025459 5457 C8 SLES 1 31.162 -29.3923 16.6358 CTL2 5454 5458 5459 5460 - 1.800000e-015460 5458 H81 SLES 1 30.4923 -29.7635 17.4615 HAL2 5457 0 0 0 9.000000e-025461 5459 H82 SLES 1 30.8071 -29.7765 15.6373 HAL2 5457 0 0 0 9.000000e-025462 5460 C9 SLES 1 31.0118 -27.9115 16.5996 CTL2 5457 5461 5462 5463 - 1.800000e-015463 5461 H91 SLES 1 31.3252 -27.4693 17.5717 HAL2 5460 0 0 0 9.000000e-025464 5462 H92 SLES 1 31.6335 -27.482 15.7821 HAL2 5460 0 0 0 9.000000e-025465 5463 C10 SLES 1 29.5112 -27.796 16.34 CTL2 5460 5464 5465 5466 - 1.800000e-015466 5464 H10 SLES 1 28.9411 -28.3117 17.1593 HAL2 5463 0 0 0 9.000000e-025467 5465 H10 SLES 1 29.2475 -28.3238 15.3833 HAL2 5463 0 0 0 9.000000e-025468 5466 C11 SLES 1 28.9915 -26.3987 16.2406 CTL2 5463 5467 5468 5469 - 1.800000e-015469 5467 H11 SLES 1 29.2355 -25.8849 17.1995 HAL2 5466 0 0 0 9.000000e-025470 5468 H11 SLES 1 29.5442 -25.8969 15.4129 HAL2 5466 0 0 0 9.000000e-025471 5469 C12 SLES 1 27.4828 -26.437 15.9811 CTL3 5466 5470 5471 5472 - 2.700000e-015472 5470 H12 SLES 1 26.9423 -25.9418 16.811 HAL3 5469 0 0 0 9.000000e-025473 5471 H12 SLES 1 27.2522 -25.9541 15.0116 HAL3 5469 0 0 0 9.000000e-025474 5472 H12 SLES 1 27.0873 -27.4807 15.9196 HAL3 5469 0 0 0 9.000000e-025475 5473 NA SLES 1 54.2695 -27.5025 18.6977 NA 0 0 0 0 1 .000000e+005476 5474 S SLES 1 51.9655 -29.4452 19.0006 SL 5475 5476 5477 5478 1.33 0000e+005477 5475 OS1 SLES 1 51.3312 -28.1504 18.6999 OSL 5474 5479 0 0 - 2.800000e-015478 5476 OS2 SLES 1 52.6357 -28.8818 20.1512 O2L 5474 0 0 0 - 6.500000e-015479 5477 OS3 SLES 1 52.7183 -29.3961 17.7684 O2L 5474 0 0 0 - 6.500000e-015480 5478 OS4 SLES 1 50.905 -30.3983 19.1706 O2L 5474 0 0 0 - 6.500000e-015481 5479 C2 SLES 1 49.9944 -27.8792 18.5558 CC32A 5475 5480 5481 5482 - 1.100000e-015482 5480 H2A SLES 1 49.4361 -28.1196 19.4989 HCA2 5479 0 0 0 9.000000e-025483 5481 H2B SLES 1 49.558 -28.4579 17.699 HCA2 5479 0 0 0 9.000000e-025484 5482 C1 SLES 1 50.0016 -26.3613 18.2734 CC32A 5479 5483 5484 5485 - 1.000000e-025485 5483 H1B SLES 1 50.4693 -25.798 19.1221 HCA2 5482 0 0 0 9.000000e-025486 5484 H1A SLES 1 50.5681 -26.1335 17.3373 HCA2 5482 0 0 0 9.000000e-025487 5485 O1 SLES 1 48.7877 -25.7125 18.0748 OC30A 5482 5486 0 0 - 3.400000e-015488 5486 C2 SLES 1 47.6013 -26.4802 18.1635 CC32A 5485 5487 5488 5489 - 1.000000e-025489 5487 H2A SLES 1 47.5131 -26.9518 19.1839 HCA2 5486 0 0 0 9.000000e-025490 5488 H2B SLES 1 47.5858 -27.2911 17.3981 HCA2 5486 0 0 0 9.000000e-025491 5489 C1 SLES 1 46.815 -25.127 18.0168 CC32A 5486 5490 5491 5492 - 1.000000e-025492 5490 H1B SLES 1 46.3534 -25.2812 19.0011 HCA2 5489 0 0 0 9.000000e-025493 5491 H1A SLES 1 46.4929 -25.6395 17.039 HCA2 5489 0 0 0 9.000000e-025494 5492 O1 SLES 1 45.8677 -24.193 17.5672 OC30A 5489 5493 0 0 - 3.400000e-015495 5493 C1 SLES 1 44.4915 -24.5266 17.6801 CTL2 5492 5494 5495 5496 - 1.800000e-015496 5494 H11 SLES 1 44.1629 -24.9393 18.6746 HAL2 5493 0 0 0 9.000000e-025497 5495 H12 SLES 1 44.2078 -25.28 16.9027 HAL2 5493 0 0 0 9.000000e-025498 5496 C2 SLES 1 43.8837 -23.1513 17.4076 CTL2 5493 5497 5498 5499 - 1.800000e-015499 5497 H21 SLES 1 44.1065 -22.4006 18.2034 HAL2 5496 0 0 0 9.000000e-025500 5498 H22 SLES 1 44.1814 -22.7291 16.4169 HAL2 5496 0 0 0 9.000000e-025501 5499 C3 SLES 1 42.4348 -23.4279 17.3933 CTL2 5496 5500 5501 5502 - 1.800000e-015502 5500 H31 SLES 1 42.2116 -23.8487 18.4114 HAL2 5499 0 0 0 9.000000e-025503 5501 H32 SLES 1 42.2933 -24.1898 16.5776 HAL2 5499 0 0 0 9.000000e-025504 5502 C4 SLES 1 41.44 -22.3412 17.1435 CTL2 5499 5503 5504 5505 - 1.800000e-015505 5503 H41 SLES 1 41.5113 -21.5381 17.9179 HAL2 5502 0 0 0 9.000000e-025506 5504 H42 SLES 1 41.5934 -21.8709 16.1439 HAL2 5502 0 0 0 9.000000e-025507 5505 C5 SLES 1 40.1654 -23.19 17.2438 CTL2 5502 5506 5507 5508 - 1.800000e-015508 5506 H51 SLES 1 40.1064 -23.6946 18.2448 HAL2 5505 0 0 0 9.000000e-025509 5507 H52 SLES 1 40.1872 -24.0221 16.4918 HAL2 5505 0 0 0 9.000000e-025510 5508 C6 SLES 1 38.8853 -22.4978 17.0555 CTL2 5505 5509 5510 5511 - 1.800000e-015511 5509 H61 SLES 1 38.2778 -22.7046 17.978 HAL2 5508 0 0 0 9.000000e-025512 5510 H62 SLES 1 38.3587 -23.0327 16.2201 HAL2 5508 0 0 0 9.000000e-025513 5511 C7 SLES 1 38.9462 -20.9911 16.7763 CTL2 5508 5512 5513 5514 - 1.800000e-015514 5512 H71 SLES 1 39.388 -20.3933 17.6082 HAL2 5511 0 0 0 9.000000e-025515 5513 H72 SLES 1 39.4697 -20.7258 15.8285 HAL2 5511 0 0 0 9.000000e-025516 5514 C8 SLES 1 37.4908 -20.716 16.6591 CTL2 5511 5515 5516 5517 - 1.800000e-015517 5515 H81 SLES 1 37.0296 -21.0272 17.6381 HAL2 5514 0 0 0 9.000000e-025518 5516 H82 SLES 1 37.1135 -21.3677 15.8204 HAL2 5514 0 0 0 9.000000e-025519 5517 C9 SLES 1 37.0038 -19.3373 16.3787 CTL2 5514 5518 5519 5520 - 1.800000e-015520 5518 H91 SLES 1 37.3246 -18.644 17.1881 HAL2 5517 0 0 0 9.000000e-025521 5519 H92 SLES 1 37.4064 -18.978 15.405 HAL2 5517 0 0 0 9.000000e-025522 5520 C10 SLES 1 35.4962 -19.5804 16.3549 CTL2 5517 5521 5522 5523 - 1.800000e-015523 5521 H10 SLES 1 35.1633 -20.0114 17.3376 HAL2 5520 0 0 0 9.000000e-025524 5522 H10 SLES 1 35.2447 -20.3424 15.5677 HAL2 5520 0 0 0 9.000000e-025525 5523 C11 SLES 1 34.6634 -18.3685 16.0897 CTL2 5520 5524 5525 5526 - 1.800000e-015526 5524 H11 SLES 1 34.8993 -17.6233 16.8847 HAL2 5523 0 0 0 9.000000e-025527 5525 H11 SLES 1 34.9817 -17.956 15.1043 HAL2 5523 0 0 0 9.000000e-025528 5526 C12 SLES 1 33.1831 -18.7603 16.0954 CTL3 5523 5527 5528 5529 - 2.700000e-015529 5527 H12 SLES 1 32.6496 -18.2163 16.8988 HAL3 5526 0 0 0 9.000000e-025530 5528 H12 SLES 1 32.7317 -18.5518 15.1058 HAL3 5526 0 0 0 9.000000e-025531 5529 H12 SLES 1 33.0315 -19.8502 16.2919 HAL3 5526 0 0 0 9.000000e-025532 5530 NA SLES 1 59.4324 -13.294 18.2032 NA 0 0 0 0 1 .000000e+005533 5531 S SLES 1 57.6465 -15.5345 19.1858 SL 5532 5533 5534 5535 1.33 0000e+005534 5532 OS1 SLES 1 56.7202 -14.5046 18.6852 OSL 5531 5536 0 0 - 2.800000e-015535 5533 OS2 SLES 1 58.2472 -14.5898 20.1009 O2L 5531 0 0 0 - 6.500000e-015536 5534 OS3 SLES 1 58.2872 -15.6283 17.8942 O2L 5531 0 0 0 - 6.500000e-015537 5535 OS4 SLES 1 56.8397 -16.6143 19.6806 O2L 5531 0 0 0 - 6.500000e-015538 5536 C2 SLES 1 55.3502 -14.5521 18.6405 CC32A 5532 5537 5538 5539 - 1.100000e-015539 5537 H2A SLES 1 54.9226 -14.6694 19.6712 HCA2 5536 0 0 0 9.000000e-025540 5538 H2B SLES 1 54.9994 -15.3941 17.9865 HCA2 5536 0 0 0 9.000000e-025541 5539 C1 SLES 1 54.9989 -13.176 18.035 CC32A 5536 5540 5541 5542 - 1.000000e-025542 5540 H1B SLES 1 55.383 -12.3443 18.6808 HCA2 5539 0 0 0 9.000000e-025543 5541 H1A SLES 1 55.4378 -13.0674 17.0128 HCA2 5539 0 0 0 9.000000e-025544 5542 O1 SLES 1 53.6603 -12.853 17.8409 OC30A 5539 5543 0 0 - 3.400000e-015545 5543 C2 SLES 1 52.6842 -13.8017 18.2309 CC32A 5542 5544 5545 5546 - 1.000000e-025546 5544 H2A SLES 1 52.7706 -14.0248 19.3328 HCA2 5543 0 0 0 9.000000e-025547 5545 H2B SLES 1 52.8008 -14.7571 17.6678 HCA2 5543 0 0 0 9.000000e-025548 5546 C1 SLES 1 51.6071 -12.7105 17.8844 CC32A 5543 5547 5548 5549 - 1.000000e-025549 5547 H1B SLES 1 51.257 -12.7164 18.9251 HCA2 5546 0 0 0 9.000000e-025550 5548 H1A SLES 1 51.3449 -13.4951 17.0856 HCA2 5546 0 0 0 9.000000e-025551 5549 O1 SLES 1 50.4475 -12.1222 17.3541 OC30A 5546 5550 0 0 - 3.400000e-015552 5550 C1 SLES 1 49.1913 -12.6912 17.6949 CTL2 5549 5551 5552 5553 - 1.800000e-015553 5551 H11 SLES 1 49.029 -12.9134 18.7865 HAL2 5550 0 0 0 9.000000e-025554 5552 H12 SLES 1 49.0333 -13.6493 17.1384 HAL2 5550 0 0 0 9.000000e-025555 5553 C2 SLES 1 48.2747 -11.5728 17.201 CTL2 5550 5554 5555 5556 - 1.800000e-015556 5554 H21 SLES 1 48.3752 -10.6252 17.7829 HAL2 5553 0 0 0 9.000000e-025557 5555 H22 SLES 1 48.4049 -11.347 16.1145 HAL2 5553 0 0 0 9.000000e-025558 5556 C3 SLES 1 46.9266 -12.1327 17.4144 CTL2 5553 5557 5558 5559 - 1.800000e-015559 5557 H31 SLES 1 46.8703 -12.3354 18.5185 HAL2 5556 0 0 0 9.000000e-025560 5558 H32 SLES 1 46.9064 -13.079 16.8062 HAL2 5556 0 0 0 9.000000e-025561 5559 C4 SLES 1 45.6997 -11.3614 17.05 CTL2 5556 5560 5561 5562 - 1.800000e-015562 5560 H41 SLES 1 45.6398 -10.3999 17.6172 HAL2 5559 0 0 0 9.000000e-025563 5561 H42 SLES 1 45.6783 -11.1212 15.9611 HAL2 5559 0 0 0 9.000000e-025564 5562 C5 SLES 1 44.6567 -12.4022 17.4791 CTL2 5559 5563 5564 5565 - 1.800000e-015565 5563 H51 SLES 1 44.7777 -12.6555 18.566 HAL2 5562 0 0 0 9.000000e-025566 5564 H52 SLES 1 44.8151 -13.367 16.9292 HAL2 5562 0 0 0 9.000000e-025567 5565 C6 SLES 1 43.2447 -12.0489 17.2932 CTL2 5562 5566 5567 5568 - 1.800000e-015568 5566 H61 SLES 1 42.7604 -12.1491 18.3023 HAL2 5565 0 0 0 9.000000e-025569 5567 H62 SLES 1 42.7979 -12.8625 16.6609 HAL2 5565 0 0 0 9.000000e-025570 5568 C7 SLES 1 42.9485 -10.6718 16.6871 CTL2 5565 5569 5570 5571 - 1.800000e-015571 5569 H71 SLES 1 43.2985 -9.81652 17.3121 HAL2 5568 0 0 0 9.000000e-025572 5570 H72 SLES 1 43.3363 -10.539 15.6504 HAL2 5568 0 0 0 9.000000e-025573 5571 C8 SLES 1 41.464 -10.7333 16.6812 CTL2 5568 5572 5573 5574 - 1.800000e-015574 5572 H81 SLES 1 41.149 -10.8896 17.751 HAL2 5571 0 0 0 9.000000e-025575 5573 H82 SLES 1 41.1881 -11.6282 16.054 HAL2 5571 0 0 0 9.000000e-025576 5574 C9 SLES 1 40.6634 -9.58899 16.165 CTL2 5571 5575 5576 5577 - 1.800000e-015577 5575 H91 SLES 1 40.873 -8.67295 16.7613 HAL2 5574 0 0 0 9.000000e-025578 5576 H92 SLES 1 40.911 -9.39768 15.0966 HAL2 5574 0 0 0 9.000000e-025579 5577 C10 SLES 1 39.2503 -10.1312 16.3686 CTL2 5574 5578 5579 5580 - 1.800000e-015580 5578 H10 SLES 1 39.0871 -10.3744 17.4533 HAL2 5577 0 0 0 9.000000e-025581 5579 H10 SLES 1 39.1249 -11.0932 15.8009 HAL2 5577 0 0 0 9.000000e-025582 5580 C11 SLES 1 38.1519 -9.21188 15.9434 CTL2 5577 5581 5582 5583 - 1.800000e-015583 5581 H11 SLES 1 38.2663 -8.26711 16.5242 HAL2 5580 0 0 0 9.000000e-025584 5582 H11 SLES 1 38.3047 -8.98988 14.8618 HAL2 5580 0 0 0 9.000000e-025585 5583 C12 SLES 1 36.8004 -9.88281 16.2049 CTL3 5580 5584 5585 5586 - 2.700000e-015586 5584 H12 SLES 1 36.2123 -9.28312 16.9264 HAL3 5583 0 0 0 9.000000e-025587 5585 H12 SLES 1 36.2502 -10.0115 15.2524 HAL3 5583 0 0 0 9.000000e-025588 5586 H12 SLES 1 36.9098 -10.9021 16.6504 HAL3 5583 0 0 0 9.000000e-025589 5587 NA SLES 1 60.603 1.64418 1.75877 NA 0 0 0 0 1 .000000e+005590 5588 S SLES 1 59.8049 -0.607557 3.62075 SL 5589 5590 5591 5592 1.33 0000e+005591 5589 OS1 SLES 1 58.5378 0.0495181 3.25739 OSL 5588 5593 0 0 - 2.800000e-015592 5590 OS2 SLES 1 60.3387 0.637759 4.12559 O2L 5588 0 0 0 - 6.500000e-015593 5591 OS3 SLES 1 60.0959 -0.880562 2.2322 O2L 5588 0 0 0 - 6.500000e-015594 5592 OS4 SLES 1 59.4757 -1.67631 4.52144 O2L 5588 0 0 0 - 6.500000e-015595 5593 C2 SLES 1 57.2679 -0.293442 3.64593 CC32A 5589 5594 5595 5596 - 1.100000e-015596 5594 H2A SLES 1 57.1656 -0.239842 4.76199 HCA2 5593 0 0 0 9.000000e-025597 5595 H2B SLES 1 57.0046 -1.32482 3.29028 HCA2 5593 0 0 0 9.000000e-025598 5596 C1 SLES 1 56.4137 0.785828 2.94656 CC32A 5593 5597 5598 5599 - 1.000000e-025599 5597 H1B SLES 1 56.7086 1.81251 3.28614 HCA2 5596 0 0 0 9.000000e-025600 5598 H1A SLES 1 56.531 0.728524 1.83653 HCA2 5596 0 0 0 9.000000e-025601 5599 O1 SLES 1 55.0341 0.763312 3.1208 OC30A 5596 5600 0 0 - 3.400000e-015602 5600 C2 SLES 1 54.4855 -0.242648 3.95261 CC32A 5599 5601 5602 5603 - 1.000000e-025603 5601 H2A SLES 1 54.907 -0.164001 4.9955 HCA2 5600 0 0 0 9.000000e-025604 5602 H2B SLES 1 54.7099 -1.26114 3.55777 HCA2 5600 0 0 0 9.000000e-025605 5603 C1 SLES 1 53.1011 0.478817 3.76898 CC32A 5600 5604 5605 5606 - 1.000000e-025606 5604 H1B SLES 1 53.043 0.65649 4.85096 HCA2 5603 0 0 0 9.000000e-025607 5605 H1A SLES 1 52.8675 -0.515444 3.24054 HCA2 5603 0 0 0 9.000000e-025608 5606 O1 SLES 1 51.73 0.661847 3.52716 OC30A 5603 5607 0 0 - 3.400000e-015609 5607 C1 SLES 1 50.8056 -0.0556061 4.3326 CTL2 5606 5608 5609 5610 - 1.800000e-015610 5608 H11 SLES 1 50.9935 -0.0306716 5.44226 HAL2 5607 0 0 0 9.000000e-025611 5609 H12 SLES 1 50.7777 -1.13244 4.02906 HAL2 5607 0 0 0 9.000000e-025612 5610 C2 SLES 1 49.5252 0.688909 3.95691 CTL2 5607 5611 5612 5613 - 1.800000e-015613 5611 H21 SLES 1 49.5092 1.75006 4.30381 HAL2 5610 0 0 0 9.000000e-025614 5612 H22 SLES 1 49.308 0.661981 2.86127 HAL2 5610 0 0 0 9.000000e-025615 5613 C3 SLES 1 48.4807 -0.0705721 4.66997 CTL2 5610 5614 5615 5616 - 1.800000e-015616 5614 H31 SLES 1 48.7648 -0.00200562 5.75531 HAL2 5613 0 0 0 9.000000e-025617 5615 H32 SLES 1 48.5642 -1.1202 4.27361 HAL2 5613 0 0 0 9.000000e-025618 5616 C4 SLES 1 47.0396 0.312422 4.57193 CTL2 5613 5617 5618 5619 - 1.800000e-015619 5617 H41 SLES 1 46.8672 1.34952 4.952 HAL2 5616 0 0 0 9.000000e-025620 5618 H42 SLES 1 46.6771 0.266707 3.51817 HAL2 5616 0 0 0 9.000000e-025621 5619 C5 SLES 1 46.4639 -0.785032 5.47709 CTL2 5616 5620 5621 5622 - 1.800000e-015622 5620 H51 SLES 1 46.9219 -0.731426 6.50053 HAL2 5619 0 0 0 9.000000e-025623 5621 H52 SLES 1 46.7331 -1.8004 5.08338 HAL2 5619 0 0 0 9.000000e-025624 5622 C6 SLES 1 45.0101 -0.792326 5.67622 CTL2 5619 5623 5624 5625 - 1.800000e-015625 5623 H61 SLES 1 44.845 -0.739757 6.78656 HAL2 5622 0 0 0 9.000000e-025626 5624 H62 SLES 1 44.6555 -1.81162 5.3654 HAL2 5622 0 0 0 9.000000e-025627 5625 C7 SLES 1 44.2066 0.29928 4.95913 CTL2 5622 5626 5627 5628 - 1.800000e-015628 5626 H71 SLES 1 44.4582 1.33595 5.28562 HAL2 5625 0 0 0 9.000000e-025629 5627 H72 SLES 1 44.2663 0.250531 3.84702 HAL2 5625 0 0 0 9.000000e-025630 5628 C8 SLES 1 42.8441 -0.0712677 5.42178 CTL2 5625 5629 5630 5631 - 1.800000e-015631 5629 H81 SLES 1 42.8668 -0.0213796 6.54656 HAL2 5628 0 0 0 9.000000e-025632 5630 H82 SLES 1 42.6716 -1.13052 5.07731 HAL2 5628 0 0 0 9.000000e-025633 5631 C9 SLES 1 41.6587 0.716524 4.9849 CTL2 5628 5632 5633 5634 - 1.800000e-015634 5632 H91 SLES 1 41.7562 1.77424 5.31719 HAL2 5631 0 0 0 9.000000e-025635 5633 H92 SLES 1 41.5642 0.685989 3.87614 HAL2 5631 0 0 0 9.000000e-025636 5634 C10 SLES 1 40.5465 -0.0423176 5.70584 CTL2 5631 5635 5636 5637 - 1.800000e-015637 5635 H10 SLES 1 40.7375 -0.0391775 6.81297 HAL2 5634 0 0 0 9.000000e-025638 5636 H10 SLES 1 40.547 -1.11881 5.3824 HAL2 5634 0 0 0 9.000000e-025639 5637 C11 SLES 1 39.1689 0.492708 5.48524 CTL2 5634 5638 5639 5640 - 1.800000e-015640 5638 H11 SLES 1 39.1664 1.55386 5.82731 HAL2 5637 0 0 0 9.000000e-025641 5639 H11 SLES 1 38.9749 0.468091 4.38787 HAL2 5637 0 0 0 9.000000e-025642 5640 C12 SLES 1 38.1637 -0.360704 6.2638 CTL3 5637 5641 5642 5643 - 2.700000e-015643 5641 H12 SLES 1 37.6388 0.261463 7.01441 HAL3 5640 0 0 0 9.000000e-025644 5642 H12 SLES 1 37.4455 -0.832578 5.56533 HAL3 5640 0 0 0 9.000000e-025645 5643 H12 SLES 1 38.6557 -1.19245 6.82556 HAL3 5640 0 0 0 9.000000e-025646 5644 NA SLES 1 58.3337 16.3003 1.39237 NA 0 0 0 0 1 .000000e+005647 5645 S SLES 1 58.0592 14.4253 3.75529 SL 5646 5647 5648 5649 1.33 0000e+005648 5646 OS1 SLES 1 56.6876 14.5953 3.24629 OSL 5645 5650 0 0 - 2.800000e-015649 5647 OS2 SLES 1 58.1996 15.8531 3.93532 O2L 5645 0 0 0 - 6.500000e-015650 5648 OS3 SLES 1 58.5035 13.9227 2.47575 O2L 5645 0 0 0 - 6.500000e-015651 5649 OS4 SLES 1 57.9754 13.5533 4.89302 O2L 5645 0 0 0 - 6.500000e-015652 5650 C2 SLES 1 55.5365 14.0131 3.71256 CC32A 5646 5651 5652 5653 - 1.100000e-015653 5651 H2A SLES 1 55.3509 14.2997 4.78135 HCA2 5650 0 0 0 9.000000e-025654 5652 H2B SLES 1 55.5879 12.8955 3.62326 HCA2 5650 0 0 0 9.000000e-025655 5653 C1 SLES 1 54.4683 14.6114 2.77215 CC32A 5650 5654 5655 5656 - 1.000000e-025656 5654 H1B SLES 1 54.4496 15.7297 2.8469 HCA2 5653 0 0 0 9.000000e-025657 5655 H1A SLES 1 54.6689 14.327 1.71005 HCA2 5653 0 0 0 9.000000e-025658 5656 O1 SLES 1 53.1386 14.2456 2.95217 OC30A 5653 5657 0 0 - 3.400000e-015659 5657 C2 SLES 1 52.8316 13.3542 4.00855 CC32A 5656 5658 5659 5660 - 1.000000e-025660 5658 H2A SLES 1 53.1468 13.7934 4.99813 HCA2 5657 0 0 0 9.000000e-025661 5659 H2B SLES 1 53.3502 12.3759 3.87612 HCA2 5657 0 0 0 9.000000e-025662 5660 C1 SLES 1 51.3181 13.5939 3.65834 CC32A 5657 5661 5662 5663 - 1.000000e-025663 5661 H1B SLES 1 51.1433 14.0002 4.66334 HCA2 5660 0 0 0 9.000000e-025664 5662 H1A SLES 1 51.3991 12.4781 3.39231 HCA2 5660 0 0 0 9.000000e-025665 5663 O1 SLES 1 49.9678 13.3228 3.38443 OC30A 5660 5664 0 0 - 3.400000e-015666 5664 C1 SLES 1 49.2232 12.5882 4.34566 CTL2 5663 5665 5666 5667 - 1.800000e-015667 5665 H11 SLES 1 49.3244 12.9279 5.41414 HAL2 5664 0 0 0 9.000000e-025668 5666 H12 SLES 1 49.5095 11.5066 4.31711 HAL2 5664 0 0 0 9.000000e-025669 5667 C2 SLES 1 47.8158 12.8328 3.8032 CTL2 5664 5668 5669 5670 - 1.800000e-015670 5668 H21 SLES 1 47.4888 13.8978 3.87781 HAL2 5667 0 0 0 9.000000e-025671 5669 H22 SLES 1 47.6861 12.4864 2.74892 HAL2 5667 0 0 0 9.000000e-025672 5670 C3 SLES 1 46.9734 12.0035 4.68575 CTL2 5667 5671 5672 5673 - 1.800000e-015673 5671 H31 SLES 1 47.1566 12.4049 5.71951 HAL2 5670 0 0 0 9.000000e-025674 5672 H32 SLES 1 47.3652 10.9564 4.56009 HAL2 5670 0 0 0 9.000000e-025675 5673 C4 SLES 1 45.492 11.9329 4.50216 CTL2 5670 5674 5675 5676 - 1.800000e-015676 5674 H41 SLES 1 45.0193 12.9396 4.61549 HAL2 5673 0 0 0 9.000000e-025677 5675 H42 SLES 1 45.2253 11.5383 3.49369 HAL2 5673 0 0 0 9.000000e-025678 5676 C5 SLES 1 45.1792 10.9663 5.6523 CTL2 5673 5677 5678 5679 - 1.800000e-015679 5677 H51 SLES 1 45.5374 11.3877 6.62905 HAL2 5676 0 0 0 9.000000e-025680 5678 H52 SLES 1 45.7398 10.0036 5.52001 HAL2 5676 0 0 0 9.000000e-025681 5679 C6 SLES 1 43.7725 10.5998 5.85299 CTL2 5676 5680 5681 5682 - 1.800000e-015682 5680 H61 SLES 1 43.5273 10.8665 6.91675 HAL2 5679 0 0 0 9.000000e-025683 5681 H62 SLES 1 43.73 9.47854 5.80453 HAL2 5679 0 0 0 9.000000e-025684 5682 C7 SLES 1 42.7507 11.2195 4.89216 CTL2 5679 5683 5684 5685 - 1.800000e-015685 5683 H71 SLES 1 42.6886 12.3318 4.95195 HAL2 5682 0 0 0 9.000000e-025686 5684 H72 SLES 1 42.8938 10.9264 3.82617 HAL2 5682 0 0 0 9.000000e-025687 5685 C8 SLES 1 41.5135 10.6034 5.43743 CTL2 5682 5686 5687 5688 - 1.800000e-015688 5686 H81 SLES 1 41.4482 10.9237 6.51508 HAL2 5685 0 0 0 9.000000e-025689 5687 H82 SLES 1 41.6588 9.48803 5.36547 HAL2 5685 0 0 0 9.000000e-025690 5688 C9 SLES 1 40.1894 10.9003 4.82462 CTL2 5685 5689 5690 5691 - 1.800000e-015691 5689 H91 SLES 1 39.9733 11.9904 4.88545 HAL2 5688 0 0 0 9.000000e-025692 5690 H92 SLES 1 40.1794 10.5818 3.75801 HAL2 5688 0 0 0 9.000000e-025693 5691 C10 SLES 1 39.2813 10.0546 5.71491 CTL2 5688 5692 5693 5694 - 1.800000e-015694 5692 H10 SLES 1 39.3916 10.3743 6.78631 HAL2 5691 0 0 0 9.000000e-025695 5693 H10 SLES 1 39.596 8.97657 5.66689 HAL2 5691 0 0 0 9.000000e-025696 5694 C11 SLES 1 37.8276 10.114 5.37481 CTL2 5691 5695 5696 5697 - 1.800000e-015697 5695 H11 SLES 1 37.5138 11.1816 5.44469 HAL2 5694 0 0 0 9.000000e-025698 5696 H11 SLES 1 37.7196 9.77584 4.3182 HAL2 5694 0 0 0 9.000000e-025699 5697 C12 SLES 1 37.0442 9.22398 6.34384 CTL3 5694 5698 5699 5700 - 2.700000e-015700 5698 H12 SLES 1 36.3218 9.83415 6.92 HAL3 5697 0 0 0 9.000000e-025701 5699 H12 SLES 1 36.5287 8.41788 5.7862 HAL3 5697 0 0 0 9.000000e-025702 5700 H12 SLES 1 37.7063 8.72172 7.09132 HAL3 5697 0 0 0 9.000000e-025703 5701 NA SLES 1 52.6303 29.8897 1.12698 NA 0 0 0 0 1 .000000e+005704 5702 S SLES 1 52.5767 28.5661 3.85085 SL 5703 5704 5705 5706 1.33 0000e+005705 5703 OS1 SLES 1 51.2822 28.2225 3.23811 OSL 5702 5707 0 0 - 2.800000e-015706 5704 OS2 SLES 1 52.3098 29.9781 3.69096 O2L 5702 0 0 0 - 6.500000e-015707 5705 OS3 SLES 1 53.2917 27.9502 2.75687 O2L 5702 0 0 0 - 6.500000e-015708 5706 OS4 SLES 1 52.589 27.9714 5.15777 O2L 5702 0 0 0 - 6.500000e-015709 5707 C2 SLES 1 50.279 27.4487 3.76355 CC32A 5703 5708 5709 5710 - 1.100000e-015710 5708 H2A SLES 1 49.8946 27.892 4.71995 HCA2 5707 0 0 0 9.000000e-025711 5709 H2B SLES 1 50.6358 26.4008 3.94798 HCA2 5707 0 0 0 9.000000e-025712 5710 C1 SLES 1 49.2136 27.4998 2.64739 CC32A 5707 5711 5712 5713 - 1.000000e-025713 5711 H1B SLES 1 48.8896 28.5546 2.45059 HCA2 5710 0 0 0 9.000000e-025714 5712 H1A SLES 1 49.611 27.0643 1.69782 HCA2 5710 0 0 0 9.000000e-025715 5713 O1 SLES 1 48.0172 26.8155 2.83328 OC30A 5710 5714 0 0 - 3.400000e-015716 5714 C2 SLES 1 47.8311 26.1213 4.05321 CC32A 5713 5715 5716 5717 - 1.000000e-025717 5715 H2A SLES 1 47.8948 26.8336 4.92499 HCA2 5714 0 0 0 9.000000e-025718 5716 H2B SLES 1 48.6031 25.3281 4.18925 HCA2 5714 0 0 0 9.000000e-025719 5717 C1 SLES 1 46.363 25.8362 3.56948 CC32A 5714 5718 5719 5720 - 1.000000e-025720 5718 H1B SLES 1 45.9649 26.3806 4.43598 HCA2 5717 0 0 0 9.000000e-025721 5719 H1A SLES 1 46.7693 24.7605 3.58392 HCA2 5717 0 0 0 9.000000e-025722 5720 O1 SLES 1 45.1772 25.1371 3.29159 OC30A 5717 5721 0 0 - 3.400000e-015723 5721 C1 SLES 1 44.5427 24.4435 4.35657 CTL2 5720 5722 5723 5724 - 1.800000e-015724 5722 H11 SLES 1 44.4185 25.0185 5.3164 HAL2 5721 0 0 0 9.000000e-025725 5723 H12 SLES 1 45.1071 23.5096 4.60471 HAL2 5721 0 0 0 9.000000e-025726 5724 C2 SLES 1 43.1981 24.1522 3.69145 CTL2 5721 5725 5726 5727 - 1.800000e-015727 5725 H21 SLES 1 42.5935 25.0689 3.48959 HAL2 5724 0 0 0 9.000000e-025728 5726 H22 SLES 1 43.2951 23.5658 2.74537 HAL2 5724 0 0 0 9.000000e-025729 5727 C3 SLES 1 42.5048 23.3253 4.69728 CTL2 5724 5728 5729 5730 - 1.800000e-015730 5728 H31 SLES 1 42.4469 23.974 5.61337 HAL2 5727 0 0 0 9.000000e-025731 5729 H32 SLES 1 43.173 22.433 4.84912 HAL2 5727 0 0 0 9.000000e-025732 5730 C4 SLES 1 41.1294 22.7953 4.4513 CTL2 5727 5731 5732 5733 - 1.800000e-015733 5731 H41 SLES 1 40.3961 23.6241 4.29257 HAL2 5730 0 0 0 9.000000e-025734 5732 H42 SLES 1 41.1025 22.1345 3.5533 HAL2 5730 0 0 0 9.000000e-025735 5733 C5 SLES 1 40.9463 22.0492 5.7798 CTL2 5730 5734 5735 5736 - 1.800000e-015736 5734 H51 SLES 1 41.0574 22.7546 6.64587 HAL2 5733 0 0 0 9.000000e-025737 5735 H52 SLES 1 41.7542 21.2827 5.91463 HAL2 5733 0 0 0 9.000000e-025738 5736 C6 SLES 1 39.6739 21.3467 5.98148 CTL2 5733 5737 5738 5739 - 1.800000e-015739 5737 H61 SLES 1 39.2383 21.7531 6.93435 HAL2 5736 0 0 0 9.000000e-025740 5738 H62 SLES 1 39.9369 20.2771 6.20097 HAL2 5736 0 0 0 9.000000e-025741 5739 C7 SLES 1 38.6496 21.4266 4.84305 CTL2 5736 5740 5741 5742 - 1.800000e-015742 5740 H71 SLES 1 38.2876 22.4603 4.63067 HAL2 5739 0 0 0 9.000000e-025743 5741 H72 SLES 1 38.9948 20.9658 3.88849 HAL2 5739 0 0 0 9.000000e-025744 5742 C8 SLES 1 37.5634 20.6134 5.44824 CTL2 5739 5743 5744 5745 - 1.800000e-015745 5743 H81 SLES 1 37.2841 21.1244 6.41207 HAL2 5742 0 0 0 9.000000e-025746 5744 H82 SLES 1 38.0074 19.5981 5.65435 HAL2 5742 0 0 0 9.000000e-025747 5745 C9 SLES 1 36.2934 20.3797 4.70718 CTL2 5742 5746 5747 5748 - 1.800000e-015748 5746 H91 SLES 1 35.7897 21.3487 4.4923 HAL2 5745 0 0 0 9.000000e-025749 5747 H92 SLES 1 36.4989 19.8511 3.74933 HAL2 5745 0 0 0 9.000000e-025750 5748 C10 SLES 1 35.5406 19.5202 5.72071 CTL2 5745 5749 5750 5751 - 1.800000e-015751 5749 H10 SLES 1 35.4301 20.0798 6.68868 HAL2 5748 0 0 0 9.000000e-025752 5750 H10 SLES 1 36.1338 18.5936 5.95076 HAL2 5748 0 0 0 9.000000e-025753 5751 C11 SLES 1 34.1763 19.0861 5.29344 CTL2 5748 5752 5753 5754 - 1.800000e-015754 5752 H11 SLES 1 33.5841 20.008 5.08712 HAL2 5751 0 0 0 9.000000e-025755 5753 H11 SLES 1 34.2921 18.5131 4.34437 HAL2 5751 0 0 0 9.000000e-025756 5754 C12 SLES 1 33.545 18.2378 6.40105 CTL3 5751 5755 5756 5757 - 2.700000e-015757 5755 H12 SLES 1 32.6216 18.7239 6.77163 HAL3 5754 0 0 0 9.000000e-025758 5756 H12 SLES 1 33.3343 17.2179 6.02438 HAL3 5754 0 0 0 9.000000e-025759 5757 H12 SLES 1 34.2201 18.1187 7.2839 HAL3 5754 0 0 0 9.000000e-025760 5758 NA SLES 1 43.869 41.6643 0.979275 NA 0 0 0 0 1 .000000e+005761 5759 S SLES 1 43.6964 40.8862 3.90143 SL 5760 5761 5762 5763 1.33 0000e+005762 5760 OS1 SLES 1 42.6619 40.0782 3.23336 OSL 5759 5764 0 0 - 2.800000e-015763 5761 OS2 SLES 1 43.1011 42.1079 3.40786 O2L 5759 0 0 0 - 6.500000e-015764 5762 OS3 SLES 1 44.7244 40.3215 3.05789 O2L 5759 0 0 0 - 6.500000e-015765 5763 OS4 SLES 1 43.6391 40.5619 5.29906 O2L 5759 0 0 0 - 6.500000e-015766 5764 C2 SLES 1 41.8212 39.1519 3.7957 CC32A 5760 5765 5766 5767 - 1.100000e-015767 5765 H2A SLES 1 41.1759 39.626 4.58163 HCA2 5764 0 0 0 9.000000e-025768 5766 H2B SLES 1 42.4024 38.3029 4.24402 HCA2 5764 0 0 0 9.000000e-025769 5767 C1 SLES 1 40.9876 38.6925 2.58012 CC32A 5764 5768 5769 5770 - 1.000000e-025770 5768 H1B SLES 1 40.4378 39.5552 2.12209 HCA2 5767 0 0 0 9.000000e-025771 5769 H1A SLES 1 41.6419 38.2306 1.80059 HCA2 5767 0 0 0 9.000000e-025772 5770 O1 SLES 1 39.9982 37.734 2.7716 OC30A 5767 5771 0 0 - 3.400000e-015773 5771 C2 SLES 1 39.7935 37.243 4.08379 CC32A 5770 5772 5773 5774 - 1.000000e-025774 5772 H2A SLES 1 39.518 38.0856 4.78067 HCA2 5771 0 0 0 9.000000e-025775 5773 H2B SLES 1 40.7107 36.7457 4.47751 HCA2 5771 0 0 0 9.000000e-025776 5774 C1 SLES 1 38.5566 36.4623 3.50799 CC32A 5771 5775 5776 5777 - 1.000000e-025777 5775 H1B SLES 1 37.8874 37.0118 4.18317 HCA2 5774 0 0 0 9.000000e-025778 5776 H1A SLES 1 39.2213 35.5716 3.80332 HCA2 5774 0 0 0 9.000000e-025779 5777 O1 SLES 1 37.6609 35.411 3.25446 OC30A 5774 5778 0 0 - 3.400000e-015780 5778 C1 SLES 1 37.0566 34.7627 4.36467 CTL2 5777 5779 5780 5781 - 1.800000e-015781 5779 H11 SLES 1 36.6235 35.4371 5.15519 HAL2 5778 0 0 0 9.000000e-025782 5780 H12 SLES 1 37.7944 34.0926 4.87381 HAL2 5778 0 0 0 9.000000e-025783 5781 C2 SLES 1 35.97 33.9801 3.62868 CTL2 5778 5782 5783 5784 - 1.800000e-015784 5782 H21 SLES 1 35.1907 34.6304 3.16353 HAL2 5781 0 0 0 9.000000e-025785 5783 H22 SLES 1 36.3779 33.2895 2.85083 HAL2 5781 0 0 0 9.000000e-025786 5784 C3 SLES 1 35.3549 33.1789 4.70386 CTL2 5781 5785 5786 5787 - 1.800000e-015787 5785 H31 SLES 1 34.973 33.9341 5.44355 HAL2 5784 0 0 0 9.000000e-025788 5786 H32 SLES 1 36.1969 32.5611 5.12254 HAL2 5784 0 0 0 9.000000e-025789 5787 C4 SLES 1 34.2294 32.237 4.42255 CTL2 5784 5788 5789 5790 - 1.800000e-015790 5788 H41 SLES 1 33.3435 32.7749 4.00354 HAL2 5787 0 0 0 9.000000e-025791 5789 H42 SLES 1 34.5309 31.4489 3.69326 HAL2 5787 0 0 0 9.000000e-025792 5790 C5 SLES 1 34.0224 31.7173 5.85158 CTL2 5787 5791 5792 5793 - 1.800000e-015793 5791 H51 SLES 1 33.7948 32.5662 6.54992 HAL2 5790 0 0 0 9.000000e-025794 5792 H52 SLES 1 34.967 31.2554 6.24245 HAL2 5790 0 0 0 9.000000e-025795 5793 C6 SLES 1 32.9629 30.7223 6.05361 CTL2 5790 5794 5795 5796 - 1.800000e-015796 5794 H61 SLES 1 32.2793 31.1465 6.83825 HAL2 5793 0 0 0 9.000000e-025797 5795 H62 SLES 1 33.4547 29.832 6.52982 HAL2 5793 0 0 0 9.000000e-025798 5796 C7 SLES 1 32.1647 30.2982 4.81488 CTL2 5793 5797 5798 5799 - 1.800000e-015799 5797 H71 SLES 1 31.587 31.1272 4.34199 HAL2 5796 0 0 0 9.000000e-025800 5798 H72 SLES 1 32.777 29.7963 4.03004 HAL2 5796 0 0 0 9.000000e-025801 5799 C8 SLES 1 31.2417 29.3247 5.45354 CTL2 5796 5800 5801 5802 - 1.800000e-015802 5800 H81 SLES 1 30.6773 29.8945 6.24401 HAL2 5799 0 0 0 9.000000e-025803 5801 H82 SLES 1 31.8935 28.5356 5.92581 HAL2 5799 0 0 0 9.000000e-025804 5802 C9 SLES 1 30.2237 28.6045 4.63997 CTL2 5799 5803 5804 5805 - 1.800000e-015805 5803 H91 SLES 1 29.5289 29.331 4.16244 HAL2 5802 0 0 0 9.000000e-025806 5804 H92 SLES 1 30.7217 27.9977 3.85063 HAL2 5802 0 0 0 9.000000e-025807 5805 C10 SLES 1 29.5595 27.7567 5.72287 CTL2 5802 5806 5807 5808 - 1.800000e-015808 5806 H10 SLES 1 29.1419 28.422 6.52622 HAL2 5805 0 0 0 9.000000e-025809 5807 H10 SLES 1 30.3256 27.0987 6.21619 HAL2 5805 0 0 0 9.000000e-025810 5808 C11 SLES 1 28.4505 26.8761 5.24624 CTL2 5805 5809 5810 5811 - 1.800000e-015811 5809 H11 SLES 1 27.6825 27.5342 4.77707 HAL2 5808 0 0 0 9.000000e-025812 5810 H11 SLES 1 28.8733 26.2031 4.46474 HAL2 5808 0 0 0 9.000000e-025813 5811 C12 SLES 1 27.8824 26.0909 6.43184 CTL3 5808 5812 5813 5814 - 2.700000e-015814 5812 H12 SLES 1 26.8147 26.3449 6.57863 HAL3 5811 0 0 0 9.000000e-025815 5813 H12 SLES 1 28.0137 25.004 6.2649 HAL3 5811 0 0 0 9.000000e-025816 5814 H12 SLES 1 28.4032 26.3315 7.39118 HAL3 5811 0 0 0 9.000000e-025817 5815 NA SLES 1 32.5649 50.9855 0.958539 NA 0 0 0 0 1 .000000e+005818 5816 S SLES 1 31.9906 50.5736 3.90385 SL 5817 5818 5819 5820 1.33 0000e+005819 5817 OS1 SLES 1 31.3674 49.4204 3.23235 OSL 5816 5821 0 0 - 2.800000e-015820 5818 OS2 SLES 1 31.2147 51.4948 3.10382 O2L 5816 0 0 0 - 6.500000e-015821 5819 OS3 SLES 1 33.284 50.2292 3.3599 O2L 5816 0 0 0 - 6.500000e-015822 5820 OS4 SLES 1 31.7273 50.4294 5.30802 O2L 5816 0 0 0 - 6.500000e-015823 5821 C2 SLES 1 30.6988 48.3697 3.80698 CC32A 5817 5822 5823 5824 - 1.100000e-015824 5822 H2A SLES 1 29.8017 48.7323 4.3751 HCA2 5821 0 0 0 9.000000e-025825 5823 H2B SLES 1 31.3736 47.792 4.4928 HCA2 5821 0 0 0 9.000000e-025826 5824 C1 SLES 1 30.289 47.535 2.57456 CC32A 5821 5825 5826 5827 - 1.000000e-025827 5825 H1B SLES 1 29.6422 48.1337 1.88205 HCA2 5824 0 0 0 9.000000e-025828 5826 H1A SLES 1 31.19 47.1874 2.01192 HCA2 5824 0 0 0 9.000000e-025829 5827 O1 SLES 1 29.5667 46.3628 2.77101 OC30A 5824 5828 0 0 - 3.400000e-015830 5828 C2 SLES 1 29.226 46.0066 4.09835 CC32A 5827 5829 5830 5831 - 1.000000e-025831 5829 H2A SLES 1 28.5999 46.8147 4.57425 HCA2 5828 0 0 0 9.000000e-025832 5830 H2B SLES 1 30.1371 45.8531 4.72276 HCA2 5828 0 0 0 9.000000e-025833 5831 C1 SLES 1 28.3855 44.8321 3.47772 CC32A 5828 5832 5833 5834 - 1.000000e-025834 5832 H1B SLES 1 27.4696 45.2449 3.9208 HCA2 5831 0 0 0 9.000000e-025835 5833 H1A SLES 1 29.1821 44.2195 4.03672 HCA2 5831 0 0 0 9.000000e-025836 5834 O1 SLES 1 27.8693 43.542 3.27538 OC30A 5831 5835 0 0 - 3.400000e-015837 5835 C1 SLES 1 27.2357 42.8943 4.36944 CTL2 5834 5836 5837 5838 - 1.800000e-015838 5836 H11 SLES 1 26.4854 43.5091 4.94064 HAL2 5835 0 0 0 9.000000e-025839 5837 H12 SLES 1 27.9986 42.5395 5.10749 HAL2 5835 0 0 0 9.000000e-025840 5838 C2 SLES 1 26.571 41.7411 3.61883 CTL2 5835 5839 5840 5841 - 1.800000e-015841 5839 H21 SLES 1 25.7649 42.0707 2.92012 HAL2 5838 0 0 0 9.000000e-025842 5840 H22 SLES 1 27.2992 41.1052 3.05869 HAL2 5838 0 0 0 9.000000e-025843 5841 C3 SLES 1 25.9745 40.9408 4.70506 CTL2 5838 5842 5843 5844 - 1.800000e-015844 5842 H31 SLES 1 25.262 41.6407 5.22074 HAL2 5841 0 0 0 9.000000e-025845 5843 H32 SLES 1 26.8409 40.6543 5.36317 HAL2 5841 0 0 0 9.000000e-025846 5844 C4 SLES 1 25.2191 39.6839 4.41771 CTL2 5841 5845 5846 5847 - 1.800000e-015847 5845 H41 SLES 1 24.3322 39.8818 3.76656 HAL2 5844 0 0 0 9.000000e-025848 5846 H42 SLES 1 25.8622 38.9308 3.90478 HAL2 5844 0 0 0 9.000000e-025849 5847 C5 SLES 1 24.8591 39.3148 5.86314 CTL2 5844 5848 5849 5850 - 1.800000e-015850 5848 H51 SLES 1 24.2762 40.143 6.34723 HAL2 5847 0 0 0 9.000000e-025851 5849 H52 SLES 1 25.7873 39.2025 6.48287 HAL2 5847 0 0 0 9.000000e-025852 5850 C6 SLES 1 24.0781 38.089 6.06485 CTL2 5847 5851 5852 5853 - 1.800000e-015853 5851 H61 SLES 1 23.1583 38.3929 6.63449 HAL2 5850 0 0 0 9.000000e-025854 5852 H62 SLES 1 24.6736 37.4496 6.7704 HAL2 5850 0 0 0 9.000000e-025855 5853 C7 SLES 1 23.6973 37.295 4.80942 CTL2 5850 5854 5855 5856 - 1.800000e-015856 5854 H71 SLES 1 23.0361 37.8517 4.10403 HAL2 5853 0 0 0 9.000000e-025857 5855 H72 SLES 1 24.5702 36.8967 4.24195 HAL2 5853 0 0 0 9.000000e-025858 5856 C8 SLES 1 22.9474 36.1855 5.453 CTL2 5853 5857 5858 5859 - 1.800000e-015859 5857 H81 SLES 1 22.1007 36.6629 6.02146 HAL2 5856 0 0 0 9.000000e-025860 5858 H82 SLES 1 23.6681 35.6882 6.16277 HAL2 5856 0 0 0 9.000000e-025861 5859 C9 SLES 1 22.3475 35.1015 4.6272 CTL2 5856 5860 5861 5862 - 1.800000e-015862 5860 H91 SLES 1 21.6037 35.5264 3.9166 HAL2 5859 0 0 0 9.000000e-025863 5861 H92 SLES 1 23.141 34.5698 4.05556 HAL2 5859 0 0 0 9.000000e-025864 5862 C10 SLES 1 21.7151 34.2438 5.72124 CTL2 5859 5863 5864 5865 - 1.800000e-015865 5863 H10 SLES 1 20.9791 34.8561 6.30913 HAL2 5862 0 0 0 9.000000e-025866 5864 H10 SLES 1 22.5049 33.9066 6.44649 HAL2 5862 0 0 0 9.000000e-025867 5865 C11 SLES 1 21.0004 33.0246 5.23617 CTL2 5862 5866 5867 5868 - 1.800000e-015868 5866 H11 SLES 1 20.2037 33.3643 4.53402 HAL2 5865 0 0 0 9.000000e-025869 5867 H11 SLES 1 21.7388 32.4092 4.67176 HAL2 5865 0 0 0 9.000000e-025870 5868 C12 SLES 1 20.4207 32.2674 6.43427 CTL3 5865 5869 5870 5871 - 2.700000e-015871 5869 H12 SLES 1 19.3176 32.216 6.35312 HAL3 5868 0 0 0 9.000000e-025872 5870 H12 SLES 1 20.8632 31.2538 6.49264 HAL3 5868 0 0 0 9.000000e-025873 5871 H12 SLES 1 20.6467 32.7706 7.40643 HAL3 5868 0 0 0 9.000000e-025874 5872 NA SLES 1 19.3483 57.3392 1.06607 NA 0 0 0 0 1 .000000e+005875 5873 S SLES 1 18.2257 56.9935 3.85795 SL 5874 5875 5876 5877 1.33 0000e+005876 5874 OS1 SLES 1 18.106 55.6642 3.23513 OSL 5873 5878 0 0 - 2.800000e-015877 5875 OS2 SLES 1 17.4453 57.5918 2.79793 O2L 5873 0 0 0 - 6.500000e-015878 5876 OS3 SLES 1 19.6545 56.9978 3.64392 O2L 5873 0 0 0 - 6.500000e-015879 5877 OS4 SLES 1 17.6866 56.8814 5.18407 O2L 5873 0 0 0 - 6.500000e-015880 5878 C2 SLES 1 17.6229 54.5099 3.7967 CC32A 5874 5879 5880 5881 - 1.100000e-015881 5879 H2A SLES 1 16.5542 54.6389 4.11333 HCA2 5878 0 0 0 9.000000e-025882 5880 H2B SLES 1 18.245 54.2022 4.67867 HCA2 5878 0 0 0 9.000000e-025883 5881 C1 SLES 1 17.7508 53.5057 2.63107 CC32A 5878 5882 5883 5884 - 1.000000e-025884 5882 H1B SLES 1 17.151 53.841 1.74556 HCA2 5881 0 0 0 9.000000e-025885 5883 H1A SLES 1 18.8179 53.3926 2.31853 HCA2 5881 0 0 0 9.000000e-025886 5884 O1 SLES 1 17.3388 52.1926 2.83155 OC30A 5881 5885 0 0 - 3.400000e-015887 5885 C2 SLES 1 16.8013 51.8503 4.09598 CC32A 5884 5886 5887 5888 - 1.000000e-025888 5886 H2A SLES 1 15.8901 52.476 4.31868 HCA2 5885 0 0 0 9.000000e-025889 5887 H2B SLES 1 17.5467 52.0113 4.90961 HCA2 5885 0 0 0 9.000000e-025890 5888 C1 SLES 1 16.472 50.4418 3.48059 CC32A 5885 5889 5890 5891 - 1.000000e-025891 5889 H1B SLES 1 15.4019 50.6042 3.66535 HCA2 5888 0 0 0 9.000000e-025892 5890 H1A SLES 1 17.2471 50.1267 4.26947 HCA2 5888 0 0 0 9.000000e-025893 5891 O1 SLES 1 16.3779 49.0465 3.35304 OC30A 5888 5892 0 0 - 3.400000e-015894 5892 C1 SLES 1 15.6986 48.3247 4.37057 CTL2 5891 5893 5894 5895 - 1.800000e-015895 5893 H11 SLES 1 14.6997 48.7369 4.68623 HAL2 5892 0 0 0 9.000000e-025896 5894 H12 SLES 1 16.3317 48.259 5.29107 HAL2 5892 0 0 0 9.000000e-025897 5895 C2 SLES 1 15.5587 46.9778 3.66253 CTL2 5892 5896 5897 5898 - 1.800000e-015898 5896 H21 SLES 1 14.8824 47.0098 2.77467 HAL2 5895 0 0 0 9.000000e-025899 5897 H22 SLES 1 16.5397 46.5398 3.35588 HAL2 5895 0 0 0 9.000000e-025900 5898 C3 SLES 1 14.9562 46.1203 4.7008 CTL2 5895 5899 5900 5901 - 1.800000e-015901 5899 H31 SLES 1 13.9833 46.6206 4.95892 HAL2 5898 0 0 0 9.000000e-025902 5900 H32 SLES 1 15.687 46.1439 5.5559 HAL2 5898 0 0 0 9.000000e-025903 5901 C4 SLES 1 14.6496 44.6817 4.43708 CTL2 5898 5902 5903 5904 - 1.800000e-015904 5902 H41 SLES 1 13.9214 44.5681 3.59652 HAL2 5901 0 0 0 9.000000e-025905 5903 H42 SLES 1 15.571 44.1108 4.17456 HAL2 5901 0 0 0 9.000000e-025906 5904 C5 SLES 1 14.0697 44.3302 5.81373 CTL2 5901 5905 5906 5907 - 1.800000e-015907 5905 H51 SLES 1 13.1916 44.9881 6.05055 HAL2 5904 0 0 0 9.000000e-025908 5906 H52 SLES 1 14.8214 44.5351 6.62078 HAL2 5904 0 0 0 9.000000e-025909 5907 C6 SLES 1 13.6157 42.9493 6.01449 CTL2 5904 5908 5909 5910 - 1.800000e-015910 5908 H61 SLES 1 12.5409 43.0157 6.33587 HAL2 5907 0 0 0 9.000000e-025911 5909 H62 SLES 1 14.1753 42.5612 6.90761 HAL2 5907 0 0 0 9.000000e-025912 5910 C7 SLES 1 13.7654 41.9906 4.82701 CTL2 5907 5911 5912 5913 - 1.800000e-015913 5911 H71 SLES 1 13.1663 42.2807 3.93175 HAL2 5910 0 0 0 9.000000e-025914 5912 H72 SLES 1 14.8208 41.8206 4.51089 HAL2 5910 0 0 0 9.000000e-025915 5913 C8 SLES 1 13.2056 40.7617 5.44665 CTL2 5910 5914 5915 5916 - 1.800000e-015916 5914 H81 SLES 1 12.1536 41.0148 5.7584 HAL2 5913 0 0 0 9.000000e-025917 5915 H82 SLES 1 13.8437 40.5457 6.35037 HAL2 5913 0 0 0 9.000000e-025918 5916 C9 SLES 1 13.1257 39.4941 4.66968 CTL2 5913 5917 5918 5919 - 1.800000e-015919 5917 H91 SLES 1 12.4854 39.6341 3.77022 HAL2 5916 0 0 0 9.000000e-025920 5918 H92 SLES 1 14.1431 39.1736 4.35124 HAL2 5916 0 0 0 9.000000e-025921 5919 C10 SLES 1 12.503 38.572 5.71593 CTL2 5916 5920 5921 5922 - 1.800000e-015922 5920 H10 SLES 1 11.5143 38.9872 6.05105 HAL2 5919 0 0 0 9.000000e-025923 5921 H10 SLES 1 13.1598 38.5301 6.62718 HAL2 5919 0 0 0 9.000000e-025924 5922 C11 SLES 1 12.2712 37.1669 5.26386 CTL2 5919 5923 5924 5925 - 1.800000e-015925 5923 H11 SLES 1 11.6019 37.211 4.37324 HAL2 5922 0 0 0 9.000000e-025926 5924 H11 SLES 1 13.2574 36.7512 4.9524 HAL2 5922 0 0 0 9.000000e-025927 5925 C12 SLES 1 11.6467 36.3635 6.4082 CTL3 5922 5926 5927 5928 - 2.700000e-015928 5926 H12 SLES 1 10.6478 35.9908 6.10927 HAL3 5925 0 0 0 9.000000e-025929 5927 H12 SLES 1 12.3146 35.5274 6.6933 HAL3 5925 0 0 0 9.000000e-025930 5928 H12 SLES 1 11.4959 36.9794 7.32869 HAL3 5925 0 0 0 9.000000e-025931 5929 NA SLES 1 4.94539 60.3505 1.29512 NA 0 0 0 0 1 .000000e+005932 5930 S SLES 1 3.30641 59.7343 3.76663 SL 5931 5932 5933 5934 1.33 0000e+005933 5931 OS1 SLES 1 3.7079 58.4182 3.24152 OSL 5930 5935 0 0 - 2.800000e-015934 5932 OS2 SLES 1 2.67937 60.0762 2.50942 O2L 5930 0 0 0 - 6.500000e-015935 5933 OS3 SLES 1 4.68771 60.1388 3.89211 O2L 5930 0 0 0 - 6.500000e-015936 5934 OS4 SLES 1 2.50826 59.49 4.93502 O2L 5930 0 0 0 - 6.500000e-015937 5935 C2 SLES 1 3.43217 57.181 3.76549 CC32A 5931 5936 5937 5938 - 1.100000e-015938 5936 H2A SLES 1 2.32471 57.0071 3.81277 HCA2 5935 0 0 0 9.000000e-025939 5937 H2B SLES 1 3.87713 57.0712 4.78996 HCA2 5935 0 0 0 9.000000e-025940 5938 C1 SLES 1 4.10997 56.2402 2.74609 CC32A 5935 5939 5940 5941 - 1.000000e-025941 5939 H1B SLES 1 3.67918 56.3828 1.72118 HCA2 5938 0 0 0 9.000000e-025942 5940 H1A SLES 1 5.21067 56.429 2.70114 HCA2 5938 0 0 0 9.000000e-025943 5941 O1 SLES 1 4.03229 54.8666 2.94941 OC30A 5938 5942 0 0 - 3.400000e-015944 5942 C2 SLES 1 3.31321 54.4012 4.07685 CC32A 5941 5943 5944 5945 - 1.000000e-025945 5943 H2A SLES 1 2.24105 54.7473 4.03004 HCA2 5942 0 0 0 9.000000e-025946 5944 H2B SLES 1 3.76298 54.7751 5.02632 HCA2 5942 0 0 0 9.000000e-025947 5945 C1 SLES 1 3.53928 52.9501 3.51641 CC32A 5942 5946 5947 5948 - 1.000000e-025948 5946 H1B SLES 1 2.45393 52.8064 3.43287 HCA2 5945 0 0 0 9.000000e-025949 5947 H1A SLES 1 4.15154 52.8752 4.48693 HCA2 5945 0 0 0 9.000000e-025950 5948 O1 SLES 1 3.86051 51.5835 3.48255 OC30A 5945 5949 0 0 - 3.400000e-015951 5949 C1 SLES 1 3.17286 50.7111 4.36801 CTL2 5948 5950 5951 5952 - 1.800000e-015952 5950 H11 SLES 1 2.054 50.8287 4.40794 HAL2 5949 0 0 0 9.000000e-025953 5951 H12 SLES 1 3.55313 50.8371 5.413 HAL2 5949 0 0 0 9.000000e-025954 5952 C2 SLES 1 3.58135 49.3714 3.75703 CTL2 5949 5953 5954 5955 - 1.800000e-015955 5953 H21 SLES 1 3.16205 49.2013 2.73629 HAL2 5952 0 0 0 9.000000e-025956 5954 H22 SLES 1 4.6884 49.2242 3.72373 HAL2 5952 0 0 0 9.000000e-025957 5955 C3 SLES 1 2.99681 48.3908 4.69137 CTL2 5952 5956 5957 5958 - 1.800000e-015958 5956 H31 SLES 1 1.89249 48.5996 4.67454 HAL2 5955 0 0 0 9.000000e-025959 5957 H32 SLES 1 3.45991 48.6292 5.68861 HAL2 5955 0 0 0 9.000000e-025960 5958 C4 SLES 1 3.16556 46.9213 4.47946 CTL2 5955 5959 5960 5961 - 1.800000e-015961 5959 H41 SLES 1 2.72561 46.5974 3.5041 HAL2 5958 0 0 0 9.000000e-025962 5960 H42 SLES 1 4.24218 46.6302 4.48566 HAL2 5958 0 0 0 9.000000e-025963 5961 C5 SLES 1 2.38181 46.4362 5.70648 CTL2 5958 5962 5963 5964 - 1.800000e-015964 5962 H51 SLES 1 1.32829 46.8227 5.6785 HAL2 5961 0 0 0 9.000000e-025965 5963 H52 SLES 1 2.82718 46.8539 6.64752 HAL2 5961 0 0 0 9.000000e-025966 5964 C6 SLES 1 2.28334 44.9857 5.90571 CTL2 5961 5965 5966 5967 - 1.800000e-015967 5965 H61 SLES 1 1.18593 44.7502 5.96116 HAL2 5964 0 0 0 9.000000e-025968 5966 H62 SLES 1 2.68906 44.7814 6.93282 HAL2 5964 0 0 0 9.000000e-025969 5967 C7 SLES 1 2.97445 44.0946 4.86656 CTL2 5964 5968 5969 5970 - 1.800000e-015970 5968 H71 SLES 1 2.55892 44.1939 3.83598 HAL2 5967 0 0 0 9.000000e-025971 5969 H72 SLES 1 4.08054 44.2254 4.81997 HAL2 5967 0 0 0 9.000000e-025972 5970 C8 SLES 1 2.63324 42.7649 5.43489 CTL2 5967 5971 5972 5973 - 1.800000e-015973 5971 H81 SLES 1 1.50883 42.7148 5.47136 HAL2 5970 0 0 0 9.000000e-025974 5972 H82 SLES 1 3.06285 42.7479 6.4768 HAL2 5970 0 0 0 9.000000e-025975 5973 C9 SLES 1 3.09307 41.5174 4.76475 CTL2 5970 5974 5975 5976 - 1.800000e-015976 5974 H91 SLES 1 2.68081 41.461 3.73249 HAL2 5973 0 0 0 9.000000e-025977 5975 H92 SLES 1 4.20506 41.4931 4.71909 HAL2 5973 0 0 0 9.000000e-025978 5976 C10 SLES 1 2.50526 40.4692 5.70728 CTL2 5973 5977 5978 5979 - 1.800000e-015979 5977 H10 SLES 1 1.39024 40.5928 5.7682 HAL2 5976 0 0 0 9.000000e-025980 5978 H10 SLES 1 2.90336 40.6245 6.74693 HAL2 5976 0 0 0 9.000000e-025981 5979 C11 SLES 1 2.78087 39.0506 5.32758 CTL2 5976 5980 5981 5982 - 1.800000e-015982 5980 H11 SLES 1 2.36546 38.8941 4.30484 HAL2 5979 0 0 0 9.000000e-025983 5981 H11 SLES 1 3.88789 38.9262 5.28905 HAL2 5979 0 0 0 9.000000e-025984 5982 C12 SLES 1 2.13512 38.1169 6.35525 CTL3 5979 5983 5984 5985 - 2.700000e-015985 5983 H12 SLES 1 1.37989 37.4744 5.86241 HAL3 5982 0 0 0 9.000000e-025986 5984 H12 SLES 1 2.91264 37.5063 6.85427 HAL3 5982 0 0 0 9.000000e-025987 5985 H12 SLES 1 1.60145 38.6759 7.16284 HAL3 5982 0 0 0 9.000000e-025988 5986 NA SLES 1 -9.84214 59.8012 1.63129 NA 0 0 0 0 1 .000000e+005989 5987 S SLES 1 -11.7913 58.636 3.63562 SL 5988 5989 5990 5991 1.33 0000e+005990 5988 OS1 SLES 1 -10.9252 57.5084 3.25114 OSL 5987 5992 0 0 - 2.800000e-015991 5989 OS2 SLES 1 -12.1658 58.8555 2.25642 O2L 5987 0 0 0 - 6.500000e-015992 5990 OS3 SLES 1 -10.6498 59.3968 4.08887 O2L 5987 0 0 0 - 6.500000e-015993 5991 OS4 SLES 1 -12.7475 58.1238 4.5765 O2L 5987 0 0 0 - 6.500000e-015994 5992 C2 SLES 1 -10.964 56.2184 3.71532 CC32A 5988 5993 5994 5995 - 1.100000e-015995 5993 H2A SLES 1 -11.9567 55.7454 3.4923 HCA2 5992 0 0 0 9.000000e-025996 5994 H2B SLES 1 -10.7671 56.1836 4.81968 HCA2 5992 0 0 0 9.000000e-025997 5995 C1 SLES 1 -9.82613 55.552 2.9124 CC32A 5992 5996 5997 5998 - 1.000000e-025998 5996 H1B SLES 1 -10.0188 55.6222 1.81046 HCA2 5995 0 0 0 9.000000e-025999 5997 H1A SLES 1 -8.84443 56.0374 3.13572 HCA2 5995 0 0 0 9.000000e-026000 5998 O1 SLES 1 -9.56545 54.2013 3.11719 OC30A 5995 5999 0 0 - 3.400000e-016001 5999 C2 SLES 1 -10.3768 53.5006 4.04213 CC32A 5998 6000 6001 6002 - 1.000000e-026002 6000 H2A SLES 1 -11.4585 53.5412 3.72645 HCA2 5999 0 0 0 9.000000e-026003 6001 H2B SLES 1 -10.2918 53.9353 5.06554 HCA2 5999 0 0 0 9.000000e-026004 6002 C1 SLES 1 -9.62772 52.1971 3.58293 CC32A 5999 6003 6004 6005 - 1.000000e-026005 6003 H1B SLES 1 -10.5767 51.7656 3.23798 HCA2 6002 0 0 0 9.000000e-026006 6004 H1A SLES 1 -9.27199 52.2444 4.67545 HCA2 6002 0 0 0 9.000000e-026007 6005 O1 SLES 1 -8.94085 50.9745 3.65579 OC30A 6002 6006 0 0 - 3.400000e-016008 6006 C1 SLES 1 -9.55135 49.9037 4.36191 CTL2 6005 6007 6008 6009 - 1.800000e-016009 6007 H11 SLES 1 -10.6339 49.7078 4.12327 HAL2 6006 0 0 0 9.000000e-026010 6008 H12 SLES 1 -9.48515 50.0765 5.46565 HAL2 6006 0 0 0 9.000000e-026011 6009 C2 SLES 1 -8.6515 48.7598 3.89638 CTL2 6006 6010 6011 6012 - 1.800000e-016012 6010 H21 SLES 1 -8.7476 48.5327 2.80742 HAL2 6009 0 0 0 9.000000e-026013 6011 H22 SLES 1 -7.57329 48.9237 4.13913 HAL2 6009 0 0 0 9.000000e-026014 6012 C3 SLES 1 -9.14784 47.6108 4.67734 CTL2 6009 6013 6014 6015 - 1.800000e-016015 6013 H31 SLES 1 -10.2285 47.5093 4.38549 HAL2 6012 0 0 0 9.000000e-026016 6014 H32 SLES 1 -9.02435 47.9167 5.75297 HAL2 6012 0 0 0 9.000000e-026017 6015 C4 SLES 1 -8.53111 46.2564 4.54217 CTL2 6012 6016 6017 6018 - 1.800000e-016018 6016 H41 SLES 1 -8.61459 45.8737 3.49511 HAL2 6015 0 0 0 9.000000e-026019 6017 H42 SLES 1 -7.45071 46.2718 4.81852 HAL2 6015 0 0 0 9.000000e-026020 6018 C5 SLES 1 -9.42113 45.5141 5.54812 CTL2 6015 6019 6020 6021 - 1.800000e-016021 6019 H51 SLES 1 -10.5013 45.5978 5.25447 HAL2 6018 0 0 0 9.000000e-026022 6020 H52 SLES 1 -9.35043 45.9902 6.56142 HAL2 6018 0 0 0 9.000000e-026023 6021 C6 SLES 1 -9.15741 44.0841 5.74533 CTL2 6018 6022 6023 6024 - 1.800000e-016024 6022 H61 SLES 1 -10.1256 43.5542 5.5339 HAL2 6021 0 0 0 9.000000e-026025 6023 H62 SLES 1 -8.97136 43.9476 6.84444 HAL2 6021 0 0 0 9.000000e-026026 6024 C7 SLES 1 -8.01618 43.47 4.92557 CTL2 6021 6025 6026 6027 - 1.800000e-016027 6025 H71 SLES 1 -8.18129 43.5031 3.82273 HAL2 6024 0 0 0 9.000000e-026028 6026 H72 SLES 1 -7.01295 43.9013 5.14976 HAL2 6024 0 0 0 9.000000e-026029 6027 C8 SLES 1 -8.10084 42.0709 5.41845 CTL2 6024 6028 6029 6030 - 1.800000e-016030 6028 H81 SLES 1 -9.14109 41.7127 5.17837 HAL2 6027 0 0 0 9.000000e-026031 6029 H82 SLES 1 -7.94824 42.1201 6.53413 HAL2 6027 0 0 0 9.000000e-026032 6030 C9 SLES 1 -7.16462 41.0326 4.90642 CTL2 6027 6031 6032 6033 - 1.800000e-016033 6031 H91 SLES 1 -7.283 40.9172 3.8058 HAL2 6030 0 0 0 9.000000e-026034 6032 H92 SLES 1 -6.11299 41.3165 5.136 HAL2 6030 0 0 0 9.000000e-026035 6033 C10 SLES 1 -7.64717 39.8175 5.69583 CTL2 6030 6034 6035 6036 - 1.800000e-016036 6034 H10 SLES 1 -8.73289 39.6273 5.47836 HAL2 6033 0 0 0 9.000000e-026037 6035 H10 SLES 1 -7.57124 40.0236 6.7982 HAL2 6033 0 0 0 9.000000e-026038 6036 C11 SLES 1 -6.90477 38.5498 5.42332 CTL2 6033 6037 6038 6039 - 1.800000e-016039 6037 H11 SLES 1 -7.00054 38.3369 4.33311 HAL2 6036 0 0 0 9.000000e-026040 6038 H11 SLES 1 -5.83164 38.7358 5.66054 HAL2 6036 0 0 0 9.000000e-026041 6039 C12 SLES 1 -7.49359 37.4244 6.27877 CTL3 6036 6040 6041 6042 - 2.700000e-016042 6040 H12 SLES 1 -7.89808 36.625 5.62805 HAL3 6039 0 0 0 9.000000e-026043 6041 H12 SLES 1 -6.72138 37.0262 6.96544 HAL3 6039 0 0 0 9.000000e-026044 6042 H12 SLES 1 -8.34017 37.7744 6.9193 HAL3 6039 0 0 0 9.000000e-026045 6043 NA SLES 1 -24.1616 55.6507 2.05345 NA 0 0 0 0 1 .000000e+006046 6044 S SLES 1 -26.0906 53.7966 3.47315 SL 6045 6046 6047 6048 1.33 0000e+006047 6045 OS1 SLES 1 -24.8762 52.99 3.26337 OSL 6044 6049 0 0 - 2.800000e-016048 6046 OS2 SLES 1 -26.1972 54.0566 2.05481 O2L 6044 0 0 0 - 6.500000e-016049 6047 OS3 SLES 1 -25.3435 54.7807 4.22185 O2L 6044 0 0 0 - 6.500000e-016050 6048 OS4 SLES 1 -27.0445 52.9486 4.13104 O2L 6044 0 0 0 - 6.500000e-016051 6049 C2 SLES 1 -24.6472 51.694 3.64934 CC32A 6045 6050 6051 6052 - 1.100000e-016052 6050 H2A SLES 1 -25.3887 51.0001 3.17206 HCA2 6049 0 0 0 9.000000e-026053 6051 H2B SLES 1 -24.6982 51.5932 4.76595 HCA2 6049 0 0 0 9.000000e-026054 6052 C1 SLES 1 -23.2183 51.447 3.11954 CC32A 6049 6053 6054 6055 - 1.000000e-026055 6053 H1B SLES 1 -23.1741 51.5825 2.00778 HCA2 6052 0 0 0 9.000000e-026056 6054 H1A SLES 1 -22.4907 52.1497 3.59497 HCA2 6052 0 0 0 9.000000e-026057 6055 O1 SLES 1 -22.6353 50.2011 3.32433 OC30A 6052 6056 0 0 - 3.400000e-016058 6056 C2 SLES 1 -23.3967 49.2129 3.99402 CC32A 6055 6057 6058 6059 - 1.000000e-026059 6057 H2A SLES 1 -24.3472 48.9972 3.42699 HCA2 6056 0 0 0 9.000000e-026060 6058 H2B SLES 1 -23.668 49.5406 5.02482 HCA2 6056 0 0 0 9.000000e-026061 6059 C1 SLES 1 -22.2248 48.2148 3.67597 CC32A 6056 6060 6061 6062 - 1.000000e-026062 6060 H1B SLES 1 -22.9103 47.5857 3.09291 HCA2 6059 0 0 0 9.000000e-026063 6061 H1A SLES 1 -22.1484 48.2363 4.82318 HCA2 6059 0 0 0 9.000000e-026064 6062 O1 SLES 1 -21.2516 47.2196 3.86185 OC30A 6059 6063 0 0 - 3.400000e-016065 6063 C1 SLES 1 -21.6718 45.9545 4.35265 CTL2 6062 6064 6065 6066 - 1.800000e-016066 6064 H11 SLES 1 -22.5726 45.5037 3.85009 HAL2 6063 0 0 0 9.000000e-026067 6065 H12 SLES 1 -21.9037 46.0177 5.44568 HAL2 6063 0 0 0 9.000000e-026068 6066 C2 SLES 1 -20.4033 45.1501 4.07184 CTL2 6063 6067 6068 6069 - 1.800000e-016069 6067 H21 SLES 1 -20.1871 45.0253 2.98358 HAL2 6066 0 0 0 9.000000e-026070 6068 H22 SLES 1 -19.4983 45.5686 4.57597 HAL2 6066 0 0 0 9.000000e-026071 6069 C3 SLES 1 -20.7114 43.8325 4.6596 CTL2 6066 6070 6071 6072 - 1.800000e-016072 6070 H31 SLES 1 -21.6256 43.4784 4.10992 HAL2 6069 0 0 0 9.000000e-026073 6071 H32 SLES 1 -20.9215 44.0415 5.74492 HAL2 6069 0 0 0 9.000000e-026074 6072 C4 SLES 1 -19.72 42.7151 4.62127 CTL2 6069 6073 6074 6075 - 1.800000e-016075 6073 H41 SLES 1 -19.4569 42.4401 3.57012 HAL2 6072 0 0 0 9.000000e-026076 6074 H42 SLES 1 -18.778 42.9883 5.15224 HAL2 6072 0 0 0 9.000000e-026077 6075 C5 SLES 1 -20.5609 41.6573 5.34859 CTL2 6072 6076 6077 6078 - 1.800000e-016078 6076 H51 SLES 1 -21.5271 41.4807 4.80511 HAL2 6075 0 0 0 9.000000e-026079 6077 H52 SLES 1 -20.8551 42.0219 6.36787 HAL2 6075 0 0 0 9.000000e-026080 6078 C6 SLES 1 -19.9508 40.337 5.54343 CTL2 6075 6079 6080 6081 - 1.800000e-016081 6079 H61 SLES 1 -20.6557 39.594 5.08094 HAL2 6078 0 0 0 9.000000e-026082 6080 H62 SLES 1 -19.9816 40.1365 6.64804 HAL2 6078 0 0 0 9.000000e-026083 6081 C7 SLES 1 -18.5299 40.1429 5.00033 CTL2 6078 6082 6083 6084 - 1.800000e-016084 6082 H71 SLES 1 -18.4492 40.2503 3.89284 HAL2 6081 0 0 0 9.000000e-026085 6083 H72 SLES 1 -17.767 40.7994 5.47955 HAL2 6081 0 0 0 9.000000e-026086 6084 C8 SLES 1 -18.3189 38.727 5.39838 CTL2 6081 6085 6086 6087 - 1.800000e-016087 6085 H81 SLES 1 -19.1336 38.1322 4.89785 HAL2 6084 0 0 0 9.000000e-026088 6086 H82 SLES 1 -18.4376 38.6936 6.51875 HAL2 6084 0 0 0 9.000000e-026089 6087 C9 SLES 1 -17.0363 38.0385 5.08579 CTL2 6084 6088 6089 6090 - 1.800000e-016090 6088 H91 SLES 1 -16.8701 38.016 3.98553 HAL2 6087 0 0 0 9.000000e-026091 6089 H92 SLES 1 -16.1874 38.5662 5.57576 HAL2 6087 0 0 0 9.000000e-026092 6090 C10 SLES 1 -17.3145 36.6603 5.6823 CTL2 6087 6091 6092 6093 - 1.800000e-016093 6091 H10 SLES 1 -18.2245 36.2119 5.19974 HAL2 6090 0 0 0 9.000000e-026094 6092 H10 SLES 1 -17.5464 36.7581 6.77777 HAL2 6090 0 0 0 9.000000e-026095 6093 C11 SLES 1 -16.2002 35.6743 5.54507 CTL2 6090 6094 6095 6096 - 1.800000e-016096 6094 H11 SLES 1 -15.9875 35.5634 4.45627 HAL2 6093 0 0 0 9.000000e-026097 6095 H11 SLES 1 -15.305 36.1133 6.04354 HAL2 6093 0 0 0 9.000000e-026098 6096 C12 SLES 1 -16.6177 34.3466 6.18354 CTL3 6093 6097 6098 6099 - 2.700000e-016099 6097 H12 SLES 1 -16.6228 33.5438 5.4209 HAL3 6096 0 0 0 9.000000e-026100 6098 H12 SLES 1 -15.936 34.0968 7.01981 HAL3 6096 0 0 0 9.000000e-026101 6099 H12 SLES 1 -17.6488 34.3859 6.61338 HAL3 6096 0 0 0 9.000000e-026102 6100 NA SLES 1 -37.1442 48.057 2.53509 NA 0 0 0 0 1 .000000e+006103 6101 S SLES 1 -38.6826 45.5593 3.28943 SL 6102 6103 6104 6105 1.33 0000e+006104 6102 OS1 SLES 1 -37.2696 45.1438 3.27745 OSL 6101 6106 0 0 - 2.800000e-016105 6103 OS2 SLES 1 -38.5922 46.0062 1.91728 O2L 6101 0 0 0 - 6.500000e-016106 6104 OS3 SLES 1 -38.4073 46.5717 4.28267 O2L 6101 0 0 0 - 6.500000e-016107 6105 OS4 SLES 1 -39.455 44.3968 3.62664 O2L 6101 0 0 0 - 6.500000e-016108 6106 C2 SLES 1 -36.751 43.9086 3.5717 CC32A 6102 6107 6108 6109 - 1.100000e-016109 6107 H2A SLES 1 -37.156 43.1305 2.87217 HCA2 6106 0 0 0 9.000000e-026110 6108 H2B SLES 1 -36.9788 43.6204 4.63216 HCA2 6106 0 0 0 9.000000e-026111 6109 C1 SLES 1 -35.239 44.1332 3.35451 CC32A 6106 6110 6111 6112 - 1.000000e-026112 6110 H1B SLES 1 -35.0285 44.452 2.30074 HCA2 6109 0 0 0 9.000000e-026113 6111 H1A SLES 1 -34.8492 44.9165 4.05002 HCA2 6109 0 0 0 9.000000e-026114 6112 O1 SLES 1 -34.3688 43.0676 3.55784 OC30A 6109 6113 0 0 - 3.400000e-016115 6113 C2 SLES 1 -34.9222 41.8203 3.93555 CC32A 6112 6114 6115 6116 - 1.000000e-026116 6114 H2A SLES 1 -35.6453 41.4567 3.15048 HCA2 6113 0 0 0 9.000000e-026117 6115 H2B SLES 1 -35.465 41.8958 4.90671 HCA2 6113 0 0 0 9.000000e-026118 6116 C1 SLES 1 -33.4732 41.2287 3.78969 CC32A 6113 6117 6118 6119 - 1.000000e-026119 6117 H1B SLES 1 -33.8247 40.5438 3.00679 HCA2 6116 0 0 0 9.000000e-026120 6118 H1A SLES 1 -33.6227 41.0853 4.92083 HCA2 6116 0 0 0 9.000000e-026121 6119 O1 SLES 1 -32.306 40.507 4.08781 OC30A 6116 6120 0 0 - 3.400000e-016122 6120 C1 SLES 1 -32.4253 39.1143 4.34081 CTL2 6119 6121 6122 6123 - 1.800000e-016123 6121 H11 SLES 1 -33.0457 38.5297 3.60558 HAL2 6120 0 0 0 9.000000e-026124 6122 H12 SLES 1 -32.866 38.9384 5.35436 HAL2 6120 0 0 0 9.000000e-026125 6123 C2 SLES 1 -30.9488 38.7264 4.27238 CTL2 6120 6124 6125 6126 - 1.800000e-016126 6124 H21 SLES 1 -30.5058 38.8388 3.25369 HAL2 6123 0 0 0 9.000000e-026127 6125 H22 SLES 1 -30.3154 39.2811 5.0068 HAL2 6123 0 0 0 9.000000e-026128 6126 C3 SLES 1 -30.9658 37.2976 4.63926 CTL2 6123 6127 6128 6129 - 1.800000e-016129 6127 H31 SLES 1 -31.618 36.809 3.86514 HAL2 6126 0 0 0 9.000000e-026130 6128 H32 SLES 1 -31.427 37.2674 5.66499 HAL2 6126 0 0 0 9.000000e-026131 6129 C4 SLES 1 -29.704 36.5003 4.71181 CTL2 6126 6130 6131 6132 - 1.800000e-016132 6130 H41 SLES 1 -29.1804 36.4761 3.72441 HAL2 6129 0 0 0 9.000000e-026133 6131 H42 SLES 1 -28.9988 36.9222 5.46583 HAL2 6129 0 0 0 9.000000e-026134 6132 C5 SLES 1 -30.3226 35.1566 5.12044 CTL2 6129 6133 6134 6135 - 1.800000e-016135 6133 H51 SLES 1 -31.0763 34.8224 4.35864 HAL2 6132 0 0 0 9.000000e-026136 6134 H52 SLES 1 -30.8955 35.2631 6.07904 HAL2 6132 0 0 0 9.000000e-026137 6135 C6 SLES 1 -29.4035 34.029 5.31269 CTL2 6132 6136 6137 6138 - 1.800000e-016138 6136 H61 SLES 1 -29.7628 33.2112 4.63074 HAL2 6135 0 0 0 9.000000e-026139 6137 H62 SLES 1 -29.5812 33.653 6.35595 HAL2 6135 0 0 0 9.000000e-026140 6138 C7 SLES 1 -27.9119 34.3038 5.08616 CTL2 6135 6139 6140 6141 - 1.800000e-016141 6139 H71 SLES 1 -27.6598 34.6048 4.04189 HAL2 6138 0 0 0 9.000000e-026142 6140 H72 SLES 1 -27.4762 35.0518 5.7886 HAL2 6138 0 0 0 9.000000e-026143 6141 C8 SLES 1 -27.3777 32.948 5.37592 CTL2 6138 6142 6143 6144 - 1.800000e-016144 6142 H81 SLES 1 -27.876 32.2486 4.64742 HAL2 6141 0 0 0 9.000000e-026145 6143 H82 SLES 1 -27.6894 32.7055 6.43163 HAL2 6141 0 0 0 9.000000e-026146 6144 C9 SLES 1 -25.9157 32.6792 5.2916 CTL2 6141 6145 6146 6147 - 1.800000e-016147 6145 H91 SLES 1 -25.5471 32.8777 4.26039 HAL2 6144 0 0 0 9.000000e-026148 6146 H92 SLES 1 -25.364 33.3254 6.01075 HAL2 6144 0 0 0 9.000000e-026149 6147 C10 SLES 1 -25.8887 31.1992 5.66754 CTL2 6144 6148 6149 6150 - 1.800000e-016150 6148 H10 SLES 1 -26.5223 30.6111 4.94983 HAL2 6147 0 0 0 9.000000e-026151 6149 H10 SLES 1 -26.3401 31.0558 6.68693 HAL2 6147 0 0 0 9.000000e-026152 6150 C11 SLES 1 -24.5312 30.575 5.68517 CTL2 6147 6151 6152 6153 - 1.800000e-016153 6151 H11 SLES 1 -24.0954 30.6998 4.66659 HAL2 6150 0 0 0 9.000000e-026154 6152 H11 SLES 1 -23.9119 31.1475 6.41397 HAL2 6150 0 0 0 9.000000e-026155 6153 C12 SLES 1 -24.6575 29.0997 6.07556 CTL3 6150 6154 6155 6156 - 2.700000e-016156 6154 H12 SLES 1 -24.2865 28.4567 5.254 HAL3 6153 0 0 0 9.000000e-026157 6155 H12 SLES 1 -24.1019 28.9067 7.01397 HAL3 6153 0 0 0 9.000000e-026158 6156 H12 SLES 1 -25.717 28.7979 6.2643 HAL3 6153 0 0 0 9.000000e-026159 6157 NA SLES 1 -47.9515 37.3926 3.04594 NA 0 0 0 0 1 .000000e+006160 6158 S SLES 1 -48.7855 34.4812 3.09601 SL 6159 6160 6161 6162 1.33 0000e+006161 6159 OS1 SLES 1 -47.3259 34.4597 3.29248 OSL 6158 6163 0 0 - 2.800000e-016162 6160 OS2 SLES 1 -48.6359 35.2036 1.85246 O2L 6158 0 0 0 - 6.500000e-016163 6161 OS3 SLES 1 -48.9609 35.3082 4.26753 O2L 6158 0 0 0 - 6.500000e-016164 6162 OS4 SLES 1 -49.225 33.1142 3.09498 O2L 6158 0 0 0 - 6.500000e-016165 6163 C2 SLES 1 -46.5169 33.3695 3.48727 CC32A 6159 6164 6165 6166 - 1.100000e-016166 6164 H2A SLES 1 -46.5741 32.6705 2.61147 HCA2 6163 0 0 0 9.000000e-026167 6165 H2B SLES 1 -46.7985 32.8239 4.42672 HCA2 6163 0 0 0 9.000000e-026168 6166 C1 SLES 1 -45.1213 34.0196 3.60253 CC32A 6163 6167 6168 6169 - 1.000000e-026169 6167 H1B SLES 1 -44.8658 34.5881 2.67094 HCA2 6166 0 0 0 9.000000e-026170 6168 H1A SLES 1 -45.0793 34.7203 4.47229 HCA2 6166 0 0 0 9.000000e-026171 6169 O1 SLES 1 -44.0161 33.1995 3.80303 OC30A 6166 6170 0 0 - 3.400000e-016172 6170 C2 SLES 1 -44.2294 31.8013 3.87038 CC32A 6169 6171 6172 6173 - 1.000000e-026173 6171 H2A SLES 1 -44.6964 31.428 2.9143 HCA2 6170 0 0 0 9.000000e-026174 6172 H2B SLES 1 -44.9026 31.535 4.71864 HCA2 6170 0 0 0 9.000000e-026175 6173 C1 SLES 1 -42.6655 31.6501 3.91693 CC32A 6170 6174 6175 6176 - 1.000000e-026176 6174 H1B SLES 1 -42.6875 31.0699 2.98501 HCA2 6173 0 0 0 9.000000e-026177 6175 H1A SLES 1 -42.9254 31.2475 4.96227 HCA2 6173 0 0 0 9.000000e-026178 6176 O1 SLES 1 -41.3932 31.2129 4.31945 OC30A 6173 6177 0 0 - 3.400000e-016179 6177 C1 SLES 1 -41.1358 29.8159 4.32715 CTL2 6176 6178 6179 6180 - 1.800000e-016180 6178 H11 SLES 1 -41.4481 29.2507 3.40509 HAL2 6177 0 0 0 9.000000e-026181 6179 H12 SLES 1 -41.645 29.3304 5.19743 HAL2 6177 0 0 0 9.000000e-026182 6180 C2 SLES 1 -39.6163 29.8485 4.4854 CTL2 6177 6181 6182 6183 - 1.800000e-016183 6181 H21 SLES 1 -39.0856 30.2758 3.6008 HAL2 6180 0 0 0 9.000000e-026184 6182 H22 SLES 1 -39.2828 30.3892 5.40457 HAL2 6180 0 0 0 9.000000e-026185 6183 C3 SLES 1 -39.2677 28.4212 4.61761 CTL2 6180 6184 6185 6186 - 1.800000e-016186 6184 H31 SLES 1 -39.6326 27.9462 3.66653 HAL2 6183 0 0 0 9.000000e-026187 6185 H32 SLES 1 -39.8405 28.0653 5.51818 HAL2 6183 0 0 0 9.000000e-026188 6186 C4 SLES 1 -37.8519 27.9828 4.80808 CTL2 6183 6187 6188 6189 - 1.800000e-016189 6187 H41 SLES 1 -37.2096 28.2958 3.94829 HAL2 6186 0 0 0 9.000000e-026190 6188 H42 SLES 1 -37.4145 28.4128 5.7396 HAL2 6186 0 0 0 9.000000e-026191 6189 C5 SLES 1 -38.1031 26.4705 4.878 CTL2 6186 6190 6191 6192 - 1.800000e-016192 6190 H51 SLES 1 -38.6108 26.1123 3.94312 HAL2 6189 0 0 0 9.000000e-026193 6191 H52 SLES 1 -38.8119 26.2281 5.71308 HAL2 6189 0 0 0 9.000000e-026194 6192 C6 SLES 1 -36.9321 25.6068 5.06763 CTL2 6189 6193 6194 6195 - 1.800000e-016195 6193 H61 SLES 1 -36.937 24.8788 4.21158 HAL2 6192 0 0 0 9.000000e-026196 6194 H62 SLES 1 -37.1384 24.995 5.98652 HAL2 6192 0 0 0 9.000000e-026197 6195 C7 SLES 1 -35.5691 26.3009 5.17765 CTL2 6192 6196 6197 6198 - 1.800000e-016198 6196 H71 SLES 1 -35.2705 26.8616 4.26053 HAL2 6195 0 0 0 9.000000e-026199 6197 H72 SLES 1 -35.4745 26.9789 6.05751 HAL2 6195 0 0 0 9.000000e-026200 6198 C8 SLES 1 -34.7095 25.1018 5.3525 CTL2 6195 6199 6200 6201 - 1.800000e-016201 6199 H81 SLES 1 -34.8737 24.4586 4.44282 HAL2 6198 0 0 0 9.000000e-026202 6200 H82 SLES 1 -35.0831 24.5785 6.27824 HAL2 6198 0 0 0 9.000000e-026203 6201 C9 SLES 1 -33.2361 25.2462 5.51091 CTL2 6198 6202 6203 6204 - 1.800000e-016204 6202 H91 SLES 1 -32.7992 25.7379 4.61311 HAL2 6201 0 0 0 9.000000e-026205 6203 H92 SLES 1 -33.0044 25.855 6.41364 HAL2 6201 0 0 0 9.000000e-026206 6204 C10 SLES 1 -32.8323 23.7801 5.65247 CTL2 6201 6205 6206 6207 - 1.800000e-016207 6205 H10 SLES 1 -33.1585 23.2047 4.74435 HAL2 6204 0 0 0 9.000000e-026208 6206 H10 SLES 1 -33.3619 23.3213 6.53138 HAL2 6204 0 0 0 9.000000e-026209 6207 C11 SLES 1 -31.3686 23.5413 5.83483 CTL2 6204 6208 6209 6210 - 1.800000e-016210 6208 H11 SLES 1 -30.8484 23.9783 4.95085 HAL2 6207 0 0 0 9.000000e-026211 6209 H11 SLES 1 -31.0529 24.0961 6.74857 HAL2 6207 0 0 0 9.000000e-026212 6210 C12 SLES 1 -31.1132 22.0368 5.96161 CTL3 6207 6211 6212 6213 - 2.700000e-016213 6211 H12 SLES 1 -30.4583 21.6923 5.13781 HAL3 6210 0 0 0 9.000000e-026214 6212 H12 SLES 1 -30.6643 21.81 6.9483 HAL3 6210 0 0 0 9.000000e-026215 6213 H12 SLES 1 -32.0543 21.4375 5.89399 HAL3 6210 0 0 0 9.000000e-026216 6214 NA SLES 1 -55.8345 24.2463 3.5539 NA 0 0 0 0 1 .000000e+006217 6215 S SLES 1 -55.7919 21.288 2.90503 SL 6216 6217 6218 6219 1.33 0000e+006218 6216 OS1 SLES 1 -54.4114 21.6066 3.30754 OSL 6215 6220 0 0 - 2.800000e-016219 6217 OS2 SLES 1 -55.7501 22.291 1.86442 O2L 6215 0 0 0 - 6.500000e-016220 6218 OS3 SLES 1 -56.3002 21.7463 4.17737 O2L 6215 0 0 0 - 6.500000e-016221 6219 OS4 SLES 1 -55.8155 19.8921 2.56948 O2L 6215 0 0 0 - 6.500000e-016222 6220 C2 SLES 1 -53.3418 20.7533 3.40135 CC32A 6216 6221 6222 6223 - 1.100000e-016223 6221 H2A SLES 1 -53.118 20.2855 2.40635 HCA2 6220 0 0 0 9.000000e-026224 6222 H2B SLES 1 -53.5342 19.9513 4.16252 HCA2 6220 0 0 0 9.000000e-026225 6223 C1 SLES 1 -52.2094 21.7029 3.84803 CC32A 6220 6224 6225 6226 - 1.000000e-026226 6224 H1B SLES 1 -52.0492 22.5176 3.09511 HCA2 6223 0 0 0 9.000000e-026227 6225 H1A SLES 1 -52.4477 22.1696 4.83524 HCA2 6223 0 0 0 9.000000e-026228 6226 O1 SLES 1 -50.9361 21.1791 4.0445 OC30A 6223 6227 0 0 - 3.400000e-016229 6227 C2 SLES 1 -50.741 19.7978 3.8026 CC32A 6226 6228 6229 6230 - 1.000000e-026230 6228 H2A SLES 1 -50.995 19.5458 2.73327 HCA2 6227 0 0 0 9.000000e-026231 6229 H2B SLES 1 -51.3794 19.1754 4.47242 HCA2 6227 0 0 0 9.000000e-026232 6230 C1 SLES 1 -49.2104 20.0568 4.04972 CC32A 6227 6231 6232 6233 - 1.000000e-026233 6231 H1B SLES 1 -48.9825 19.7226 3.02896 HCA2 6230 0 0 0 9.000000e-026234 6232 H1A SLES 1 -49.4326 19.3701 4.9449 HCA2 6230 0 0 0 9.000000e-026235 6233 O1 SLES 1 -47.906 19.8892 4.54222 OC30A 6230 6234 0 0 - 3.400000e-016236 6234 C1 SLES 1 -47.2573 18.6465 4.31251 CTL2 6233 6235 6236 6237 - 1.800000e-016237 6235 H11 SLES 1 -47.3114 18.2476 3.26123 HAL2 6234 0 0 0 9.000000e-026238 6236 H12 SLES 1 -47.6781 17.8569 4.98475 HAL2 6234 0 0 0 9.000000e-026239 6237 C2 SLES 1 -45.832 19.0404 4.69751 CTL2 6234 6238 6239 6240 - 1.800000e-016240 6238 H21 SLES 1 -45.3727 19.7843 4.00308 HAL2 6237 0 0 0 9.000000e-026241 6239 H22 SLES 1 -45.7504 19.4224 5.74426 HAL2 6237 0 0 0 9.000000e-026242 6240 C3 SLES 1 -45.0984 17.7645 4.596 CTL2 6237 6241 6242 6243 - 1.800000e-016243 6241 H31 SLES 1 -45.2261 17.4429 3.52658 HAL2 6240 0 0 0 9.000000e-026244 6242 H32 SLES 1 -45.6199 17.0726 5.31372 HAL2 6240 0 0 0 9.000000e-026245 6243 C4 SLES 1 -43.6384 17.6824 4.90403 CTL2 6240 6244 6245 6246 - 1.800000e-016246 6244 H41 SLES 1 -43.0419 18.343 4.22768 HAL2 6243 0 0 0 9.000000e-026247 6245 H42 SLES 1 -43.4269 17.9853 5.95635 HAL2 6243 0 0 0 9.000000e-026248 6246 C5 SLES 1 -43.4467 16.1835 4.6365 CTL2 6243 6247 6248 6249 - 1.800000e-016249 6247 H51 SLES 1 -43.7457 15.9301 3.58465 HAL2 6246 0 0 0 9.000000e-026250 6248 H52 SLES 1 -44.1249 15.5773 5.29298 HAL2 6246 0 0 0 9.000000e-026251 6249 C6 SLES 1 -42.0971 15.6388 4.82362 CTL2 6246 6250 6251 6252 - 1.800000e-016252 6250 H61 SLES 1 -41.8167 15.153 3.84981 HAL2 6249 0 0 0 9.000000e-026253 6251 H62 SLES 1 -42.1967 14.7993 5.56297 HAL2 6249 0 0 0 9.000000e-026254 6252 C7 SLES 1 -41.008 16.6222 5.26905 CTL2 6249 6253 6254 6255 - 1.800000e-016255 6253 H71 SLES 1 -40.8057 17.4376 4.53502 HAL2 6252 0 0 0 9.000000e-026256 6254 H72 SLES 1 -41.1905 17.0792 6.26938 HAL2 6252 0 0 0 9.000000e-026257 6255 C8 SLES 1 -39.857 15.6848 5.32958 CTL2 6252 6256 6257 6258 - 1.800000e-016258 6256 H81 SLES 1 -39.7484 15.249 4.2969 HAL2 6255 0 0 0 9.000000e-026259 6257 H82 SLES 1 -40.1423 14.8826 6.06822 HAL2 6255 0 0 0 9.000000e-026260 6258 C9 SLES 1 -38.5079 16.1712 5.72994 CTL2 6255 6259 6260 6261 - 1.800000e-016261 6259 H91 SLES 1 -38.1555 16.9539 5.02153 HAL2 6258 0 0 0 9.000000e-026262 6260 H92 SLES 1 -38.5416 16.5941 6.75911 HAL2 6258 0 0 0 9.000000e-026263 6261 C10 SLES 1 -37.7112 14.8714 5.63804 CTL2 6258 6262 6263 6264 - 1.800000e-016264 6262 H10 SLES 1 -37.7769 14.456 4.5962 HAL2 6261 0 0 0 9.000000e-026265 6263 H10 SLES 1 -38.1599 14.0995 6.3209 HAL2 6261 0 0 0 9.000000e-026266 6264 C11 SLES 1 -36.2627 14.9907 5.98464 CTL2 6261 6265 6266 6267 - 1.800000e-016267 6265 H11 SLES 1 -35.8163 15.7409 5.29119 HAL2 6264 0 0 0 9.000000e-026268 6266 H11 SLES 1 -36.2017 15.3827 7.02631 HAL2 6264 0 0 0 9.000000e-026269 6267 C12 SLES 1 -35.5951 13.6193 5.84885 CTL3 6264 6268 6269 6270 - 2.700000e-016270 6268 H12 SLES 1 -34.7996 13.659 5.07966 HAL3 6267 0 0 0 9.000000e-026271 6269 H12 SLES 1 -35.1875 13.2973 6.82691 HAL3 6267 0 0 0 9.000000e-026272 6270 H12 SLES 1 -36.3131 12.8259 5.52572 HAL3 6267 0 0 0 9.000000e-026273 6271 NA SLES 1 -60.1973 9.40702 4.02705 NA 0 0 0 0 1 .000000e+006274 6272 S SLES 1 -59.3 6.82188 2.7285 SL 6273 6274 6275 6276 1.33 0000e+006275 6273 OS1 SLES 1 -58.0779 7.39096 3.32166 OSL 6272 6277 0 0 - 2.800000e-016276 6274 OS2 SLES 1 -59.5164 8.0225 1.95241 O2L 6272 0 0 0 - 6.500000e-016277 6275 OS3 SLES 1 -59.9514 6.80028 4.01786 O2L 6272 0 0 0 - 6.500000e-016278 6276 OS4 SLES 1 -58.9177 5.59744 2.08315 O2L 6272 0 0 0 - 6.500000e-016279 6277 C2 SLES 1 -56.8131 6.8605 3.31936 CC32A 6273 6278 6279 6280 - 1.100000e-016280 6278 H2A SLES 1 -56.4392 6.72876 2.2697 HCA2 6277 0 0 0 9.000000e-026281 6279 H2B SLES 1 -56.7906 5.87516 3.85617 HCA2 6277 0 0 0 9.000000e-026282 6280 C1 SLES 1 -56.0089 7.93985 4.07558 CC32A 6277 6281 6282 6283 - 1.000000e-026283 6281 H1B SLES 1 -56.0662 8.92638 3.5466 HCA2 6280 0 0 0 9.000000e-026284 6282 H1A SLES 1 -56.3962 8.06858 5.11606 HCA2 6280 0 0 0 9.000000e-026285 6283 O1 SLES 1 -54.6451 7.74598 4.26708 OC30A 6280 6284 0 0 - 3.400000e-016286 6284 C2 SLES 1 -54.0598 6.57094 3.73649 CC32A 6283 6285 6286 6287 - 1.000000e-026287 6285 H2A SLES 1 -54.2031 6.53012 2.61878 HCA2 6284 0 0 0 9.000000e-026288 6286 H2B SLES 1 -54.5133 5.6555 4.18352 HCA2 6284 0 0 0 9.000000e-026289 6287 C1 SLES 1 -52.6728 7.16301 4.17969 CC32A 6284 6288 6289 6290 - 1.000000e-026290 6288 H1B SLES 1 -52.332 7.16308 3.13587 HCA2 6287 0 0 0 9.000000e-026291 6289 H1A SLES 1 -52.7151 6.24413 4.8698 HCA2 6287 0 0 0 9.000000e-026292 6290 O1 SLES 1 -51.3882 7.23665 4.74213 OC30A 6287 6291 0 0 - 3.400000e-016293 6291 C1 SLES 1 -50.4077 6.3097 4.29782 CTL2 6290 6292 6293 6294 - 1.800000e-016294 6292 H11 SLES 1 -50.3182 6.18124 3.18303 HAL2 6291 0 0 0 9.000000e-026295 6293 H12 SLES 1 -50.6052 5.29629 4.72967 HAL2 6291 0 0 0 9.000000e-026296 6294 C2 SLES 1 -49.1634 6.9652 4.89538 CTL2 6291 6295 6296 6297 - 1.800000e-016297 6295 H21 SLES 1 -48.9156 7.95185 4.43526 HAL2 6294 0 0 0 9.000000e-026298 6296 H22 SLES 1 -49.2217 7.08644 6.00454 HAL2 6294 0 0 0 9.000000e-026299 6297 C3 SLES 1 -48.0957 5.99874 4.57579 CTL2 6294 6298 6299 6300 - 1.800000e-016300 6298 H31 SLES 1 -48.0982 5.92701 3.45408 HAL2 6297 0 0 0 9.000000e-026301 6299 H32 SLES 1 -48.4187 5.03819 5.06447 HAL2 6297 0 0 0 9.000000e-026302 6300 C4 SLES 1 -46.6813 6.23909 4.99365 CTL2 6297 6301 6302 6303 - 1.800000e-016303 6301 H41 SLES 1 -46.2786 7.18056 4.54504 HAL2 6300 0 0 0 9.000000e-026304 6302 H42 SLES 1 -46.5927 6.32014 6.10246 HAL2 6300 0 0 0 9.000000e-026305 6303 C5 SLES 1 -46.0652 4.95994 4.41113 CTL2 6300 6304 6305 6306 - 1.800000e-016306 6304 H51 SLES 1 -46.2517 4.90137 3.30577 HAL2 6303 0 0 0 9.000000e-026307 6305 H52 SLES 1 -46.561 4.05208 4.84515 HAL2 6303 0 0 0 9.000000e-026308 6306 C6 SLES 1 -44.622 4.76936 4.59602 CTL2 6303 6307 6308 6309 - 1.800000e-016309 6307 H61 SLES 1 -44.1893 4.63092 3.56815 HAL2 6306 0 0 0 9.000000e-026310 6308 H62 SLES 1 -44.4993 3.77934 5.11192 HAL2 6306 0 0 0 9.000000e-026311 6309 C7 SLES 1 -43.869 5.8689 5.35463 CTL2 6306 6310 6311 6312 - 1.800000e-016312 6310 H71 SLES 1 -43.8865 6.86274 4.8481 HAL2 6309 0 0 0 9.000000e-026313 6311 H72 SLES 1 -44.2003 6.00031 6.41089 HAL2 6309 0 0 0 9.000000e-026314 6312 C8 SLES 1 -42.5014 5.2901 5.30861 CTL2 6309 6313 6314 6315 - 1.800000e-016315 6313 H81 SLES 1 -42.246 5.16647 4.21883 HAL2 6312 0 0 0 9.000000e-026316 6314 H82 SLES 1 -42.5673 4.28516 5.81477 HAL2 6312 0 0 0 9.000000e-026317 6315 C9 SLES 1 -41.3569 6.00758 5.93493 CTL2 6312 6316 6317 6318 - 1.800000e-016318 6316 H91 SLES 1 -41.222 7.00503 5.45998 HAL2 6315 0 0 0 9.000000e-026319 6317 H92 SLES 1 -41.5368 6.1402 7.02546 HAL2 6315 0 0 0 9.000000e-026320 6318 C10 SLES 1 -40.2222 5.03343 5.62517 CTL2 6315 6319 6320 6321 - 1.800000e-016321 6319 H10 SLES 1 -40.1393 4.88428 4.5147 HAL2 6318 0 0 0 9.000000e-026322 6320 H10 SLES 1 -40.4517 4.02643 6.06871 HAL2 6318 0 0 0 9.000000e-026323 6321 C11 SLES 1 -38.8768 5.44884 6.12518 CTL2 6318 6322 6323 6324 - 1.800000e-016324 6322 H11 SLES 1 -38.643 6.43765 5.66623 HAL2 6321 0 0 0 9.000000e-026325 6323 H11 SLES 1 -38.9575 5.57506 7.22973 HAL2 6321 0 0 0 9.000000e-026326 6324 C12 SLES 1 -37.8443 4.38405 5.74437 CTL3 6321 6325 6326 6327 - 2.700000e-016327 6325 H12 SLES 1 -37.0723 4.82334 5.08318 HAL3 6324 0 0 0 9.000000e-026328 6326 H12 SLES 1 -37.3885 3.95392 6.65743 HAL3 6324 0 0 0 9.000000e-026329 6327 H12 SLES 1 -38.2988 3.53125 5.18263 HAL3 6324 0 0 0 9.000000e-026330 6328 NA SLES 1 -60.6595 -6.17705 4.43567 NA 0 0 0 0 1 .000000e+006331 6329 S SLES 1 -59.1292 -8.01541 2.57751 SL 6330 6331 6332 6333 1.33 0000e+006332 6330 OS1 SLES 1 -58.0918 -7.29369 3.33397 OSL 6329 6334 0 0 - 2.800000e-016333 6331 OS2 SLES 1 -59.6957 -6.76963 2.11091 O2L 6329 0 0 0 - 6.500000e-016334 6332 OS3 SLES 1 -59.7039 -8.53013 3.79902 O2L 6329 0 0 0 - 6.500000e-016335 6333 OS4 SLES 1 -58.4464 -8.89053 1.66655 O2L 6329 0 0 0 - 6.500000e-016336 6334 C2 SLES 1 -56.7306 -7.43696 3.24643 CC32A 6330 6335 6336 6337 - 1.100000e-016337 6335 H2A SLES 1 -56.3717 -7.19993 2.21009 HCA2 6334 0 0 0 9.000000e-026338 6336 H2B SLES 1 -56.4181 -8.47775 3.52692 HCA2 6334 0 0 0 9.000000e-026339 6337 C1 SLES 1 -56.2298 -6.39611 4.27087 CC32A 6334 6338 6339 6340 - 1.000000e-026340 6338 H1B SLES 1 -56.5758 -5.36574 3.99705 HCA2 6337 0 0 0 9.000000e-026341 6339 H1A SLES 1 -56.601 -6.63741 5.29711 HCA2 6337 0 0 0 9.000000e-026342 6340 O1 SLES 1 -54.8597 -6.24647 4.45678 OC30A 6337 6341 0 0 - 3.400000e-016343 6341 C2 SLES 1 -53.9916 -7.04762 3.67618 CC32A 6340 6342 6343 6344 - 1.000000e-026344 6342 H2A SLES 1 -54.157 -6.8523 2.57802 HCA2 6341 0 0 0 9.000000e-026345 6343 H2B SLES 1 -54.1588 -8.13298 3.8701 HCA2 6341 0 0 0 9.000000e-026346 6344 C1 SLES 1 -52.8074 -6.22238 4.29868 CC32A 6341 6345 6346 6347 - 1.000000e-026347 6345 H1B SLES 1 -52.5166 -5.87342 3.29903 HCA2 6344 0 0 0 9.000000e-026348 6346 H1A SLES 1 -52.5702 -7.25671 4.74171 HCA2 6344 0 0 0 9.000000e-026349 6347 O1 SLES 1 -51.5742 -5.93647 4.90661 OC30A 6344 6348 0 0 - 3.400000e-016350 6348 C1 SLES 1 -50.3921 -6.41894 4.284 CTL2 6347 6349 6350 6351 - 1.800000e-016351 6349 H11 SLES 1 -50.3095 -6.2415 3.17541 HAL2 6348 0 0 0 9.000000e-026352 6350 H12 SLES 1 -50.2868 -7.52095 4.44824 HAL2 6348 0 0 0 9.000000e-026353 6351 C2 SLES 1 -49.3571 -5.61185 5.06659 CTL2 6348 6352 6353 6354 - 1.800000e-016354 6352 H21 SLES 1 -49.4076 -4.51389 4.87019 HAL2 6351 0 0 0 9.000000e-026355 6353 H22 SLES 1 -49.4078 -5.78599 6.16906 HAL2 6351 0 0 0 9.000000e-026356 6354 C3 SLES 1 -48.0759 -6.13738 4.55825 CTL2 6351 6355 6356 6357 - 1.800000e-016357 6355 H31 SLES 1 -48.0977 -5.93095 3.45358 HAL2 6354 0 0 0 9.000000e-026358 6356 H32 SLES 1 -48.1037 -7.23879 4.78607 HAL2 6354 0 0 0 9.000000e-026359 6357 C4 SLES 1 -46.7691 -5.62535 5.07129 CTL2 6354 6358 6359 6360 - 1.800000e-016360 6358 H41 SLES 1 -46.658 -4.52945 4.88043 HAL2 6357 0 0 0 9.000000e-026361 6359 H42 SLES 1 -46.6676 -5.7962 6.16874 HAL2 6357 0 0 0 9.000000e-026362 6360 C5 SLES 1 -45.8445 -6.50212 4.21603 CTL2 6357 6361 6362 6363 - 1.800000e-016363 6361 H51 SLES 1 -46.0461 -6.33824 3.124 HAL2 6360 0 0 0 9.000000e-026364 6362 H52 SLES 1 -46.0548 -7.58893 4.39771 HAL2 6360 0 0 0 9.000000e-026365 6363 C6 SLES 1 -44.3993 -6.32587 4.39911 CTL2 6360 6364 6365 6366 - 1.800000e-016366 6364 H61 SLES 1 -43.9814 -6.08416 3.3843 HAL2 6363 0 0 0 9.000000e-026367 6365 H62 SLES 1 -43.99 -7.33824 4.66169 HAL2 6363 0 0 0 9.000000e-026368 6366 C7 SLES 1 -43.9531 -5.28097 5.42901 CTL2 6363 6367 6368 6369 - 1.800000e-016369 6367 H71 SLES 1 -44.2621 -4.23829 5.18012 HAL2 6366 0 0 0 9.000000e-026370 6368 H72 SLES 1 -44.2707 -5.50815 6.47315 HAL2 6366 0 0 0 9.000000e-026371 6369 C8 SLES 1 -42.4813 -5.4301 5.2909 CTL2 6366 6370 6371 6372 - 1.800000e-016372 6370 H81 SLES 1 -42.2399 -5.20847 4.21352 HAL2 6369 0 0 0 9.000000e-026373 6371 H82 SLES 1 -42.2494 -6.50605 5.53381 HAL2 6369 0 0 0 9.000000e-026374 6372 C9 SLES 1 -41.5584 -4.59998 6.11301 CTL2 6369 6373 6374 6375 - 1.800000e-016375 6373 H91 SLES 1 -41.7209 -3.51956 5.90092 HAL2 6372 0 0 0 9.000000e-026376 6374 H92 SLES 1 -41.7297 -4.79259 7.19594 HAL2 6372 0 0 0 9.000000e-026377 6375 C10 SLES 1 -40.2103 -5.11656 5.61465 CTL2 6372 6376 6377 6378 - 1.800000e-016378 6376 H10 SLES 1 -40.1283 -4.96124 4.50497 HAL2 6375 0 0 0 9.000000e-026379 6377 H10 SLES 1 -40.1371 -6.22431 5.79066 HAL2 6375 0 0 0 9.000000e-026380 6378 C11 SLES 1 -39.0154 -4.48093 6.24763 CTL2 6375 6379 6380 6381 - 1.800000e-016381 6379 H11 SLES 1 -39.0799 -3.38513 6.0524 HAL2 6378 0 0 0 9.000000e-026382 6380 H11 SLES 1 -39.0891 -4.6555 7.34607 HAL2 6378 0 0 0 9.000000e-026383 6381 C12 SLES 1 -37.7429 -5.09265 5.65472 CTL3 6378 6382 6383 6384 - 2.700000e-016384 6382 H12 SLES 1 -37.1458 -4.3097 5.14816 HAL3 6381 0 0 0 9.000000e-026385 6383 H12 SLES 1 -37.1544 -5.58951 6.45052 HAL3 6381 0 0 0 9.000000e-026386 6384 H12 SLES 1 -37.9636 -5.87381 4.88628 HAL3 6381 0 0 0 9.000000e-026387 6385 NA SLES 1 -57.107 -21.4617 4.75407 NA 0 0 0 0 1 .000000e+006388 6386 S SLES 1 -55.3217 -22.317 2.46154 SL 6387 6388 6389 6390 1.33 0000e+006389 6387 OS1 SLES 1 -54.4497 -21.5228 3.34368 OSL 6386 6391 0 0 - 2.800000e-016390 6388 OS2 SLES 1 -56.2437 -21.2109 2.32995 O2L 6386 0 0 0 - 6.500000e-016391 6389 OS3 SLES 1 -55.6188 -23.2376 3.53461 O2L 6386 0 0 0 - 6.500000e-016392 6390 OS4 SLES 1 -54.5182 -22.7311 1.34585 O2L 6386 0 0 0 - 6.500000e-016393 6391 C2 SLES 1 -53.1147 -21.2503 3.18715 CC32A 6387 6392 6393 6394 - 1.100000e-016394 6392 H2A SLES 1 -52.9324 -20.6917 2.23128 HCA2 6391 0 0 0 9.000000e-026395 6393 H2B SLES 1 -52.509 -22.195 3.19546 HCA2 6391 0 0 0 9.000000e-026396 6394 C1 SLES 1 -52.8175 -20.372 4.42165 CC32A 6391 6395 6396 6397 - 1.000000e-026397 6395 H1B SLES 1 -53.4519 -19.448 4.41815 HCA2 6394 0 0 0 9.000000e-026398 6396 H1A SLES 1 -53.0115 -20.9358 5.36702 HCA2 6394 0 0 0 9.000000e-026399 6397 O1 SLES 1 -51.5268 -19.8864 4.60168 OC30A 6394 6398 0 0 - 3.400000e-016400 6398 C2 SLES 1 -50.5532 -20.2087 3.62548 CC32A 6397 6399 6400 6401 - 1.000000e-026401 6399 H2A SLES 1 -50.868 -19.8236 2.61356 HCA2 6398 0 0 0 9.000000e-026402 6400 H2B SLES 1 -50.4034 -21.3113 3.55185 HCA2 6398 0 0 0 9.000000e-026403 6401 C1 SLES 1 -49.5809 -19.2459 4.39923 CC32A 6398 6402 6403 6404 - 1.000000e-026404 6402 H1B SLES 1 -49.4905 -18.6107 3.50817 HCA2 6401 0 0 0 9.000000e-026405 6403 H1A SLES 1 -49.0337 -20.243 4.56865 HCA2 6401 0 0 0 9.000000e-026406 6404 O1 SLES 1 -48.4182 -18.7683 5.02533 OC30A 6401 6405 0 0 - 3.400000e-016407 6405 C1 SLES 1 -47.2143 -18.7407 4.27192 CTL2 6404 6406 6407 6408 - 1.800000e-016408 6406 H11 SLES 1 -47.2877 -18.2995 3.23884 HAL2 6405 0 0 0 9.000000e-026409 6407 H12 SLES 1 -46.8017 -19.7748 4.15812 HAL2 6405 0 0 0 9.000000e-026410 6408 C2 SLES 1 -46.3651 -17.8736 5.20038 CTL2 6405 6409 6410 6411 - 1.800000e-016411 6409 H21 SLES 1 -46.7271 -16.8204 5.28054 HAL2 6408 0 0 0 9.000000e-026412 6410 H22 SLES 1 -46.2627 -18.3013 6.22747 HAL2 6408 0 0 0 9.000000e-026413 6411 C3 SLES 1 -45.0438 -17.884 4.54448 CTL2 6408 6412 6413 6414 - 1.800000e-016414 6412 H31 SLES 1 -45.2246 -17.4463 3.52512 HAL2 6411 0 0 0 9.000000e-026415 6413 H32 SLES 1 -44.753 -18.9698 4.49604 HAL2 6411 0 0 0 9.000000e-026416 6414 C4 SLES 1 -43.8802 -17.1533 5.13209 CTL2 6411 6415 6416 6417 - 1.800000e-016417 6415 H41 SLES 1 -44.0863 -16.0575 5.21277 HAL2 6414 0 0 0 9.000000e-026418 6416 H42 SLES 1 -43.6333 -17.5336 6.15104 HAL2 6414 0 0 0 9.000000e-026419 6417 C5 SLES 1 -42.8392 -17.513 4.06347 CTL2 6414 6418 6419 6420 - 1.800000e-016420 6418 H51 SLES 1 -43.1797 -17.1688 3.05075 HAL2 6417 0 0 0 9.000000e-026421 6419 H52 SLES 1 -42.7316 -18.6264 3.97878 HAL2 6417 0 0 0 9.000000e-026422 6420 C6 SLES 1 -41.4839 -16.9807 4.24527 CTL2 6417 6421 6422 6423 - 1.800000e-016423 6421 H61 SLES 1 -41.2442 -16.4059 3.30982 HAL2 6420 0 0 0 9.000000e-026424 6422 H62 SLES 1 -40.7947 -17.8675 4.24058 HAL2 6420 0 0 0 9.000000e-026425 6423 C7 SLES 1 -41.2396 -16.1154 5.48751 CTL2 6420 6424 6425 6426 - 1.800000e-016426 6424 H71 SLES 1 -41.8396 -15.1751 5.5102 HAL2 6423 0 0 0 9.000000e-026427 6425 H72 SLES 1 -41.3843 -16.6549 6.45226 HAL2 6423 0 0 0 9.000000e-026428 6426 C8 SLES 1 -39.8018 -15.8055 5.27756 CTL2 6423 6427 6428 6429 - 1.800000e-016429 6427 H81 SLES 1 -39.7318 -15.2852 4.28129 HAL2 6426 0 0 0 9.000000e-026430 6428 H82 SLES 1 -39.2674 -16.7973 5.243 HAL2 6426 0 0 0 9.000000e-026431 6429 C9 SLES 1 -39.0624 -14.9577 6.25297 CTL2 6426 6430 6431 6432 - 1.800000e-016432 6430 H91 SLES 1 -39.5286 -13.949 6.31664 HAL2 6429 0 0 0 9.000000e-026433 6431 H92 SLES 1 -39.0725 -15.4323 7.25985 HAL2 6429 0 0 0 9.000000e-026434 6432 C10 SLES 1 -37.6785 -14.9431 5.60715 CTL2 6429 6433 6434 6435 - 1.800000e-016435 6433 H10 SLES 1 -37.7465 -14.5224 4.56761 HAL2 6432 0 0 0 9.000000e-026436 6434 H10 SLES 1 -37.294 -15.9943 5.50422 HAL2 6432 0 0 0 9.000000e-026437 6435 C11 SLES 1 -36.644 -14.1563 6.34429 CTL2 6432 6436 6437 6438 - 1.800000e-016438 6436 H11 SLES 1 -37.0188 -13.1093 6.42543 HAL2 6435 0 0 0 9.000000e-026439 6437 H11 SLES 1 -36.564 -14.59 7.36799 HAL2 6435 0 0 0 9.000000e-026440 6438 C12 SLES 1 -35.316 -14.2302 5.58555 CTL3 6435 6439 6440 6441 - 2.700000e-016441 6439 H12 SLES 1 -35.002 -13.2162 5.27051 HAL3 6438 0 0 0 9.000000e-026442 6440 H12 SLES 1 -34.5431 -14.7074 6.21917 HAL3 6438 0 0 0 9.000000e-026443 6441 H12 SLES 1 -35.3903 -14.8454 4.65529 HAL3 6438 0 0 0 9.000000e-026444 6442 NA SLES 1 -49.7194 -35.3886 4.96226 NA 0 0 0 0 1 .000000e+006445 6443 S SLES 1 -48.1322 -35.2217 2.38789 SL 6444 6445 6446 6447 1.33 0000e+006446 6444 OS1 SLES 1 -47.3792 -34.3994 3.3502 OSL 6443 6448 0 0 - 2.800000e-016447 6445 OS2 SLES 1 -49.3216 -34.4263 2.59577 O2L 6443 0 0 0 - 6.500000e-016448 6446 OS3 SLES 1 -48.0141 -36.3815 3.24122 O2L 6443 0 0 0 - 6.500000e-016449 6447 OS4 SLES 1 -47.4226 -35.1573 1.14122 O2L 6443 0 0 0 - 6.500000e-016450 6448 C2 SLES 1 -46.2014 -33.7271 3.14526 CC32A 6444 6449 6450 6451 - 1.100000e-016451 6449 H2A SLES 1 -46.3162 -32.9628 2.33193 HCA2 6448 0 0 0 9.000000e-026452 6450 H2B SLES 1 -45.3741 -34.4386 2.88262 HCA2 6448 0 0 0 9.000000e-026453 6451 C1 SLES 1 -45.9662 -33.0618 4.51843 CC32A 6448 6452 6453 6454 - 1.000000e-026454 6452 H1B SLES 1 -46.8146 -32.379 4.78344 HCA2 6451 0 0 0 9.000000e-026455 6453 H1A SLES 1 -45.8627 -33.8323 5.32139 HCA2 6451 0 0 0 9.000000e-026456 6454 O1 SLES 1 -44.8368 -32.2691 4.69268 OC30A 6451 6455 0 0 - 3.400000e-016457 6455 C2 SLES 1 -43.9685 -32.0971 3.58757 CC32A 6454 6456 6457 6458 - 1.000000e-026458 6456 H2A SLES 1 -44.52 -31.6279 2.72315 HCA2 6455 0 0 0 9.000000e-026459 6457 H2B SLES 1 -43.5466 -33.0721 3.24877 HCA2 6455 0 0 0 9.000000e-026460 6458 C1 SLES 1 -43.1803 -31.0665 4.475 CC32A 6455 6459 6460 6461 - 1.000000e-026461 6459 H1B SLES 1 -43.3933 -30.2697 3.75016 HCA2 6458 0 0 0 9.000000e-026462 6460 H1A SLES 1 -42.3712 -31.8757 4.36152 HCA2 6458 0 0 0 9.000000e-026463 6461 O1 SLES 1 -42.1048 -30.4063 5.09084 OC30A 6458 6462 0 0 - 3.400000e-016464 6462 C1 SLES 1 -41.076 -29.8837 4.26234 CTL2 6461 6463 6464 6465 - 1.800000e-016465 6463 H11 SLES 1 -41.4151 -29.2881 3.36935 HAL2 6462 0 0 0 9.000000e-026466 6464 H12 SLES 1 -40.4274 -30.7107 3.87756 HAL2 6462 0 0 0 9.000000e-026467 6465 C2 SLES 1 -40.357 -29.0089 5.28833 CTL2 6462 6466 6467 6468 - 1.800000e-016468 6466 H21 SLES 1 -40.9673 -28.1428 5.64052 HAL2 6465 0 0 0 9.000000e-026469 6467 H22 SLES 1 -39.9946 -29.5823 6.17611 HAL2 6465 0 0 0 9.000000e-026470 6468 C3 SLES 1 -39.1918 -28.5072 4.53536 CTL2 6465 6469 6470 6471 - 1.800000e-016471 6469 H31 SLES 1 -39.6305 -27.9486 3.6642 HAL2 6468 0 0 0 9.000000e-026472 6470 H32 SLES 1 -38.6361 -29.4307 4.21257 HAL2 6468 0 0 0 9.000000e-026473 6471 C4 SLES 1 -38.1878 -27.602 5.17221 CTL2 6468 6472 6473 6474 - 1.800000e-016474 6472 H41 SLES 1 -38.6606 -26.651 5.52117 HAL2 6471 0 0 0 9.000000e-026475 6473 H42 SLES 1 -37.7013 -28.0877 6.05045 HAL2 6471 0 0 0 9.000000e-026476 6474 C5 SLES 1 -37.2591 -27.4273 3.96304 CTL2 6471 6475 6476 6477 - 1.800000e-016477 6475 H51 SLES 1 -37.8244 -27.0038 3.09063 HAL2 6474 0 0 0 9.000000e-026478 6476 H52 SLES 1 -36.8761 -28.4225 3.61469 HAL2 6474 0 0 0 9.000000e-026479 6477 C6 SLES 1 -36.0802 -26.5725 4.14416 CTL2 6474 6478 6479 6480 - 1.800000e-016480 6478 H61 SLES 1 -36.1416 -25.7804 3.34939 HAL2 6477 0 0 0 9.000000e-026481 6479 H62 SLES 1 -35.1906 -27.203 3.87506 HAL2 6477 0 0 0 9.000000e-026482 6480 C7 SLES 1 -35.8909 -25.9362 5.52646 CTL2 6477 6481 6482 6483 - 1.800000e-016483 6481 H71 SLES 1 -36.7069 -25.2333 5.8176 HAL2 6480 0 0 0 9.000000e-026484 6482 H72 SLES 1 -35.7439 -26.6735 6.34951 HAL2 6480 0 0 0 9.000000e-026485 6483 C8 SLES 1 -34.6329 -25.1886 5.26944 CTL2 6480 6484 6485 6486 - 1.800000e-016486 6484 H81 SLES 1 -34.8507 -24.4847 4.4179 HAL2 6483 0 0 0 9.000000e-026487 6485 H82 SLES 1 -33.8676 -25.9564 4.9606 HAL2 6483 0 0 0 9.000000e-026488 6486 C9 SLES 1 -34.0065 -24.3729 6.34603 CTL2 6483 6487 6488 6489 - 1.800000e-016489 6487 H91 SLES 1 -34.7069 -23.5754 6.68102 HAL2 6486 0 0 0 9.000000e-026490 6488 H92 SLES 1 -33.742 -25.0189 7.21317 HAL2 6486 0 0 0 9.000000e-026491 6489 C10 SLES 1 -32.7868 -23.8317 5.60315 CTL2 6486 6490 6491 6492 - 1.800000e-016492 6490 H10 SLES 1 -33.1164 -23.2524 4.69869 HAL2 6489 0 0 0 9.000000e-026493 6491 H10 SLES 1 -32.1589 -24.685 5.22739 HAL2 6489 0 0 0 9.000000e-026494 6492 C11 SLES 1 -31.8984 -22.9408 6.40909 CTL2 6489 6493 6494 6495 - 1.800000e-016495 6493 H11 SLES 1 -32.5191 -22.0844 6.76189 HAL2 6492 0 0 0 9.000000e-026496 6494 H11 SLES 1 -31.5562 -23.5256 7.29414 HAL2 6492 0 0 0 9.000000e-026497 6495 C12 SLES 1 -30.7253 -22.4764 5.5412 CTL3 6492 6496 6497 6498 - 2.700000e-016498 6496 H12 SLES 1 -30.7395 -21.3736 5.44255 HAL3 6495 0 0 0 9.000000e-026499 6497 H12 SLES 1 -29.7691 -22.8248 5.97792 HAL3 6495 0 0 0 9.000000e-026500 6498 H12 SLES 1 -30.7721 -22.8909 4.50417 HAL3 6495 0 0 0 9.000000e-026501 6499 NA SLES 1 -38.97 -46.9758 5.04715 NA 0 0 0 0 1 .000000e+006502 6500 S SLES 1 -38.0079 -45.9589 2.36118 SL 6501 6502 6503 6504 1.33 0000e+006503 6501 OS1 SLES 1 -37.3246 -45.1112 3.3531 OSL 6500 6505 0 0 - 2.800000e-016504 6502 OS2 SLES 1 -39.3004 -45.5868 2.89167 O2L 6500 0 0 0 - 6.500000e-016505 6503 OS3 SLES 1 -37.4294 -47.1508 2.93731 O2L 6500 0 0 0 - 6.500000e-016506 6504 OS4 SLES 1 -37.5934 -45.4992 1.06549 O2L 6500 0 0 0 - 6.500000e-016507 6505 C2 SLES 1 -36.4251 -44.1016 3.12337 CC32A 6501 6506 6507 6508 - 1.100000e-016508 6506 H2A SLES 1 -36.8897 -43.2882 2.50573 HCA2 6505 0 0 0 9.000000e-026509 6507 H2B SLES 1 -35.5076 -44.4917 2.60804 HCA2 6505 0 0 0 9.000000e-026510 6508 C1 SLES 1 -36.1117 -43.6164 4.55513 CC32A 6505 6509 6510 6511 - 1.000000e-026511 6509 H1B SLES 1 -37.0413 -43.26 5.06997 HCA2 6508 0 0 0 9.000000e-026512 6510 H1A SLES 1 -35.6582 -44.4374 5.16309 HCA2 6508 0 0 0 9.000000e-026513 6511 O1 SLES 1 -35.2164 -42.5657 4.72406 OC30A 6508 6512 0 0 - 3.400000e-016514 6512 C2 SLES 1 -34.6527 -41.9798 3.56482 CC32A 6511 6513 6514 6515 - 1.000000e-026515 6513 H2A SLES 1 -35.4632 -41.5646 2.89992 HCA2 6512 0 0 0 9.000000e-026516 6514 H2B SLES 1 -34.0645 -42.7252 2.97989 HCA2 6512 0 0 0 9.000000e-026517 6515 C1 SLES 1 -34.0049 -40.9138 4.52125 CC32A 6512 6516 6517 6518 - 1.000000e-026518 6516 H1B SLES 1 -34.5537 -40.112 4.0098 HCA2 6515 0 0 0 9.000000e-026519 6517 H1A SLES 1 -33.0503 -41.4243 4.13331 HCA2 6515 0 0 0 9.000000e-026520 6518 O1 SLES 1 -33.041 -40.0718 5.099 OC30A 6515 6519 0 0 - 3.400000e-016521 6519 C1 SLES 1 -32.3635 -39.1508 4.25586 CTL2 6518 6520 6521 6522 - 1.800000e-016522 6520 H11 SLES 1 -33.0116 -38.5498 3.55872 HAL2 6519 0 0 0 9.000000e-026523 6521 H12 SLES 1 -31.6085 -39.6832 3.62417 HAL2 6519 0 0 0 9.000000e-026524 6522 C2 SLES 1 -31.7139 -38.2733 5.32493 CTL2 6519 6523 6524 6525 - 1.800000e-016525 6523 H21 SLES 1 -32.4492 -37.6879 5.92751 HAL2 6522 0 0 0 9.000000e-026526 6524 H22 SLES 1 -31.0506 -38.8458 6.01821 HAL2 6522 0 0 0 9.000000e-026527 6525 C3 SLES 1 -30.8874 -37.344 4.53144 CTL2 6522 6526 6527 6528 - 1.800000e-016528 6526 H31 SLES 1 -31.6158 -36.8104 3.86207 HAL2 6525 0 0 0 9.000000e-026529 6527 H32 SLES 1 -30.1831 -38.0041 3.9535 HAL2 6525 0 0 0 9.000000e-026530 6528 C4 SLES 1 -30.051 -36.2948 5.18914 CTL2 6525 6529 6530 6531 - 1.800000e-016531 6529 H41 SLES 1 -30.679 -35.5886 5.78627 HAL2 6528 0 0 0 9.000000e-026532 6530 H42 SLES 1 -29.295 -36.7468 5.87332 HAL2 6528 0 0 0 9.000000e-026533 6531 C5 SLES 1 -29.4508 -35.6729 3.92104 CTL2 6528 6532 6533 6534 - 1.800000e-016534 6532 H51 SLES 1 -30.264 -35.3034 3.24113 HAL2 6531 0 0 0 9.000000e-026535 6533 H52 SLES 1 -28.8961 -36.4471 3.32832 HAL2 6531 0 0 0 9.000000e-026536 6534 C6 SLES 1 -28.5236 -34.5501 4.10214 CTL2 6531 6535 6536 6537 - 1.800000e-016537 6535 H61 SLES 1 -28.9413 -33.6977 3.50051 HAL2 6534 0 0 0 9.000000e-026538 6536 H62 SLES 1 -27.5694 -34.8444 3.58808 HAL2 6534 0 0 0 9.000000e-026539 6537 C7 SLES 1 -28.2443 -34.107 5.54341 CTL2 6534 6538 6539 6540 - 1.800000e-016540 6538 H71 SLES 1 -29.1434 -33.7262 6.08301 HAL2 6537 0 0 0 9.000000e-026541 6539 H72 SLES 1 -27.7544 -34.887 6.17138 HAL2 6537 0 0 0 9.000000e-026542 6540 C8 SLES 1 -27.2986 -32.9949 5.26704 CTL2 6537 6541 6542 6543 - 1.800000e-016543 6541 H81 SLES 1 -27.8522 -32.2627 4.61476 HAL2 6540 0 0 0 9.000000e-026544 6542 H82 SLES 1 -26.4339 -33.449 4.70437 HAL2 6540 0 0 0 9.000000e-026545 6543 C9 SLES 1 -26.7114 -32.208 6.38633 CTL2 6540 6544 6545 6546 - 1.800000e-016546 6544 H91 SLES 1 -27.5174 -31.7109 6.97116 HAL2 6543 0 0 0 9.000000e-026547 6545 H92 SLES 1 -26.1258 -32.8743 7.05884 HAL2 6543 0 0 0 9.000000e-026548 6546 C10 SLES 1 -25.8417 -31.227 5.60288 CTL2 6543 6547 6548 6549 - 1.800000e-016549 6547 H10 SLES 1 -26.4787 -30.6369 4.88997 HAL2 6546 0 0 0 9.000000e-026550 6548 H10 SLES 1 -25.0976 -31.7916 4.97756 HAL2 6546 0 0 0 9.000000e-026551 6549 C11 SLES 1 -25.0784 -30.251 6.43795 CTL2 6546 6550 6551 6552 - 1.800000e-016552 6550 H11 SLES 1 -25.8209 -29.6779 7.04064 HAL2 6549 0 0 0 9.000000e-026553 6551 H11 SLES 1 -24.4317 -30.8397 7.12914 HAL2 6549 0 0 0 9.000000e-026554 6552 C12 SLES 1 -24.2569 -29.3369 5.52446 CTL3 6549 6553 6554 6555 - 2.700000e-016555 6553 H12 SLES 1 -24.5768 -28.2847 5.65347 HAL3 6552 0 0 0 9.000000e-026556 6554 H12 SLES 1 -23.1774 -29.4543 5.74193 HAL3 6552 0 0 0 9.000000e-026557 6555 H12 SLES 1 -24.3928 -29.5821 4.44242 HAL3 6552 0 0 0 9.000000e-026558 6556 NA SLES 1 -25.5939 -55.4059 5.0034 NA 0 0 0 0 1 .000000e+006559 6557 S SLES 1 -25.5614 -53.887 2.38309 SL 6558 6559 6560 6561 1.33 0000e+006560 6558 OS1 SLES 1 -24.9194 -52.9826 3.35222 OSL 6557 6562 0 0 - 2.800000e-016561 6559 OS2 SLES 1 -26.7527 -53.9617 3.19906 O2L 6557 0 0 0 - 6.500000e-016562 6560 OS3 SLES 1 -24.5765 -54.9118 2.64197 O2L 6557 0 0 0 - 6.500000e-016563 6561 OS4 SLES 1 -25.5843 -53.1981 1.12345 O2L 6557 0 0 0 - 6.500000e-016564 6562 C2 SLES 1 -24.3916 -51.7376 3.12286 CC32A 6558 6563 6564 6565 - 1.100000e-016565 6563 H2A SLES 1 -25.1797 -51.0358 2.74174 HCA2 6562 0 0 0 9.000000e-026566 6564 H2B SLES 1 -23.5441 -51.7904 2.38899 HCA2 6562 0 0 0 9.000000e-026567 6565 C1 SLES 1 -23.9028 -51.33 4.52945 CC32A 6562 6566 6567 6568 - 1.000000e-026568 6566 H1B SLES 1 -24.7529 -51.3127 5.25973 HCA2 6565 0 0 0 9.000000e-026569 6567 H1A SLES 1 -23.1253 -52.0413 4.90207 HCA2 6565 0 0 0 9.000000e-026570 6568 O1 SLES 1 -23.3002 -50.0875 4.69385 OC30A 6565 6569 0 0 - 3.400000e-016571 6569 C2 SLES 1 -23.1853 -49.249 3.55867 CC32A 6568 6570 6571 6572 - 1.000000e-026572 6570 H2A SLES 1 -24.2043 -49.0216 3.13275 HCA2 6569 0 0 0 9.000000e-026573 6571 H2B SLES 1 -22.5695 -49.7284 2.76212 HCA2 6569 0 0 0 9.000000e-026574 6572 C1 SLES 1 -22.6419 -48.1435 4.53505 CC32A 6569 6573 6574 6575 - 1.000000e-026575 6573 H1B SLES 1 -23.4821 -47.4879 4.27077 HCA2 6572 0 0 0 9.000000e-026576 6574 H1A SLES 1 -21.6994 -48.3131 3.89838 HCA2 6572 0 0 0 9.000000e-026577 6575 O1 SLES 1 -21.8281 -47.1211 5.04932 OC30A 6572 6576 0 0 - 3.400000e-016578 6576 C1 SLES 1 -21.6234 -45.9628 4.25288 CTL2 6575 6577 6578 6579 - 1.800000e-016579 6577 H11 SLES 1 -22.5459 -45.5082 3.79506 HAL2 6576 0 0 0 9.000000e-026580 6578 H12 SLES 1 -20.9172 -46.1863 3.41389 HAL2 6576 0 0 0 9.000000e-026581 6579 C2 SLES 1 -21.0034 -45.0475 5.30786 CTL2 6576 6580 6581 6582 - 1.800000e-016582 6580 H21 SLES 1 -21.7116 -44.7648 6.12349 HAL2 6579 0 0 0 9.000000e-026583 6581 H22 SLES 1 -20.075 -45.4701 5.76368 HAL2 6579 0 0 0 9.000000e-026584 6582 C3 SLES 1 -20.6499 -43.843 4.53298 CTL2 6579 6583 6584 6585 - 1.800000e-016585 6583 H31 SLES 1 -21.6238 -43.4787 4.10632 HAL2 6582 0 0 0 9.000000e-026586 6584 H32 SLES 1 -19.9458 -44.2082 3.7351 HAL2 6582 0 0 0 9.000000e-026587 6585 C4 SLES 1 -19.9921 -42.6686 5.18181 CTL2 6582 6586 6587 6588 - 1.800000e-016588 6586 H41 SLES 1 -20.6324 -42.2392 5.9914 HAL2 6585 0 0 0 9.000000e-026589 6587 H42 SLES 1 -19.0103 -42.9486 5.63075 HAL2 6585 0 0 0 9.000000e-026590 6588 C5 SLES 1 -19.8771 -41.7741 3.94011 CTL2 6585 6589 6590 6591 - 1.800000e-016591 6589 H51 SLES 1 -20.89 -41.5896 3.4928 HAL2 6588 0 0 0 9.000000e-026592 6590 H52 SLES 1 -19.2868 -42.2899 3.13765 HAL2 6588 0 0 0 9.000000e-026593 6591 C6 SLES 1 -19.2606 -40.4549 4.12186 CTL2 6588 6592 6593 6594 - 1.800000e-016594 6592 H61 SLES 1 -20.0113 -39.7041 3.75369 HAL2 6591 0 0 0 9.000000e-026595 6593 H62 SLES 1 -18.4035 -40.4062 3.39768 HAL2 6591 0 0 0 9.000000e-026596 6594 C7 SLES 1 -18.7906 -40.0983 5.53729 CTL2 6591 6595 6596 6597 - 1.800000e-016597 6595 H71 SLES 1 -19.6129 -40.0514 6.28976 HAL2 6594 0 0 0 9.000000e-026598 6596 H72 SLES 1 -17.9852 -40.7621 5.92904 HAL2 6594 0 0 0 9.000000e-026599 6597 C8 SLES 1 -18.2568 -38.7376 5.27051 CTL2 6594 6598 6599 6600 - 1.800000e-016600 6598 H81 SLES 1 -19.115 -38.1354 4.85949 HAL2 6597 0 0 0 9.000000e-026601 6599 H82 SLES 1 -17.4528 -38.8619 4.4904 HAL2 6597 0 0 0 9.000000e-026602 6600 C9 SLES 1 -17.6604 -37.9318 6.37136 CTL2 6597 6601 6602 6603 - 1.800000e-016603 6601 H91 SLES 1 -18.4157 -37.7519 7.16883 HAL2 6600 0 0 0 9.000000e-026604 6602 H92 SLES 1 -16.7849 -38.4641 6.80654 HAL2 6600 0 0 0 9.000000e-026605 6603 C10 SLES 1 -17.2776 -36.6666 5.60637 CTL2 6600 6604 6605 6606 - 1.800000e-016606 6604 H10 SLES 1 -18.1904 -36.2177 5.12944 HAL2 6603 0 0 0 9.000000e-026607 6605 H10 SLES 1 -16.5719 -36.9247 4.77043 HAL2 6603 0 0 0 9.000000e-026608 6606 C11 SLES 1 -16.6294 -35.601 6.42907 CTL2 6603 6607 6608 6609 - 1.800000e-016609 6607 H11 SLES 1 -17.341 -35.3321 7.24416 HAL2 6606 0 0 0 9.000000e-026610 6608 H11 SLES 1 -15.7128 -36.0436 6.88337 HAL2 6606 0 0 0 9.000000e-026611 6609 C12 SLES 1 -16.3035 -34.4003 5.53637 CTL3 6606 6610 6611 6612 - 2.700000e-016612 6610 H12 SLES 1 -16.8506 -33.5049 5.89001 HAL3 6609 0 0 0 9.000000e-026613 6611 H12 SLES 1 -15.2107 -34.2208 5.52602 HAL3 6609 0 0 0 9.000000e-026614 6612 H12 SLES 1 -16.61 -34.5634 4.47391 HAL3 6609 0 0 0 9.000000e-026615 6613 NA SLES 1 -10.5264 -60.0999 4.83377 NA 0 0 0 0 1 .000000e+006616 6614 S SLES 1 -11.5384 -58.5256 2.45224 SL 6615 6616 6617 6618 1.33 0000e+006617 6615 OS1 SLES 1 -10.9458 -57.5174 3.34759 OSL 6614 6619 0 0 - 2.800000e-016618 6616 OS2 SLES 1 -12.4312 -58.9713 3.49862 O2L 6614 0 0 0 - 6.500000e-016619 6617 OS3 SLES 1 -10.2834 -59.2369 2.37374 O2L 6614 0 0 0 - 6.500000e-016620 6618 OS4 SLES 1 -12.0498 -57.8193 1.31143 O2L 6614 0 0 0 - 6.500000e-016621 6619 C2 SLES 1 -10.8419 -56.1651 3.14377 CC32A 6615 6620 6621 6622 - 1.100000e-016622 6620 H2A SLES 1 -11.8569 -55.7018 3.02514 HCA2 6619 0 0 0 9.000000e-026623 6621 H2B SLES 1 -10.2158 -55.9429 2.23923 HCA2 6619 0 0 0 9.000000e-026624 6622 C1 SLES 1 -10.1532 -55.6947 4.44301 CC32A 6619 6623 6624 6625 - 1.000000e-026625 6623 H1B SLES 1 -10.7732 -55.9515 5.3408 HCA2 6622 0 0 0 9.000000e-026626 6624 H1A SLES 1 -9.14762 -56.1697 4.55472 HCA2 6622 0 0 0 9.000000e-026627 6625 O1 SLES 1 -9.88312 -54.34 4.60394 OC30A 6622 6626 0 0 - 3.400000e-016628 6626 C2 SLES 1 -10.2758 -53.4565 3.56951 CC32A 6625 6627 6628 6629 - 1.000000e-026629 6627 H2A SLES 1 -11.3902 -53.5114 3.40701 HCA2 6626 0 0 0 9.000000e-026630 6628 H2B SLES 1 -9.76695 -53.7062 2.60914 HCA2 6626 0 0 0 9.000000e-026631 6629 C1 SLES 1 -9.827 -52.2841 4.51555 CC32A 6626 6630 6631 6632 - 1.000000e-026632 6630 H1B SLES 1 -10.8499 -51.8849 4.51667 HCA2 6629 0 0 0 9.000000e-026633 6631 H1A SLES 1 -9.05748 -52.1508 3.67149 HCA2 6629 0 0 0 9.000000e-026634 6632 O1 SLES 1 -9.2163 -51.0947 4.94491 OC30A 6629 6633 0 0 - 3.400000e-016635 6633 C1 SLES 1 -9.52821 -49.8936 4.2536 CTL2 6632 6634 6635 6636 - 1.800000e-016636 6634 H11 SLES 1 -10.6211 -49.7022 4.06353 HAL2 6633 0 0 0 9.000000e-026637 6635 H12 SLES 1 -9.01385 -49.8708 3.25992 HAL2 6633 0 0 0 9.000000e-026638 6636 C2 SLES 1 -8.93821 -48.8849 5.23822 CTL2 6633 6637 6638 6639 - 1.800000e-016639 6637 H21 SLES 1 -9.47593 -48.8506 6.21613 HAL2 6636 0 0 0 9.000000e-026640 6638 H22 SLES 1 -7.84879 -49.0439 5.42851 HAL2 6636 0 0 0 9.000000e-026641 6639 C3 SLES 1 -9.11847 -47.598 4.53988 CTL2 6636 6640 6641 6642 - 1.800000e-016642 6640 H31 SLES 1 -10.2277 -47.509 4.38158 HAL2 6639 0 0 0 9.000000e-026643 6641 H32 SLES 1 -8.55815 -47.7132 3.57109 HAL2 6639 0 0 0 9.000000e-026644 6642 C4 SLES 1 -8.66114 -46.3132 5.15069 CTL2 6639 6643 6644 6645 - 1.800000e-016645 6643 H41 SLES 1 -9.17623 -46.1189 6.12367 HAL2 6642 0 0 0 9.000000e-026646 6644 H42 SLES 1 -7.56171 -46.3203 5.338 HAL2 6642 0 0 0 9.000000e-026647 6645 C5 SLES 1 -9.09442 -45.3715 4.01906 CTL2 6642 6646 6647 6648 - 1.800000e-016648 6646 H51 SLES 1 -10.1969 -45.4649 3.82983 HAL2 6645 0 0 0 9.000000e-026649 6647 H52 SLES 1 -8.60116 -45.6631 3.05466 HAL2 6645 0 0 0 9.000000e-026650 6648 C6 SLES 1 -8.82767 -43.9402 4.20206 CTL2 6645 6649 6650 6651 - 1.800000e-016651 6649 H61 SLES 1 -9.81772 -43.4198 4.09303 HAL2 6648 0 0 0 9.000000e-026652 6650 H62 SLES 1 -8.21741 -43.6185 3.31583 HAL2 6648 0 0 0 9.000000e-026653 6651 C7 SLES 1 -8.14074 -43.5244 5.5085 CTL2 6648 6652 6653 6654 - 1.800000e-016654 6652 H71 SLES 1 -8.73728 -43.7458 6.42485 HAL2 6651 0 0 0 9.000000e-026655 6653 H72 SLES 1 -7.11722 -43.9468 5.63773 HAL2 6651 0 0 0 9.000000e-026656 6654 C8 SLES 1 -8.07118 -42.058 5.27964 CTL2 6651 6655 6656 6657 - 1.800000e-016657 6655 H81 SLES 1 -9.1322 -41.7088 5.13673 HAL2 6654 0 0 0 9.000000e-026658 6656 H82 SLES 1 -7.47775 -41.9147 4.33214 HAL2 6654 0 0 0 9.000000e-026659 6657 C9 SLES 1 -7.46281 -41.1628 6.30204 CTL2 6654 6658 6659 6660 - 1.800000e-016660 6658 H91 SLES 1 -8.02139 -41.2395 7.26162 HAL2 6657 0 0 0 9.000000e-026661 6659 H92 SLES 1 -6.39848 -41.4411 6.47214 HAL2 6657 0 0 0 9.000000e-026662 6660 C10 SLES 1 -7.62956 -39.8098 5.61341 CTL2 6657 6661 6662 6663 - 1.800000e-016663 6661 H10 SLES 1 -8.71659 -39.6202 5.40205 HAL2 6660 0 0 0 9.000000e-026664 6662 H10 SLES 1 -7.10562 -39.8203 4.61901 HAL2 6660 0 0 0 9.000000e-026665 6663 C11 SLES 1 -7.10982 -38.6393 6.383 CTL2 6660 6664 6665 6666 - 1.800000e-016666 6664 H11 SLES 1 -7.64722 -38.6192 7.35966 HAL2 6663 0 0 0 9.000000e-026667 6665 H11 SLES 1 -6.02645 -38.8208 6.57227 HAL2 6663 0 0 0 9.000000e-026668 6666 C12 SLES 1 -7.34348 -37.3589 5.5762 CTL3 6663 6667 6668 6669 - 2.700000e-016669 6667 H12 SLES 1 -8.00689 -36.6725 6.13732 HAL3 6666 0 0 0 9.000000e-026670 6668 H12 SLES 1 -6.37488 -36.8749 5.34377 HAL3 6666 0 0 0 9.000000e-026671 6669 H12 SLES 1 -7.8439 -37.5577 4.59668 HAL3 6666 0 0 0 9.000000e-026672 6670 NA SLES 1 5.17836 -60.7651 4.54892 NA 0 0 0 0 1 .000000e+006673 6671 S SLES 1 3.22032 -59.5812 2.56429 SL 6672 6673 6674 6675 1.33 0000e+006674 6672 OS1 SLES 1 3.71491 -58.4306 3.33952 OSL 6671 6676 0 0 - 2.800000e-016675 6673 OS2 SLES 1 2.76974 -60.237 3.77153 O2L 6671 0 0 0 - 6.500000e-016676 6674 OS3 SLES 1 4.56294 -59.9167 2.1495 O2L 6671 0 0 0 - 6.500000e-016677 6675 OS4 SLES 1 2.27074 -59.0674 1.61763 O2L 6671 0 0 0 - 6.500000e-016678 6676 C2 SLES 1 3.39059 -57.107 3.18478 CC32A 6672 6677 6678 6679 - 1.100000e-016679 6677 H2A SLES 1 2.29073 -56.9467 3.33813 HCA2 6676 0 0 0 9.000000e-026680 6678 H2B SLES 1 3.68941 -56.7372 2.16817 HCA2 6676 0 0 0 9.000000e-026681 6679 C1 SLES 1 4.22132 -56.4384 4.30122 CC32A 6676 6680 6681 6682 - 1.000000e-026682 6680 H1B SLES 1 3.936 -56.8398 5.30809 HCA2 6679 0 0 0 9.000000e-026683 6681 H1A SLES 1 5.3139 -56.6127 4.14287 HCA2 6679 0 0 0 9.000000e-026684 6682 O1 SLES 1 4.14045 -55.0591 4.45999 OC30A 6679 6683 0 0 - 3.400000e-016685 6683 C2 SLES 1 3.27883 -54.34 3.59665 CC32A 6682 6684 6685 6686 - 1.000000e-026686 6684 H2A SLES 1 2.21781 -54.7059 3.70549 HCA2 6683 0 0 0 9.000000e-026687 6685 H2B SLES 1 3.58429 -54.4571 2.53056 HCA2 6683 0 0 0 9.000000e-026688 6686 C1 SLES 1 3.60713 -53.0708 4.46398 CC32A 6683 6687 6688 6689 - 1.000000e-026689 6687 H1B SLES 1 2.54695 -52.9719 4.73205 HCA2 6686 0 0 0 9.000000e-026690 6688 H1A SLES 1 4.07851 -52.7453 3.46688 HCA2 6686 0 0 0 9.000000e-026691 6689 O1 SLES 1 3.95429 -51.7504 4.79233 OC30A 6686 6690 0 0 - 3.400000e-016692 6690 C1 SLES 1 3.16498 -50.6971 4.25797 CTL2 6689 6691 6692 6693 - 1.800000e-016693 6691 H11 SLES 1 2.04965 -50.821 4.34724 HAL2 6690 0 0 0 9.000000e-026694 6692 H12 SLES 1 3.39267 -50.5516 3.17193 HAL2 6690 0 0 0 9.000000e-026695 6693 C2 SLES 1 3.67896 -49.5451 5.12036 CTL2 6690 6694 6695 6696 - 1.800000e-016696 6694 H21 SLES 1 3.41002 -49.6426 6.19963 HAL2 6693 0 0 0 9.000000e-026697 6695 H22 SLES 1 4.7822 -49.3912 5.03378 HAL2 6693 0 0 0 9.000000e-026698 6696 C3 SLES 1 2.98681 -48.373 4.55171 CTL2 6693 6697 6698 6699 - 1.800000e-016699 6697 H31 SLES 1 1.8922 -48.5991 4.67058 HAL2 6696 0 0 0 9.000000e-026700 6698 H32 SLES 1 3.30118 -48.3468 3.47177 HAL2 6696 0 0 0 9.000000e-026701 6699 C4 SLES 1 3.20982 -47 5.09773 CTL2 6696 6700 6701 6702 - 1.800000e-016702 6700 H41 SLES 1 2.91683 -46.9377 6.17478 HAL2 6699 0 0 0 9.000000e-026703 6701 H42 SLES 1 4.27997 -46.6974 5.01347 HAL2 6699 0 0 0 9.000000e-026704 6702 C5 SLES 1 2.27058 -46.2383 4.15292 CTL2 6699 6703 6704 6705 - 1.800000e-016705 6703 H51 SLES 1 1.22466 -46.6382 4.23103 HAL2 6702 0 0 0 9.000000e-026706 6704 H52 SLES 1 2.57208 -46.4 3.08458 HAL2 6702 0 0 0 9.000000e-026707 6705 C6 SLES 1 2.17108 -44.786 4.33771 CTL2 6702 6706 6707 6708 - 1.800000e-016708 6706 H61 SLES 1 1.08111 -44.5637 4.4972 HAL2 6705 0 0 0 9.000000e-026709 6707 H62 SLES 1 2.43237 -44.3246 3.34766 HAL2 6705 0 0 0 9.000000e-026710 6708 C7 SLES 1 3.01685 -44.1701 5.45883 CTL2 6705 6709 6710 6711 - 1.800000e-016711 6709 H71 SLES 1 2.74822 -44.5307 6.4798 HAL2 6708 0 0 0 9.000000e-026712 6710 H72 SLES 1 4.11604 -44.2886 5.31576 HAL2 6708 0 0 0 9.000000e-026713 6711 C8 SLES 1 2.62314 -42.7469 5.29385 CTL2 6708 6712 6713 6714 - 1.800000e-016714 6712 H81 SLES 1 1.50581 -42.7094 5.42905 HAL2 6711 0 0 0 9.000000e-026715 6713 H82 SLES 1 2.90266 -42.4628 4.23953 HAL2 6711 0 0 0 9.000000e-026716 6714 C9 SLES 1 3.19459 -41.6981 6.18273 CTL2 6711 6715 6716 6717 - 1.800000e-016717 6715 H91 SLES 1 2.9322 -41.9084 7.24368 HAL2 6714 0 0 0 9.000000e-026718 6716 H92 SLES 1 4.30226 -41.666 6.07665 HAL2 6714 0 0 0 9.000000e-026719 6717 C10 SLES 1 2.49927 -40.4585 5.62354 CTL2 6714 6718 6719 6720 - 1.800000e-016720 6718 H10 SLES 1 1.38469 -40.5829 5.69067 HAL2 6717 0 0 0 9.000000e-026721 6719 H10 SLES 1 2.74483 -40.3424 4.53283 HAL2 6717 0 0 0 9.000000e-026722 6720 C11 SLES 1 2.85068 -39.1749 6.30264 CTL2 6717 6721 6722 6723 - 1.800000e-016723 6721 H11 SLES 1 2.58563 -39.2859 7.37989 HAL2 6720 0 0 0 9.000000e-026724 6722 H11 SLES 1 3.95422 -39.0442 6.21539 HAL2 6720 0 0 0 9.000000e-026725 6723 C12 SLES 1 2.08401 -38.026 5.64143 CTL3 6720 6724 6725 6726 - 2.700000e-016726 6724 H12 SLES 1 1.41693 -37.5403 6.37984 HAL3 6723 0 0 0 9.000000e-026727 6725 H12 SLES 1 2.79467 -37.2964 5.20662 HAL3 6723 0 0 0 9.000000e-026728 6726 H12 SLES 1 1.43249 -38.3752 4.803 HAL3 6723 0 0 0 9.000000e-026729 6727 NA SLES 1 20.4409 -57.4134 4.16674 NA 0 0 0 0 1 .000000e+006730 6728 S SLES 1 17.822 -56.9661 2.7122 SL 6729 6730 6731 6732 1.33 0000e+006731 6729 OS1 SLES 1 18.1389 -55.6664 3.32851 OSL 6728 6733 0 0 - 2.800000e-016732 6730 OS2 SLES 1 17.8691 -57.6205 4.00064 O2L 6728 0 0 0 - 6.500000e-016733 6731 OS3 SLES 1 19.0694 -56.9581 1.98332 O2L 6728 0 0 0 - 6.500000e-016734 6732 OS4 SLES 1 16.5726 -56.8058 2.02282 O2L 6728 0 0 0 - 6.500000e-016735 6733 C2 SLES 1 17.4279 -54.4967 3.24332 CC32A 6729 6734 6735 6736 - 1.100000e-016736 6734 H2A SLES 1 16.3948 -54.628 3.66103 HCA2 6733 0 0 0 9.000000e-026737 6735 H2B SLES 1 17.3646 -54.1424 2.18026 HCA2 6733 0 0 0 9.000000e-026738 6736 C1 SLES 1 18.273 -53.5411 4.11301 CC32A 6733 6737 6738 6739 - 1.000000e-026739 6737 H1B SLES 1 18.3554 -53.9228 5.16366 HCA2 6736 0 0 0 9.000000e-026740 6738 H1A SLES 1 19.302 -53.4255 3.6924 HCA2 6736 0 0 0 9.000000e-026741 6739 O1 SLES 1 17.846 -52.227 4.27104 OC30A 6736 6740 0 0 - 3.400000e-016742 6740 C2 SLES 1 16.6401 -51.8393 3.63839 CC32A 6739 6741 6742 6743 - 1.000000e-026743 6741 H2A SLES 1 15.7811 -52.4686 4.0094 HCA2 6740 0 0 0 9.000000e-026744 6742 H2B SLES 1 16.7087 -51.9543 2.53131 HCA2 6740 0 0 0 9.000000e-026745 6743 C1 SLES 1 16.7902 -50.4634 4.38356 CC32A 6740 6744 6745 6746 - 1.000000e-026746 6744 H1B SLES 1 15.8382 -50.6338 4.90338 HCA2 6743 0 0 0 9.000000e-026747 6745 H1A SLES 1 16.9046 -50.1034 3.29743 HCA2 6743 0 0 0 9.000000e-026748 6746 O1 SLES 1 16.8177 -49.0764 4.60118 OC30A 6743 6747 0 0 - 3.400000e-016749 6747 C1 SLES 1 15.6616 -48.3222 4.26571 CTL2 6746 6748 6749 6750 - 1.800000e-016750 6748 H11 SLES 1 14.6794 -48.7355 4.62839 HAL2 6747 0 0 0 9.000000e-026751 6749 H12 SLES 1 15.5792 -48.2079 3.15546 HAL2 6747 0 0 0 9.000000e-026752 6750 C2 SLES 1 16.0165 -47.0089 4.9617 CTL2 6747 6751 6752 6753 - 1.800000e-016753 6751 H21 SLES 1 16.0454 -47.0888 6.075 HAL2 6750 0 0 0 9.000000e-026754 6752 H22 SLES 1 16.9796 -46.5697 4.60427 HAL2 6750 0 0 0 9.000000e-026755 6753 C3 SLES 1 14.9093 -46.1171 4.56772 CTL2 6750 6754 6755 6756 - 1.800000e-016756 6754 H31 SLES 1 13.982 -46.6205 4.95513 HAL2 6753 0 0 0 9.000000e-026757 6755 H32 SLES 1 14.9426 -46.0934 3.44339 HAL2 6753 0 0 0 9.000000e-026758 6756 C4 SLES 1 14.8573 -44.6958 5.02626 CTL2 6753 6757 6758 6759 - 1.800000e-016759 6757 H41 SLES 1 14.8182 -44.629 6.1415 HAL2 6756 0 0 0 9.000000e-026760 6758 H42 SLES 1 15.7483 -44.1228 4.67753 HAL2 6756 0 0 0 9.000000e-026761 6759 C5 SLES 1 13.5481 -44.2947 4.33329 CTL2 6756 6760 6761 6762 - 1.800000e-016762 6760 H51 SLES 1 12.7056 -44.9551 4.67119 HAL2 6759 0 0 0 9.000000e-026763 6761 H52 SLES 1 13.6251 -44.4538 3.22552 HAL2 6759 0 0 0 9.000000e-026764 6762 C6 SLES 1 13.0892 -42.9135 4.52029 CTL2 6759 6763 6764 6765 - 1.800000e-016765 6763 H61 SLES 1 12.0494 -42.9823 4.94081 HAL2 6762 0 0 0 9.000000e-026766 6764 H62 SLES 1 12.9715 -42.4795 3.49118 HAL2 6762 0 0 0 9.000000e-026767 6765 C7 SLES 1 13.9643 -42.0041 5.39141 CTL2 6762 6766 6767 6768 - 1.800000e-016768 6766 H71 SLES 1 14.054 -42.341 6.45114 HAL2 6765 0 0 0 9.000000e-026769 6767 H72 SLES 1 14.9873 -41.8319 4.98335 HAL2 6765 0 0 0 9.000000e-026770 6768 C8 SLES 1 13.1583 -40.7584 5.31225 CTL2 6765 6769 6770 6771 - 1.800000e-016771 6769 H81 SLES 1 12.1394 -41.0138 5.71808 HAL2 6768 0 0 0 9.000000e-026772 6770 H82 SLES 1 13.0924 -40.4947 4.21839 HAL2 6768 0 0 0 9.000000e-026773 6771 C9 SLES 1 13.6018 -39.5264 6.02093 CTL2 6768 6772 6773 6774 - 1.800000e-016774 6772 H91 SLES 1 13.6643 -39.7142 7.11616 HAL2 6771 0 0 0 9.000000e-026775 6773 H92 SLES 1 14.5989 -39.2046 5.64491 HAL2 6771 0 0 0 9.000000e-026776 6774 C10 SLES 1 12.4749 -38.5701 5.63613 CTL2 6771 6775 6776 6777 - 1.800000e-016777 6775 H10 SLES 1 11.4883 -38.9855 5.97717 HAL2 6774 0 0 0 9.000000e-026778 6776 H10 SLES 1 12.4163 -38.4795 4.51728 HAL2 6774 0 0 0 9.000000e-026779 6777 C11 SLES 1 12.5986 -37.1891 6.19303 CTL2 6774 6778 6779 6780 - 1.800000e-016780 6778 H11 SLES 1 12.6345 -37.2811 7.30357 HAL2 6777 0 0 0 9.000000e-026781 6779 H11 SLES 1 13.5685 -36.7723 5.83515 HAL2 6777 0 0 0 9.000000e-026782 6780 C12 SLES 1 11.407 -36.3472 5.72797 CTL3 6777 6781 6782 6783 - 2.700000e-016783 6781 H12 SLES 1 10.8215 -36.0026 6.60235 HAL3 6780 0 0 0 9.000000e-026784 6782 H12 SLES 1 11.7614 -35.4898 5.1232 HAL3 6780 0 0 0 9.000000e-026785 6783 H12 SLES 1 10.7035 -36.9256 5.07991 HAL3 6780 0 0 0 9.000000e-026786 6784 NA SLES 1 34.2467 -50.3474 3.71125 NA 0 0 0 0 1 .000000e+006787 6785 S SLES 1 31.3691 -50.8094 2.88667 SL 6786 6787 6788 6789 1.33 0000e+006788 6786 OS1 SLES 1 31.418 -49.4012 3.31525 OSL 6785 6790 0 0 - 2.800000e-016789 6787 OS2 SLES 1 31.8671 -51.2473 4.17156 O2L 6785 0 0 0 - 6.500000e-016790 6788 OS3 SLES 1 32.3832 -50.571 1.88565 O2L 6785 0 0 0 - 6.500000e-016791 6789 OS4 SLES 1 30.0125 -51.08 2.50152 O2L 6785 0 0 0 - 6.500000e-016792 6790 C2 SLES 1 30.3986 -48.4836 3.3157 CC32A 6786 6791 6792 6793 - 1.100000e-016793 6791 H2A SLES 1 29.5564 -48.8254 3.97356 HCA2 6790 0 0 0 9.000000e-026794 6792 H2B SLES 1 30.0184 -48.3062 2.27477 HCA2 6790 0 0 0 9.000000e-026795 6793 C1 SLES 1 31.0928 -47.23 3.8902 CC32A 6790 6794 6795 6796 - 1.000000e-026796 6794 H1B SLES 1 31.4963 -47.4302 4.91657 HCA2 6793 0 0 0 9.000000e-026797 6795 H1A SLES 1 31.9352 -46.9047 3.23162 HCA2 6793 0 0 0 9.000000e-026798 6796 O1 SLES 1 30.3476 -46.0666 4.04896 OC30A 6793 6797 0 0 - 3.400000e-016799 6797 C2 SLES 1 28.9778 -46.1008 3.6921 CC32A 6796 6798 6799 6800 - 1.000000e-026800 6798 H2A SLES 1 28.4322 -46.8784 4.29968 HCA2 6797 0 0 0 9.000000e-026801 6799 H2B SLES 1 28.847 -46.3426 2.61136 HCA2 6797 0 0 0 9.000000e-026802 6800 C1 SLES 1 28.8753 -44.6463 4.27936 CC32A 6797 6801 6802 6803 - 1.000000e-026803 6801 H1B SLES 1 28.1412 -44.9901 5.0199 HCA2 6800 0 0 0 9.000000e-026804 6802 H1A SLES 1 28.6549 -44.4195 3.17376 HCA2 6800 0 0 0 9.000000e-026805 6803 O1 SLES 1 28.5464 -43.2851 4.38345 OC30A 6800 6804 0 0 - 3.400000e-016806 6804 C1 SLES 1 27.1788 -42.9159 4.27634 CTL2 6803 6805 6806 6807 - 1.800000e-016807 6805 H11 SLES 1 26.454 -43.521 4.88929 HAL2 6804 0 0 0 9.000000e-026808 6806 H12 SLES 1 26.8401 -42.9791 3.21155 HAL2 6804 0 0 0 9.000000e-026809 6807 C2 SLES 1 27.2757 -41.4738 4.77221 CTL2 6804 6808 6809 6810 - 1.800000e-016810 6808 H21 SLES 1 27.5551 -41.3915 5.85009 HAL2 6807 0 0 0 9.000000e-026811 6809 H22 SLES 1 27.9764 -40.8483 4.16699 HAL2 6807 0 0 0 9.000000e-026812 6810 C3 SLES 1 25.9023 -40.9682 4.58691 CTL2 6807 6811 6812 6813 - 1.800000e-016813 6811 H31 SLES 1 25.2599 -41.6414 5.21738 HAL2 6810 0 0 0 9.000000e-026814 6812 H32 SLES 1 25.695 -41.0891 3.48773 HAL2 6810 0 0 0 9.000000e-026815 6813 C4 SLES 1 25.5387 -39.5627 4.94077 CTL2 6810 6814 6815 6816 - 1.800000e-016816 6814 H41 SLES 1 25.7126 -39.358 6.02595 HAL2 6813 0 0 0 9.000000e-026817 6815 H42 SLES 1 26.135 -38.8273 4.3513 HAL2 6813 0 0 0 9.000000e-026818 6816 C5 SLES 1 24.056 -39.6195 4.54883 CTL2 6813 6817 6818 6819 - 1.800000e-016819 6817 H51 SLES 1 23.528 -40.4269 5.12267 HAL2 6816 0 0 0 9.000000e-026820 6818 H52 SLES 1 23.9457 -39.9013 3.46863 HAL2 6816 0 0 0 9.000000e-026821 6819 C6 SLES 1 23.2676 -38.3965 4.73833 CTL2 6816 6820 6821 6822 - 1.800000e-016822 6820 H61 SLES 1 22.4015 -38.68 5.39598 HAL2 6819 0 0 0 9.000000e-026823 6821 H62 SLES 1 22.8204 -38.1527 3.73737 HAL2 6819 0 0 0 9.000000e-026824 6822 C7 SLES 1 24.0034 -37.1788 5.31048 CTL2 6819 6823 6824 6825 - 1.800000e-016825 6823 H71 SLES 1 24.4027 -37.3332 6.34069 HAL2 6822 0 0 0 9.000000e-026826 6824 H72 SLES 1 24.8265 -36.7994 4.66139 HAL2 6822 0 0 0 9.000000e-026827 6825 C8 SLES 1 22.8745 -36.2131 5.33369 CTL2 6822 6826 6827 6828 - 1.800000e-016828 6826 H81 SLES 1 22.0788 -36.6712 5.98567 HAL2 6825 0 0 0 9.000000e-026829 6827 H82 SLES 1 22.5117 -36.1269 4.27005 HAL2 6825 0 0 0 9.000000e-026830 6828 C9 SLES 1 23.0804 -34.8234 5.82681 CTL2 6825 6829 6830 6831 - 1.800000e-016831 6829 H91 SLES 1 23.4186 -34.8378 6.88706 HAL2 6828 0 0 0 9.000000e-026832 6830 H92 SLES 1 23.8428 -34.3036 5.20405 HAL2 6828 0 0 0 9.000000e-026833 6831 C10 SLES 1 21.6718 -34.2602 5.65039 CTL2 6828 6832 6833 6834 - 1.800000e-016834 6832 H10 SLES 1 20.939 -34.8713 6.24353 HAL2 6831 0 0 0 9.000000e-026835 6833 H10 SLES 1 21.3605 -34.3409 4.57336 HAL2 6831 0 0 0 9.000000e-026836 6834 C11 SLES 1 21.5044 -32.8334 6.06106 CTL2 6831 6835 6836 6837 - 1.800000e-016837 6835 H11 SLES 1 21.7932 -32.7612 7.1355 HAL2 6834 0 0 0 9.000000e-026838 6836 H11 SLES 1 22.2176 -32.2276 5.45544 HAL2 6834 0 0 0 9.000000e-026839 6837 C12 SLES 1 20.0517 -32.4073 5.83038 CTL3 6834 6838 6839 6840 - 2.700000e-016840 6838 H12 SLES 1 19.585 -32.1145 6.79087 HAL3 6837 0 0 0 9.000000e-026841 6839 H12 SLES 1 20.0115 -31.577 5.09873 HAL3 6837 0 0 0 9.000000e-026842 6840 H12 SLES 1 19.4269 -33.2334 5.41001 HAL3 6837 0 0 0 9.000000e-026843 6841 NA SLES 1 45.7242 -40.118 3.21106 NA 0 0 0 0 1 .000000e+006844 6842 S SLES 1 43.0109 -41.4576 3.07674 SL 6843 6844 6845 6846 1.33 0000e+006845 6843 OS1 SLES 1 42.7178 -40.0317 3.30058 OSL 6842 6847 0 0 - 2.800000e-016846 6844 OS2 SLES 1 43.8207 -41.5082 4.27354 O2L 6842 0 0 0 - 6.500000e-016847 6845 OS3 SLES 1 43.7309 -41.1496 1.86263 O2L 6842 0 0 0 - 6.500000e-016848 6846 OS4 SLES 1 41.7477 -42.1384 3.02367 O2L 6842 0 0 0 - 6.500000e-016849 6847 C2 SLES 1 41.4901 -39.4278 3.39738 CC32A 6843 6848 6849 6850 - 1.100000e-016850 6848 H2A SLES 1 40.9053 -39.8516 4.25608 HCA2 6847 0 0 0 9.000000e-026851 6849 H2B SLES 1 40.9076 -39.5489 2.44573 HCA2 6847 0 0 0 9.000000e-026852 6850 C1 SLES 1 41.8742 -37.9535 3.64678 CC32A 6847 6851 6852 6853 - 1.000000e-026853 6851 H1B SLES 1 42.4829 -37.8507 4.58235 HCA2 6850 0 0 0 9.000000e-026854 6852 H1A SLES 1 42.4639 -37.5454 2.78948 HCA2 6850 0 0 0 9.000000e-026855 6853 O1 SLES 1 40.8595 -37.0162 3.80771 OC30A 6850 6854 0 0 - 3.400000e-016856 6854 C2 SLES 1 39.5197 -37.4712 3.75442 CC32A 6853 6855 6856 6857 - 1.000000e-026857 6855 H2A SLES 1 39.333 -38.2398 4.55806 HCA2 6854 0 0 0 9.000000e-026858 6856 H2B SLES 1 39.2878 -37.9318 2.76566 HCA2 6854 0 0 0 9.000000e-026859 6857 C1 SLES 1 39.0969 -36.012 4.15792 CC32A 6854 6858 6859 6860 - 1.000000e-026860 6858 H1B SLES 1 38.6281 -36.3944 5.07428 HCA2 6857 0 0 0 9.000000e-026861 6859 H1A SLES 1 38.6398 -36.0564 3.10366 HCA2 6857 0 0 0 9.000000e-026862 6860 O1 SLES 1 38.4076 -34.7886 4.15284 OC30A 6857 6861 0 0 - 3.400000e-016863 6861 C1 SLES 1 36.9939 -34.815 4.28919 CTL2 6860 6862 6863 6864 - 1.800000e-016864 6862 H11 SLES 1 36.5889 -35.4659 5.11355 HAL2 6861 0 0 0 9.000000e-026865 6863 H12 SLES 1 36.5166 -35.1576 3.33666 HAL2 6861 0 0 0 9.000000e-026866 6864 C2 SLES 1 36.7473 -33.3322 4.56379 CTL2 6861 6865 6866 6867 - 1.800000e-016867 6865 H21 SLES 1 37.1653 -32.9846 5.53903 HAL2 6864 0 0 0 9.000000e-026868 6866 H22 SLES 1 37.1248 -32.6669 3.74939 HAL2 6864 0 0 0 9.000000e-026869 6867 C3 SLES 1 35.2753 -33.2453 4.60807 CTL2 6864 6868 6869 6870 - 1.800000e-016870 6868 H31 SLES 1 34.9708 -33.936 5.44083 HAL2 6867 0 0 0 9.000000e-026871 6869 H32 SLES 1 34.9329 -33.6146 3.60201 HAL2 6867 0 0 0 9.000000e-026872 6870 C4 SLES 1 34.5819 -31.9432 4.84662 CTL2 6867 6871 6872 6873 - 1.800000e-016873 6871 H41 SLES 1 34.8662 -31.5057 5.83536 HAL2 6870 0 0 0 9.000000e-026874 6872 H42 SLES 1 34.8318 -31.1981 4.05529 HAL2 6870 0 0 0 9.000000e-026875 6873 C5 SLES 1 33.1366 -32.4556 4.78599 CTL2 6870 6874 6875 6876 - 1.800000e-016876 6874 H51 SLES 1 32.9695 -33.254 5.55709 HAL2 6873 0 0 0 9.000000e-026877 6875 H52 SLES 1 32.9356 -32.9486 3.79862 HAL2 6873 0 0 0 9.000000e-026878 6876 C6 SLES 1 32.0689 -31.4675 4.97812 CTL2 6873 6877 6878 6879 - 1.800000e-016879 6877 H61 SLES 1 31.4446 -31.8422 5.83412 HAL2 6876 0 0 0 9.000000e-026880 6878 H62 SLES 1 31.4106 -31.5357 4.07076 HAL2 6876 0 0 0 9.000000e-026881 6879 C7 SLES 1 32.5023 -30.0167 5.22111 CTL2 6876 6880 6881 6882 - 1.800000e-016882 6880 H71 SLES 1 33.0943 -29.8708 6.15538 HAL2 6879 0 0 0 9.000000e-026883 6881 H72 SLES 1 33.0596 -29.5607 4.37011 HAL2 6879 0 0 0 9.000000e-026884 6882 C8 SLES 1 31.1613 -29.3917 5.35681 CTL2 6879 6883 6884 6885 - 1.800000e-016885 6883 H81 SLES 1 30.6532 -29.9146 6.21499 HAL2 6882 0 0 0 9.000000e-026886 6884 H82 SLES 1 30.6179 -29.5988 4.39126 HAL2 6882 0 0 0 9.000000e-026887 6885 C9 SLES 1 31.0322 -27.9306 5.61256 CTL2 6882 6886 6887 6888 - 1.800000e-016888 6886 H91 SLES 1 31.5308 -27.6624 6.57077 HAL2 6885 0 0 0 9.000000e-026889 6887 H92 SLES 1 31.4957 -27.3525 4.78178 HAL2 6885 0 0 0 9.000000e-026890 6888 C10 SLES 1 29.5117 -27.7965 5.66542 CTL2 6885 6889 6890 6891 - 1.800000e-016891 6889 H10 SLES 1 29.0977 -28.4588 6.47304 HAL2 6888 0 0 0 9.000000e-026892 6890 H10 SLES 1 29.0633 -28.1509 4.69753 HAL2 6888 0 0 0 9.000000e-026893 6891 C11 SLES 1 29.0064 -26.4127 5.91503 CTL2 6888 6892 6893 6894 - 1.800000e-016894 6892 H11 SLES 1 29.4357 -26.0729 6.88625 HAL2 6891 0 0 0 9.000000e-026895 6893 H11 SLES 1 29.4015 -25.7629 5.10012 HAL2 6891 0 0 0 9.000000e-026896 6894 C12 SLES 1 27.4754 -26.4301 5.94223 CTL3 6891 6895 6896 6897 - 2.700000e-016897 6895 H12 SLES 1 27.1097 -26.099 6.93353 HAL3 6894 0 0 0 9.000000e-026898 6896 H12 SLES 1 27.0743 -25.787 5.13477 HAL3 6894 0 0 0 9.000000e-026899 6897 H12 SLES 1 27.0577 -27.453 5.77257 HAL3 6894 0 0 0 9.000000e-026900 6898 NA SLES 1 54.1998 -27.4641 2.69761 NA 0 0 0 0 1 .000000e+006901 6899 S SLES 1 51.9968 -29.4624 3.27047 SL 6900 6901 6902 6903 1.33 0000e+006902 6900 OS1 SLES 1 51.3295 -28.1495 3.28542 OSL 6899 6904 0 0 - 2.800000e-016903 6901 OS2 SLES 1 52.9185 -29.0373 4.30019 O2L 6899 0 0 0 - 6.500000e-016904 6902 OS3 SLES 1 52.4512 -29.2493 1.9157 O2L 6899 0 0 0 - 6.500000e-016905 6903 OS4 SLES 1 50.9889 -30.4444 3.55645 O2L 6899 0 0 0 - 6.500000e-016906 6904 C2 SLES 1 49.9989 -27.8816 3.48323 CC32A 6900 6905 6906 6907 - 1.100000e-016907 6905 H2A SLES 1 49.6657 -28.2458 4.49083 HCA2 6904 0 0 0 9.000000e-026908 6906 H2B SLES 1 49.3713 -28.3552 2.68242 HCA2 6904 0 0 0 9.000000e-026909 6907 C1 SLES 1 49.9637 -26.3405 3.39806 CC32A 6904 6908 6909 6910 - 1.000000e-026910 6908 H1B SLES 1 50.6197 -25.8807 4.18201 HCA2 6907 0 0 0 9.000000e-026911 6909 H1A SLES 1 50.3064 -25.9896 2.39375 HCA2 6907 0 0 0 9.000000e-026912 6910 O1 SLES 1 48.7458 -25.6895 3.56244 OC30A 6907 6911 0 0 - 3.400000e-016913 6911 C2 SLES 1 47.5995 -26.4793 3.82142 CC32A 6910 6912 6913 6914 - 1.000000e-026914 6912 H2A SLES 1 47.7383 -27.0756 4.76833 HCA2 6911 0 0 0 9.000000e-026915 6913 H2B SLES 1 47.3993 -27.1885 2.98454 HCA2 6911 0 0 0 9.000000e-026916 6914 C1 SLES 1 46.82 -25.1298 4.02688 CC32A 6911 6915 6916 6917 - 1.000000e-026917 6915 H1B SLES 1 46.5916 -25.4121 5.0631 HCA2 6914 0 0 0 9.000000e-026918 6916 H1A SLES 1 46.2773 -25.5209 3.09153 HCA2 6914 0 0 0 9.000000e-026919 6917 O1 SLES 1 45.8089 -24.1608 3.92382 OC30A 6914 6918 0 0 - 3.400000e-016920 6918 C1 SLES 1 44.4896 -24.5256 4.30346 CTL2 6917 6919 6920 6921 - 1.800000e-016921 6919 H11 SLES 1 44.3892 -25.0638 5.2871 HAL2 6918 0 0 0 9.000000e-026922 6920 H12 SLES 1 44.0262 -25.1802 3.52294 HAL2 6918 0 0 0 9.000000e-026923 6921 C2 SLES 1 43.8557 -23.1359 4.34954 CTL2 6918 6922 6923 6924 - 1.800000e-016924 6922 H21 SLES 1 44.264 -22.4871 5.16136 HAL2 6921 0 0 0 9.000000e-026925 6923 H22 SLES 1 43.927 -22.5893 3.37773 HAL2 6921 0 0 0 9.000000e-026926 6924 C3 SLES 1 42.4374 -23.4294 4.62987 CTL2 6921 6925 6926 6927 - 1.800000e-016927 6925 H31 SLES 1 42.445 -23.977 5.61145 HAL2 6924 0 0 0 9.000000e-026928 6926 H32 SLES 1 42.1037 -24.0855 3.77903 HAL2 6924 0 0 0 9.000000e-026929 6927 C4 SLES 1 41.4276 -22.3344 4.74975 CTL2 6924 6928 6929 6930 - 1.800000e-016930 6928 H41 SLES 1 41.6843 -21.6332 5.58172 HAL2 6927 0 0 0 9.000000e-026931 6929 H42 SLES 1 41.3571 -21.741 3.80807 HAL2 6927 0 0 0 9.000000e-026932 6930 C5 SLES 1 40.1969 -23.2073 5.02988 CTL2 6927 6931 6932 6933 - 1.800000e-016933 6931 H51 SLES 1 40.3593 -23.8337 5.94716 HAL2 6930 0 0 0 9.000000e-026934 6932 H52 SLES 1 40.0356 -23.9388 4.19477 HAL2 6930 0 0 0 9.000000e-026935 6933 C6 SLES 1 38.9176 -22.5155 5.2246 CTL2 6930 6934 6935 6936 - 1.800000e-016936 6934 H61 SLES 1 38.5322 -22.8444 6.22769 HAL2 6933 0 0 0 9.000000e-026937 6935 H62 SLES 1 38.2076 -22.9497 4.4704 HAL2 6933 0 0 0 9.000000e-026938 6936 C7 SLES 1 38.9353 -20.9851 5.12894 CTL2 6933 6937 6938 6939 - 1.800000e-016939 6937 H71 SLES 1 39.5628 -20.4894 5.90686 HAL2 6936 0 0 0 9.000000e-026940 6938 H72 SLES 1 39.2339 -20.5962 4.12781 HAL2 6936 0 0 0 9.000000e-026941 6939 C8 SLES 1 37.4954 -20.7185 5.38016 CTL2 6936 6940 6941 6942 - 1.800000e-016942 6940 H81 SLES 1 37.2637 -21.1559 6.39165 HAL2 6939 0 0 0 9.000000e-026943 6941 H82 SLES 1 36.9283 -21.2658 4.57441 HAL2 6939 0 0 0 9.000000e-026944 6942 C9 SLES 1 36.9773 -19.3227 5.39165 CTL2 6939 6943 6944 6945 - 1.800000e-016945 6943 H91 SLES 1 37.4833 -18.7312 6.18718 HAL2 6942 0 0 0 9.000000e-026946 6944 H92 SLES 1 37.1537 -18.8391 4.40463 HAL2 6942 0 0 0 9.000000e-026947 6945 C10 SLES 1 35.5002 -19.5827 5.68029 CTL2 6942 6946 6947 6948 - 1.800000e-016948 6946 H10 SLES 1 35.3927 -20.1376 6.65126 HAL2 6945 0 0 0 9.000000e-026949 6947 H10 SLES 1 35.0658 -20.2441 4.882 HAL2 6945 0 0 0 9.000000e-026950 6948 C11 SLES 1 34.6466 -18.3592 5.76411 CTL2 6945 6949 6950 6951 - 1.800000e-016951 6949 H11 SLES 1 35.0673 -17.7157 6.57146 HAL2 6948 0 0 0 9.000000e-026952 6950 H11 SLES 1 34.7389 -17.8226 4.79152 HAL2 6948 0 0 0 9.000000e-026953 6951 C12 SLES 1 33.2006 -18.77 6.05648 CTL3 6948 6952 6953 6954 - 2.700000e-016954 6952 H12 SLES 1 32.8712 -18.3381 7.0214 HAL3 6951 0 0 0 9.000000e-026955 6953 H12 SLES 1 32.5396 -18.4462 5.22905 HAL3 6951 0 0 0 9.000000e-026956 6954 H12 SLES 1 33.0818 -19.8779 6.14479 HAL3 6951 0 0 0 9.000000e-026957 6955 NA SLES 1 59.2292 -13.2418 2.20315 NA 0 0 0 0 1 .000000e+006958 6956 S SLES 1 57.7283 -15.5555 3.45568 SL 6957 6958 6959 6960 1.33 0000e+006959 6957 OS1 SLES 1 56.7145 -14.5031 3.27071 OSL 6956 6961 0 0 - 2.800000e-016960 6958 OS2 SLES 1 58.5469 -14.6667 4.24981 O2L 6956 0 0 0 - 6.500000e-016961 6959 OS3 SLES 1 58.0239 -15.5607 2.04152 O2L 6956 0 0 0 - 6.500000e-016962 6960 OS4 SLES 1 57.0624 -16.6715 4.06639 O2L 6956 0 0 0 - 6.500000e-016963 6961 C2 SLES 1 55.3767 -14.559 3.56786 CC32A 6957 6962 6963 6964 - 1.100000e-016964 6962 H2A SLES 1 55.2203 -14.7459 4.66308 HCA2 6961 0 0 0 9.000000e-026965 6963 H2B SLES 1 54.8663 -15.3599 2.96996 HCA2 6961 0 0 0 9.000000e-026966 6964 C1 SLES 1 54.8963 -13.1497 3.15966 CC32A 6961 6965 6966 6967 - 1.000000e-026967 6965 H1B SLES 1 55.4368 -12.3581 3.7407 HCA2 6964 0 0 0 9.000000e-026968 6966 H1A SLES 1 55.0657 -12.9718 2.0693 HCA2 6964 0 0 0 9.000000e-026969 6967 O1 SLES 1 53.5544 -12.8258 3.32857 OC30A 6964 6968 0 0 - 3.400000e-016970 6968 C2 SLES 1 52.6995 -13.8056 3.8889 CC32A 6967 6969 6970 6971 - 1.000000e-026971 6969 H2A SLES 1 53.0575 -14.0985 4.91726 HCA2 6968 0 0 0 9.000000e-026972 6970 H2B SLES 1 52.6633 -14.7218 3.25422 HCA2 6968 0 0 0 9.000000e-026973 6971 C1 SLES 1 51.5789 -12.7033 3.89446 CC32A 6968 6972 6973 6974 - 1.000000e-026974 6972 H1B SLES 1 51.5009 -12.779 4.98707 HCA2 6971 0 0 0 9.000000e-026975 6973 H1A SLES 1 51.1184 -13.4369 3.13813 HCA2 6971 0 0 0 9.000000e-026976 6974 O1 SLES 1 50.3283 -12.0916 3.7108 OC30A 6971 6975 0 0 - 3.400000e-016977 6975 C1 SLES 1 49.1929 -12.6916 4.31824 CTL2 6974 6976 6977 6978 - 1.800000e-016978 6976 H11 SLES 1 49.3077 -12.9849 5.39901 HAL2 6975 0 0 0 9.000000e-026979 6977 H12 SLES 1 48.8927 -13.6132 3.75867 HAL2 6975 0 0 0 9.000000e-026980 6978 C2 SLES 1 48.191 -11.5513 4.14292 CTL2 6975 6979 6980 6981 - 1.800000e-016981 6979 H21 SLES 1 48.442 -10.6424 4.74081 HAL2 6978 0 0 0 9.000000e-026982 6980 H22 SLES 1 48.0466 -11.255 3.07536 HAL2 6978 0 0 0 9.000000e-026983 6981 C3 SLES 1 46.9349 -12.1348 4.65095 CTL2 6978 6982 6983 6984 - 1.800000e-016984 6982 H31 SLES 1 47.1555 -12.4087 5.71852 HAL2 6981 0 0 0 9.000000e-026985 6983 H32 SLES 1 46.7551 -13.0402 4.00769 HAL2 6981 0 0 0 9.000000e-026986 6984 C4 SLES 1 45.6622 -11.3518 4.65622 CTL2 6981 6985 6986 6987 - 1.800000e-016987 6985 H41 SLES 1 45.7543 -10.4293 5.28097 HAL2 6984 0 0 0 9.000000e-026988 6986 H42 SLES 1 45.3706 -11.0422 3.62521 HAL2 6984 0 0 0 9.000000e-026989 6987 C5 SLES 1 44.7516 -12.4266 5.26518 CTL2 6984 6988 6989 6990 - 1.800000e-016990 6988 H51 SLES 1 45.1391 -12.7483 6.26837 HAL2 6987 0 0 0 9.000000e-026991 6989 H52 SLES 1 44.7592 -13.3527 4.63219 HAL2 6987 0 0 0 9.000000e-026992 6990 C6 SLES 1 43.341 -12.0736 5.46228 CTL2 6987 6991 6992 6993 - 1.800000e-016993 6991 H61 SLES 1 43.1244 -12.2426 6.55196 HAL2 6990 0 0 0 9.000000e-026994 6992 H62 SLES 1 42.7433 -12.8484 4.91118 HAL2 6990 0 0 0 9.000000e-026995 6993 C7 SLES 1 42.9137 -10.6628 5.03974 CTL2 6990 6994 6995 6996 - 1.800000e-016996 6994 H71 SLES 1 43.4162 -9.84673 5.61074 HAL2 6993 0 0 0 9.000000e-026997 6995 H72 SLES 1 43.0303 -10.4604 3.94972 HAL2 6993 0 0 0 9.000000e-026998 6996 C8 SLES 1 41.4746 -10.736 5.40228 CTL2 6993 6997 6998 6999 - 1.800000e-016999 6997 H81 SLES 1 41.4366 -10.9634 6.50453 HAL2 6996 0 0 0 9.000000e-027000 6998 H82 SLES 1 41.043 -11.591 4.80799 HAL2 6996 0 0 0 9.000000e-027001 6999 C9 SLES 1 40.5796 -9.56748 5.17795 CTL2 6996 7000 7001 7002 - 1.800000e-017002 7000 H91 SLES 1 40.9396 -8.69003 5.76038 HAL2 6999 0 0 0 9.000000e-027003 7001 H92 SLES 1 40.553 -9.30577 4.09629 HAL2 6999 0 0 0 9.000000e-027004 7002 C10 SLES 1 39.2582 -10.1333 5.69405 CTL2 6999 7003 7004 7005 - 1.800000e-017005 7003 H10 SLES 1 39.3702 -10.4471 6.76699 HAL2 7002 0 0 0 9.000000e-027006 7004 H10 SLES 1 38.9867 -11.0577 5.11518 HAL2 7002 0 0 0 9.000000e-027007 7005 C11 SLES 1 38.0959 -9.19751 5.61778 CTL2 7002 7006 7007 7008 - 1.800000e-017008 7006 H11 SLES 1 38.3601 -8.29118 6.21093 HAL2 7005 0 0 0 9.000000e-027009 7007 H11 SLES 1 37.9745 -8.90511 4.54902 HAL2 7005 0 0 0 9.000000e-027010 7008 C12 SLES 1 36.8477 -9.89495 6.16597 CTL3 7005 7009 7010 7011 - 2.700000e-017011 7009 H12 SLES 1 36.4642 -9.34779 7.04893 HAL3 7008 0 0 0 9.000000e-027012 7010 H12 SLES 1 36.0753 -9.96661 5.37564 HAL3 7008 0 0 0 9.000000e-027013 7011 H12 SLES 1 37.0569 -10.9399 6.5033 HAL3 7008 0 0 0 9.000000e-027014 7012 NA SLES 1 56.1462 1.64418 -13.6115 NA 0 0 0 0 1 .000000e+007015 7013 S SLES 1 55.8572 -0.607557 -11.6065 SL 7014 7015 7016 7017 1.33 0000e+007016 7014 OS1 SLES 1 54.5392 0.0495181 -11.6295 OSL 7013 7018 0 0 - 2.800000e-017017 7015 OS2 SLES 1 56.5035 0.637759 -11.257 O2L 7013 0 0 0 - 6.500000e-017018 7016 OS3 SLES 1 55.7789 -0.880562 -13.023 O2L 7013 0 0 0 - 6.500000e-017019 7017 OS4 SLES 1 55.7723 -1.67631 -10.6512 O2L 7013 0 0 0 - 6.500000e-017020 7018 C2 SLES 1 53.4132 -0.293442 -10.9255 CC32A 7014 7019 7020 7021 - 1.100000e-017021 7019 H2A SLES 1 53.6032 -0.239842 -9.82099 HCA2 7018 0 0 0 9.000000e-027022 7020 H2B SLES 1 53.0668 -1.32482 -11.2009 HCA2 7018 0 0 0 9.000000e-027023 7021 C1 SLES 1 52.4071 0.785828 -11.38 CC32A 7018 7022 7023 7024 - 1.000000e-027024 7022 H1B SLES 1 52.7798 1.81251 -11.1283 HCA2 7021 0 0 0 9.000000e-027025 7023 H1A SLES 1 52.2331 0.728524 -12.4825 HCA2 7021 0 0 0 9.000000e-027026 7024 O1 SLES 1 51.1196 0.763312 -10.8546 OC30A 7021 7025 0 0 - 3.400000e-017027 7025 C2 SLES 1 50.805 -0.242648 -9.90915 CC32A 7024 7026 7027 7028 - 1.000000e-027028 7026 H2A SLES 1 51.4821 -0.164001 -9.01089 HCA2 7025 0 0 0 9.000000e-027029 7027 H2B SLES 1 50.9195 -1.26114 -10.3486 HCA2 7025 0 0 0 9.000000e-027030 7028 C1 SLES 1 49.4202 0.478817 -9.72821 CC32A 7025 7029 7030 7031 - 1.000000e-027031 7029 H1B SLES 1 49.6441 0.65649 -8.66804 HCA2 7028 0 0 0 9.000000e-027032 7030 H1A SLES 1 49.0578 -0.515444 -10.1782 HCA2 7028 0 0 0 9.000000e-027033 7031 O1 SLES 1 48.0332 0.661847 -9.60692 OC30A 7028 7032 0 0 - 3.400000e-017034 7032 C1 SLES 1 47.3488 -0.0556061 -8.58967 CTL2 7031 7033 7034 7035 - 1.800000e-017035 7033 H11 SLES 1 47.8175 -0.0306716 -7.56646 HAL2 7032 0 0 0 9.000000e-027036 7034 H12 SLES 1 47.2433 -1.13244 -8.87565 HAL2 7032 0 0 0 9.000000e-027037 7035 C2 SLES 1 46.0148 0.688909 -8.62117 CTL2 7032 7036 7037 7038 - 1.800000e-017038 7036 H21 SLES 1 46.0891 1.75006 -8.28194 HAL2 7035 0 0 0 9.000000e-027039 7037 H22 SLES 1 45.5214 0.661981 -9.62324 HAL2 7035 0 0 0 9.000000e-027040 7038 C3 SLES 1 45.1904 -0.0705721 -7.66207 CTL2 7035 7039 7040 7041 - 1.800000e-017041 7039 H31 SLES 1 45.7457 -0.00200562 -6.68723 HAL2 7038 0 0 0 9.000000e-027042 7040 H32 SLES 1 45.1685 -1.1202 -8.06653 HAL2 7038 0 0 0 9.000000e-027043 7041 C4 SLES 1 43.7731 0.312422 -7.38379 CTL2 7038 7042 7043 7044 - 1.800000e-017044 7042 H41 SLES 1 43.7049 1.34952 -6.97204 HAL2 7041 0 0 0 9.000000e-027045 7043 H42 SLES 1 43.1502 0.266707 -8.30783 HAL2 7041 0 0 0 9.000000e-027046 7044 C5 SLES 1 43.4513 -0.785032 -6.36048 CTL2 7041 7045 7046 7047 - 1.800000e-017047 7045 H51 SLES 1 44.1585 -0.731426 -5.49044 HAL2 7044 0 0 0 9.000000e-027048 7046 H52 SLES 1 43.6094 -1.8004 -6.81042 HAL2 7044 0 0 0 9.000000e-027049 7047 C6 SLES 1 42.0985 -0.792326 -5.79185 CTL2 7044 7048 7049 7050 - 1.800000e-017050 7048 H61 SLES 1 42.2264 -0.739757 -4.67662 HAL2 7047 0 0 0 9.000000e-027051 7049 H62 SLES 1 41.6756 -1.81162 -6.0003 HAL2 7047 0 0 0 9.000000e-027052 7050 C7 SLES 1 41.1368 0.29928 -6.27654 CTL2 7047 7051 7052 7053 - 1.800000e-017053 7051 H71 SLES 1 41.4643 1.33595 -6.02629 HAL2 7050 0 0 0 9.000000e-027054 7052 H72 SLES 1 40.9066 0.250531 -7.3662 HAL2 7050 0 0 0 9.000000e-027055 7053 C8 SLES 1 39.9405 -0.0712677 -5.47703 CTL2 7050 7054 7055 7056 - 1.800000e-017056 7054 H81 SLES 1 40.2535 -0.0213796 -4.39644 HAL2 7053 0 0 0 9.000000e-027057 7055 H82 SLES 1 39.6847 -1.13052 -5.7651 HAL2 7053 0 0 0 9.000000e-027058 7056 C9 SLES 1 38.6824 0.716524 -5.5922 CTL2 7053 7057 7058 7059 - 1.800000e-017059 7057 H91 SLES 1 38.8625 1.77424 -5.29646 HAL2 7056 0 0 0 9.000000e-027060 7058 H92 SLES 1 38.3042 0.685989 -6.63874 HAL2 7056 0 0 0 9.000000e-027061 7059 C10 SLES 1 37.7947 -0.0423176 -4.60797 CTL2 7056 7060 7061 7062 - 1.800000e-017062 7060 H10 SLES 1 38.2657 -0.0391775 -3.588 HAL2 7059 0 0 0 9.000000e-027063 7061 H10 SLES 1 37.7114 -1.11881 -4.92051 HAL2 7059 0 0 0 9.000000e-027064 7062 C11 SLES 1 36.407 0.492708 -4.46452 CTL2 7059 7063 7064 7065 - 1.800000e-017065 7063 H11 SLES 1 36.493 1.55386 -4.13344 HAL2 7062 0 0 0 9.000000e-027066 7064 H11 SLES 1 35.9355 0.468091 -5.47427 HAL2 7062 0 0 0 9.000000e-027067 7065 C12 SLES 1 35.6375 -0.360704 -3.45232 CTL3 7062 7066 7067 7068 - 2.700000e-017068 7066 H12 SLES 1 35.3247 0.261463 -2.59142 HAL3 7065 0 0 0 9.000000e-027069 7067 H12 SLES 1 34.7629 -0.832578 -3.94109 HAL3 7065 0 0 0 9.000000e-027070 7068 H12 SLES 1 36.2581 -1.19245 -3.03704 HAL3 7065 0 0 0 9.000000e-027071 7069 NA SLES 1 53.7643 15.7148 -13.9653 NA 0 0 0 0 1 .000000e+007072 7070 S SLES 1 54.1249 14.0265 -11.4766 SL 7071 7072 7073 7074 1.33 0000e+007073 7071 OS1 SLES 1 52.6666 14.1519 -11.6402 OSL 7070 7075 0 0 - 2.800000e-017074 7072 OS2 SLES 1 54.2733 15.4643 -11.4429 O2L 7070 0 0 0 - 6.500000e-017075 7073 OS3 SLES 1 54.2502 13.4283 -12.7857 O2L 7070 0 0 0 - 6.500000e-017076 7074 OS4 SLES 1 54.3447 13.2444 -10.2926 O2L 7070 0 0 0 - 6.500000e-017077 7075 C2 SLES 1 51.68 13.6034 -10.8611 CC32A 7071 7076 7077 7078 - 1.100000e-017078 7076 H2A SLES 1 51.758 13.9708 -9.80384 HCA2 7075 0 0 0 9.000000e-027079 7077 H2B SLES 1 51.7327 12.4825 -10.8777 HCA2 7075 0 0 0 9.000000e-027080 7078 C1 SLES 1 50.3992 14.1238 -11.5483 CC32A 7075 7079 7080 7081 - 1.000000e-027081 7079 H1B SLES 1 50.3744 15.2444 -11.5539 HCA2 7078 0 0 0 9.000000e-027082 7080 H1A SLES 1 50.3373 13.7592 -12.603 HCA2 7078 0 0 0 9.000000e-027083 7081 O1 SLES 1 49.1639 13.7684 -11.0173 OC30A 7078 7082 0 0 - 3.400000e-017084 7082 C2 SLES 1 49.1478 12.9599 -9.85506 CC32A 7081 7083 7084 7085 - 1.000000e-027085 7083 H2A SLES 1 49.6879 13.475 -9.00988 HCA2 7082 0 0 0 9.000000e-027086 7084 H2B SLES 1 49.6393 11.9761 -10.0396 HCA2 7082 0 0 0 9.000000e-027087 7085 C1 SLES 1 47.5897 13.1666 -9.83521 CC32A 7082 7086 7087 7088 - 1.000000e-027088 7086 H1B SLES 1 47.6597 13.6485 -8.85105 HCA2 7085 0 0 0 9.000000e-027089 7087 H1A SLES 1 47.6274 12.0339 -10.03 HCA2 7085 0 0 0 9.000000e-027090 7088 O1 SLES 1 46.22 12.8705 -9.7445 OC30A 7085 7089 0 0 - 3.400000e-017091 7089 C1 SLES 1 45.753 12.2095 -8.57704 CTL2 7088 7090 7091 7092 - 1.800000e-017092 7090 H11 SLES 1 46.1076 12.6308 -7.5952 HAL2 7089 0 0 0 9.000000e-027093 7091 H12 SLES 1 46.0475 11.13 -8.59594 HAL2 7089 0 0 0 9.000000e-027094 7092 C2 SLES 1 44.25 12.4067 -8.76958 CTL2 7089 7093 7094 7095 - 1.800000e-017095 7093 H21 SLES 1 43.9278 13.4731 -8.69485 HAL2 7092 0 0 0 9.000000e-027096 7094 H22 SLES 1 43.8714 11.9797 -9.73012 HAL2 7092 0 0 0 9.000000e-027097 7095 C3 SLES 1 43.6708 11.645 -7.64683 CTL2 7092 7096 7097 7098 - 1.800000e-017098 7096 H31 SLES 1 44.095 12.1254 -6.72344 HAL2 7095 0 0 0 9.000000e-027099 7097 H32 SLES 1 44.0429 10.5927 -7.78829 HAL2 7095 0 0 0 9.000000e-027100 7098 C4 SLES 1 42.1921 11.5553 -7.45115 CTL2 7095 7099 7100 7101 - 1.800000e-017101 7099 H41 SLES 1 41.7396 12.5661 -7.29855 HAL2 7098 0 0 0 9.000000e-027102 7100 H42 SLES 1 41.6932 11.0833 -8.32989 HAL2 7098 0 0 0 9.000000e-027103 7101 C5 SLES 1 42.1952 10.679 -6.19131 CTL2 7098 7102 7103 7104 - 1.800000e-017104 7102 H51 SLES 1 42.7743 11.1757 -5.36791 HAL2 7101 0 0 0 9.000000e-027105 7103 H52 SLES 1 42.7271 9.71098 -6.38728 HAL2 7101 0 0 0 9.000000e-027106 7104 C6 SLES 1 40.8905 10.3241 -5.62118 CTL2 7101 7105 7106 7107 - 1.800000e-017107 7105 H61 SLES 1 40.9099 10.6711 -4.55249 HAL2 7104 0 0 0 9.000000e-027108 7106 H62 SLES 1 40.8624 9.20237 -5.57474 HAL2 7104 0 0 0 9.000000e-027109 7107 C7 SLES 1 39.649 10.8645 -6.3412 CTL2 7104 7108 7109 7110 - 1.800000e-017110 7108 H71 SLES 1 39.5787 11.9779 -6.35007 HAL2 7107 0 0 0 9.000000e-027111 7109 H72 SLES 1 39.5307 10.4907 -7.38475 HAL2 7107 0 0 0 9.000000e-027112 7110 C8 SLES 1 38.5993 10.2879 -5.46193 CTL2 7107 7111 7112 7113 - 1.800000e-017113 7111 H81 SLES 1 38.7954 10.69 -4.42848 HAL2 7110 0 0 0 9.000000e-027114 7112 H82 SLES 1 38.7473 9.17081 -5.48526 HAL2 7110 0 0 0 9.000000e-027115 7113 C9 SLES 1 37.1585 10.5321 -5.74698 CTL2 7110 7114 7115 7116 - 1.800000e-017116 7114 H91 SLES 1 36.9396 11.6229 -5.71493 HAL2 7113 0 0 0 9.000000e-027117 7115 H92 SLES 1 36.8922 10.1324 -6.75122 HAL2 7113 0 0 0 9.000000e-027118 7116 C10 SLES 1 36.518 9.75431 -4.59922 CTL2 7113 7117 7118 7119 - 1.800000e-017119 7117 H10 SLES 1 36.8826 10.1559 -3.61534 HAL2 7116 0 0 0 9.000000e-027120 7118 H10 SLES 1 36.8352 8.67691 -4.64426 HAL2 7116 0 0 0 9.000000e-027121 7119 C11 SLES 1 35.0244 9.78234 -4.57116 CTL2 7116 7120 7121 7122 - 1.800000e-017122 7120 H11 SLES 1 34.7137 10.851 -4.50448 HAL2 7119 0 0 0 9.000000e-027123 7121 H11 SLES 1 34.6661 9.36341 -5.53997 HAL2 7119 0 0 0 9.000000e-027124 7122 C12 SLES 1 34.5252 8.96683 -3.37506 CTL3 7119 7123 7124 7125 - 2.700000e-017125 7123 H12 SLES 1 33.9542 9.61705 -2.6842 HAL3 7122 0 0 0 9.000000e-027126 7124 H12 SLES 1 33.9061 8.1184 -3.72625 HAL3 7122 0 0 0 9.000000e-027127 7125 H12 SLES 1 35.3627 8.52594 -2.78045 HAL3 7122 0 0 0 9.000000e-027128 7126 NA SLES 1 48.0082 28.6389 -14.2161 NA 0 0 0 0 1 .000000e+007129 7127 S SLES 1 48.5932 27.7307 -11.3864 SL 7128 7129 7130 7131 1.33 0000e+007130 7128 OS1 SLES 1 47.2132 27.2875 -11.6479 OSL 7127 7132 0 0 - 2.800000e-017131 7129 OS2 SLES 1 48.2395 29.1009 -11.6828 O2L 7127 0 0 0 - 6.500000e-017132 7130 OS3 SLES 1 49.083 26.9675 -12.5112 O2L 7127 0 0 0 - 6.500000e-017133 7131 OS4 SLES 1 48.9094 27.3352 -10.0427 O2L 7127 0 0 0 - 6.500000e-017134 7132 C2 SLES 1 46.3787 26.5895 -10.8127 CC32A 7128 7133 7134 7135 - 1.100000e-017135 7133 H2A SLES 1 46.1894 27.1649 -9.86826 HCA2 7132 0 0 0 9.000000e-027136 7134 H2B SLES 1 46.8102 25.5838 -10.5638 HCA2 7132 0 0 0 9.000000e-027137 7135 C1 SLES 1 45.0982 26.4647 -11.6661 CC32A 7132 7136 7137 7138 - 1.000000e-027138 7136 H1B SLES 1 44.6959 27.4757 -11.9351 HCA2 7135 0 0 0 9.000000e-027139 7137 H1A SLES 1 45.3013 25.8981 -12.6079 HCA2 7135 0 0 0 9.000000e-027140 7138 O1 SLES 1 43.9989 25.8033 -11.1294 OC30A 7135 7139 0 0 - 3.400000e-017141 7139 C2 SLES 1 44.107 25.2945 -9.8125 CC32A 7138 7140 7141 7142 - 1.000000e-027142 7140 H2A SLES 1 44.3256 26.1281 -9.08536 HCA2 7139 0 0 0 9.000000e-027143 7141 H2B SLES 1 44.9226 24.5378 -9.73665 HCA2 7139 0 0 0 9.000000e-027144 7142 C1 SLES 1 42.5826 24.9264 -9.91992 CC32A 7139 7143 7144 7145 - 1.000000e-027145 7143 H1B SLES 1 42.3565 25.5885 -9.07367 HCA2 7142 0 0 0 9.000000e-027146 7144 H1A SLES 1 43.0272 23.8688 -9.84198 HCA2 7142 0 0 0 9.000000e-027147 7145 O1 SLES 1 41.3951 24.1821 -9.83135 OC30A 7142 7146 0 0 - 3.400000e-017148 7146 C1 SLES 1 41.0324 23.6466 -8.5666 CTL2 7145 7147 7148 7149 - 1.800000e-017149 7147 H11 SLES 1 41.0922 24.3555 -7.69412 HAL2 7146 0 0 0 9.000000e-027150 7148 H12 SLES 1 41.6754 22.7652 -8.31744 HAL2 7146 0 0 0 9.000000e-027151 7149 C2 SLES 1 39.5902 23.2469 -8.87523 CTL2 7146 7150 7151 7152 - 1.800000e-017152 7150 H21 SLES 1 38.9185 24.1177 -9.0685 HAL2 7149 0 0 0 9.000000e-027153 7151 H22 SLES 1 39.5071 22.5285 -9.7269 HAL2 7149 0 0 0 9.000000e-027154 7152 C3 SLES 1 39.163 22.5703 -7.63592 CTL2 7149 7153 7154 7155 - 1.800000e-017155 7153 H31 SLES 1 39.2751 23.3463 -6.83054 HAL2 7152 0 0 0 9.000000e-027156 7154 H32 SLES 1 39.8849 21.7169 -7.50823 HAL2 7152 0 0 0 9.000000e-027157 7155 C4 SLES 1 37.7902 21.996 -7.49924 CTL2 7152 7156 7157 7158 - 1.800000e-017158 7156 H41 SLES 1 37.0059 22.7848 -7.61043 HAL2 7155 0 0 0 9.000000e-027159 7157 H42 SLES 1 37.5997 21.2098 -8.267 HAL2 7155 0 0 0 9.000000e-027160 7158 C5 SLES 1 37.9265 21.452 -6.07076 CTL2 7155 7159 7160 7161 - 1.800000e-017161 7159 H51 SLES 1 38.1906 22.2784 -5.35847 HAL2 7158 0 0 0 9.000000e-027162 7160 H52 SLES 1 38.7759 20.7219 -6.0077 HAL2 7158 0 0 0 9.000000e-027163 7161 C6 SLES 1 36.7571 20.7739 -5.49971 CTL2 7158 7162 7163 7164 - 1.800000e-017164 7162 H61 SLES 1 36.5186 21.312 -4.54235 HAL2 7161 0 0 0 9.000000e-027165 7163 H62 SLES 1 37.1054 19.7511 -5.19343 HAL2 7161 0 0 0 9.000000e-027166 7164 C7 SLES 1 35.5108 20.675 -6.38767 CTL2 7161 7165 7166 7167 - 1.800000e-017167 7165 H71 SLES 1 35.0688 21.6623 -6.66043 HAL2 7164 0 0 0 9.000000e-027168 7166 H72 SLES 1 35.663 20.082 -7.31931 HAL2 7164 0 0 0 9.000000e-027169 7167 C8 SLES 1 34.614 19.9488 -5.45175 CTL2 7164 7168 7169 7170 - 1.800000e-017170 7168 H81 SLES 1 34.526 20.5934 -4.53261 HAL2 7167 0 0 0 9.000000e-027171 7169 H82 SLES 1 35.1338 18.9795 -5.20546 HAL2 7167 0 0 0 9.000000e-027172 7170 C9 SLES 1 33.2258 19.5957 -5.85808 CTL2 7167 7171 7172 7173 - 1.800000e-017173 7171 H91 SLES 1 32.6478 20.5173 -6.09329 HAL2 7170 0 0 0 9.000000e-027174 7172 H92 SLES 1 33.2438 18.9338 -6.75292 HAL2 7170 0 0 0 9.000000e-027175 7173 C10 SLES 1 32.7437 18.8874 -4.59381 CTL2 7170 7174 7175 7176 - 1.800000e-017176 7174 H10 SLES 1 32.8192 19.5823 -3.71424 HAL2 7173 0 0 0 9.000000e-027177 7175 H10 SLES 1 33.4105 18.0108 -4.36939 HAL2 7173 0 0 0 9.000000e-027178 7176 C11 SLES 1 31.3389 18.3813 -4.64818 CTL2 7173 7177 7178 7179 - 1.800000e-017179 7177 H11 SLES 1 30.6783 19.2566 -4.84922 HAL2 7176 0 0 0 9.000000e-027180 7178 H11 SLES 1 31.2731 17.6759 -5.50875 HAL2 7176 0 0 0 9.000000e-027181 7179 C12 SLES 1 30.9949 17.6991 -3.32106 CTL3 7176 7180 7181 7182 - 2.700000e-017182 7180 H12 SLES 1 30.1525 18.2251 -2.83119 HAL3 7179 0 0 0 9.000000e-027183 7181 H12 SLES 1 30.7514 16.6328 -3.49453 HAL3 7179 0 0 0 9.000000e-027184 7182 H12 SLES 1 31.8474 17.7182 -2.59844 HAL3 7179 0 0 0 9.000000e-027185 7183 NA SLES 1 39.2898 39.6821 -14.3469 NA 0 0 0 0 1 .000000e+007186 7184 S SLES 1 39.6332 39.5156 -11.3421 SL 7185 7186 7187 7188 1.33 0000e+007187 7185 OS1 SLES 1 38.5515 38.5653 -11.6522 OSL 7184 7189 0 0 - 2.800000e-017188 7186 OS2 SLES 1 38.899 40.5969 -11.9605 O2L 7184 0 0 0 - 6.500000e-017189 7187 OS3 SLES 1 40.542 38.8128 -12.2181 O2L 7184 0 0 0 - 6.500000e-017190 7188 OS4 SLES 1 39.8197 39.4834 -9.91874 O2L 7184 0 0 0 - 6.500000e-017191 7189 C2 SLES 1 37.8652 37.7556 -10.7835 CC32A 7185 7190 7191 7192 - 1.100000e-017192 7190 H2A SLES 1 37.3293 38.3664 -10.0099 HCA2 7189 0 0 0 9.000000e-027193 7191 H2B SLES 1 38.5575 37.0295 -10.2804 HCA2 7189 0 0 0 9.000000e-027194 7192 C1 SLES 1 36.8739 37.0386 -11.7253 CC32A 7189 7193 7194 7195 - 1.000000e-027195 7193 H1B SLES 1 36.2103 37.7769 -12.2458 HCA2 7192 0 0 0 9.000000e-027196 7194 H1A SLES 1 37.4191 36.4413 -12.4967 HCA2 7192 0 0 0 9.000000e-027197 7195 O1 SLES 1 35.9833 36.1182 -11.1832 OC30A 7192 7196 0 0 - 3.400000e-017198 7196 C2 SLES 1 36.0201 35.9021 -9.78438 CC32A 7195 7197 7198 7199 - 1.000000e-027199 7197 H2A SLES 1 35.8137 36.8633 -9.23217 HCA2 7196 0 0 0 9.000000e-027200 7198 H2B SLES 1 37.015 35.5164 -9.46047 HCA2 7196 0 0 0 9.000000e-027201 7199 C1 SLES 1 34.7522 34.993 -9.97659 CC32A 7196 7200 7201 7202 - 1.000000e-027202 7200 H1B SLES 1 34.1707 35.6543 -9.32072 HCA2 7199 0 0 0 9.000000e-027203 7201 H1A SLES 1 35.5045 34.1966 -9.627 HCA2 7199 0 0 0 9.000000e-027204 7202 O1 SLES 1 33.8875 33.8926 -9.86156 OC30A 7199 7203 0 0 - 3.400000e-017205 7203 C1 SLES 1 33.5069 33.4724 -8.55906 CTL2 7202 7204 7205 7206 - 1.800000e-017206 7204 H11 SLES 1 33.1696 34.2847 -7.85648 HAL2 7203 0 0 0 9.000000e-027207 7205 H12 SLES 1 34.3532 32.9372 -8.05914 HAL2 7203 0 0 0 9.000000e-027208 7206 C2 SLES 1 32.3614 32.5318 -8.93091 CTL2 7203 7207 7208 7209 - 1.800000e-017209 7207 H21 SLES 1 31.4823 33.0557 -9.37742 HAL2 7206 0 0 0 9.000000e-027210 7208 H22 SLES 1 32.6768 31.7057 -9.61378 HAL2 7206 0 0 0 9.000000e-027211 7209 C3 SLES 1 31.9731 31.9546 -7.63007 CTL2 7206 7210 7211 7212 - 1.800000e-017212 7210 H31 SLES 1 31.6735 32.8368 -7.00124 HAL2 7209 0 0 0 9.000000e-027213 7211 H32 SLES 1 32.9045 31.4544 -7.24545 HAL2 7209 0 0 0 9.000000e-027214 7212 C4 SLES 1 30.8713 30.9506 -7.52479 CTL2 7209 7213 7214 7215 - 1.800000e-017215 7213 H41 SLES 1 29.9009 31.3715 -7.88644 HAL2 7212 0 0 0 9.000000e-027216 7214 H42 SLES 1 31.0951 30.0366 -8.12346 HAL2 7212 0 0 0 9.000000e-027217 7215 C5 SLES 1 30.9262 30.7303 -6.00704 CTL2 7212 7216 7217 7218 - 1.800000e-017218 7216 H51 SLES 1 30.7668 31.699 -5.46277 HAL2 7215 0 0 0 9.000000e-027219 7217 H52 SLES 1 31.9457 30.3792 -5.69755 HAL2 7215 0 0 0 9.000000e-027220 7218 C6 SLES 1 29.9703 29.7747 -5.43572 CTL2 7215 7219 7220 7221 - 1.800000e-017221 7219 H61 SLES 1 29.3992 30.3355 -4.64688 HAL2 7218 0 0 0 9.000000e-027222 7220 H62 SLES 1 30.5812 29.0119 -4.88237 HAL2 7218 0 0 0 9.000000e-027223 7221 C7 SLES 1 29.0081 29.0883 -6.41277 CTL2 7218 7222 7223 7224 - 1.800000e-017224 7222 H71 SLES 1 28.3165 29.7899 -6.93624 HAL2 7221 0 0 0 9.000000e-027225 7223 H72 SLES 1 29.5132 28.4499 -7.17434 HAL2 7221 0 0 0 9.000000e-027226 7224 C8 SLES 1 28.2557 28.2462 -5.44719 CTL2 7221 7225 7226 7227 - 1.800000e-017227 7225 H81 SLES 1 27.7949 28.9534 -4.70176 HAL2 7224 0 0 0 9.000000e-027228 7226 H82 SLES 1 29.018 27.5852 -4.94476 HAL2 7224 0 0 0 9.000000e-027229 7227 C9 SLES 1 27.1619 27.3524 -5.91794 CTL2 7224 7228 7229 7230 - 1.800000e-017230 7228 H91 SLES 1 26.3599 27.9502 -6.40578 HAL2 7227 0 0 0 9.000000e-027231 7229 H92 SLES 1 27.5595 26.6078 -6.64373 HAL2 7227 0 0 0 9.000000e-027232 7230 C10 SLES 1 26.7289 26.7301 -4.5921 CTL2 7227 7231 7232 7233 - 1.800000e-017233 7231 H10 SLES 1 26.4096 27.5365 -3.87795 HAL2 7230 0 0 0 9.000000e-027234 7232 H10 SLES 1 27.6 26.2041 -4.11463 HAL2 7230 0 0 0 9.000000e-027235 7233 C11 SLES 1 25.6086 25.7463 -4.69033 CTL2 7230 7234 7235 7236 - 1.800000e-017236 7234 H11 SLES 1 24.7396 26.2772 -5.14416 HAL2 7233 0 0 0 9.000000e-027237 7235 H11 SLES 1 25.9372 24.9369 -5.38274 HAL2 7233 0 0 0 9.000000e-027238 7236 C12 SLES 1 25.2834 25.2084 -3.29399 CTL3 7233 7237 7238 7239 - 2.700000e-017239 7237 H12 SLES 1 24.2407 25.4635 -3.02237 HAL3 7236 0 0 0 9.000000e-027240 7238 H12 SLES 1 25.4467 24.1135 -3.26173 HAL3 7236 0 0 0 9.000000e-027241 7239 H12 SLES 1 25.9375 25.6519 -2.50342 HAL3 7236 0 0 0 9.000000e-027242 7240 NA SLES 1 28.1474 48.2285 -14.3488 NA 0 0 0 0 1 .000000e+007243 7241 S SLES 1 27.878 48.5272 -11.3467 SL 7242 7243 7244 7245 1.33 0000e+007244 7242 OS1 SLES 1 27.2701 47.221 -11.6526 OSL 7241 7246 0 0 - 2.800000e-017245 7243 OS2 SLES 1 26.9733 49.1932 -12.257 O2L 7241 0 0 0 - 6.500000e-017246 7244 OS3 SLES 1 29.1344 48.1117 -11.9264 O2L 7241 0 0 0 - 6.500000e-017247 7245 OS4 SLES 1 27.7566 48.7205 -9.92902 O2L 7241 0 0 0 - 6.500000e-017248 7246 C2 SLES 1 26.7268 46.3172 -10.7756 CC32A 7242 7247 7248 7249 - 1.100000e-017249 7247 H2A SLES 1 25.8653 46.7719 -10.219 HCA2 7246 0 0 0 9.000000e-027250 7248 H2B SLES 1 27.4984 45.9519 -10.047 HCA2 7246 0 0 0 9.000000e-027251 7249 C1 SLES 1 26.2583 45.1908 -11.7218 CC32A 7246 7250 7251 7252 - 1.000000e-027252 7250 H1B SLES 1 25.5127 45.5758 -12.4649 HCA2 7249 0 0 0 9.000000e-027253 7251 H1A SLES 1 27.1233 44.7521 -12.2772 HCA2 7249 0 0 0 9.000000e-027254 7252 O1 SLES 1 25.6342 44.0746 -11.1751 OC30A 7249 7253 0 0 - 3.400000e-017255 7253 C2 SLES 1 25.4423 44.0407 -9.77261 CC32A 7252 7254 7255 7256 - 1.000000e-027256 7254 H2A SLES 1 24.8128 44.9153 -9.44032 HCA2 7253 0 0 0 9.000000e-027257 7255 H2B SLES 1 26.4157 44.0808 -9.22987 HCA2 7253 0 0 0 9.000000e-027258 7256 C1 SLES 1 24.6248 42.7178 -10.0013 CC32A 7253 7257 7258 7259 - 1.000000e-027259 7257 H1B SLES 1 23.7296 43.1898 -9.57535 HCA2 7256 0 0 0 9.000000e-027260 7258 H1A SLES 1 25.5077 42.2925 -9.39969 HCA2 7256 0 0 0 9.000000e-027261 7259 O1 SLES 1 24.1758 41.3979 -9.83306 OC30A 7256 7260 0 0 - 3.400000e-017262 7260 C1 SLES 1 23.6899 41.013 -8.55493 CTL2 7259 7261 7262 7263 - 1.800000e-017263 7261 H11 SLES 1 22.9582 41.7186 -8.07121 HAL2 7260 0 0 0 9.000000e-027264 7262 H12 SLES 1 24.5394 40.88 -7.83863 HAL2 7260 0 0 0 9.000000e-027265 7263 C2 SLES 1 23.0334 39.6859 -8.93285 CTL2 7260 7264 7265 7266 - 1.800000e-017266 7264 H21 SLES 1 22.1461 39.8023 -9.60057 HAL2 7263 0 0 0 9.000000e-027267 7265 H22 SLES 1 23.7454 38.9616 -9.39849 HAL2 7263 0 0 0 9.000000e-027268 7266 C3 SLES 1 22.5934 39.1526 -7.62968 CTL2 7263 7267 7268 7269 - 1.800000e-017269 7267 H31 SLES 1 21.8886 39.9285 -7.22391 HAL2 7266 0 0 0 9.000000e-027270 7268 H32 SLES 1 23.534 39.0703 -7.01785 HAL2 7266 0 0 0 9.000000e-027271 7269 C4 SLES 1 21.8967 37.8347 -7.52604 CTL2 7266 7270 7271 7272 - 1.800000e-017272 7270 H41 SLES 1 20.942 37.832 -8.10776 HAL2 7269 0 0 0 9.000000e-027273 7271 H42 SLES 1 22.5361 37.0051 -7.90905 HAL2 7269 0 0 0 9.000000e-027274 7272 C5 SLES 1 21.6975 37.8164 -6.0045 CTL2 7269 7273 7274 7275 - 1.800000e-017275 7273 H51 SLES 1 21.1104 38.7141 -5.67368 HAL2 7272 0 0 0 9.000000e-027276 7274 H52 SLES 1 22.6848 37.896 -5.47797 HAL2 7272 0 0 0 9.000000e-027277 7275 C6 SLES 1 21.019 36.6473 -5.43358 CTL2 7272 7276 7277 7278 - 1.800000e-017278 7276 H61 SLES 1 20.1387 37.0446 -4.85897 HAL2 7275 0 0 0 9.000000e-027279 7277 H62 SLES 1 21.7175 36.2239 -4.66275 HAL2 7275 0 0 0 9.000000e-027280 7278 C7 SLES 1 20.5745 35.5558 -6.41479 CTL2 7275 7279 7280 7281 - 1.800000e-017281 7279 H71 SLES 1 19.816 35.8965 -7.15869 HAL2 7278 0 0 0 9.000000e-027282 7280 H72 SLES 1 21.4144 35.0657 -6.95972 HAL2 7278 0 0 0 9.000000e-027283 7281 C8 SLES 1 19.9607 34.6086 -5.44855 CTL2 7278 7282 7283 7284 - 1.800000e-017284 7282 H81 SLES 1 19.1418 35.1768 -4.92438 HAL2 7281 0 0 0 9.000000e-027285 7283 H82 SLES 1 20.7748 34.329 -4.72095 HAL2 7281 0 0 0 9.000000e-027286 7284 C9 SLES 1 19.3571 33.3328 -5.92247 CTL2 7281 7285 7286 7287 - 1.800000e-017287 7285 H91 SLES 1 18.5245 33.5411 -6.63108 HAL2 7284 0 0 0 9.000000e-027288 7286 H92 SLES 1 20.1263 32.7092 -6.43109 HAL2 7284 0 0 0 9.000000e-027289 7287 C10 SLES 1 18.8859 32.7443 -4.59421 CTL2 7284 7288 7289 7290 - 1.800000e-017290 7288 H10 SLES 1 18.1702 33.4522 -4.09532 HAL2 7287 0 0 0 9.000000e-027291 7289 H10 SLES 1 19.7599 32.6264 -3.89735 HAL2 7287 0 0 0 9.000000e-027292 7290 C11 SLES 1 18.2087 31.4162 -4.69474 CTL2 7287 7291 7292 7293 - 1.800000e-017293 7291 H11 SLES 1 17.3299 31.542 -5.3692 HAL2 7290 0 0 0 9.000000e-027294 7292 H11 SLES 1 18.9292 30.7112 -5.17051 HAL2 7290 0 0 0 9.000000e-027295 7293 C12 SLES 1 17.7931 30.9527 -3.29569 CTL3 7290 7294 7295 7296 - 2.700000e-017296 7294 H12 SLES 1 16.6928 30.8394 -3.2447 HAL3 7293 0 0 0 9.000000e-027297 7295 H12 SLES 1 18.3033 30.0026 -3.04371 HAL3 7293 0 0 0 9.000000e-027298 7296 H12 SLES 1 18.0761 31.687 -2.50186 HAL3 7293 0 0 0 9.000000e-027299 7297 NA SLES 1 15.2233 53.7861 -14.2216 NA 0 0 0 0 1 .000000e+007300 7298 S SLES 1 14.1738 54.1184 -11.3998 SL 7299 7300 7301 7302 1.33 0000e+007301 7299 OS1 SLES 1 14.1346 52.6673 -11.6493 OSL 7298 7303 0 0 - 2.800000e-017302 7300 OS2 SLES 1 13.3367 54.3678 -12.5521 O2L 7298 0 0 0 - 6.500000e-017303 7301 OS3 SLES 1 15.5952 54.1541 -11.656 O2L 7298 0 0 0 - 6.500000e-017304 7302 OS4 SLES 1 13.6658 54.326 -10.0729 O2L 7298 0 0 0 - 6.500000e-017305 7303 C2 SLES 1 13.7408 51.6739 -10.7895 CC32A 7299 7304 7305 7306 - 1.100000e-017306 7304 H2A SLES 1 12.6713 51.8157 -10.4814 HCA2 7303 0 0 0 9.000000e-027307 7305 H2B SLES 1 14.3971 51.6477 -9.8795 HCA2 7303 0 0 0 9.000000e-027308 7306 C1 SLES 1 13.9174 50.4083 -11.656 CC32A 7303 7307 7308 7309 - 1.000000e-027309 7307 H1B SLES 1 13.2814 50.4615 -12.5774 HCA2 7306 0 0 0 9.000000e-027310 7308 H1A SLES 1 14.9843 50.2829 -11.9643 HCA2 7306 0 0 0 9.000000e-027311 7309 O1 SLES 1 13.5993 49.1714 -11.1055 OC30A 7306 7310 0 0 - 3.400000e-017312 7310 C2 SLES 1 13.1077 49.1412 -9.778 CC32A 7309 7311 7312 7313 - 1.000000e-027313 7311 H2A SLES 1 12.1598 49.7463 -9.69562 HCA2 7310 0 0 0 9.000000e-027314 7312 H2B SLES 1 13.8539 49.556 -9.06056 HCA2 7310 0 0 0 9.000000e-027315 7313 C1 SLES 1 12.865 47.6031 -9.99248 CC32A 7310 7314 7315 7316 - 1.000000e-027316 7314 H1B SLES 1 11.7895 47.7422 -9.82023 HCA2 7313 0 0 0 9.000000e-027317 7315 H1A SLES 1 13.6728 47.5547 -9.17553 HCA2 7313 0 0 0 9.000000e-027318 7316 O1 SLES 1 12.8641 46.2203 -9.7478 OC30A 7313 7317 0 0 - 3.400000e-017319 7317 C1 SLES 1 12.2528 45.7511 -8.55451 CTL2 7316 7318 7319 7320 - 1.800000e-017320 7318 H11 SLES 1 11.2335 46.1696 -8.32369 HAL2 7317 0 0 0 9.000000e-027321 7319 H12 SLES 1 12.9042 45.9688 -7.67094 HAL2 7317 0 0 0 9.000000e-027322 7320 C2 SLES 1 12.1932 44.2595 -8.8809 CTL2 7317 7321 7322 7323 - 1.800000e-017323 7321 H21 SLES 1 11.5016 44.0152 -9.72272 HAL2 7320 0 0 0 9.000000e-027324 7322 H22 SLES 1 13.1966 43.8174 -9.0957 HAL2 7320 0 0 0 9.000000e-027325 7323 C3 SLES 1 11.6681 43.6698 -7.63478 CTL2 7320 7324 7325 7326 - 1.800000e-017326 7324 H31 SLES 1 10.6678 44.1596 -7.48337 HAL2 7323 0 0 0 9.000000e-027327 7325 H32 SLES 1 12.4097 43.9623 -6.84094 HAL2 7323 0 0 0 9.000000e-027328 7326 C4 SLES 1 11.456 42.1965 -7.50292 CTL2 7323 7327 7328 7329 - 1.800000e-017329 7327 H41 SLES 1 10.7233 41.8214 -8.25931 HAL2 7326 0 0 0 9.000000e-027330 7328 H42 SLES 1 12.4097 41.6343 -7.63837 HAL2 7326 0 0 0 9.000000e-027331 7329 C5 SLES 1 10.9245 42.1843 -6.06331 CTL2 7326 7330 7331 7332 - 1.800000e-017332 7330 H51 SLES 1 10.0077 42.8261 -5.97685 HAL2 7329 0 0 0 9.000000e-027333 7331 H52 SLES 1 11.6739 42.64 -5.36391 HAL2 7329 0 0 0 9.000000e-027334 7332 C6 SLES 1 10.5692 40.8796 -5.49343 CTL2 7329 7333 7334 7335 - 1.800000e-017335 7333 H61 SLES 1 9.4979 40.962 -5.16416 HAL2 7332 0 0 0 9.000000e-027336 7334 H62 SLES 1 11.1688 40.7752 -4.54954 HAL2 7332 0 0 0 9.000000e-027337 7335 C7 SLES 1 10.764 39.6535 -6.3936 CTL2 7332 7336 7337 7338 - 1.800000e-017338 7336 H71 SLES 1 10.1316 39.6607 -7.31263 HAL2 7335 0 0 0 9.000000e-027339 7337 H72 SLES 1 11.8231 39.4716 -6.69008 HAL2 7335 0 0 0 9.000000e-027340 7338 C8 SLES 1 10.2998 38.5988 -5.45574 CTL2 7335 7339 7340 7341 - 1.800000e-017341 7339 H81 SLES 1 9.23829 38.8598 -5.18531 HAL2 7338 0 0 0 9.000000e-027342 7340 H82 SLES 1 10.9661 38.6676 -4.54925 HAL2 7338 0 0 0 9.000000e-027343 7341 C9 SLES 1 10.2935 37.1691 -5.87138 CTL2 7338 7342 7343 7344 - 1.800000e-017344 7342 H91 SLES 1 9.63016 37.0281 -6.75385 HAL2 7341 0 0 0 9.000000e-027345 7343 H92 SLES 1 11.3249 36.8393 -6.12949 HAL2 7341 0 0 0 9.000000e-027346 7344 C10 SLES 1 9.75282 36.5181 -4.6 CTL2 7341 7345 7346 7347 - 1.800000e-017347 7345 H10 SLES 1 8.74384 36.9453 -4.35154 HAL2 7344 0 0 0 9.000000e-027348 7346 H10 SLES 1 10.4261 36.7576 -3.73234 HAL2 7344 0 0 0 9.000000e-027349 7347 C11 SLES 1 9.60979 35.032 -4.66111 CTL2 7344 7348 7349 7350 - 1.800000e-017350 7348 H11 SLES 1 8.92427 34.7992 -5.509 HAL2 7347 0 0 0 9.000000e-027351 7349 H11 SLES 1 10.6167 34.6105 -4.88654 HAL2 7347 0 0 0 9.000000e-027352 7350 C12 SLES 1 9.06083 34.521 -3.32606 CTL3 7347 7351 7352 7353 - 2.700000e-017353 7351 H12 SLES 1 8.0848 34.0222 -3.48304 HAL3 7350 0 0 0 9.000000e-027354 7352 H12 SLES 1 9.78889 33.8319 -2.85533 HAL3 7350 0 0 0 9.000000e-027355 7353 H12 SLES 1 8.88381 35.3468 -2.59387 HAL3 7350 0 0 0 9.000000e-027356 7354 NA SLES 1 1.2519 55.996 -13.974 NA 0 0 0 0 1 .000000e+007357 7355 S SLES 1 -0.48998 55.9022 -11.4978 SL 7356 7357 7358 7359 1.33 0000e+007358 7356 OS1 SLES 1 0.0356554 54.5339 -11.6423 OSL 7355 7360 0 0 - 2.800000e-017359 7357 OS2 SLES 1 -1.06018 55.8537 -12.8257 O2L 7355 0 0 0 - 6.500000e-017360 7358 OS3 SLES 1 0.848698 56.4407 -11.4254 O2L 7355 0 0 0 - 6.500000e-017361 7359 OS4 SLES 1 -1.34 55.901 -10.3405 O2L 7355 0 0 0 - 6.500000e-017362 7360 C2 SLES 1 -0.183811 53.4551 -10.8242 CC32A 7356 7361 7362 7363 - 1.100000e-017363 7361 H2A SLES 1 -1.27696 53.2063 -10.7792 HCA2 7360 0 0 0 9.000000e-027364 7362 H2B SLES 1 0.203164 53.6515 -9.78922 HCA2 7360 0 0 0 9.000000e-027365 7363 C1 SLES 1 0.621073 52.344 -11.5322 CC32A 7360 7364 7365 7366 - 1.000000e-027366 7364 H1B SLES 1 0.245908 52.1803 -12.5756 HCA2 7363 0 0 0 9.000000e-027367 7365 H1A SLES 1 1.7063 52.6073 -11.5792 HCA2 7363 0 0 0 9.000000e-027368 7366 O1 SLES 1 0.6284 51.068 -10.9793 OC30A 7363 7367 0 0 - 3.400000e-017369 7367 C2 SLES 1 -0.124691 50.8501 -9.80017 CC32A 7366 7368 7369 7370 - 1.000000e-027370 7368 H2A SLES 1 -1.21367 51.0804 -9.98066 HCA2 7367 0 0 0 9.000000e-027371 7369 H2B SLES 1 0.23748 51.493 -8.96407 HCA2 7367 0 0 0 9.000000e-027372 7370 C1 SLES 1 0.238069 49.3281 -9.95063 CC32A 7367 7371 7372 7373 - 1.000000e-027373 7371 H1B SLES 1 -0.827066 49.0763 -10.0387 HCA2 7370 0 0 0 9.000000e-027374 7372 H1A SLES 1 0.792486 49.5583 -8.96981 HCA2 7370 0 0 0 9.000000e-027375 7373 O1 SLES 1 0.656792 48.0313 -9.61159 OC30A 7370 7374 0 0 - 3.400000e-017376 7374 C1 SLES 1 -0.0211082 47.362 -8.5578 CTL2 7373 7375 7376 7377 - 1.800000e-017377 7375 H11 SLES 1 -1.1458 47.3908 -8.59671 HAL2 7374 0 0 0 9.000000e-027378 7376 H12 SLES 1 0.28348 47.7851 -7.56751 HAL2 7374 0 0 0 9.000000e-027379 7377 C2 SLES 1 0.518503 45.9496 -8.7786 CTL2 7374 7378 7379 7380 - 1.800000e-017380 7378 H21 SLES 1 0.176663 45.487 -9.73557 HAL2 7377 0 0 0 9.000000e-027381 7379 H22 SLES 1 1.63312 45.893 -8.72603 HAL2 7377 0 0 0 9.000000e-027382 7380 C3 SLES 1 -0.0521241 45.1975 -7.64502 CTL2 7377 7381 7382 7383 - 1.800000e-017383 7381 H31 SLES 1 -1.16526 45.3006 -7.76194 HAL2 7380 0 0 0 9.000000e-027384 7382 H32 SLES 1 0.329941 45.7234 -6.72678 HAL2 7380 0 0 0 9.000000e-027385 7383 C4 SLES 1 0.233177 43.7427 -7.457 CTL2 7380 7384 7385 7386 - 1.800000e-017386 7384 H41 SLES 1 -0.121143 43.1421 -8.33076 HAL2 7383 0 0 0 9.000000e-027387 7385 H42 SLES 1 1.32523 43.5553 -7.32988 HAL2 7383 0 0 0 9.000000e-027388 7386 C5 SLES 1 -0.589096 43.5263 -6.17946 CTL2 7383 7387 7388 7389 - 1.800000e-017389 7387 H51 SLES 1 -1.66356 43.8018 -6.35161 HAL2 7386 0 0 0 9.000000e-027390 7388 H52 SLES 1 -0.233893 44.2088 -5.36316 HAL2 7386 0 0 0 9.000000e-027391 7389 C6 SLES 1 -0.596769 42.1734 -5.61118 CTL2 7386 7390 7391 7392 - 1.800000e-017392 7390 H61 SLES 1 -1.67606 41.8681 -5.54164 HAL2 7389 0 0 0 9.000000e-027393 7391 H62 SLES 1 -0.242321 42.2761 -4.55046 HAL2 7389 0 0 0 9.000000e-027394 7392 C7 SLES 1 0.219079 41.1061 -6.35063 CTL2 7389 7393 7394 7395 - 1.800000e-017395 7393 H71 SLES 1 -0.137471 40.9005 -7.38755 HAL2 7392 0 0 0 9.000000e-027396 7394 H72 SLES 1 1.31388 41.3135 -6.3838 HAL2 7392 0 0 0 9.000000e-027397 7395 C8 SLES 1 -0.0617829 39.9441 -5.46827 CTL2 7392 7396 7397 7398 - 1.800000e-017398 7396 H81 SLES 1 -1.1799 39.8102 -5.46678 HAL2 7395 0 0 0 9.000000e-027399 7397 H82 SLES 1 0.302254 40.233 -4.44139 HAL2 7395 0 0 0 9.000000e-027400 7398 C9 SLES 1 0.526095 38.6095 -5.76814 CTL2 7395 7399 7400 7401 - 1.800000e-017401 7399 H91 SLES 1 0.183926 38.2539 -6.76573 HAL2 7398 0 0 0 9.000000e-027402 7400 H92 SLES 1 1.63769 38.6684 -5.75948 HAL2 7398 0 0 0 9.000000e-027403 7401 C10 SLES 1 -0.0435056 37.7942 -4.60907 CTL2 7398 7402 7403 7404 - 1.800000e-017404 7402 H10 SLES 1 -1.1661 37.8345 -4.62914 HAL2 7401 0 0 0 9.000000e-027405 7403 H10 SLES 1 0.277096 38.2456 -3.63086 HAL2 7401 0 0 0 9.000000e-027406 7404 C11 SLES 1 0.355008 36.3543 -4.59174 CTL2 7401 7405 7406 7407 - 1.800000e-017407 7405 H11 SLES 1 0.0162057 35.9046 -5.55404 HAL2 7404 0 0 0 9.000000e-027408 7406 H11 SLES 1 1.46831 36.3183 -4.55018 HAL2 7404 0 0 0 9.000000e-027409 7407 C12 SLES 1 -0.285688 35.6662 -3.38302 CTL3 7404 7408 7409 7410 - 2.700000e-017410 7408 H12 SLES 1 -0.961353 34.8568 -3.72115 HAL3 7407 0 0 0 9.000000e-027411 7409 H12 SLES 1 0.500563 35.2731 -2.70943 HAL3 7407 0 0 0 9.000000e-027412 7410 H12 SLES 1 -0.906853 36.3674 -2.77318 HAL3 7407 0 0 0 9.000000e-027413 7411 NA SLES 1 -12.9514 54.6516 -13.6229 NA 0 0 0 0 1 .000000e+007414 7412 S SLES 1 -15.063 53.7796 -11.6341 SL 7413 7414 7415 7416 1.33 0000e+007415 7413 OS1 SLES 1 -14.0699 52.692 -11.6322 OSL 7412 7417 0 0 - 2.800000e-017416 7414 OS2 SLES 1 -15.2607 53.6348 -13.0591 O2L 7412 0 0 0 - 6.500000e-017417 7415 OS3 SLES 1 -14.055 54.7408 -11.2502 O2L 7412 0 0 0 - 6.500000e-017418 7416 OS4 SLES 1 -16.0976 53.3996 -10.7137 O2L 7412 0 0 0 - 6.500000e-017419 7417 C2 SLES 1 -14.0744 51.5468 -10.8774 CC32A 7413 7418 7419 7420 - 1.100000e-017420 7418 H2A SLES 1 -14.9886 50.9328 -11.0921 HCA2 7417 0 0 0 9.000000e-027421 7419 H2B SLES 1 -14.0284 51.7882 -9.78234 HCA2 7417 0 0 0 9.000000e-027422 7420 C1 SLES 1 -12.7903 50.8377 -11.3589 CC32A 7417 7421 7422 7423 - 1.000000e-027423 7421 H1B SLES 1 -12.8351 50.6315 -12.4598 HCA2 7420 0 0 0 9.000000e-027424 7422 H1A SLES 1 -11.8878 51.4625 -11.1483 HCA2 7420 0 0 0 9.000000e-027425 7423 O1 SLES 1 -12.4589 49.6058 -10.805 OC30A 7420 7424 0 0 - 3.400000e-017426 7424 C2 SLES 1 -13.334 49.055 -9.83763 CC32A 7423 7425 7426 7427 - 1.000000e-027427 7425 H2A SLES 1 -14.3623 48.9073 -10.276 HCA2 7424 0 0 0 9.000000e-027428 7426 H2B SLES 1 -13.4229 49.7202 -8.94699 HCA2 7424 0 0 0 9.000000e-027429 7427 C1 SLES 1 -12.4329 47.7677 -9.87863 CC32A 7424 7428 7429 7430 - 1.000000e-027430 7428 H1B SLES 1 -13.2904 47.1705 -10.2158 HCA2 7427 0 0 0 9.000000e-027431 7429 H1A SLES 1 -12.2347 48.1026 -8.79654 HCA2 7427 0 0 0 9.000000e-027432 7430 O1 SLES 1 -11.6722 46.6744 -9.4337 OC30A 7427 7431 0 0 - 3.400000e-017433 7431 C1 SLES 1 -12.2911 45.7365 -8.5646 CTL2 7430 7432 7433 7434 - 1.800000e-017434 7432 H11 SLES 1 -13.3129 45.3775 -8.87165 HAL2 7431 0 0 0 9.000000e-027435 7433 H12 SLES 1 -12.3898 46.1648 -7.53537 HAL2 7431 0 0 0 9.000000e-027436 7434 C2 SLES 1 -11.2522 44.6179 -8.63293 CTL2 7431 7435 7436 7437 - 1.800000e-017437 7435 H21 SLES 1 -11.181 44.1374 -9.63824 HAL2 7434 0 0 0 9.000000e-027438 7436 H22 SLES 1 -10.2329 44.9464 -8.31468 HAL2 7434 0 0 0 9.000000e-027439 7437 C3 SLES 1 -11.7627 43.6338 -7.65971 CTL2 7434 7438 7439 7440 - 1.800000e-017440 7438 H31 SLES 1 -12.7825 43.354 -8.04064 HAL2 7437 0 0 0 9.000000e-027441 7439 H32 SLES 1 -11.811 44.1904 -6.68315 HAL2 7437 0 0 0 9.000000e-027442 7440 C4 SLES 1 -11.0328 42.3577 -7.39141 CTL2 7437 7441 7442 7443 - 1.800000e-017443 7441 H41 SLES 1 -10.9431 41.7376 -8.31724 HAL2 7440 0 0 0 9.000000e-027444 7442 H42 SLES 1 -10.0047 42.5505 -7.0046 HAL2 7440 0 0 0 9.000000e-027445 7443 C5 SLES 1 -11.9936 41.777 -6.34503 CTL2 7440 7444 7445 7446 - 1.800000e-017446 7444 H51 SLES 1 -13.0266 41.676 -6.77242 HAL2 7443 0 0 0 9.000000e-027447 7445 H52 SLES 1 -12.0983 42.4783 -5.47577 HAL2 7443 0 0 0 9.000000e-027448 7446 C6 SLES 1 -11.6522 40.467 -5.77882 CTL2 7443 7447 7448 7449 - 1.800000e-017449 7447 H61 SLES 1 -12.5395 39.8033 -5.96571 HAL2 7446 0 0 0 9.000000e-027450 7448 H62 SLES 1 -11.6085 40.6077 -4.66543 HAL2 7446 0 0 0 9.000000e-027451 7449 C7 SLES 1 -10.3664 39.805 -6.28883 CTL2 7446 7450 7451 7452 - 1.800000e-017452 7450 H71 SLES 1 -10.3811 39.5656 -7.37837 HAL2 7449 0 0 0 9.000000e-027453 7451 H72 SLES 1 -9.43876 40.3799 -6.06174 HAL2 7449 0 0 0 9.000000e-027454 7452 C8 SLES 1 -10.4119 38.556 -5.48528 CTL2 7449 7453 7454 7455 - 1.800000e-017455 7453 H81 SLES 1 -11.3795 38.0441 -5.74958 HAL2 7452 0 0 0 9.000000e-027456 7454 H82 SLES 1 -10.4176 38.8766 -4.40471 HAL2 7452 0 0 0 9.000000e-027457 7455 C9 SLES 1 -9.33879 37.5328 -5.61978 CTL2 7452 7456 7457 7458 - 1.800000e-017458 7456 H91 SLES 1 -9.29638 37.1552 -6.66589 HAL2 7455 0 0 0 9.000000e-027459 7457 H92 SLES 1 -8.35293 37.9715 -5.34628 HAL2 7455 0 0 0 9.000000e-027460 7458 C10 SLES 1 -9.83177 36.488 -4.6208 CTL2 7455 7459 7460 7461 - 1.800000e-017461 7459 H10 SLES 1 -10.86 36.1391 -4.90921 HAL2 7458 0 0 0 9.000000e-027462 7460 H10 SLES 1 -9.92319 36.9492 -3.59982 HAL2 7458 0 0 0 9.000000e-027463 7461 C11 SLES 1 -8.96554 35.2775 -4.49134 CTL2 7458 7462 7463 7464 - 1.800000e-017464 7462 H11 SLES 1 -8.89486 34.8104 -5.50125 HAL2 7461 0 0 0 9.000000e-027465 7463 H11 SLES 1 -7.9521 35.6256 -4.18434 HAL2 7461 0 0 0 9.000000e-027466 7464 C12 SLES 1 -9.57929 34.3235 -3.46268 CTL3 7461 7465 7466 7467 - 2.700000e-017467 7465 H12 SLES 1 -9.82942 33.3575 -3.9428 HAL3 7464 0 0 0 9.000000e-027468 7466 H12 SLES 1 -8.88049 34.178 -2.61594 HAL3 7464 0 0 0 9.000000e-027469 7467 H12 SLES 1 -10.5295 34.7199 -3.02756 HAL3 7464 0 0 0 9.000000e-027470 7468 NA SLES 1 -26.5091 49.7276 -13.1922 NA 0 0 0 0 1 .000000e+007471 7469 S SLES 1 -28.5192 47.9405 -11.7994 SL 7470 7471 7472 7473 1.33 0000e+007472 7470 OS1 SLES 1 -27.2235 47.2637 -11.6197 OSL 7469 7474 0 0 - 2.800000e-017473 7471 OS2 SLES 1 -28.3608 47.9237 -13.2365 O2L 7469 0 0 0 - 6.500000e-017474 7472 OS3 SLES 1 -28.0237 49.1279 -11.1423 O2L 7469 0 0 0 - 6.500000e-017475 7473 OS4 SLES 1 -29.5102 47.1159 -11.167 O2L 7469 0 0 0 - 6.500000e-017476 7474 C2 SLES 1 -26.9674 46.0971 -10.9455 CC32A 7470 7475 7476 7477 - 1.100000e-017477 7475 H2A SLES 1 -27.5364 45.2429 -11.3987 HCA2 7474 0 0 0 9.000000e-027478 7476 H2B SLES 1 -27.2325 46.1952 -9.85935 HCA2 7474 0 0 0 9.000000e-027479 7477 C1 SLES 1 -25.4455 45.9345 -11.148 CC32A 7474 7478 7479 7480 - 1.000000e-027480 7478 H1B SLES 1 -25.1909 45.8703 -12.2377 HCA2 7477 0 0 0 9.000000e-027481 7479 H1A SLES 1 -24.8904 46.7953 -10.7008 HCA2 7477 0 0 0 9.000000e-027482 7480 O1 SLES 1 -24.8119 44.8271 -10.5945 OC30A 7477 7481 0 0 - 3.400000e-017483 7481 C2 SLES 1 -25.6055 43.8914 -9.88781 CC32A 7480 7482 7483 7484 - 1.000000e-027484 7482 H2A SLES 1 -26.4011 43.462 -10.5616 HCA2 7481 0 0 0 9.000000e-027485 7483 H2B SLES 1 -26.1049 44.3652 -9.01047 HCA2 7481 0 0 0 9.000000e-027486 7484 C1 SLES 1 -24.3132 43.0029 -9.78139 CC32A 7481 7485 7486 7487 - 1.000000e-027487 7485 H1B SLES 1 -24.8119 42.1995 -10.3395 HCA2 7484 0 0 0 9.000000e-027488 7486 H1A SLES 1 -24.4706 43.2415 -8.66753 HCA2 7484 0 0 0 9.000000e-027489 7487 O1 SLES 1 -23.3163 42.1844 -9.22627 OC30A 7484 7488 0 0 - 3.400000e-017490 7488 C1 SLES 1 -23.7175 40.9877 -8.57444 CTL2 7487 7489 7490 7491 - 1.800000e-017491 7489 H11 SLES 1 -24.4576 40.3466 -9.1298 HAL2 7488 0 0 0 9.000000e-027492 7490 H12 SLES 1 -24.1684 41.2195 -7.57673 HAL2 7488 0 0 0 9.000000e-027493 7491 C2 SLES 1 -22.3549 40.3067 -8.45382 CTL2 7488 7492 7493 7494 - 1.800000e-017494 7492 H21 SLES 1 -21.915 40.0139 -9.43735 HAL2 7491 0 0 0 9.000000e-027495 7493 H22 SLES 1 -21.6082 40.9172 -7.88969 HAL2 7491 0 0 0 9.000000e-027496 7494 C3 SLES 1 -22.6616 39.0902 -7.67784 CTL2 7491 7495 7496 7497 - 1.800000e-017497 7495 H31 SLES 1 -23.4136 38.5332 -8.30047 HAL2 7494 0 0 0 9.000000e-027498 7496 H32 SLES 1 -23.1022 39.4654 -6.71302 HAL2 7494 0 0 0 9.000000e-027499 7497 C4 SLES 1 -21.5915 38.1139 -7.31061 CTL2 7494 7498 7499 7500 - 1.800000e-017500 7498 H41 SLES 1 -21.1006 37.6869 -8.21968 HAL2 7497 0 0 0 9.000000e-027501 7499 H42 SLES 1 -20.8019 38.592 -6.68469 HAL2 7497 0 0 0 9.000000e-027502 7500 C5 SLES 1 -22.4684 37.111 -6.54875 CTL2 7497 7501 7502 7503 - 1.800000e-017503 7501 H51 SLES 1 -23.2874 36.7221 -7.21061 HAL2 7500 0 0 0 9.000000e-027504 7502 H52 SLES 1 -22.9909 37.6159 -5.69405 HAL2 7500 0 0 0 9.000000e-027505 7503 C6 SLES 1 -21.8 35.9327 -5.98492 CTL2 7500 7504 7505 7506 - 1.800000e-017506 7504 H61 SLES 1 -22.3321 35.0376 -6.40745 HAL2 7503 0 0 0 9.000000e-027507 7505 H62 SLES 1 -22.0346 35.9338 -4.88663 HAL2 7503 0 0 0 9.000000e-027508 7506 C7 SLES 1 -20.2878 35.8182 -6.21239 CTL2 7503 7507 7508 7509 - 1.800000e-017509 7507 H71 SLES 1 -19.996 35.7318 -7.2857 HAL2 7506 0 0 0 9.000000e-027510 7508 H72 SLES 1 -19.695 36.639 -5.74586 HAL2 7506 0 0 0 9.000000e-027511 7509 C8 SLES 1 -20.0415 34.5347 -5.50563 CTL2 7506 7510 7511 7512 - 1.800000e-017512 7510 H81 SLES 1 -20.6858 33.7639 -6.01446 HAL2 7509 0 0 0 9.000000e-027513 7511 H82 SLES 1 -20.3793 34.6909 -4.4417 HAL2 7509 0 0 0 9.000000e-027514 7512 C9 SLES 1 -18.6686 33.9627 -5.43642 CTL2 7509 7513 7514 7515 - 1.800000e-017515 7513 H91 SLES 1 -18.2838 33.7613 -6.46116 HAL2 7512 0 0 0 9.000000e-027516 7514 H92 SLES 1 -17.9831 34.6703 -4.91805 HAL2 7512 0 0 0 9.000000e-027517 7515 C10 SLES 1 -18.9428 32.6922 -4.6344 CTL2 7512 7516 7517 7518 - 1.800000e-017518 7516 H10 SLES 1 -19.6962 32.0559 -5.17266 HAL2 7515 0 0 0 9.000000e-027519 7517 H10 SLES 1 -19.3973 32.9582 -3.64134 HAL2 7515 0 0 0 9.000000e-027520 7518 C11 SLES 1 -17.7441 31.8413 -4.36676 CTL2 7515 7519 7520 7521 - 1.800000e-017521 7519 H11 SLES 1 -17.3087 31.5614 -5.35423 HAL2 7518 0 0 0 9.000000e-027522 7520 H11 SLES 1 -17.0077 32.4695 -3.81397 HAL2 7518 0 0 0 9.000000e-027523 7521 C12 SLES 1 -18.167 30.6106 -3.55963 CTL3 7518 7522 7523 7524 - 2.700000e-017524 7522 H12 SLES 1 -17.9509 29.6882 -4.13288 HAL3 7521 0 0 0 9.000000e-027525 7523 H12 SLES 1 -17.6482 30.602 -2.58125 HAL3 7521 0 0 0 9.000000e-027526 7524 H12 SLES 1 -19.2629 30.6011 -3.33969 HAL3 7521 0 0 0 9.000000e-027527 7525 NA SLES 1 -38.517 41.4131 -12.7112 NA 0 0 0 0 1 .000000e+007528 7526 S SLES 1 -39.9357 38.8381 -11.9823 SL 7527 7528 7529 7530 1.33 0000e+007529 7527 OS1 SLES 1 -38.5295 38.6146 -11.6056 OSL 7526 7531 0 0 - 2.800000e-017530 7528 OS2 SLES 1 -39.5534 39.131 -13.3457 O2L 7526 0 0 0 - 6.500000e-017531 7529 OS3 SLES 1 -40.0181 39.9863 -11.1092 O2L 7526 0 0 0 - 6.500000e-017532 7530 OS4 SLES 1 -40.6469 37.6306 -11.6695 O2L 7526 0 0 0 - 6.500000e-017533 7531 C2 SLES 1 -37.9787 37.5014 -11.0237 CC32A 7527 7532 7533 7534 - 1.100000e-017534 7532 H2A SLES 1 -38.1176 36.6008 -11.6783 HCA2 7531 0 0 0 9.000000e-027535 7533 H2B SLES 1 -38.4321 37.3104 -10.015 HCA2 7531 0 0 0 9.000000e-027536 7534 C1 SLES 1 -36.4905 37.8974 -10.9138 CC32A 7531 7535 7536 7537 - 1.000000e-027537 7535 H1B SLES 1 -36.0585 38.117 -11.9245 HCA2 7534 0 0 0 9.000000e-027538 7536 H1A SLES 1 -36.3658 38.8006 -10.2674 HCA2 7534 0 0 0 9.000000e-027539 7537 O1 SLES 1 -35.5954 36.9871 -10.3622 OC30A 7534 7538 0 0 - 3.400000e-017540 7538 C2 SLES 1 -36.0971 35.7297 -9.94729 CC32A 7537 7539 7540 7541 - 1.000000e-027541 7539 H2A SLES 1 -36.5629 35.1852 -10.8179 HCA2 7538 0 0 0 9.000000e-027542 7540 H2B SLES 1 -36.8684 35.8447 -9.15019 HCA2 7538 0 0 0 9.000000e-027543 7541 C1 SLES 1 -34.6053 35.3222 -9.66554 CC32A 7538 7542 7543 7544 - 1.000000e-027544 7542 H1B SLES 1 -34.6813 34.5107 -10.4013 HCA2 7541 0 0 0 9.000000e-027545 7543 H1A SLES 1 -35.0153 35.2923 -8.59157 HCA2 7541 0 0 0 9.000000e-027546 7544 O1 SLES 1 -33.4821 34.8007 -9.00342 OC30A 7541 7545 0 0 - 3.400000e-017547 7545 C1 SLES 1 -33.5199 33.4432 -8.58664 CTL2 7544 7546 7547 7548 - 1.800000e-017548 7546 H11 SLES 1 -33.8769 32.7004 -9.35354 HAL2 7545 0 0 0 9.000000e-027549 7547 H12 SLES 1 -34.1782 33.3292 -7.68875 HAL2 7545 0 0 0 9.000000e-027550 7548 C2 SLES 1 -32.0414 33.2488 -8.25346 CTL2 7545 7549 7550 7551 - 1.800000e-017551 7549 H21 SLES 1 -31.3733 33.3 -9.1466 HAL2 7548 0 0 0 9.000000e-027552 7550 H22 SLES 1 -31.6687 33.9638 -7.48001 HAL2 7548 0 0 0 9.000000e-027553 7551 C3 SLES 1 -32.0052 31.8825 -7.69817 CTL2 7548 7552 7553 7554 - 1.800000e-017554 7552 H31 SLES 1 -32.3929 31.2256 -8.52373 HAL2 7551 0 0 0 9.000000e-027555 7553 H32 SLES 1 -32.7008 31.9106 -6.81436 HAL2 7551 0 0 0 9.000000e-027556 7554 C4 SLES 1 -30.7274 31.273 -7.22013 CTL2 7551 7555 7556 7557 - 1.800000e-017557 7555 H41 SLES 1 -29.9757 31.204 -8.04472 HAL2 7554 0 0 0 9.000000e-027558 7556 H42 SLES 1 -30.277 31.8689 -6.39196 HAL2 7554 0 0 0 9.000000e-027559 7557 C5 SLES 1 -31.2898 29.9157 -6.77673 CTL2 7554 7558 7559 7560 - 1.800000e-017560 7558 H51 SLES 1 -31.7938 29.3988 -7.63631 HAL2 7557 0 0 0 9.000000e-027561 7559 H52 SLES 1 -32.0901 30.0558 -6.00315 HAL2 7557 0 0 0 9.000000e-027562 7560 C6 SLES 1 -30.3386 28.9496 -6.21544 CTL2 7557 7561 7562 7563 - 1.800000e-017563 7561 H61 SLES 1 -30.4338 28.018 -6.83676 HAL2 7560 0 0 0 9.000000e-027564 7562 H62 SLES 1 -30.7307 28.6768 -5.19898 HAL2 7560 0 0 0 9.000000e-027565 7563 C7 SLES 1 -28.8728 29.3912 -6.12653 CTL2 7560 7564 7565 7566 - 1.800000e-017566 7564 H71 SLES 1 -28.4013 29.5998 -7.11586 HAL2 7563 0 0 0 9.000000e-027567 7565 H72 SLES 1 -28.7021 30.2665 -5.45767 HAL2 7563 0 0 0 9.000000e-027568 7566 C8 SLES 1 -28.2938 28.1608 -5.52791 CTL2 7563 7567 7568 7569 - 1.800000e-017569 7567 H81 SLES 1 -28.5232 27.322 -6.24337 HAL2 7566 0 0 0 9.000000e-027570 7568 H82 SLES 1 -28.8314 28.0031 -4.54985 HAL2 7566 0 0 0 9.000000e-027571 7569 C9 SLES 1 -26.8372 28.0798 -5.23056 CTL2 7566 7570 7571 7572 - 1.800000e-017572 7570 H91 SLES 1 -26.2463 28.2045 -6.16546 HAL2 7569 0 0 0 9.000000e-027573 7571 H92 SLES 1 -26.5486 28.8722 -4.50398 HAL2 7569 0 0 0 9.000000e-027574 7572 C10 SLES 1 -26.7558 26.6699 -4.64894 CTL2 7569 7573 7574 7575 - 1.800000e-017575 7573 H10 SLES 1 -27.1294 25.9241 -5.40154 HAL2 7572 0 0 0 9.000000e-027576 7574 H10 SLES 1 -27.4289 26.5872 -3.75259 HAL2 7572 0 0 0 9.000000e-027577 7575 C11 SLES 1 -25.3895 26.2372 -4.22649 CTL2 7572 7576 7577 7578 - 1.800000e-017578 7576 H11 SLES 1 -24.7296 26.2997 -5.12299 HAL2 7575 0 0 0 9.000000e-027579 7577 H11 SLES 1 -25.0307 26.9671 -3.46429 HAL2 7575 0 0 0 9.000000e-027580 7578 C12 SLES 1 -25.4598 24.8134 -3.66726 CTL3 7575 7579 7580 7581 - 2.700000e-017581 7579 H12 SLES 1 -24.8342 24.1343 -4.27844 HAL3 7578 0 0 0 9.000000e-027582 7580 H12 SLES 1 -25.1377 24.8056 -2.60771 HAL3 7578 0 0 0 9.000000e-027583 7581 H12 SLES 1 -26.4973 24.398 -3.68828 HAL3 7578 0 0 0 9.000000e-027584 7582 NA SLES 1 -48.1008 30.138 -12.2128 NA 0 0 0 0 1 .000000e+007585 7583 S SLES 1 -48.557 27.1439 -12.1705 SL 7584 7585 7586 7587 1.33 0000e+007586 7584 OS1 SLES 1 -47.2158 27.3302 -11.5909 OSL 7583 7588 0 0 - 2.800000e-017587 7585 OS2 SLES 1 -48.161 27.8314 -13.3793 O2L 7583 0 0 0 - 6.500000e-017588 7586 OS3 SLES 1 -49.1458 27.9838 -11.1531 O2L 7583 0 0 0 - 6.500000e-017589 7587 OS4 SLES 1 -48.8102 25.7306 -12.187 O2L 7583 0 0 0 - 6.500000e-017590 7588 C2 SLES 1 -46.3651 26.3694 -11.1068 CC32A 7584 7589 7590 7591 - 1.100000e-017591 7589 H2A SLES 1 -46.0949 25.6358 -11.9117 HCA2 7588 0 0 0 9.000000e-027592 7590 H2B SLES 1 -46.8252 25.827 -10.2387 HCA2 7588 0 0 0 9.000000e-027593 7591 C1 SLES 1 -45.1442 27.2084 -10.6723 CC32A 7588 7592 7593 7594 - 1.000000e-027594 7592 H1B SLES 1 -44.7141 27.7702 -11.5416 HCA2 7591 0 0 0 9.000000e-027595 7593 H1A SLES 1 -45.4277 27.9413 -9.87745 HCA2 7591 0 0 0 9.000000e-027596 7594 O1 SLES 1 -44.0454 26.5557 -10.1239 OC30A 7591 7595 0 0 - 3.400000e-017597 7595 C2 SLES 1 -44.0978 25.1452 -10.012 CC32A 7594 7596 7597 7598 - 1.000000e-027598 7596 H2A SLES 1 -44.2358 24.6748 -11.0275 HCA2 7595 0 0 0 9.000000e-027599 7597 H2B SLES 1 -44.9402 24.8222 -9.35663 HCA2 7595 0 0 0 9.000000e-027600 7598 C1 SLES 1 -42.6002 25.2115 -9.53896 CC32A 7595 7599 7600 7601 - 1.000000e-027601 7599 H1B SLES 1 -42.2953 24.5982 -10.3971 HCA2 7598 0 0 0 9.000000e-027602 7600 H1A SLES 1 -43.0859 24.8177 -8.57384 HCA2 7598 0 0 0 9.000000e-027603 7601 O1 SLES 1 -41.4437 24.9686 -8.78035 OC30A 7598 7602 0 0 - 3.400000e-017604 7602 C1 SLES 1 -41.0308 23.6213 -8.60038 CTL2 7601 7603 7604 7605 - 1.800000e-017605 7603 H11 SLES 1 -41.0074 22.9834 -9.52764 HAL2 7602 0 0 0 9.000000e-027606 7604 H12 SLES 1 -41.6963 23.1046 -7.86382 HAL2 7602 0 0 0 9.000000e-027607 7605 C2 SLES 1 -39.6285 23.8678 -8.04551 CTL2 7602 7606 7607 7608 - 1.800000e-017608 7606 H21 SLES 1 -38.9316 24.3292 -8.7858 HAL2 7605 0 0 0 9.000000e-027609 7607 H22 SLES 1 -39.628 24.4841 -7.11357 HAL2 7605 0 0 0 9.000000e-027610 7608 C3 SLES 1 -39.1591 22.5079 -7.71933 CTL2 7605 7609 7610 7611 - 1.800000e-017611 7609 H31 SLES 1 -39.1889 21.9509 -8.6952 HAL2 7608 0 0 0 9.000000e-027612 7610 H32 SLES 1 -39.9093 22.1119 -6.98026 HAL2 7608 0 0 0 9.000000e-027613 7611 C4 SLES 1 -37.8074 22.2752 -7.12611 CTL2 7608 7612 7613 7614 - 1.800000e-017614 7612 H41 SLES 1 -36.9969 22.6398 -7.80429 HAL2 7611 0 0 0 9.000000e-027615 7613 H42 SLES 1 -37.6978 22.7966 -6.14635 HAL2 7611 0 0 0 9.000000e-027616 7614 C5 SLES 1 -37.8829 20.7466 -7.01343 CTL2 7611 7615 7616 7617 - 1.800000e-017617 7615 H51 SLES 1 -38.0674 20.2864 -8.0205 HAL2 7614 0 0 0 9.000000e-027618 7616 H52 SLES 1 -38.7586 20.4418 -6.38198 HAL2 7614 0 0 0 9.000000e-027619 7617 C6 SLES 1 -36.7129 20.0593 -6.45466 CTL2 7614 7618 7619 7620 - 1.800000e-017620 7618 H61 SLES 1 -36.3946 19.305 -7.22439 HAL2 7617 0 0 0 9.000000e-027621 7619 H62 SLES 1 -37.0875 19.4609 -5.5812 HAL2 7617 0 0 0 9.000000e-027622 7620 C7 SLES 1 -35.527 20.9373 -6.0371 CTL2 7617 7621 7622 7623 - 1.800000e-017623 7621 H71 SLES 1 -35.0587 21.4977 -6.88042 HAL2 7620 0 0 0 9.000000e-027624 7622 H72 SLES 1 -35.7602 21.6553 -5.21683 HAL2 7620 0 0 0 9.000000e-027625 7623 C8 SLES 1 -34.6094 19.8748 -5.55062 CTL2 7620 7624 7625 7626 - 1.800000e-017626 7624 H81 SLES 1 -34.4387 19.1806 -6.42069 HAL2 7623 0 0 0 9.000000e-027627 7625 H82 SLES 1 -35.1562 19.3414 -4.72179 HAL2 7623 0 0 0 9.000000e-027628 7626 C9 SLES 1 -33.2647 20.2257 -5.01622 CTL2 7623 7627 7628 7629 - 1.800000e-017629 7627 H91 SLES 1 -32.6614 20.7375 -5.79897 HAL2 7626 0 0 0 9.000000e-027630 7628 H92 SLES 1 -33.3651 20.8948 -4.13227 HAL2 7626 0 0 0 9.000000e-027631 7629 C10 SLES 1 -32.7404 18.8353 -4.66343 CTL2 7626 7630 7631 7632 - 1.800000e-017632 7630 H10 SLES 1 -32.7329 18.1859 -5.58024 HAL2 7629 0 0 0 9.000000e-027633 7631 H10 SLES 1 -33.431 18.3426 -3.92598 HAL2 7629 0 0 0 9.000000e-027634 7632 C11 SLES 1 -31.3652 18.8064 -4.08009 CTL2 7629 7633 7634 7635 - 1.800000e-017635 7633 H11 SLES 1 -30.6795 19.276 -4.82329 HAL2 7632 0 0 0 9.000000e-027636 7634 H11 SLES 1 -31.3818 19.4341 -3.15915 HAL2 7632 0 0 0 9.000000e-027637 7635 C12 SLES 1 -30.9737 17.357 -3.77822 CTL3 7632 7636 7637 7638 - 2.700000e-017638 7636 H12 SLES 1 -30.0814 17.0739 -4.36955 HAL3 7635 0 0 0 9.000000e-027639 7637 H12 SLES 1 -30.7885 17.2322 -2.69353 HAL3 7635 0 0 0 9.000000e-027640 7638 H12 SLES 1 -31.7803 16.6323 -4.0496 HAL3 7635 0 0 0 9.000000e-027641 7639 NA SLES 1 -54.4906 16.5803 -11.7309 NA 0 0 0 0 1 .000000e+007642 7640 S SLES 1 -53.8407 13.6877 -12.3511 SL 7641 7642 7643 7644 1.33 0000e+007643 7641 OS1 SLES 1 -52.6873 14.1766 -11.5766 OSL 7640 7645 0 0 - 2.800000e-017644 7642 OS2 SLES 1 -53.6583 14.7314 -13.3351 O2L 7640 0 0 0 - 6.500000e-017645 7643 OS3 SLES 1 -54.7426 14.0151 -11.271 O2L 7640 0 0 0 - 6.500000e-017646 7644 OS4 SLES 1 -53.5674 12.318 -12.6842 O2L 7640 0 0 0 - 6.500000e-017647 7645 C2 SLES 1 -51.5733 13.4763 -11.1892 CC32A 7641 7646 7647 7648 - 1.100000e-017648 7646 H2A SLES 1 -51.0172 13.088 -12.083 HCA2 7645 0 0 0 9.000000e-027649 7647 H2B SLES 1 -51.8506 12.6229 -10.5151 HCA2 7645 0 0 0 9.000000e-027650 7648 C1 SLES 1 -50.7595 14.5532 -10.4398 CC32A 7645 7649 7650 7651 - 1.000000e-027651 7649 H1B SLES 1 -50.5171 15.4144 -11.115 HCA2 7648 0 0 0 9.000000e-027652 7650 H1A SLES 1 -51.3271 14.9388 -9.55763 HCA2 7648 0 0 0 9.000000e-027653 7651 O1 SLES 1 -49.5284 14.2028 -9.89578 OC30A 7648 7652 0 0 - 3.400000e-017654 7652 C2 SLES 1 -49.0755 12.8737 -10.0776 CC32A 7651 7653 7654 7655 - 1.000000e-027655 7653 H2A SLES 1 -48.9839 12.636 -11.176 HCA2 7652 0 0 0 9.000000e-027656 7654 H2B SLES 1 -49.7771 12.1402 -9.61572 HCA2 7652 0 0 0 9.000000e-027657 7655 C1 SLES 1 -47.7278 13.3312 -9.4103 CC32A 7652 7656 7657 7658 - 1.000000e-027658 7656 H1B SLES 1 -47.1799 13.0767 -10.3272 HCA2 7655 0 0 0 9.000000e-027659 7657 H1A SLES 1 -48.0872 12.5818 -8.61555 HCA2 7655 0 0 0 9.000000e-027660 7658 O1 SLES 1 -46.601 13.3245 -8.57226 OC30A 7655 7659 0 0 - 3.400000e-017661 7659 C1 SLES 1 -45.7407 12.1949 -8.61472 CTL2 7658 7660 7661 7662 - 1.800000e-017662 7660 H11 SLES 1 -45.4429 11.8387 -9.64022 HAL2 7659 0 0 0 9.000000e-027663 7661 H12 SLES 1 -46.212 11.326 -8.08998 HAL2 7659 0 0 0 9.000000e-027664 7662 C2 SLES 1 -44.5508 12.7652 -7.84415 CTL2 7659 7663 7664 7665 - 1.800000e-017665 7663 H21 SLES 1 -44.0302 13.5953 -8.37954 HAL2 7662 0 0 0 9.000000e-027666 7664 H22 SLES 1 -44.8188 13.1087 -6.81533 HAL2 7662 0 0 0 9.000000e-027667 7665 C3 SLES 1 -43.6406 11.6089 -7.73986 CTL2 7662 7666 7667 7668 - 1.800000e-017668 7666 H31 SLES 1 -43.419 11.3198 -8.8032 HAL2 7665 0 0 0 9.000000e-027669 7667 H32 SLES 1 -44.2343 10.8208 -7.19941 HAL2 7665 0 0 0 9.000000e-027670 7668 C4 SLES 1 -42.3274 11.7165 -7.03498 CTL2 7665 7669 7670 7671 - 1.800000e-017671 7669 H41 SLES 1 -41.6693 12.4823 -7.51477 HAL2 7668 0 0 0 9.000000e-027672 7670 H42 SLES 1 -42.462 11.9995 -5.96461 HAL2 7668 0 0 0 9.000000e-027673 7671 C5 SLES 1 -41.8535 10.2717 -7.24273 CTL2 7668 7672 7673 7674 - 1.800000e-017674 7672 H51 SLES 1 -41.8092 10.0256 -8.33702 HAL2 7671 0 0 0 9.000000e-027675 7673 H52 SLES 1 -42.5915 9.54928 -6.80473 HAL2 7671 0 0 0 9.000000e-027676 7674 C6 SLES 1 -40.5443 9.91157 -6.68629 CTL2 7671 7675 7676 7677 - 1.800000e-017677 7675 H61 SLES 1 -39.9376 9.5124 -7.54391 HAL2 7674 0 0 0 9.000000e-027678 7676 H62 SLES 1 -40.7219 9.03484 -6.00723 HAL2 7674 0 0 0 9.000000e-027679 7677 C7 SLES 1 -39.7761 11.016 -5.95019 CTL2 7674 7678 7679 7680 - 1.800000e-017680 7678 H71 SLES 1 -39.499 11.8828 -6.59542 HAL2 7677 0 0 0 9.000000e-027681 7679 H72 SLES 1 -40.2929 11.399 -5.03974 HAL2 7677 0 0 0 9.000000e-027682 7680 C8 SLES 1 -38.5634 10.2452 -5.5722 CTL2 7677 7681 7682 7683 - 1.800000e-017683 7681 H81 SLES 1 -38.1109 9.87426 -6.53436 HAL2 7680 0 0 0 9.000000e-027684 7682 H82 SLES 1 -38.9227 9.37977 -4.94579 HAL2 7680 0 0 0 9.000000e-027685 7683 C9 SLES 1 -37.4637 10.8959 -4.808 CTL2 7680 7684 7685 7686 - 1.800000e-017686 7684 H91 SLES 1 -37.0463 11.7501 -5.38666 HAL2 7683 0 0 0 9.000000e-027687 7685 H92 SLES 1 -37.8423 11.2646 -3.82826 HAL2 7683 0 0 0 9.000000e-027688 7686 C10 SLES 1 -36.4928 9.72423 -4.67687 CTL2 7683 7687 7688 7689 - 1.800000e-017689 7687 H10 SLES 1 -36.2061 9.34976 -5.6966 HAL2 7686 0 0 0 9.000000e-027690 7688 H10 SLES 1 -36.996 8.86848 -4.1497 HAL2 7686 0 0 0 9.000000e-027691 7689 C11 SLES 1 -35.2303 10.0278 -3.93754 CTL2 7686 7690 7691 7692 - 1.800000e-017692 7690 H11 SLES 1 -34.7231 10.8622 -4.47556 HAL2 7689 0 0 0 9.000000e-027693 7691 H11 SLES 1 -35.5179 10.3785 -2.91933 HAL2 7689 0 0 0 9.000000e-027694 7692 C12 SLES 1 -34.3594 8.76933 -3.88496 CTL3 7689 7693 7694 7695 - 2.700000e-017695 7693 H12 SLES 1 -33.3965 8.95243 -4.40002 HAL3 7692 0 0 0 9.000000e-027696 7694 H12 SLES 1 -34.1965 8.46446 -2.83284 HAL3 7692 0 0 0 9.000000e-027697 7695 H12 SLES 1 -34.8366 7.899 -4.399 HAL3 7692 0 0 0 9.000000e-027698 7696 NA SLES 1 -57.1043 1.64418 -11.2983 NA 0 0 0 0 1 .000000e+007699 7697 S SLES 1 -55.4822 -0.607557 -12.5118 SL 7698 7699 7700 7701 1.33 0000e+007700 7698 OS1 SLES 1 -54.5665 0.0495181 -11.5636 OSL 7697 7702 0 0 - 2.800000e-017701 7699 OS2 SLES 1 -55.6921 0.637759 -13.2159 O2L 7697 0 0 0 - 6.500000e-017702 7700 OS3 SLES 1 -56.4285 -0.880562 -11.4548 O2L 7697 0 0 0 - 6.500000e-017703 7701 OS4 SLES 1 -54.7467 -1.67631 -13.1272 O2L 7697 0 0 0 - 6.500000e-017704 7702 C2 SLES 1 -53.2725 -0.293442 -11.2651 CC32A 7698 7703 7704 7705 - 1.100000e-017705 7703 H2A SLES 1 -52.6258 -0.239842 -12.1805 HCA2 7702 0 0 0 9.000000e-027706 7704 H2B SLES 1 -53.2223 -1.32482 -10.8255 HCA2 7702 0 0 0 9.000000e-027707 7705 C1 SLES 1 -52.8824 0.785828 -10.2324 CC32A 7702 7706 7707 7708 - 1.000000e-027708 7706 H1B SLES 1 -52.968 1.81251 -10.6739 HCA2 7705 0 0 0 9.000000e-027709 7707 H1A SLES 1 -53.539 0.728524 -9.32971 HCA2 7705 0 0 0 9.000000e-027710 7708 O1 SLES 1 -51.6006 0.763312 -9.69348 OC30A 7705 7709 0 0 - 3.400000e-017711 7709 C2 SLES 1 -50.7096 -0.242648 -10.1396 CC32A 7708 7710 7711 7712 - 1.000000e-027712 7710 H2A SLES 1 -50.5531 -0.164001 -11.2535 HCA2 7709 0 0 0 9.000000e-027713 7711 H2B SLES 1 -51.1013 -1.26114 -9.90981 HCA2 7709 0 0 0 9.000000e-027714 7712 C1 SLES 1 -49.6024 0.478817 -9.28831 CC32A 7709 7713 7714 7715 - 1.000000e-027715 7713 H1B SLES 1 -49.0111 0.65649 -10.1963 HCA2 7712 0 0 0 9.000000e-027716 7714 H1A SLES 1 -49.6643 -0.515444 -8.71386 HCA2 7712 0 0 0 9.000000e-027717 7715 O1 SLES 1 -48.5359 0.661847 -8.39332 OC30A 7712 7716 0 0 - 3.400000e-017718 7716 C1 SLES 1 -47.3327 -0.0556061 -8.62868 CTL2 7715 7717 7718 7719 - 1.800000e-017719 7717 H11 SLES 1 -46.9406 -0.0306716 -9.68363 HAL2 7716 0 0 0 9.000000e-027720 7718 H12 SLES 1 -47.4603 -1.13244 -8.35185 HAL2 7716 0 0 0 9.000000e-027721 7719 C2 SLES 1 -46.4116 0.688909 -7.6631 CTL2 7716 7720 7721 7722 - 1.800000e-017722 7720 H21 SLES 1 -46.2243 1.75006 -7.95551 HAL2 7719 0 0 0 9.000000e-027723 7721 H22 SLES 1 -46.7713 0.661981 -6.60563 HAL2 7719 0 0 0 9.000000e-027724 7722 C3 SLES 1 -45.1505 -0.0705721 -7.75838 CTL2 7719 7723 7724 7725 - 1.800000e-017725 7723 H31 SLES 1 -44.8539 -0.00200562 -8.84036 HAL2 7722 0 0 0 9.000000e-027726 7724 H32 SLES 1 -45.421 -1.1202 -7.45688 HAL2 7722 0 0 0 9.000000e-027727 7725 C4 SLES 1 -43.9515 0.312422 -6.95293 CTL2 7722 7726 7727 7728 - 1.800000e-017728 7726 H41 SLES 1 -43.6122 1.34952 -7.19588 HAL2 7725 0 0 0 9.000000e-027729 7727 H42 SLES 1 -44.1645 0.266707 -5.85912 HAL2 7725 0 0 0 9.000000e-027730 7728 C5 SLES 1 -43.0004 -0.785032 -7.44899 CTL2 7725 7729 7730 7731 - 1.800000e-017731 7729 H51 SLES 1 -42.8853 -0.731426 -8.56429 HAL2 7728 0 0 0 9.000000e-027732 7730 H52 SLES 1 -43.4303 -1.8004 -7.2426 HAL2 7728 0 0 0 9.000000e-027733 7731 C6 SLES 1 -41.6418 -0.792326 -6.89454 CTL2 7728 7732 7733 7734 - 1.800000e-017734 7732 H61 SLES 1 -40.9436 -0.739757 -7.77357 HAL2 7731 0 0 0 9.000000e-027735 7733 H62 SLES 1 -41.4901 -1.81162 -6.44805 HAL2 7731 0 0 0 9.000000e-027736 7734 C7 SLES 1 -41.3044 0.29928 -5.87173 CTL2 7731 7735 7736 7737 - 1.800000e-017737 7735 H71 SLES 1 -41.3591 1.33595 -6.2803 HAL2 7734 0 0 0 9.000000e-027738 7736 H72 SLES 1 -41.9122 0.250531 -4.93847 HAL2 7734 0 0 0 9.000000e-027739 7737 C8 SLES 1 -39.8932 -0.0712677 -5.59119 CTL2 7734 7738 7739 7740 - 1.800000e-017740 7738 H81 SLES 1 -39.3505 -0.0213796 -6.57661 HAL2 7737 0 0 0 9.000000e-027741 7739 H82 SLES 1 -39.916 -1.13052 -5.20661 HAL2 7737 0 0 0 9.000000e-027742 7740 C9 SLES 1 -39.085 0.716524 -4.62011 CTL2 7737 7741 7742 7743 - 1.800000e-017743 7741 H91 SLES 1 -39.0033 1.77424 -4.95661 HAL2 7740 0 0 0 9.000000e-027744 7742 H92 SLES 1 -39.5576 0.685989 -3.61268 HAL2 7740 0 0 0 9.000000e-027745 7743 C10 SLES 1 -37.7614 -0.0423176 -4.68836 CTL2 7740 7744 7745 7746 - 1.800000e-017746 7744 H10 SLES 1 -37.3732 -0.0391775 -5.74268 HAL2 7743 0 0 0 9.000000e-027747 7745 H10 SLES 1 -37.9235 -1.11881 -4.40851 HAL2 7743 0 0 0 9.000000e-027748 7746 C11 SLES 1 -36.6787 0.492708 -3.80855 CTL2 7743 7747 7748 7749 - 1.800000e-017749 7747 H11 SLES 1 -36.5054 1.55386 -4.1035 HAL2 7746 0 0 0 9.000000e-027750 7748 H11 SLES 1 -37.0593 0.468091 -2.76118 HAL2 7746 0 0 0 9.000000e-027751 7749 C12 SLES 1 -35.4189 -0.360704 -3.9802 CTL3 7746 7750 7751 7752 - 2.700000e-017752 7750 H12 SLES 1 -34.5889 0.261463 -4.36777 HAL3 7749 0 0 0 9.000000e-027753 7751 H12 SLES 1 -35.1461 -0.832578 -3.01617 HAL3 7749 0 0 0 9.000000e-027754 7752 H12 SLES 1 -35.5641 -1.19245 -4.71268 HAL3 7749 0 0 0 9.000000e-027755 7753 NA SLES 1 -55.6273 -13.5965 -10.9446 NA 0 0 0 0 1 .000000e+007756 7754 S SLES 1 -53.4206 -14.7903 -12.6417 SL 7755 7756 7757 7758 1.33 0000e+007757 7755 OS1 SLES 1 -52.7215 -14.0867 -11.5529 OSL 7754 7759 0 0 - 2.800000e-017758 7756 OS2 SLES 1 -54.0992 -13.574 -13.0301 O2L 7754 0 0 0 - 6.500000e-017759 7757 OS3 SLES 1 -54.1338 -15.6131 -11.6921 O2L 7754 0 0 0 - 6.500000e-017760 7758 OS4 SLES 1 -52.4085 -15.3601 -13.4859 O2L 7754 0 0 0 - 6.500000e-017761 7759 C2 SLES 1 -51.3705 -14.0089 -11.3295 CC32A 7755 7760 7761 7762 - 1.100000e-017762 7760 H2A SLES 1 -50.8514 -13.5233 -12.1977 HCA2 7759 0 0 0 9.000000e-027763 7761 H2B SLES 1 -50.9347 -15.0272 -11.1487 HCA2 7759 0 0 0 9.000000e-027764 7762 C1 SLES 1 -51.3027 -13.1271 -10.064 CC32A 7759 7763 7764 7765 - 1.000000e-027765 7763 H1B SLES 1 -51.7701 -12.1251 -10.2482 HCA2 7762 0 0 0 9.000000e-027766 7764 H1A SLES 1 -51.8308 -13.6167 -9.20923 HCA2 7762 0 0 0 9.000000e-027767 7765 O1 SLES 1 -50.0562 -12.8176 -9.53074 OC30A 7762 7766 0 0 - 3.400000e-017768 7766 C2 SLES 1 -48.9077 -13.314 -10.1936 CC32A 7765 7767 7768 7769 - 1.000000e-027769 7767 H2A SLES 1 -48.8705 -12.9336 -11.2545 HCA2 7766 0 0 0 9.000000e-027770 7768 H2B SLES 1 -48.9052 -14.4289 -10.2188 HCA2 7766 0 0 0 9.000000e-027771 7769 C1 SLES 1 -48.0588 -12.4623 -9.18131 CC32A 7766 7770 7771 7772 - 1.000000e-027772 7770 H1B SLES 1 -47.6338 -11.8853 -10.0132 HCA2 7769 0 0 0 9.000000e-027773 7771 H1A SLES 1 -47.7308 -13.5172 -8.86206 HCA2 7769 0 0 0 9.000000e-027774 7772 O1 SLES 1 -47.0586 -12.1235 -8.25574 OC30A 7769 7773 0 0 - 3.400000e-017775 7773 C1 SLES 1 -45.7023 -12.2958 -8.64131 CTL2 7772 7774 7775 7776 - 1.800000e-017776 7774 H11 SLES 1 -45.4217 -11.8944 -9.65489 HAL2 7773 0 0 0 9.000000e-027777 7775 H12 SLES 1 -45.4291 -13.3811 -8.63156 HAL2 7773 0 0 0 9.000000e-027778 7776 C2 SLES 1 -45.0271 -11.515 -7.51469 CTL2 7773 7777 7778 7779 - 1.800000e-017779 7777 H21 SLES 1 -45.2401 -10.4193 -7.5426 HAL2 7776 0 0 0 9.000000e-027780 7778 H22 SLES 1 -45.2765 -11.9074 -6.49875 HAL2 7776 0 0 0 9.000000e-027781 7779 C3 SLES 1 -43.5918 -11.737 -7.77361 CTL2 7776 7780 7781 7782 - 1.800000e-017782 7780 H31 SLES 1 -43.4176 -11.3235 -8.80416 HAL2 7779 0 0 0 9.000000e-027783 7781 H32 SLES 1 -43.4599 -12.8536 -7.73512 HAL2 7779 0 0 0 9.000000e-027784 7782 C4 SLES 1 -42.5434 -11.1495 -6.88557 CTL2 7779 7783 7784 7785 - 1.800000e-017785 7783 H41 SLES 1 -42.6023 -10.0333 -6.86938 HAL2 7782 0 0 0 9.000000e-027786 7784 H42 SLES 1 -42.6464 -11.5154 -5.83706 HAL2 7782 0 0 0 9.000000e-027787 7785 C5 SLES 1 -41.3107 -11.6964 -7.61816 CTL2 7782 7786 7787 7788 - 1.800000e-017788 7786 H51 SLES 1 -41.3036 -11.3529 -8.68682 HAL2 7785 0 0 0 9.000000e-027789 7787 H52 SLES 1 -41.3468 -12.8166 -7.66575 HAL2 7785 0 0 0 9.000000e-027790 7788 C6 SLES 1 -39.9965 -11.3495 -7.06521 CTL2 7785 7789 7790 7791 - 1.800000e-017791 7789 H61 SLES 1 -39.4262 -10.8549 -7.89769 HAL2 7788 0 0 0 9.000000e-027792 7790 H62 SLES 1 -39.4694 -12.3225 -6.87361 HAL2 7788 0 0 0 9.000000e-027793 7791 C7 SLES 1 -39.983 -10.4728 -5.80706 CTL2 7788 7792 7793 7794 - 1.800000e-017794 7792 H71 SLES 1 -40.4226 -9.45841 -5.95652 HAL2 7791 0 0 0 9.000000e-027795 7793 H72 SLES 1 -40.4661 -10.9444 -4.91993 HAL2 7791 0 0 0 9.000000e-027796 7794 C8 SLES 1 -38.5142 -10.3746 -5.60628 CTL2 7791 7795 7796 7797 - 1.800000e-017797 7795 H81 SLES 1 -38.0961 -9.91306 -6.54458 HAL2 7794 0 0 0 9.000000e-027798 7796 H82 SLES 1 -38.1411 -11.4314 -5.48645 HAL2 7794 0 0 0 9.000000e-027799 7797 C9 SLES 1 -37.9591 -9.59554 -4.46534 CTL2 7794 7798 7799 7800 - 1.800000e-017800 7798 H91 SLES 1 -38.273 -8.53025 -4.53815 HAL2 7797 0 0 0 9.000000e-027801 7799 H92 SLES 1 -38.3165 -10.0197 -3.5002 HAL2 7797 0 0 0 9.000000e-027802 7800 C10 SLES 1 -36.4635 -9.80103 -4.69711 CTL2 7797 7801 7802 7803 - 1.800000e-017803 7801 H10 SLES 1 -36.179 -9.42086 -5.71533 HAL2 7800 0 0 0 9.000000e-027804 7802 H10 SLES 1 -36.2225 -10.8989 -4.68476 HAL2 7800 0 0 0 9.000000e-027805 7803 C11 SLES 1 -35.5709 -9.13362 -3.70191 CTL2 7800 7804 7805 7806 - 1.800000e-017806 7804 H11 SLES 1 -35.7974 -8.04236 -3.73245 HAL2 7803 0 0 0 9.000000e-027807 7805 H11 SLES 1 -35.8415 -9.52904 -2.69547 HAL2 7803 0 0 0 9.000000e-027808 7806 C12 SLES 1 -34.1101 -9.42392 -4.05746 CTL3 7803 7807 7808 7809 - 2.700000e-017809 7807 H12 SLES 1 -33.5772 -8.47793 -4.27498 HAL3 7806 0 0 0 9.000000e-027810 7808 H12 SLES 1 -33.6209 -9.97538 -3.23101 HAL3 7806 0 0 0 9.000000e-027811 7809 H12 SLES 1 -34.0122 -10.063 -4.96927 HAL3 7806 0 0 0 9.000000e-027812 7810 NA SLES 1 -50.0696 -27.9863 -10.6938 NA 0 0 0 0 1 .000000e+007813 7811 S SLES 1 -47.8295 -27.939 -12.7318 SL 7812 7813 7814 7815 1.33 0000e+007814 7812 OS1 SLES 1 -47.2751 -27.2654 -11.5451 OSL 7811 7816 0 0 - 2.800000e-017815 7813 OS2 SLES 1 -48.9247 -26.9968 -12.7901 O2L 7811 0 0 0 - 6.500000e-017816 7814 OS3 SLES 1 -48.0914 -29.1362 -11.9666 O2L 7811 0 0 0 - 6.500000e-017817 7815 OS4 SLES 1 -46.8029 -27.9243 -13.7357 O2L 7811 0 0 0 - 6.500000e-017818 7816 C2 SLES 1 -46.0138 -26.7534 -11.3779 CC32A 7812 7817 7818 7819 - 1.100000e-017819 7817 H2A SLES 1 -45.8077 -25.9497 -12.1333 HCA2 7816 0 0 0 9.000000e-027820 7818 H2B SLES 1 -45.2389 -27.5608 -11.4626 HCA2 7816 0 0 0 9.000000e-027821 7819 C1 SLES 1 -46.0852 -26.18 -9.94625 CC32A 7816 7820 7821 7822 - 1.000000e-027822 7820 H1B SLES 1 -46.8844 -25.3982 -9.86707 HCA2 7819 0 0 0 9.000000e-027823 7821 H1A SLES 1 -46.3 -26.9879 -9.20438 HCA2 7819 0 0 0 9.000000e-027824 7822 O1 SLES 1 -44.9594 -25.5568 -9.41865 OC30A 7819 7823 0 0 - 3.400000e-017825 7823 C2 SLES 1 -43.8072 -25.4628 -10.2362 CC32A 7822 7824 7825 7826 - 1.000000e-027826 7824 H2A SLES 1 -44.0394 -24.8895 -11.179 HCA2 7823 0 0 0 9.000000e-027827 7825 H2B SLES 1 -43.43 -26.4726 -10.5218 HCA2 7823 0 0 0 9.000000e-027828 7826 C1 SLES 1 -43.1735 -24.5849 -9.0966 CC32A 7823 7827 7828 7829 - 1.000000e-027829 7827 H1B SLES 1 -43.0814 -23.739 -9.79063 HCA2 7826 0 0 0 9.000000e-027830 7828 H1A SLES 1 -42.4687 -25.4923 -9.05005 HCA2 7826 0 0 0 9.000000e-027831 7829 O1 SLES 1 -42.2362 -24.1024 -8.16889 OC30A 7826 7830 0 0 - 3.400000e-017832 7830 C1 SLES 1 -40.9642 -23.6941 -8.65175 CTL2 7829 7831 7832 7833 - 1.800000e-017833 7831 H11 SLES 1 -40.9707 -23.0236 -9.55597 HAL2 7830 0 0 0 9.000000e-027834 7832 H12 SLES 1 -40.3403 -24.5866 -8.91005 HAL2 7830 0 0 0 9.000000e-027835 7833 C2 SLES 1 -40.4535 -22.9663 -7.40904 CTL2 7830 7834 7835 7836 - 1.800000e-017836 7834 H21 SLES 1 -41.0272 -22.039 -7.16896 HAL2 7833 0 0 0 9.000000e-027837 7835 H22 SLES 1 -40.4207 -23.6178 -6.50198 HAL2 7833 0 0 0 9.000000e-027838 7836 C3 SLES 1 -39.0746 -22.6002 -7.78453 CTL2 7833 7837 7838 7839 - 1.800000e-017839 7837 H31 SLES 1 -39.1865 -21.9536 -8.69706 HAL2 7836 0 0 0 9.000000e-027840 7838 H32 SLES 1 -38.5679 -23.5779 -8.01518 HAL2 7836 0 0 0 9.000000e-027841 7839 C4 SLES 1 -38.1815 -21.8663 -6.83747 CTL2 7836 7840 7841 7842 - 1.800000e-017842 7840 H41 SLES 1 -38.6129 -20.8737 -6.55749 HAL2 7839 0 0 0 9.000000e-027843 7841 H42 SLES 1 -38.0171 -22.4476 -5.89995 HAL2 7839 0 0 0 9.000000e-027844 7842 C5 SLES 1 -36.9429 -21.7739 -7.73871 CTL2 7839 7843 7844 7845 - 1.800000e-017845 7843 H51 SLES 1 -37.1916 -21.2435 -8.69625 HAL2 7842 0 0 0 9.000000e-027846 7844 H52 SLES 1 -36.6027 -22.7979 -8.04533 HAL2 7842 0 0 0 9.000000e-027847 7845 C6 SLES 1 -35.7642 -21.0962 -7.18668 CTL2 7842 7846 7847 7848 - 1.800000e-017848 7846 H61 SLES 1 -35.5088 -20.2731 -7.90783 HAL2 7845 0 0 0 9.000000e-027849 7847 H62 SLES 1 -34.9182 -21.8317 -7.25492 HAL2 7845 0 0 0 9.000000e-027850 7848 C7 SLES 1 -35.8854 -20.5456 -5.7606 CTL2 7845 7849 7850 7851 - 1.800000e-017851 7849 H71 SLES 1 -36.6584 -19.7494 -5.64616 HAL2 7848 0 0 0 9.000000e-027852 7850 H72 SLES 1 -36.0602 -21.3274 -4.98537 HAL2 7848 0 0 0 9.000000e-027853 7851 C8 SLES 1 -34.5241 -19.9681 -5.61646 CTL2 7848 7852 7853 7854 - 1.800000e-017854 7852 H81 SLES 1 -34.4131 -19.2086 -6.44044 HAL2 7851 0 0 0 9.000000e-027855 7853 H82 SLES 1 -33.8025 -20.8209 -5.76625 HAL2 7851 0 0 0 9.000000e-027856 7854 C9 SLES 1 -34.1227 -19.288 -4.35424 CTL2 7851 7855 7856 7857 - 1.800000e-017857 7855 H91 SLES 1 -34.786 -18.4156 -4.15979 HAL2 7854 0 0 0 9.000000e-027858 7856 H92 SLES 1 -34.1865 -19.9971 -3.4985 HAL2 7854 0 0 0 9.000000e-027859 7857 C10 SLES 1 -32.6898 -18.8906 -4.70252 CTL2 7854 7858 7859 7860 - 1.800000e-017860 7858 H10 SLES 1 -32.686 -18.2372 -5.61644 HAL2 7857 0 0 0 9.000000e-027861 7859 H10 SLES 1 -32.0913 -19.8067 -4.95963 HAL2 7857 0 0 0 9.000000e-027862 7860 C11 SLES 1 -31.9551 -18.1616 -3.62489 CTL2 7857 7861 7862 7863 - 1.800000e-017863 7861 H11 SLES 1 -32.5402 -17.2426 -3.38771 HAL2 7860 0 0 0 9.000000e-027864 7862 H11 SLES 1 -31.9423 -18.8215 -2.72669 HAL2 7860 0 0 0 9.000000e-027865 7863 C12 SLES 1 -30.5418 -17.8291 -4.11147 CTL3 7860 7864 7865 7866 - 2.700000e-017866 7864 H12 SLES 1 -30.3945 -16.7317 -4.12799 HAL3 7863 0 0 0 9.000000e-027867 7865 H12 SLES 1 -29.7915 -18.3217 -3.46273 HAL3 7863 0 0 0 9.000000e-027868 7866 H12 SLES 1 -30.3524 -18.1929 -5.15128 HAL3 7863 0 0 0 9.000000e-027869 7867 NA SLES 1 -40.7904 -40.3981 -10.563 NA 0 0 0 0 1 .000000e+007870 7868 S SLES 1 -39.0956 -39.2132 -12.7761 SL 7869 7870 7871 7872 1.33 0000e+007871 7869 OS1 SLES 1 -38.5979 -38.5841 -11.5409 OSL 7868 7873 0 0 - 2.800000e-017872 7870 OS2 SLES 1 -40.4353 -38.7373 -12.5124 O2L 7868 0 0 0 - 6.500000e-017873 7871 OS3 SLES 1 -38.8006 -40.5298 -12.2597 O2L 7868 0 0 0 - 6.500000e-017874 7872 OS4 SLES 1 -38.3291 -38.6654 -13.8597 O2L 7868 0 0 0 - 6.500000e-017875 7873 C2 SLES 1 -37.573 -37.6826 -11.4071 CC32A 7869 7874 7875 7876 - 1.100000e-017876 7874 H2A SLES 1 -37.786 -36.7488 -11.9917 HCA2 7873 0 0 0 9.000000e-027877 7875 H2B SLES 1 -36.6003 -38.1282 -11.746 HCA2 7873 0 0 0 9.000000e-027878 7876 C1 SLES 1 -37.577 -37.4123 -9.88707 CC32A 7873 7877 7878 7879 - 1.000000e-027879 7877 H1B SLES 1 -38.5647 -36.9981 -9.55637 HCA2 7876 0 0 0 9.000000e-027880 7878 H1A SLES 1 -37.3731 -38.3509 -9.3155 HCA2 7876 0 0 0 9.000000e-027881 7879 O1 SLES 1 -36.6508 -36.5159 -9.36486 OC30A 7876 7880 0 0 - 3.400000e-017882 7880 C2 SLES 1 -35.7615 -35.8795 -10.2643 CC32A 7879 7881 7882 7883 - 1.000000e-027883 7881 H2A SLES 1 -36.3361 -35.2864 -11.0322 HCA2 7880 0 0 0 9.000000e-027884 7882 H2B SLES 1 -35.1246 -36.6233 -10.7979 HCA2 7880 0 0 0 9.000000e-027885 7883 C1 SLES 1 -35.2673 -35.0266 -9.03993 CC32A 7880 7884 7885 7886 - 1.000000e-027886 7884 H1B SLES 1 -35.589 -34.1054 -9.54358 HCA2 7883 0 0 0 9.000000e-027887 7885 H1A SLES 1 -34.3026 -35.6105 -9.26503 HCA2 7883 0 0 0 9.000000e-027888 7886 O1 SLES 1 -34.3972 -34.3921 -8.13868 OC30A 7883 7887 0 0 - 3.400000e-017889 7887 C1 SLES 1 -33.443 -33.4775 -8.65929 CTL2 7886 7888 7889 7890 - 1.800000e-017890 7888 H11 SLES 1 -33.8345 -32.7194 -9.39361 HAL2 7887 0 0 0 9.000000e-027891 7889 H12 SLES 1 -32.6124 -34.0283 -9.16836 HAL2 7887 0 0 0 9.000000e-027892 7890 C2 SLES 1 -32.9939 -32.8235 -7.35336 CTL2 7887 7891 7892 7893 - 1.800000e-017893 7891 H21 SLES 1 -33.7931 -32.2197 -6.86003 HAL2 7890 0 0 0 9.000000e-027894 7892 H22 SLES 1 -32.584 -33.5551 -6.61509 HAL2 7890 0 0 0 9.000000e-027895 7893 C3 SLES 1 -31.9076 -31.9261 -7.79038 CTL2 7890 7894 7895 7896 - 1.800000e-017896 7894 H31 SLES 1 -32.3901 -31.2268 -8.52635 HAL2 7893 0 0 0 9.000000e-027897 7895 H32 SLES 1 -31.152 -32.6021 -8.27796 HAL2 7893 0 0 0 9.000000e-027898 7896 C4 SLES 1 -31.1593 -31.0801 -6.81193 CTL2 7893 7897 7898 7899 - 1.800000e-017899 7897 H41 SLES 1 -31.8416 -30.371 -6.28148 HAL2 7896 0 0 0 9.000000e-027900 7898 H42 SLES 1 -30.6458 -31.7043 -6.04349 HAL2 7896 0 0 0 9.000000e-027901 7899 C5 SLES 1 -30.2044 -30.4003 -7.80242 CTL2 7896 7900 7901 7902 - 1.800000e-017902 7900 H51 SLES 1 -30.7824 -29.8503 -8.59196 HAL2 7899 0 0 0 9.000000e-027903 7901 H52 SLES 1 -29.6007 -31.1672 -8.35548 HAL2 7899 0 0 0 9.000000e-027904 7902 C6 SLES 1 -29.2431 -29.4387 -7.25066 CTL2 7899 7903 7904 7905 - 1.800000e-017905 7903 H61 SLES 1 -29.411 -28.4747 -7.8033 HAL2 7902 0 0 0 9.000000e-027906 7904 H62 SLES 1 -28.2259 -29.7952 -7.56598 HAL2 7902 0 0 0 9.000000e-027907 7905 C7 SLES 1 -29.2867 -29.2065 -5.7355 CTL2 7902 7906 7907 7908 - 1.800000e-017908 7906 H71 SLES 1 -30.2485 -28.7751 -5.37035 HAL2 7905 0 0 0 9.000000e-027909 7907 H72 SLES 1 -29.0485 -30.1119 -5.13034 HAL2 7905 0 0 0 9.000000e-027910 7908 C8 SLES 1 -28.1953 -28.2048 -5.62103 CTL2 7905 7909 7910 7911 - 1.800000e-017911 7909 H81 SLES 1 -28.4937 -27.3351 -6.2713 HAL2 7908 0 0 0 9.000000e-027912 7910 H82 SLES 1 -27.2682 -28.701 -6.02694 HAL2 7908 0 0 0 9.000000e-027913 7911 C9 SLES 1 -27.8279 -27.6375 -4.29438 CTL2 7908 7912 7913 7914 - 1.800000e-017914 7912 H91 SLES 1 -28.6996 -27.1092 -3.8473 HAL2 7911 0 0 0 9.000000e-027915 7913 H92 SLES 1 -27.4971 -28.4488 -3.60769 HAL2 7911 0 0 0 9.000000e-027916 7914 C10 SLES 1 -26.6973 -26.6961 -4.70423 CTL2 7911 7915 7916 7917 - 1.800000e-017917 7915 H10 SLES 1 -27.0752 -25.9483 -5.45272 HAL2 7914 0 0 0 9.000000e-027918 7916 H10 SLES 1 -25.882 -27.2779 -5.21439 HAL2 7914 0 0 0 9.000000e-027919 7917 C11 SLES 1 -26.0707 -25.933 -3.58274 CTL2 7914 7918 7919 7920 - 1.800000e-017920 7918 H11 SLES 1 -26.8781 -25.3404 -3.09277 HAL2 7917 0 0 0 9.000000e-027921 7919 H11 SLES 1 -25.678 -26.6782 -2.8527 HAL2 7917 0 0 0 9.000000e-027922 7920 C12 SLES 1 -24.961 -25.0361 -4.13854 CTL3 7917 7921 7922 7923 - 2.700000e-017923 7921 H12 SLES 1 -25.1957 -23.9729 -3.93682 HAL3 7920 0 0 0 9.000000e-027924 7922 H12 SLES 1 -23.9865 -25.3196 -3.69553 HAL3 7920 0 0 0 9.000000e-027925 7923 H12 SLES 1 -24.8485 -25.1341 -5.2463 HAL3 7920 0 0 0 9.000000e-027926 7924 NA SLES 1 -28.4779 -49.8493 -10.5611 NA 0 0 0 0 1 .000000e+007927 7925 S SLES 1 -27.7917 -47.8955 -12.7716 SL 7926 7927 7928 7929 1.33 0000e+007928 7926 OS1 SLES 1 -27.2828 -47.2674 -11.5404 OSL 7925 7930 0 0 - 2.800000e-017929 7927 OS2 SLES 1 -29.1244 -47.9709 -12.2159 O2L 7925 0 0 0 - 6.500000e-017930 7928 OS3 SLES 1 -26.9693 -49.0628 -12.5514 O2L 7925 0 0 0 - 6.500000e-017931 7929 OS4 SLES 1 -27.5029 -46.9918 -13.8495 O2L 7925 0 0 0 - 6.500000e-017932 7930 C2 SLES 1 -26.616 -46.0753 -11.415 CC32A 7926 7931 7932 7933 - 1.100000e-017933 7931 H2A SLES 1 -27.2492 -45.2251 -11.7825 HCA2 7930 0 0 0 9.000000e-027934 7932 H2B SLES 1 -25.6461 -46.0971 -11.9793 HCA2 7930 0 0 0 9.000000e-027935 7933 C1 SLES 1 -26.3865 -45.9926 -9.89053 CC32A 7930 7934 7935 7936 - 1.000000e-027936 7934 H1B SLES 1 -27.3612 -46.0045 -9.3373 HCA2 7933 0 0 0 9.000000e-027937 7935 H1A SLES 1 -25.7627 -46.8492 -9.53503 HCA2 7933 0 0 0 9.000000e-027938 7936 O1 SLES 1 -25.7259 -44.8836 -9.37303 OC30A 7933 7937 0 0 - 3.400000e-017939 7937 C2 SLES 1 -25.3149 -43.8735 -10.2761 CC32A 7936 7938 7939 7940 - 1.000000e-027940 7938 H2A SLES 1 -26.2048 -43.4498 -10.824 HCA2 7937 0 0 0 9.000000e-027941 7939 H2B SLES 1 -24.5948 -44.2718 -11.0285 HCA2 7937 0 0 0 9.000000e-027942 7940 C1 SLES 1 -24.8866 -43.0383 -9.01518 CC32A 7937 7941 7942 7943 - 1.000000e-027943 7941 H1B SLES 1 -25.598 -42.248 -9.28894 HCA2 7940 0 0 0 9.000000e-027944 7942 H1A SLES 1 -23.8534 -43.2033 -9.49235 HCA2 7940 0 0 0 9.000000e-027945 7943 O1 SLES 1 -24.1088 -42.2334 -8.16718 OC30A 7940 7944 0 0 - 3.400000e-017946 7944 C1 SLES 1 -23.6509 -40.9836 -8.66342 CTL2 7943 7945 7946 7947 - 1.800000e-017947 7945 H11 SLES 1 -24.4209 -40.3443 -9.17888 HAL2 7944 0 0 0 9.000000e-027948 7946 H12 SLES 1 -22.8124 -41.1357 -9.38887 HAL2 7944 0 0 0 9.000000e-027949 7947 C2 SLES 1 -23.1798 -40.3577 -7.35142 CTL2 7944 7948 7949 7950 - 1.800000e-017950 7948 H21 SLES 1 -24.0105 -40.1434 -6.63689 HAL2 7947 0 0 0 9.000000e-027951 7949 H22 SLES 1 -22.4009 -40.9662 -6.83038 HAL2 7947 0 0 0 9.000000e-027952 7950 C3 SLES 1 -22.5771 -39.085 -7.79077 CTL2 7947 7951 7952 7953 - 1.800000e-017953 7951 H31 SLES 1 -23.4112 -38.533 -8.30368 HAL2 7950 0 0 0 9.000000e-027954 7952 H32 SLES 1 -21.7608 -39.3825 -8.50556 HAL2 7950 0 0 0 9.000000e-027955 7953 C4 SLES 1 -21.9656 -38.137 -6.81067 CTL2 7950 7954 7955 7956 - 1.800000e-017956 7954 H41 SLES 1 -22.7165 -37.7868 -6.06017 HAL2 7953 0 0 0 9.000000e-027957 7955 H42 SLES 1 -21.1212 -38.6117 -6.2579 HAL2 7953 0 0 0 9.000000e-027958 7956 C5 SLES 1 -21.5284 -37.0529 -7.80497 CTL2 7953 7957 7958 7959 - 1.800000e-017959 7957 H51 SLES 1 -22.4115 -36.668 -8.38104 HAL2 7956 0 0 0 9.000000e-027960 7958 H52 SLES 1 -20.835 -37.4826 -8.57506 HAL2 7956 0 0 0 9.000000e-027961 7959 C6 SLES 1 -20.8512 -35.874 -7.25281 CTL2 7956 7960 7961 7962 - 1.800000e-017962 7960 H61 SLES 1 -21.4463 -34.9828 -7.59121 HAL2 7959 0 0 0 9.000000e-027963 7961 H62 SLES 1 -19.8653 -35.7997 -7.7856 HAL2 7959 0 0 0 9.000000e-027964 7962 C7 SLES 1 -20.6461 -35.8403 -5.73348 CTL2 7959 7963 7964 7965 - 1.800000e-017965 7963 H71 SLES 1 -21.5957 -35.8307 -5.1479 HAL2 7962 0 0 0 9.000000e-027966 7964 H72 SLES 1 -19.995 -36.6575 -5.34495 HAL2 7962 0 0 0 9.000000e-027967 7965 C8 SLES 1 -19.9562 -34.5294 -5.61967 CTL2 7962 7966 7967 7968 - 1.800000e-017968 7966 H81 SLES 1 -20.6602 -33.7623 -6.04868 HAL2 7965 0 0 0 9.000000e-027969 7967 H82 SLES 1 -19.0255 -34.6073 -6.25076 HAL2 7965 0 0 0 9.000000e-027970 7968 C9 SLES 1 -19.5266 -34.0158 -4.28984 CTL2 7965 7969 7970 7971 - 1.800000e-017971 7969 H91 SLES 1 -20.4084 -33.8927 -3.622 HAL2 7968 0 0 0 9.000000e-027972 7970 H92 SLES 1 -18.8046 -34.7211 -3.82033 HAL2 7968 0 0 0 9.000000e-027973 7971 C10 SLES 1 -18.8921 -32.6891 -4.70212 CTL2 7968 7972 7973 7974 - 1.800000e-017974 7972 H10 SLES 1 -19.6493 -32.053 -5.23535 HAL2 7971 0 0 0 9.000000e-027975 7973 H10 SLES 1 -18.0576 -32.8754 -5.43167 HAL2 7971 0 0 0 9.000000e-027976 7974 C11 SLES 1 -18.3341 -31.8778 -3.57832 CTL2 7971 7975 7976 7977 - 1.800000e-017977 7975 H11 SLES 1 -19.1693 -31.6765 -2.86774 HAL2 7974 0 0 0 9.000000e-027978 7976 H11 SLES 1 -17.5682 -32.5041 -3.06493 HAL2 7974 0 0 0 9.000000e-027979 7977 C12 SLES 1 -17.7351 -30.5839 -4.13683 CTL3 7974 7978 7979 7980 - 2.700000e-017980 7978 H12 SLES 1 -18.264 -29.7076 -3.71448 HAL3 7977 0 0 0 9.000000e-027981 7979 H12 SLES 1 -16.6512 -30.5404 -3.91355 HAL3 7977 0 0 0 9.000000e-027982 7980 H12 SLES 1 -17.835 -30.5128 -5.24786 HAL3 7977 0 0 0 9.000000e-027983 7981 NA SLES 1 -14.0881 -55.6054 -10.6883 NA 0 0 0 0 1 .000000e+007984 7982 S SLES 1 -14.643 -53.4272 -12.7185 SL 7983 7984 7985 7986 1.33 0000e+007985 7983 OS1 SLES 1 -14.1041 -52.7207 -11.5438 OSL 7982 7987 0 0 - 2.800000e-017986 7984 OS2 SLES 1 -15.7016 -54.0048 -11.9208 O2L 7982 0 0 0 - 6.500000e-017987 7985 OS3 SLES 1 -13.4462 -54.23 -12.8218 O2L 7982 0 0 0 - 6.500000e-017988 7986 OS4 SLES 1 -14.9386 -52.4272 -13.7056 O2L 7982 0 0 0 - 6.500000e-017989 7987 C2 SLES 1 -13.8715 -51.3766 -11.4011 CC32A 7983 7988 7989 7990 - 1.100000e-017990 7988 H2A SLES 1 -14.8228 -50.7937 -11.5201 HCA2 7987 0 0 0 9.000000e-027991 7989 H2B SLES 1 -13.1125 -51.0196 -12.1469 HCA2 7987 0 0 0 9.000000e-027992 7990 C1 SLES 1 -13.3336 -51.2936 -9.95639 CC32A 7987 7991 7992 7993 - 1.000000e-027993 7991 H1B SLES 1 -14.0882 -51.683 -9.22481 HCA2 7990 0 0 0 9.000000e-027994 7992 H1A SLES 1 -12.3915 -51.8852 -9.84799 HCA2 7990 0 0 0 9.000000e-027995 7993 O1 SLES 1 -12.9866 -50.0487 -9.4426 OC30A 7990 7994 0 0 - 3.400000e-017996 7994 C2 SLES 1 -13.1662 -48.9143 -10.2707 CC32A 7993 7995 7996 7997 - 1.000000e-027997 7995 H2A SLES 1 -14.2489 -48.8121 -10.5687 HCA2 7994 0 0 0 9.000000e-027998 7996 H2B SLES 1 -12.551 -48.9886 -11.1979 HCA2 7994 0 0 0 9.000000e-027999 7997 C1 SLES 1 -12.764 -48.0454 -9.02404 CC32A 7994 7998 7999 8000 - 1.000000e-028000 7998 H1B SLES 1 -13.7443 -47.5513 -9.04406 HCA2 7997 0 0 0 9.000000e-028001 7999 H1A SLES 1 -11.8783 -47.8035 -9.7165 HCA2 7997 0 0 0 9.000000e-028002 8000 O1 SLES 1 -12.1298 -47.0583 -8.25244 OC30A 7997 8001 0 0 - 3.400000e-018003 8001 C1 SLES 1 -12.2526 -45.7042 -8.66385 CTL2 8000 8002 8003 8004 - 1.800000e-018004 8002 H11 SLES 1 -13.2917 -45.3597 -8.9264 HAL2 8001 0 0 0 9.000000e-028005 8003 H12 SLES 1 -11.6069 -45.5078 -9.55655 HAL2 8001 0 0 0 9.000000e-028006 8004 C2 SLES 1 -11.7285 -45.0176 -7.40337 CTL2 8001 8005 8006 8007 - 1.800000e-018007 8005 H21 SLES 1 -12.3909 -45.1526 -6.51473 HAL2 8004 0 0 0 9.000000e-028008 8006 H22 SLES 1 -10.6905 -45.3305 -7.13318 HAL2 8004 0 0 0 9.000000e-028009 8007 C3 SLES 1 -11.7139 -43.5928 -7.78567 CTL2 8004 8008 8009 8010 - 1.800000e-018010 8008 H31 SLES 1 -12.7811 -43.3529 -8.04422 HAL2 8007 0 0 0 9.000000e-028011 8009 H32 SLES 1 -11.0365 -43.5405 -8.68247 HAL2 8007 0 0 0 9.000000e-028012 8010 C4 SLES 1 -11.2488 -42.5389 -6.8338 CTL2 8007 8011 8012 8013 - 1.800000e-018013 8011 H41 SLES 1 -11.8761 -42.5205 -5.90862 HAL2 8010 0 0 0 9.000000e-028014 8012 H42 SLES 1 -10.1891 -42.7052 -6.52858 HAL2 8010 0 0 0 9.000000e-028015 8013 C5 SLES 1 -11.4508 -41.3216 -7.74616 CTL2 8010 8014 8015 8016 - 1.800000e-018016 8014 H51 SLES 1 -12.5209 -41.2517 -8.07787 HAL2 8013 0 0 0 9.000000e-028017 8015 H52 SLES 1 -10.8537 -41.4339 -8.68911 HAL2 8013 0 0 0 9.000000e-028018 8016 C6 SLES 1 -11.1044 -40.0074 -7.19296 CTL2 8013 8017 8018 8019 - 1.800000e-018019 8017 H61 SLES 1 -12.0281 -39.3741 -7.28602 HAL2 8016 0 0 0 9.000000e-028020 8018 H62 SLES 1 -10.3561 -39.5567 -7.89881 HAL2 8016 0 0 0 9.000000e-028021 8019 C7 SLES 1 -10.5733 -39.9786 -5.75467 CTL2 8016 8020 8021 8022 - 1.800000e-018022 8020 H71 SLES 1 -11.3047 -40.3406 -4.99397 HAL2 8019 0 0 0 9.000000e-028023 8021 H72 SLES 1 -9.61196 -40.5253 -5.61459 HAL2 8019 0 0 0 9.000000e-028024 8022 C8 SLES 1 -10.3627 -38.5147 -5.61248 CTL2 8019 8023 8024 8025 - 1.800000e-018025 8023 H81 SLES 1 -11.3647 -38.0317 -5.78774 HAL2 8022 0 0 0 9.000000e-028026 8024 H82 SLES 1 -9.63605 -38.2208 -6.42245 HAL2 8022 0 0 0 9.000000e-028027 8025 C9 SLES 1 -9.83416 -37.9485 -4.34093 CTL2 8022 8026 8027 8028 - 1.800000e-018028 8026 H91 SLES 1 -10.523 -38.1845 -3.49922 HAL2 8025 0 0 0 9.000000e-028029 8027 H92 SLES 1 -8.82718 -38.3694 -4.12193 HAL2 8025 0 0 0 9.000000e-028030 8028 C10 SLES 1 -9.80252 -36.4634 -4.69633 CTL2 8025 8029 8030 8031 - 1.800000e-018031 8029 H10 SLES 1 -10.833 -36.1163 -4.97913 HAL2 8028 0 0 0 9.000000e-028032 8030 H10 SLES 1 -9.14971 -36.3001 -5.59668 HAL2 8028 0 0 0 9.000000e-028033 8031 C11 SLES 1 -9.30617 -35.5633 -3.61195 CTL2 8028 8032 8033 8034 - 1.800000e-018034 8032 H11 SLES 1 -9.96911 -35.7118 -2.72793 HAL2 8031 0 0 0 9.000000e-028035 8033 H11 SLES 1 -8.27571 -35.8971 -3.3489 HAL2 8031 0 0 0 9.000000e-028036 8034 C12 SLES 1 -9.32992 -34.1142 -4.10647 CTL3 8031 8035 8036 8037 - 2.700000e-018037 8035 H12 SLES 1 -10.0102 -33.5092 -3.47614 HAL3 8034 0 0 0 9.000000e-028038 8036 H12 SLES 1 -8.30489 -33.695 -4.10193 HAL3 8034 0 0 0 9.000000e-028039 8037 H12 SLES 1 -9.70514 -34.0281 -5.15585 HAL3 8034 0 0 0 9.000000e-028040 8038 NA SLES 1 1.2519 -57.2544 -10.9359 NA 0 0 0 0 1 .000000e+008041 8039 S SLES 1 -0.48998 -55.4372 -12.6204 SL 8040 8041 8042 8043 1.33 0000e+008042 8040 OS1 SLES 1 0.0356554 -54.5718 -11.5508 OSL 8039 8044 0 0 - 2.800000e-018043 8041 OS2 SLES 1 -1.06018 -56.3418 -11.6472 O2L 8039 0 0 0 - 6.500000e-018044 8042 OS3 SLES 1 0.848698 -55.7667 -13.0524 O2L 8039 0 0 0 - 6.500000e-018045 8043 OS4 SLES 1 -1.34 -54.618 -13.438 O2L 8039 0 0 0 - 6.500000e-018046 8044 C2 SLES 1 -0.183811 -53.2305 -11.3664 CC32A 8040 8045 8046 8047 - 1.100000e-018047 8045 H2A SLES 1 -1.27696 -53.0227 -11.2223 HCA2 8044 0 0 0 9.000000e-028048 8046 H2B SLES 1 0.203164 -52.6376 -12.2372 HCA2 8044 0 0 0 9.000000e-028049 8047 C1 SLES 1 0.621073 -52.9455 -10.0802 CC32A 8044 8048 8049 8050 - 1.000000e-028050 8048 H1B SLES 1 0.245908 -53.5675 -9.22655 HCA2 8047 0 0 0 9.000000e-028051 8049 H1A SLES 1 1.7063 -53.1649 -10.2331 HCA2 8047 0 0 0 9.000000e-028052 8050 O1 SLES 1 0.6284 -51.6522 -9.56883 OC30A 8047 8051 0 0 - 3.400000e-018053 8051 C2 SLES 1 -0.124691 -50.6644 -10.2485 CC32A 8050 8052 8053 8054 - 1.000000e-028054 8052 H2A SLES 1 -1.21367 -50.9548 -10.2837 HCA2 8051 0 0 0 9.000000e-028055 8053 H2B SLES 1 0.23748 -50.5278 -11.2943 HCA2 8051 0 0 0 9.000000e-028056 8054 C1 SLES 1 0.238069 -49.6946 -9.06589 CC32A 8051 8055 8056 8057 - 1.000000e-028057 8055 H1B SLES 1 -0.827066 -49.5788 -8.82563 HCA2 8054 0 0 0 9.000000e-028058 8056 H1A SLES 1 0.792486 -49.1638 -9.92223 HCA2 8054 0 0 0 9.000000e-028059 8057 O1 SLES 1 0.656792 -48.5378 -8.38865 OC30A 8054 8058 0 0 - 3.400000e-018060 8058 C1 SLES 1 -0.0211082 -47.3195 -8.66055 CTL2 8057 8059 8060 8061 - 1.800000e-018061 8059 H11 SLES 1 -1.1458 -47.3673 -8.65338 HAL2 8058 0 0 0 9.000000e-028062 8060 H12 SLES 1 0.28348 -46.9184 -9.65999 HAL2 8058 0 0 0 9.000000e-028063 8061 C2 SLES 1 0.518503 -46.4768 -7.50567 CTL2 8058 8062 8063 8064 - 1.800000e-018064 8062 H21 SLES 1 0.176663 -46.8264 -6.50188 HAL2 8061 0 0 0 9.000000e-028065 8063 H22 SLES 1 1.63312 -46.3997 -7.50285 HAL2 8061 0 0 0 9.000000e-028066 8064 C3 SLES 1 -0.0521241 -45.1435 -7.77542 CTL2 8061 8065 8066 8067 - 1.800000e-018067 8065 H31 SLES 1 -1.16526 -45.299 -7.76565 HAL2 8064 0 0 0 9.000000e-028068 8066 H32 SLES 1 0.329941 -44.8661 -8.79663 HAL2 8064 0 0 0 9.000000e-028069 8067 C4 SLES 1 0.233177 -43.9819 -6.87972 CTL2 8064 8068 8069 8070 - 1.800000e-018070 8068 H41 SLES 1 -0.121143 -44.175 -5.83717 HAL2 8067 0 0 0 9.000000e-028071 8069 H42 SLES 1 1.32523 -43.7594 -6.83707 HAL2 8067 0 0 0 9.000000e-028072 8070 C5 SLES 1 -0.589096 -42.9254 -7.63001 CTL2 8067 8071 8072 8073 - 1.800000e-018073 8071 H51 SLES 1 -1.66356 -43.242 -7.70311 HAL2 8070 0 0 0 9.000000e-028074 8072 H52 SLES 1 -0.233893 -42.8309 -8.68986 HAL2 8070 0 0 0 9.000000e-028075 8073 C6 SLES 1 -0.596769 -41.567 -7.07521 CTL2 8070 8074 8075 8076 - 1.800000e-018076 8074 H61 SLES 1 -1.67606 -41.302 -6.90854 HAL2 8073 0 0 0 9.000000e-028077 8075 H62 SLES 1 -0.242321 -40.8896 -7.89789 HAL2 8073 0 0 0 9.000000e-028078 8076 C7 SLES 1 0.219079 -41.3351 -5.79763 CTL2 8073 8077 8078 8079 - 1.800000e-018079 8077 H71 SLES 1 -0.137471 -41.923 -4.91904 HAL2 8076 0 0 0 9.000000e-028080 8078 H72 SLES 1 1.31388 -41.5053 -5.92088 HAL2 8076 0 0 0 9.000000e-028081 8079 C8 SLES 1 -0.0617829 -39.8896 -5.59995 CTL2 8076 8080 8081 8082 - 1.800000e-018082 8080 H81 SLES 1 -1.1799 -39.7938 -5.50628 HAL2 8079 0 0 0 9.000000e-028083 8081 H82 SLES 1 0.302254 -39.3677 -6.53032 HAL2 8079 0 0 0 9.000000e-028084 8082 C9 SLES 1 0.526095 -39.1579 -4.44417 CTL2 8079 8083 8084 8085 - 1.800000e-018085 8083 H91 SLES 1 0.183926 -39.6119 -3.48735 HAL2 8082 0 0 0 9.000000e-028086 8084 H92 SLES 1 1.63769 -39.1934 -4.49194 HAL2 8082 0 0 0 9.000000e-028087 8085 C10 SLES 1 -0.0435056 -37.7618 -4.68726 CTL2 8082 8086 8087 8088 - 1.800000e-018088 8086 H10 SLES 1 -1.1661 -37.8045 -4.70153 HAL2 8085 0 0 0 9.000000e-028089 8087 H10 SLES 1 0.277096 -37.3893 -5.69816 HAL2 8085 0 0 0 9.000000e-028090 8088 C11 SLES 1 0.355008 -36.7314 -3.68133 CTL2 8085 8089 8090 8091 - 1.800000e-018091 8089 H11 SLES 1 0.0162057 -37.0938 -2.68289 HAL2 8088 0 0 0 9.000000e-028092 8090 H11 SLES 1 1.46831 -36.6765 -3.68526 HAL2 8088 0 0 0 9.000000e-028093 8091 C12 SLES 1 -0.285688 -35.3902 -4.04951 CTL3 8088 8092 8093 8094 - 2.700000e-018094 8092 H12 SLES 1 -0.961353 -35.0569 -3.23803 HAL3 8091 0 0 0 9.000000e-028095 8093 H12 SLES 1 0.500563 -34.6359 -4.24783 HAL3 8091 0 0 0 9.000000e-028096 8094 H12 SLES 1 -0.906853 -35.4548 -4.97655 HAL3 8091 0 0 0 9.000000e-028097 8095 NA SLES 1 16.36 -54.74 -11.287 NA 0 0 0 0 1 .000000e+008098 8096 S SLES 1 13.7538 -53.7659 -12.4842 SL 8097 8098 8099 8100 1.33 0000e+008099 8097 OS1 SLES 1 14.1688 -52.6961 -11.5609 OSL 8096 8101 0 0 - 2.800000e-018100 8098 OS2 SLES 1 13.7776 -54.7377 -11.4138 O2L 8096 0 0 0 - 6.500000e-018101 8099 OS3 SLES 1 14.9864 -53.6432 -13.2277 O2L 8096 0 0 0 - 6.500000e-018102 8100 OS4 SLES 1 12.5069 -53.3536 -13.0648 O2L 8096 0 0 0 - 6.500000e-018103 8101 C2 SLES 1 13.5379 -51.5037 -11.3132 CC32A 8097 8102 8103 8104 - 1.100000e-018104 8102 H2A SLES 1 12.5055 -51.6765 -10.9094 HCA2 8101 0 0 0 9.000000e-028105 8103 H2B SLES 1 13.4812 -50.8792 -12.244 HCA2 8101 0 0 0 9.000000e-028106 8104 C1 SLES 1 14.4607 -50.8642 -10.2534 CC32A 8101 8105 8106 8107 - 1.000000e-028107 8105 H1B SLES 1 14.5344 -51.513 -9.34241 HCA2 8104 0 0 0 9.000000e-028108 8106 H1A SLES 1 15.488 -50.7055 -10.664 HCA2 8104 0 0 0 9.000000e-028109 8107 O1 SLES 1 14.127 -49.6142 -9.74313 OC30A 8104 8108 0 0 - 3.400000e-018110 8108 C2 SLES 1 12.9399 -49.0005 -10.2111 CC32A 8107 8109 8110 8111 - 1.000000e-028111 8109 H2A SLES 1 12.0464 -49.6512 -9.98832 HCA2 8108 0 0 0 9.000000e-028112 8110 H2B SLES 1 12.982 -48.8244 -11.3114 HCA2 8108 0 0 0 9.000000e-028113 8111 C1 SLES 1 13.196 -47.8809 -9.13789 CC32A 8108 8112 8113 8114 - 1.000000e-028114 8112 H1B SLES 1 12.2434 -48.1231 -8.64853 HCA2 8111 0 0 0 9.000000e-028115 8113 H1A SLES 1 13.3165 -47.2557 -10.0955 HCA2 8111 0 0 0 9.000000e-028116 8114 O1 SLES 1 13.3217 -46.6042 -8.56654 OC30A 8111 8115 0 0 - 3.400000e-018117 8115 C1 SLES 1 12.2143 -45.7188 -8.65375 CTL2 8114 8116 8117 8118 - 1.800000e-018118 8116 H11 SLES 1 11.2123 -46.1518 -8.37843 HAL2 8115 0 0 0 9.000000e-028119 8117 H12 SLES 1 12.1213 -45.3118 -9.69212 HAL2 8115 0 0 0 9.000000e-028120 8118 C2 SLES 1 12.6695 -44.6591 -7.65134 CTL2 8115 8119 8120 8121 - 1.800000e-018121 8119 H21 SLES 1 12.7115 -45.0305 -6.59922 HAL2 8118 0 0 0 9.000000e-028122 8120 H22 SLES 1 13.6542 -44.2014 -7.91419 HAL2 8118 0 0 0 9.000000e-028123 8121 C3 SLES 1 11.6193 -43.6289 -7.76074 CTL2 8118 8122 8123 8124 - 1.800000e-018124 8122 H31 SLES 1 10.6664 -44.1585 -7.48695 HAL2 8121 0 0 0 9.000000e-028125 8123 H32 SLES 1 11.6353 -43.3124 -8.84026 HAL2 8121 0 0 0 9.000000e-028126 8124 C4 SLES 1 11.672 -42.3777 -6.94531 CTL2 8121 8125 8126 8127 - 1.800000e-018127 8125 H41 SLES 1 11.6562 -42.6042 -5.85068 HAL2 8124 0 0 0 9.000000e-028128 8126 H42 SLES 1 12.594 -41.789 -7.16235 HAL2 8124 0 0 0 9.000000e-028129 8127 C5 SLES 1 10.3818 -41.7289 -7.46443 CTL2 8124 8128 8129 8130 - 1.800000e-018130 8128 H51 SLES 1 9.50199 -42.4018 -7.2823 HAL2 8127 0 0 0 9.000000e-028131 8129 H52 SLES 1 10.4292 -41.5956 -8.57726 HAL2 8127 0 0 0 9.000000e-028132 8130 C6 SLES 1 10.0214 -40.4199 -6.90757 CTL2 8127 8131 8132 8133 - 1.800000e-018133 8131 H61 SLES 1 8.98647 -40.5329 -6.48447 HAL2 8130 0 0 0 9.000000e-028134 8132 H62 SLES 1 9.91633 -39.7242 -7.78292 HAL2 8130 0 0 0 9.000000e-028135 8133 C7 SLES 1 10.9709 -39.8271 -5.85944 CTL2 8130 8134 8135 8136 - 1.800000e-018136 8134 H71 SLES 1 11.0552 -40.4357 -4.92822 HAL2 8133 0 0 0 9.000000e-028137 8135 H72 SLES 1 11.9963 -39.6169 -6.24294 HAL2 8133 0 0 0 9.000000e-028138 8136 C8 SLES 1 10.2505 -38.5574 -5.58293 CTL2 8133 8137 8138 8139 - 1.800000e-018139 8137 H81 SLES 1 9.22351 -38.8474 -5.22347 HAL2 8136 0 0 0 9.000000e-028140 8138 H82 SLES 1 10.1846 -38.0118 -6.567 HAL2 8136 0 0 0 9.000000e-028141 8139 C9 SLES 1 10.7889 -37.5848 -4.59253 CTL2 8136 8140 8141 8142 - 1.800000e-018142 8140 H91 SLES 1 10.8568 -38.0574 -3.58718 HAL2 8139 0 0 0 9.000000e-028143 8141 H92 SLES 1 11.7992 -37.2372 -4.90513 HAL2 8139 0 0 0 9.000000e-028144 8142 C10 SLES 1 9.72356 -36.4935 -4.67553 CTL2 8139 8143 8144 8145 - 1.800000e-018145 8143 H10 SLES 1 8.71676 -36.9225 -4.42146 HAL2 8142 0 0 0 9.000000e-028146 8144 H10 SLES 1 9.65257 -36.1086 -5.7292 HAL2 8142 0 0 0 9.000000e-028147 8145 C11 SLES 1 9.95042 -35.3179 -3.78173 CTL2 8142 8146 8147 8148 - 1.800000e-018148 8146 H11 SLES 1 9.99852 -35.7006 -2.73568 HAL2 8145 0 0 0 9.000000e-028149 8147 H11 SLES 1 10.9403 -34.882 -4.0511 HAL2 8145 0 0 0 9.000000e-028150 8148 C12 SLES 1 8.81146 -34.3117 -3.96984 CTL3 8145 8149 8150 8151 - 2.700000e-018151 8149 H12 SLES 1 8.26556 -34.1739 -3.01639 HAL3 8148 0 0 0 9.000000e-028152 8150 H12 SLES 1 9.21329 -33.3489 -4.34132 HAL3 8148 0 0 0 9.000000e-028153 8151 H12 SLES 1 8.05942 -34.655 -4.72216 HAL3 8148 0 0 0 9.000000e-028154 8152 NA SLES 1 30.1162 -48.3502 -11.7177 NA 0 0 0 0 1 .000000e+008155 8153 S SLES 1 27.1505 -48.4822 -12.3189 SL 8154 8155 8156 8157 1.33 0000e+008156 8154 OS1 SLES 1 27.3294 -47.2247 -11.5734 OSL 8153 8158 0 0 - 2.800000e-018157 8155 OS2 SLES 1 27.737 -49.2404 -11.2364 O2L 8153 0 0 0 - 6.500000e-018158 8156 OS3 SLES 1 28.08 -48.0465 -13.3355 O2L 8153 0 0 0 - 6.500000e-018159 8157 OS4 SLES 1 25.7493 -48.5964 -12.6115 O2L 8153 0 0 0 - 6.500000e-018160 8158 C2 SLES 1 26.3755 -46.2954 -11.2452 CC32A 8154 8159 8160 8161 - 1.100000e-018161 8159 H2A SLES 1 25.5781 -46.7542 -10.6028 HCA2 8158 0 0 0 9.000000e-028162 8160 H2B SLES 1 25.912 -45.8539 -12.167 HCA2 8158 0 0 0 9.000000e-028163 8161 C1 SLES 1 27.1993 -45.2489 -10.4643 CC32A 8158 8162 8163 8164 - 1.000000e-028164 8162 H1B SLES 1 27.683 -45.71 -9.56449 HCA2 8161 0 0 0 9.000000e-028165 8163 H1A SLES 1 27.9957 -44.806 -11.1114 HCA2 8161 0 0 0 9.000000e-028166 8164 O1 SLES 1 26.5482 -44.1312 -9.9536 OC30A 8161 8165 0 0 - 3.400000e-018167 8165 C2 SLES 1 25.1518 -44.0228 -10.1609 CC32A 8164 8166 8167 8168 - 1.000000e-028168 8166 H2A SLES 1 24.6165 -44.9031 -9.70275 HCA2 8165 0 0 0 9.000000e-028169 8167 H2B SLES 1 24.9055 -43.9875 -11.248 HCA2 8165 0 0 0 9.000000e-028170 8168 C1 SLES 1 25.1981 -42.7532 -9.23513 CC32A 8165 8169 8170 8171 - 1.000000e-028171 8169 H1B SLES 1 24.5157 -43.2384 -8.52484 HCA2 8168 0 0 0 9.000000e-028172 8170 H1A SLES 1 24.8905 -42.2544 -10.2245 HCA2 8168 0 0 0 9.000000e-028173 8171 O1 SLES 1 24.9683 -41.4469 -8.77397 OC30A 8168 8172 0 0 - 3.400000e-018174 8172 C1 SLES 1 23.6233 -41.0089 -8.64392 CTL2 8171 8173 8174 8175 - 1.800000e-018175 8173 H11 SLES 1 22.9214 -41.7163 -8.12029 HAL2 8172 0 0 0 9.000000e-028176 8174 H12 SLES 1 23.1834 -40.7962 -9.65077 HAL2 8172 0 0 0 9.000000e-028177 8175 C2 SLES 1 23.8583 -39.7369 -7.83045 CTL2 8172 8176 8177 8178 - 1.800000e-018178 8176 H21 SLES 1 24.2417 -39.9319 -6.80011 HAL2 8175 0 0 0 9.000000e-028179 8177 H22 SLES 1 24.5381 -39.0106 -8.33919 HAL2 8175 0 0 0 9.000000e-028180 8178 C3 SLES 1 22.5089 -39.1474 -7.74261 CTL2 8175 8179 8180 8181 - 1.800000e-018181 8179 H31 SLES 1 21.8862 -39.9284 -7.22712 HAL2 8178 0 0 0 9.000000e-028182 8180 H32 SLES 1 22.1926 -38.9874 -8.81039 HAL2 8178 0 0 0 9.000000e-028183 8181 C4 SLES 1 22.2708 -37.8578 -7.0261 CTL2 8178 8182 8183 8184 - 1.800000e-018184 8182 H41 SLES 1 22.558 -37.9319 -5.94824 HAL2 8181 0 0 0 9.000000e-028185 8183 H42 SLES 1 22.8555 -37.0248 -7.48226 HAL2 8181 0 0 0 9.000000e-028186 8184 C5 SLES 1 20.7574 -37.7583 -7.26071 CTL2 8181 8185 8186 8187 - 1.800000e-018187 8185 H51 SLES 1 20.2345 -38.66 -6.84412 HAL2 8184 0 0 0 9.000000e-028188 8186 H52 SLES 1 20.529 -37.7627 -8.35897 HAL2 8184 0 0 0 9.000000e-028189 8187 C6 SLES 1 20.0702 -36.5886 -6.70146 CTL2 8184 8188 8189 8190 - 1.800000e-018190 8188 H61 SLES 1 19.2529 -36.9898 -6.04273 HAL2 8187 0 0 0 9.000000e-028191 8189 H62 SLES 1 19.5482 -36.0898 -7.56172 HAL2 8187 0 0 0 9.000000e-028192 8190 C7 SLES 1 20.9328 -35.578 -5.93588 CTL2 8187 8191 8192 8193 - 1.800000e-018193 8191 H71 SLES 1 21.4158 -35.9954 -5.02089 HAL2 8190 0 0 0 9.000000e-028194 8192 H72 SLES 1 21.7144 -35.0842 -6.55882 HAL2 8190 0 0 0 9.000000e-028195 8193 C8 SLES 1 19.8753 -34.6034 -5.56259 CTL2 8190 8194 8195 8196 - 1.800000e-018196 8194 H81 SLES 1 19.1162 -35.1752 -4.95859 HAL2 8193 0 0 0 9.000000e-028197 8195 H82 SLES 1 19.4211 -34.2453 -6.53001 HAL2 8193 0 0 0 9.000000e-028198 8196 C9 SLES 1 20.2151 -33.3858 -4.77589 CTL2 8193 8197 8198 8199 - 1.800000e-018199 8197 H91 SLES 1 20.6491 -33.6724 -3.79192 HAL2 8196 0 0 0 9.000000e-028200 8198 H92 SLES 1 20.9478 -32.76 -5.33336 HAL2 8196 0 0 0 9.000000e-028201 8199 C10 SLES 1 18.8352 -32.7412 -4.66193 CTL2 8196 8200 8201 8202 - 1.800000e-018202 8200 H10 SLES 1 18.1233 -33.4493 -4.15801 HAL2 8199 0 0 0 9.000000e-028203 8201 H10 SLES 1 18.4202 -32.5436 -5.68768 HAL2 8199 0 0 0 9.000000e-028204 8202 C11 SLES 1 18.7987 -31.4527 -3.90631 CTL2 8199 8203 8204 8205 - 1.800000e-018205 8203 H11 SLES 1 19.1905 -31.6571 -2.88271 HAL2 8202 0 0 0 9.000000e-028206 8204 H11 SLES 1 19.4897 -30.7459 -4.42147 HAL2 8202 0 0 0 9.000000e-028207 8205 C12 SLES 1 17.3612 -30.926 -3.87289 CTL3 8202 8206 8207 8208 - 2.700000e-018208 8206 H12 SLES 1 17.0059 -30.8588 -2.82631 HAL3 8205 0 0 0 9.000000e-028209 8207 H12 SLES 1 17.3063 -29.941 -4.37601 HAL3 8205 0 0 0 9.000000e-028210 8208 H12 SLES 1 16.6482 -31.5987 -4.41004 HAL3 8205 0 0 0 9.000000e-028211 8209 NA SLES 1 41.5632 -38.6671 -12.1987 NA 0 0 0 0 1 .000000e+008212 8210 S SLES 1 38.7931 -39.8907 -12.1359 SL 8211 8212 8213 8214 1.33 0000e+008213 8211 OS1 SLES 1 38.6199 -38.5348 -11.5875 OSL 8210 8215 0 0 - 2.800000e-018214 8212 OS2 SLES 1 39.7808 -40.2032 -11.1272 O2L 8210 0 0 0 - 6.500000e-018215 8213 OS3 SLES 1 39.3245 -39.3564 -13.3686 O2L 8210 0 0 0 - 6.500000e-018216 8214 OS4 SLES 1 37.5019 -40.5182 -12.1089 O2L 8210 0 0 0 - 6.500000e-018217 8215 C2 SLES 1 37.4595 -37.9367 -11.1669 CC32A 8211 8216 8217 8218 - 1.100000e-018218 8216 H2A SLES 1 36.9977 -38.5145 -10.3232 HCA2 8215 0 0 0 9.000000e-028219 8217 H2B SLES 1 36.7257 -37.8473 -12.0114 HCA2 8215 0 0 0 9.000000e-028220 8218 C1 SLES 1 37.9604 -36.5535 -10.6985 CC32A 8215 8219 8220 8221 - 1.000000e-028221 8219 H1B SLES 1 38.7165 -36.6581 -9.87766 HCA2 8218 0 0 0 9.000000e-028222 8220 H1A SLES 1 38.4264 -35.9916 -11.5449 HCA2 8218 0 0 0 9.000000e-028223 8221 O1 SLES 1 37.0387 -35.647 -10.1859 OC30A 8218 8222 0 0 - 3.400000e-018224 8222 C2 SLES 1 35.6846 -36.0519 -10.1014 CC32A 8221 8223 8224 8225 - 1.000000e-028225 8223 H2A SLES 1 35.5869 -36.9646 -9.44645 HCA2 8222 0 0 0 9.000000e-028226 8224 H2B SLES 1 35.2712 -36.2949 -11.1082 HCA2 8222 0 0 0 9.000000e-028227 8225 C1 SLES 1 35.4143 -34.6974 -9.35098 CC32A 8222 8226 8227 8228 - 1.000000e-028228 8226 H1B SLES 1 35.0784 -35.249 -8.46297 HCA2 8225 0 0 0 9.000000e-028229 8227 H1A SLES 1 34.7918 -34.5148 -10.3005 HCA2 8225 0 0 0 9.000000e-028230 8228 O1 SLES 1 34.8026 -33.484 -8.99682 OC30A 8225 8229 0 0 - 3.400000e-018231 8229 C1 SLES 1 33.43 -33.5067 -8.63171 CTL2 8228 8230 8231 8232 - 1.800000e-018232 8230 H11 SLES 1 33.1272 -34.3037 -7.89655 HAL2 8229 0 0 0 9.000000e-028233 8231 H12 SLES 1 32.7874 -33.6363 -9.53874 HAL2 8229 0 0 0 9.000000e-028234 8232 C2 SLES 1 33.314 -32.1066 -8.03081 CTL2 8229 8233 8234 8235 - 1.800000e-018235 8233 H21 SLES 1 33.9021 -31.9754 -7.09086 HAL2 8232 0 0 0 9.000000e-028236 8234 H22 SLES 1 33.5921 -31.297 -8.74887 HAL2 8232 0 0 0 9.000000e-028237 8235 C3 SLES 1 31.8755 -31.9982 -7.72228 CTL2 8232 8236 8237 8238 - 1.800000e-018238 8236 H31 SLES 1 31.6708 -32.838 -7.00386 HAL2 8235 0 0 0 9.000000e-028239 8237 H32 SLES 1 31.3556 -32.1459 -8.70905 HAL2 8235 0 0 0 9.000000e-028240 8238 C4 SLES 1 31.3033 -30.7577 -7.11659 CTL2 8235 8239 8240 8241 - 1.800000e-018241 8239 H41 SLES 1 31.7668 -30.5385 -6.1232 HAL2 8238 0 0 0 9.000000e-028242 8240 H42 SLES 1 31.4639 -29.8719 -7.77499 HAL2 8238 0 0 0 9.000000e-028243 8241 C5 SLES 1 29.8407 -31.2149 -7.03273 CTL2 8238 8242 8243 8244 - 1.800000e-018244 8242 H51 SLES 1 29.7555 -32.1505 -6.41842 HAL2 8241 0 0 0 9.000000e-028245 8243 H52 SLES 1 29.4563 -31.4906 -8.04988 HAL2 8241 0 0 0 9.000000e-028246 8244 C6 SLES 1 28.8747 -30.2638 -6.47095 CTL2 8241 8245 8246 8247 - 1.800000e-018247 8245 H61 SLES 1 28.3763 -30.7921 -5.61342 HAL2 8244 0 0 0 9.000000e-028248 8246 H62 SLES 1 28.0763 -30.1302 -7.24937 HAL2 8244 0 0 0 9.000000e-028249 8247 C7 SLES 1 29.4219 -28.9035 -6.02174 CTL2 8244 8248 8249 8250 - 1.800000e-018250 8248 H71 SLES 1 30.1637 -28.9652 -5.19074 HAL2 8247 0 0 0 9.000000e-028251 8249 H72 SLES 1 29.8596 -28.2952 -6.847 HAL2 8247 0 0 0 9.000000e-028252 8250 C8 SLES 1 28.1571 -28.2902 -5.5403 CTL2 8247 8251 8252 8253 - 1.800000e-018253 8251 H81 SLES 1 27.7653 -28.9666 -4.72969 HAL2 8250 0 0 0 9.000000e-028254 8252 H82 SLES 1 27.4548 -28.2831 -6.42186 HAL2 8250 0 0 0 9.000000e-028255 8253 C9 SLES 1 28.1527 -26.9101 -4.98175 CTL2 8250 8254 8255 8256 - 1.800000e-018256 8254 H91 SLES 1 28.8131 -26.8549 -4.08761 HAL2 8253 0 0 0 9.000000e-028257 8255 H92 SLES 1 28.508 -26.1844 -5.74744 HAL2 8253 0 0 0 9.000000e-028258 8256 C10 SLES 1 26.6704 -26.7562 -4.64739 CTL2 8253 8257 8258 8259 - 1.800000e-018259 8257 H10 SLES 1 26.3554 -27.5607 -3.92914 HAL2 8256 0 0 0 9.000000e-028260 8258 H10 SLES 1 26.053 -26.8948 -5.57643 HAL2 8256 0 0 0 9.000000e-028261 8259 C11 SLES 1 26.2899 -25.4422 -4.04658 CTL2 8256 8260 8261 8262 - 1.800000e-018262 8260 H11 SLES 1 26.8881 -25.318 -3.11395 HAL2 8259 0 0 0 9.000000e-028263 8261 H11 SLES 1 26.5844 -24.648 -4.77115 HAL2 8259 0 0 0 9.000000e-028264 8262 C12 SLES 1 24.7847 -25.4311 -3.76527 CTL3 8259 8263 8264 8265 - 2.700000e-018265 8263 H12 SLES 1 24.6022 -25.3021 -2.68075 HAL3 8262 0 0 0 9.000000e-028266 8264 H12 SLES 1 24.2955 -24.6275 -4.34955 HAL3 8262 0 0 0 9.000000e-028267 8265 H12 SLES 1 24.2887 -26.388 -4.06144 HAL3 8262 0 0 0 9.000000e-028268 8266 NA SLES 1 49.977 -26.4872 -12.6971 NA 0 0 0 0 1 .000000e+008269 8267 S SLES 1 47.8657 -28.5257 -11.9478 SL 8268 8269 8270 8271 1.33 0000e+008270 8268 OS1 SLES 1 47.2725 -27.2227 -11.6022 OSL 8267 8272 0 0 - 2.800000e-018271 8269 OS2 SLES 1 49.0032 -28.2663 -11.0936 O2L 8267 0 0 0 - 6.500000e-018272 8270 OS3 SLES 1 48.0286 -28.1199 -13.3247 O2L 8267 0 0 0 - 6.500000e-018273 8271 OS4 SLES 1 46.9021 -29.5289 -11.5915 O2L 8267 0 0 0 - 6.500000e-018274 8272 C2 SLES 1 46.0274 -26.9735 -11.0838 CC32A 8268 8273 8274 8275 - 1.100000e-018275 8273 H2A SLES 1 45.9022 -27.4787 -10.0898 HCA2 8272 0 0 0 9.000000e-028276 8274 H2B SLES 1 45.2238 -27.3175 -11.7877 HCA2 8272 0 0 0 9.000000e-028277 8275 C1 SLES 1 46.0392 -25.4363 -10.9401 CC32A 8272 8276 8277 8278 - 1.000000e-028278 8276 H1B SLES 1 46.8662 -25.1038 -10.2606 HCA2 8275 0 0 0 9.000000e-028279 8277 H1A SLES 1 46.1737 -24.9447 -11.9348 HCA2 8275 0 0 0 9.000000e-028280 8278 O1 SLES 1 44.9129 -24.8043 -10.4242 OC30A 8275 8279 0 0 - 3.400000e-018281 8279 C2 SLES 1 43.8164 -25.6121 -10.0367 CC32A 8278 8280 8281 8282 - 1.000000e-028282 8280 H2A SLES 1 44.1293 -26.3428 -9.23687 HCA2 8279 0 0 0 9.000000e-028283 8281 H2B SLES 1 43.4125 -26.1882 -10.9018 HCA2 8279 0 0 0 9.000000e-028284 8282 C1 SLES 1 43.1559 -24.2998 -9.47755 CC32A 8279 8283 8284 8285 - 1.000000e-028285 8283 H1B SLES 1 43.1426 -24.7294 -8.46715 HCA2 8282 0 0 0 9.000000e-028286 8284 H1A SLES 1 42.41 -24.5433 -10.3182 HCA2 8282 0 0 0 9.000000e-028287 8285 O1 SLES 1 42.1876 -23.316 -9.21989 OC30A 8282 8286 0 0 - 3.400000e-018288 8286 C1 SLES 1 40.9658 -23.7194 -8.61797 CTL2 8285 8287 8288 8289 - 1.800000e-018289 8287 H11 SLES 1 41.0555 -24.3956 -7.72245 HAL2 8286 0 0 0 9.000000e-028290 8288 H12 SLES 1 40.3193 -24.2472 -9.36368 HAL2 8286 0 0 0 9.000000e-028291 8289 C2 SLES 1 40.4151 -22.3454 -8.23876 CTL2 8286 8290 8291 8292 - 1.800000e-018292 8290 H21 SLES 1 41.0141 -21.8275 -7.45165 HAL2 8289 0 0 0 9.000000e-028293 8291 H22 SLES 1 40.2998 -21.6622 -9.11531 HAL2 8289 0 0 0 9.000000e-028294 8292 C3 SLES 1 39.0785 -22.6626 -7.70112 CTL2 8289 8293 8294 8295 - 1.800000e-018295 8293 H31 SLES 1 39.2727 -23.3489 -6.83239 HAL2 8292 0 0 0 9.000000e-028296 8294 H32 SLES 1 38.5435 -23.1828 -8.54316 HAL2 8292 0 0 0 9.000000e-028297 8295 C4 SLES 1 38.1643 -21.5871 -7.2106 CTL2 8292 8296 8297 8298 - 1.800000e-018298 8296 H41 SLES 1 38.6219 -21.0188 -6.36364 HAL2 8295 0 0 0 9.000000e-028299 8297 H42 SLES 1 37.919 -20.8607 -8.0206 HAL2 8295 0 0 0 9.000000e-028300 8298 C5 SLES 1 36.9865 -22.4793 -6.79603 CTL2 8295 8299 8300 8301 - 1.800000e-018301 8299 H51 SLES 1 37.3147 -23.2355 -6.03422 HAL2 8298 0 0 0 9.000000e-028302 8300 H52 SLES 1 36.62 -23.078 -7.67105 HAL2 8298 0 0 0 9.000000e-028303 8301 C6 SLES 1 35.8083 -21.8108 -6.23172 CTL2 8298 8302 8303 8304 - 1.800000e-018304 8302 H61 SLES 1 35.6328 -22.2801 -5.22579 HAL2 8301 0 0 0 9.000000e-028305 8303 H62 SLES 1 34.9361 -22.1219 -6.86715 HAL2 8301 0 0 0 9.000000e-028306 8304 C7 SLES 1 35.8692 -20.2833 -6.11117 CTL2 8301 8305 8306 8307 - 1.800000e-018307 8305 H71 SLES 1 36.6685 -19.914 -5.42618 HAL2 8304 0 0 0 9.000000e-028308 8306 H72 SLES 1 35.963 -19.7541 -7.08785 HAL2 8304 0 0 0 9.000000e-028309 8307 C8 SLES 1 34.5286 -20.0421 -5.5176 CTL2 8304 8308 8309 8310 - 1.800000e-018310 8308 H81 SLES 1 34.5004 -20.6214 -4.55236 HAL2 8307 0 0 0 9.000000e-028311 8309 H82 SLES 1 33.7801 -20.459 -6.24992 HAL2 8307 0 0 0 9.000000e-028312 8310 C9 SLES 1 34.0838 -18.658 -5.1961 CTL2 8307 8311 8312 8313 - 1.800000e-018313 8311 H91 SLES 1 34.7724 -18.1954 -4.4541 HAL2 8310 0 0 0 9.000000e-028314 8312 H92 SLES 1 34.0653 -18.0361 -6.11915 HAL2 8310 0 0 0 9.000000e-028315 8313 C10 SLES 1 32.693 -18.9427 -4.6329 CTL2 8310 8314 8315 8316 - 1.800000e-018316 8314 H10 SLES 1 32.7723 -19.6335 -3.75043 HAL2 8313 0 0 0 9.000000e-028317 8315 H10 SLES 1 32.0708 -19.4749 -5.40304 HAL2 8313 0 0 0 9.000000e-028318 8316 C11 SLES 1 31.9289 -17.7365 -4.19298 CTL2 8313 8317 8318 8319 - 1.800000e-018319 8317 H11 SLES 1 32.539 -17.2232 -3.41365 HAL2 8316 0 0 0 9.000000e-028320 8318 H11 SLES 1 31.8336 -17.0633 -5.07629 HAL2 8316 0 0 0 9.000000e-028321 8319 C12 SLES 1 30.5629 -18.1712 -3.65431 CTL3 8316 8320 8321 8322 - 2.700000e-018322 8320 H12 SLES 1 30.4656 -17.8829 -2.58963 HAL3 8319 0 0 0 9.000000e-028323 8321 H12 SLES 1 29.7545 -17.7223 -4.26373 HAL3 8319 0 0 0 9.000000e-028324 8322 H12 SLES 1 30.4195 -19.2788 -3.70013 HAL3 8319 0 0 0 9.000000e-028325 8323 NA SLES 1 54.901 -12.7311 -13.179 NA 0 0 0 0 1 .000000e+008326 8324 S SLES 1 53.7049 -15.129 -11.7672 SL 8325 8326 8327 8328 1.33 0000e+008327 8325 OS1 SLES 1 52.7008 -14.0621 -11.6165 OSL 8324 8329 0 0 - 2.800000e-018328 8326 OS2 SLES 1 54.7143 -14.307 -11.1379 O2L 8324 0 0 0 - 6.500000e-018329 8327 OS3 SLES 1 53.6414 -15.0263 -13.2068 O2L 8324 0 0 0 - 6.500000e-018330 8328 OS4 SLES 1 53.1858 -16.2865 -11.0943 O2L 8324 0 0 0 - 6.500000e-018331 8329 C2 SLES 1 51.4771 -14.1359 -11.0015 CC32A 8325 8330 8331 8332 - 1.100000e-018332 8330 H2A SLES 1 51.5922 -14.4061 -9.91854 HCA2 8329 0 0 0 9.000000e-028333 8331 H2B SLES 1 50.8168 -14.8867 -11.5113 HCA2 8329 0 0 0 9.000000e-028334 8332 C1 SLES 1 50.9424 -12.6977 -11.1725 CC32A 8329 8333 8334 8335 - 1.000000e-028335 8333 H1B SLES 1 51.6275 -11.9551 -10.6871 HCA2 8332 0 0 0 9.000000e-028336 8334 H1A SLES 1 50.8409 -12.4371 -12.2546 HCA2 8332 0 0 0 9.000000e-028337 8335 O1 SLES 1 49.6916 -12.3831 -10.6523 OC30A 8332 8336 0 0 - 3.400000e-018338 8336 C2 SLES 1 48.9801 -13.4002 -9.9711 CC32A 8335 8337 8338 8339 - 1.000000e-028339 8337 H2A SLES 1 49.5746 -13.7727 -9.08831 HCA2 8336 0 0 0 9.000000e-028340 8338 H2B SLES 1 48.7675 -14.2647 -10.6427 HCA2 8336 0 0 0 9.000000e-028341 8339 C1 SLES 1 47.9207 -12.2977 -9.60622 CC32A 8336 8340 8341 8342 - 1.000000e-028342 8340 H1B SLES 1 48.1136 -12.4571 -8.5371 HCA2 8339 0 0 0 9.000000e-028343 8341 H1A SLES 1 47.2711 -12.9693 -10.2765 HCA2 8339 0 0 0 9.000000e-028344 8342 O1 SLES 1 46.6776 -11.6694 -9.42798 OC30A 8339 8343 0 0 - 3.400000e-018345 8343 C1 SLES 1 45.7145 -12.3104 -8.60364 CTL2 8342 8344 8345 8346 - 1.800000e-018346 8344 H11 SLES 1 46.0864 -12.6865 -7.60987 HAL2 8343 0 0 0 9.000000e-028347 8345 H12 SLES 1 45.2646 -13.1851 -9.13751 HAL2 8343 0 0 0 9.000000e-028348 8346 C2 SLES 1 44.7263 -11.1565 -8.44012 CTL2 8343 8347 8348 8349 - 1.800000e-018349 8347 H21 SLES 1 45.1376 -10.2972 -7.85791 HAL2 8346 0 0 0 9.000000e-028350 8348 H22 SLES 1 44.3291 -10.7784 -9.41354 HAL2 8346 0 0 0 9.000000e-028351 8349 C3 SLES 1 43.6221 -11.773 -7.68058 CTL2 8346 8350 8351 8352 - 1.800000e-018352 8350 H31 SLES 1 44.0936 -12.1291 -6.7244 HAL2 8349 0 0 0 9.000000e-028353 8351 H32 SLES 1 43.2685 -12.6255 -8.324 HAL2 8349 0 0 0 9.000000e-028354 8352 C4 SLES 1 42.4081 -10.9883 -7.30174 CTL2 8349 8353 8354 8355 - 1.800000e-018355 8353 H41 SLES 1 42.6725 -10.117 -6.65316 HAL2 8352 0 0 0 9.000000e-028356 8354 H42 SLES 1 41.8776 -10.5993 -8.20234 HAL2 8352 0 0 0 9.000000e-028357 8355 C5 SLES 1 41.6525 -12.1036 -6.56674 CTL2 8352 8356 8357 8358 - 1.800000e-018358 8356 H51 SLES 1 42.2686 -12.503 -5.7177 HAL2 8355 0 0 0 9.000000e-028359 8357 H52 SLES 1 41.4824 -12.9783 -7.24829 HAL2 8355 0 0 0 9.000000e-028360 8358 C6 SLES 1 40.3427 -11.762 -6.0001 CTL2 8355 8359 8360 8361 - 1.800000e-018361 8359 H61 SLES 1 40.3985 -12.0136 -4.90627 HAL2 8358 0 0 0 9.000000e-028362 8360 H62 SLES 1 39.61 -12.49 -6.44112 HAL2 8358 0 0 0 9.000000e-028363 8361 C7 SLES 1 39.856 -10.3214 -6.19808 CTL2 8358 8362 8363 8364 - 1.800000e-018364 8362 H71 SLES 1 40.5023 -9.55345 -5.71117 HAL2 8361 0 0 0 9.000000e-028365 8363 H72 SLES 1 39.7039 -10.036 -7.26493 HAL2 8361 0 0 0 9.000000e-028366 8364 C8 SLES 1 38.55 -10.4173 -5.49601 CTL2 8361 8365 8366 8367 - 1.800000e-018367 8365 H81 SLES 1 38.7806 -10.7288 -4.4387 HAL2 8364 0 0 0 9.000000e-028368 8366 H82 SLES 1 37.9657 -11.2224 -6.02591 HAL2 8364 0 0 0 9.000000e-028369 8367 C9 SLES 1 37.6539 -9.23183 -5.40431 CTL2 8364 8368 8369 8370 - 1.800000e-018370 8368 H91 SLES 1 38.1663 -8.40309 -4.86642 HAL2 8367 0 0 0 9.000000e-028371 8369 H92 SLES 1 37.3665 -8.88751 -6.42315 HAL2 8367 0 0 0 9.000000e-028372 8370 C10 SLES 1 36.4887 -9.83111 -4.61946 CTL2 8367 8371 8372 8373 - 1.800000e-018373 8371 H10 SLES 1 36.8555 -10.227 -3.63408 HAL2 8370 0 0 0 9.000000e-028374 8372 H10 SLES 1 36.0618 -10.7073 -5.17932 HAL2 8370 0 0 0 9.000000e-028375 8373 C11 SLES 1 35.365 -8.88819 -4.33553 CTL2 8370 8374 8375 8376 - 1.800000e-018376 8374 H11 SLES 1 35.788 -8.03115 -3.76138 HAL2 8373 0 0 0 9.000000e-028377 8375 H11 SLES 1 34.9897 -8.51394 -5.31611 HAL2 8373 0 0 0 9.000000e-028378 8376 C12 SLES 1 34.2758 -9.62142 -3.54757 CTL3 8373 8377 8378 8379 - 2.700000e-018379 8377 H12 SLES 1 34.1349 -9.14256 -2.55916 HAL3 8376 0 0 0 9.000000e-028380 8378 H12 SLES 1 33.3305 -9.62932 -4.12442 HAL3 8376 0 0 0 9.000000e-028381 8379 H12 SLES 1 34.5383 -10.69 -3.35072 HAL3 8376 0 0 0 9.000000e-028382 8380 NA SLES 1 47.8631 1.64418 -27.3046 NA 0 0 0 0 1 .000000e+008383 8381 S SLES 1 48.1029 -0.607557 -25.2931 SL 8382 8383 8384 8385 1.33 0000e+008384 8382 OS1 SLES 1 46.8239 0.0495181 -24.9742 OSL 8381 8386 0 0 - 2.800000e-018385 8383 OS2 SLES 1 48.8176 0.637759 -25.1228 O2L 8381 0 0 0 - 6.500000e-018386 8384 OS3 SLES 1 47.6607 -0.880562 -26.6411 O2L 8381 0 0 0 - 6.500000e-018387 8385 OS4 SLES 1 48.2682 -1.67631 -24.3484 O2L 8381 0 0 0 - 6.500000e-018388 8386 C2 SLES 1 45.9184 -0.293442 -24.0028 CC32A 8382 8387 8388 8389 - 1.100000e-018389 8387 H2A SLES 1 46.3878 -0.239842 -22.9851 HCA2 8386 0 0 0 9.000000e-028390 8388 H2B SLES 1 45.5126 -1.32482 -24.1791 HCA2 8386 0 0 0 9.000000e-028391 8389 C1 SLES 1 44.829 0.785828 -24.1813 CC32A 8386 8390 8391 8392 - 1.000000e-028392 8390 H1B SLES 1 45.2542 1.81251 -24.0347 HCA2 8389 0 0 0 9.000000e-028393 8391 H1A SLES 1 44.3756 0.728524 -25.2013 HCA2 8389 0 0 0 9.000000e-028394 8392 O1 SLES 1 43.7214 0.763312 -23.3407 OC30A 8389 8393 0 0 - 3.400000e-018395 8393 C2 SLES 1 43.6622 -0.242648 -22.346 CC32A 8392 8394 8395 8396 - 1.000000e-028396 8394 H2A SLES 1 44.5486 -0.164001 -21.6536 HCA2 8393 0 0 0 9.000000e-028397 8395 H2B SLES 1 43.6591 -1.26114 -22.8001 HCA2 8393 0 0 0 9.000000e-028398 8396 C1 SLES 1 42.3714 0.478817 -21.8128 CC32A 8393 8397 8398 8399 - 1.000000e-028399 8397 H1B SLES 1 42.862 0.65649 -20.8467 HCA2 8396 0 0 0 9.000000e-028400 8398 H1A SLES 1 41.9049 -0.515444 -22.1536 HCA2 8396 0 0 0 9.000000e-028401 8399 O1 SLES 1 41.0631 0.661847 -21.3367 OC30A 8396 8400 0 0 - 3.400000e-018402 8400 C1 SLES 1 40.6653 -0.0556061 -20.1769 CTL2 8399 8401 8402 8403 - 1.800000e-018403 8401 H11 SLES 1 41.3828 -0.0306716 -19.3099 HAL2 8400 0 0 0 9.000000e-028404 8402 H12 SLES 1 40.4893 -1.13244 -20.4259 HAL2 8400 0 0 0 9.000000e-028405 8403 C2 SLES 1 39.3685 0.688909 -19.8621 CTL2 8400 8404 8405 8406 - 1.800000e-018406 8404 H21 SLES 1 39.5281 1.75006 -19.5537 HAL2 8403 0 0 0 9.000000e-028407 8405 H22 SLES 1 38.6326 0.661981 -20.7023 HAL2 8403 0 0 0 9.000000e-028408 8406 C3 SLES 1 38.8205 -0.0705721 -18.7223 CTL2 8403 8407 8408 8409 - 1.800000e-018409 8407 H31 SLES 1 39.6092 -0.00200562 -17.9244 HAL2 8406 0 0 0 9.000000e-028410 8408 H32 SLES 1 38.6946 -1.1202 -19.1073 HAL2 8406 0 0 0 9.000000e-028411 8409 C4 SLES 1 37.5235 0.312422 -18.0867 CTL2 8406 8410 8411 8412 - 1.800000e-018412 8410 H41 SLES 1 37.5642 1.34952 -17.6713 HAL2 8409 0 0 0 9.000000e-028413 8411 H42 SLES 1 36.6827 0.266707 -18.818 HAL2 8409 0 0 0 9.000000e-028414 8412 C5 SLES 1 37.4775 -0.785032 -17.015 CTL2 8409 8413 8414 8415 - 1.800000e-018415 8413 H51 SLES 1 38.3858 -0.731426 -16.3576 HAL2 8412 0 0 0 9.000000e-028416 8414 H52 SLES 1 37.5137 -1.8004 -17.4905 HAL2 8412 0 0 0 9.000000e-028417 8415 C6 SLES 1 36.318 -0.792326 -16.1156 CTL2 8412 8416 8417 8418 - 1.800000e-018418 8416 H61 SLES 1 36.7302 -0.739757 -15.0715 HAL2 8415 0 0 0 9.000000e-028419 8417 H62 SLES 1 35.8555 -1.81162 -16.2075 HAL2 8415 0 0 0 9.000000e-028420 8418 C7 SLES 1 35.2636 0.29928 -16.3348 CTL2 8415 8419 8420 8421 - 1.800000e-018421 8419 H71 SLES 1 35.6447 1.33595 -16.1779 HAL2 8418 0 0 0 9.000000e-028422 8420 H72 SLES 1 34.7592 0.250531 -17.3278 HAL2 8418 0 0 0 9.000000e-028423 8421 C8 SLES 1 34.315 -0.0712677 -15.253 CTL2 8418 8422 8423 8424 - 1.800000e-018424 8422 H81 SLES 1 34.897 -0.0213796 -14.2902 HAL2 8421 0 0 0 9.000000e-028425 8423 H82 SLES 1 33.9934 -1.13052 -15.465 HAL2 8421 0 0 0 9.000000e-028426 8424 C9 SLES 1 33.0699 0.716524 -15.0386 CTL2 8421 8425 8426 8427 - 1.800000e-018427 8425 H91 SLES 1 33.3205 1.77424 -14.7995 HAL2 8424 0 0 0 9.000000e-028428 8426 H92 SLES 1 32.4338 0.685989 -15.9516 HAL2 8424 0 0 0 9.000000e-028429 8427 C10 SLES 1 32.4672 -0.0423176 -13.8581 CTL2 8424 8428 8429 8430 - 1.800000e-018430 8428 H10 SLES 1 33.1862 -0.0391775 -12.9948 HAL2 8427 0 0 0 9.000000e-028431 8429 H10 SLES 1 32.3059 -1.11881 -14.1385 HAL2 8427 0 0 0 9.000000e-028432 8430 C11 SLES 1 31.1639 0.492708 -13.3604 CTL2 8427 8431 8432 8433 - 1.800000e-018433 8431 H11 SLES 1 31.3327 1.55386 -13.0629 HAL2 8430 0 0 0 9.000000e-028434 8432 H11 SLES 1 30.4472 0.468091 -14.2137 HAL2 8430 0 0 0 9.000000e-028435 8433 C12 SLES 1 30.6827 -0.360704 -12.1835 CTL3 8430 8434 8435 8436 - 2.700000e-018436 8434 H12 SLES 1 30.6033 0.261463 -11.271 HAL3 8433 0 0 0 9.000000e-028437 8435 H12 SLES 1 29.7114 -0.832578 -12.4293 HAL3 8433 0 0 0 9.000000e-028438 8436 H12 SLES 1 31.3896 -1.19245 -11.943 HAL3 8433 0 0 0 9.000000e-028439 8437 NA SLES 1 44.8982 15.8257 -27.6591 NA 0 0 0 0 1 .000000e+008440 8438 S SLES 1 45.9752 14.4899 -25.1631 SL 8439 8440 8441 8442 1.33 0000e+008441 8439 OS1 SLES 1 44.5132 14.5011 -24.9849 OSL 8438 8443 0 0 - 2.800000e-018442 8440 OS2 SLES 1 45.9955 15.9271 -25.3203 O2L 8438 0 0 0 - 6.500000e-018443 8441 OS3 SLES 1 45.8494 13.7411 -26.3923 O2L 8438 0 0 0 - 6.500000e-018444 8442 OS4 SLES 1 46.5324 13.8784 -23.9895 O2L 8438 0 0 0 - 6.500000e-018445 8443 C2 SLES 1 43.787 13.9935 -23.938 CC32A 8439 8444 8445 8446 - 1.100000e-018446 8444 H2A SLES 1 44.0727 14.4952 -22.9758 HCA2 8443 0 0 0 9.000000e-028447 8445 H2B SLES 1 43.9366 12.885 -23.8464 HCA2 8443 0 0 0 9.000000e-028448 8446 C1 SLES 1 42.3403 14.3412 -24.3499 CC32A 8443 8447 8448 8449 - 1.000000e-028449 8447 H1B SLES 1 42.2128 15.4484 -24.4695 HCA2 8446 0 0 0 9.000000e-028450 8448 H1A SLES 1 42.0705 13.8437 -25.3137 HCA2 8446 0 0 0 9.000000e-028451 8449 O1 SLES 1 41.2984 13.9778 -23.5034 OC30A 8446 8450 0 0 - 3.400000e-018452 8450 C2 SLES 1 41.6245 13.3225 -22.2913 CC32A 8449 8451 8452 8453 - 1.000000e-028453 8451 H2A SLES 1 42.2955 13.973 -21.6605 HCA2 8450 0 0 0 9.000000e-028454 8452 H2B SLES 1 42.1479 12.3564 -22.4817 HCA2 8450 0 0 0 9.000000e-028455 8453 C1 SLES 1 40.1007 13.431 -21.9209 CC32A 8450 8454 8455 8456 - 1.000000e-028456 8454 H1B SLES 1 40.3514 14.0362 -21.0398 HCA2 8453 0 0 0 9.000000e-028457 8455 H1A SLES 1 40.1957 12.2874 -21.9965 HCA2 8453 0 0 0 9.000000e-028458 8456 O1 SLES 1 38.8217 13.0624 -21.4734 OC30A 8453 8457 0 0 - 3.400000e-018459 8457 C1 SLES 1 38.6986 12.5252 -20.1641 CTL2 8456 8458 8459 8460 - 1.800000e-018460 8458 H11 SLES 1 39.23 13.0882 -19.3469 HAL2 8457 0 0 0 9.000000e-028461 8459 H12 SLES 1 39.0782 11.4727 -20.1372 HAL2 8457 0 0 0 9.000000e-028462 8460 C2 SLES 1 37.1802 12.601 -20.0109 CTL2 8457 8461 8462 8463 - 1.800000e-018463 8461 H21 SLES 1 36.7879 13.6458 -19.9758 HAL2 8460 0 0 0 9.000000e-028464 8462 H22 SLES 1 36.631 12.0335 -20.8012 HAL2 8460 0 0 0 9.000000e-028465 8463 C3 SLES 1 36.9474 11.9513 -18.707 CTL2 8460 8464 8465 8466 - 1.800000e-018466 8464 H31 SLES 1 37.5272 12.57 -17.9692 HAL2 8463 0 0 0 9.000000e-028467 8465 H32 SLES 1 37.3713 10.9153 -18.8199 HAL2 8463 0 0 0 9.000000e-028468 8466 C4 SLES 1 35.5681 11.7934 -18.1542 CTL2 8463 8467 8468 8469 - 1.800000e-018469 8467 H41 SLES 1 35.0726 12.7847 -18.0069 HAL2 8466 0 0 0 9.000000e-028470 8468 H42 SLES 1 34.9253 11.184 -18.832 HAL2 8466 0 0 0 9.000000e-028471 8469 C5 SLES 1 35.9414 11.0845 -16.8454 CTL2 8466 8470 8471 8472 - 1.800000e-018472 8470 H51 SLES 1 36.6469 11.7164 -16.2429 HAL2 8469 0 0 0 9.000000e-028473 8471 H52 SLES 1 36.4999 10.1352 -17.0582 HAL2 8469 0 0 0 9.000000e-028474 8472 C6 SLES 1 34.8412 10.7222 -15.9445 CTL2 8469 8473 8474 8475 - 1.800000e-018475 8473 H61 SLES 1 35.0747 11.2013 -14.9552 HAL2 8472 0 0 0 9.000000e-028476 8474 H62 SLES 1 34.9271 9.61563 -15.7727 HAL2 8472 0 0 0 9.000000e-028477 8475 C7 SLES 1 33.4233 11.088 -16.3997 CTL2 8472 8476 8477 8478 - 1.800000e-018478 8476 H71 SLES 1 33.2515 12.1847 -16.5107 HAL2 8475 0 0 0 9.000000e-028479 8477 H72 SLES 1 33.1022 10.5792 -17.3382 HAL2 8475 0 0 0 9.000000e-028480 8478 C8 SLES 1 32.6616 10.5612 -15.2379 CTL2 8475 8479 8480 8481 - 1.800000e-018481 8479 H81 SLES 1 33.0531 11.1016 -14.3308 HAL2 8478 0 0 0 9.000000e-028482 8480 H82 SLES 1 32.9015 9.46163 -15.1761 HAL2 8478 0 0 0 9.000000e-028483 8481 C9 SLES 1 31.1777 10.6758 -15.1938 CTL2 8478 8482 8483 8484 - 1.800000e-018484 8482 H91 SLES 1 30.8736 11.7459 -15.2274 HAL2 8481 0 0 0 9.000000e-028485 8483 H92 SLES 1 30.7248 10.137 -16.0562 HAL2 8481 0 0 0 9.000000e-028486 8484 C10 SLES 1 30.8928 10.0095 -13.8494 CTL2 8481 8485 8486 8487 - 1.800000e-018487 8485 H10 SLES 1 31.4361 10.5539 -13.0305 HAL2 8484 0 0 0 9.000000e-028488 8486 H10 SLES 1 31.288 8.95725 -13.8534 HAL2 8484 0 0 0 9.000000e-028489 8487 C11 SLES 1 29.4497 9.94613 -13.4674 CTL2 8484 8488 8489 8490 - 1.800000e-018490 8488 H11 SLES 1 29.0665 10.9929 -13.4432 HAL2 8487 0 0 0 9.000000e-028491 8489 H11 SLES 1 28.9175 9.38687 -14.2715 HAL2 8487 0 0 0 9.000000e-028492 8490 C12 SLES 1 29.3161 9.25751 -12.1062 CTL3 8487 8491 8492 8493 - 2.700000e-018493 8491 H12 SLES 1 28.8628 9.95193 -11.3724 HAL3 8490 0 0 0 9.000000e-028494 8492 H12 SLES 1 28.7128 8.33415 -12.2057 HAL3 8490 0 0 0 9.000000e-028495 8493 H12 SLES 1 30.3048 8.94883 -11.6859 HAL3 8490 0 0 0 9.000000e-028496 8494 NA SLES 1 38.0145 28.3538 -27.8817 NA 0 0 0 0 1 .000000e+008497 8495 S SLES 1 39.1655 28.2038 -25.084 SL 8496 8497 8498 8499 1.33 0000e+008498 8496 OS1 SLES 1 37.8591 27.5299 -24.9919 OSL 8495 8500 0 0 - 2.800000e-018499 8497 OS2 SLES 1 38.5404 29.4093 -25.5808 O2L 8495 0 0 0 - 6.500000e-018500 8498 OS3 SLES 1 39.605 27.2775 -26.1019 O2L 8495 0 0 0 - 6.500000e-018501 8499 OS4 SLES 1 39.7432 28.1724 -23.7698 O2L 8495 0 0 0 - 6.500000e-018502 8500 C2 SLES 1 37.2925 26.9347 -23.8938 CC32A 8496 8501 8502 8503 - 1.100000e-018503 8501 H2A SLES 1 37.1507 27.6795 -23.0667 HCA2 8500 0 0 0 9.000000e-028504 8502 H2B SLES 1 37.9233 26.0804 -23.5305 HCA2 8500 0 0 0 9.000000e-028505 8503 C1 SLES 1 35.9392 26.446 -24.4537 CC32A 8500 8504 8505 8506 - 1.000000e-028506 8504 H1B SLES 1 35.3329 27.3047 -24.8426 HCA2 8503 0 0 0 9.000000e-028507 8505 H1A SLES 1 36.0933 25.7121 -25.2825 HCA2 8503 0 0 0 9.000000e-028508 8506 O1 SLES 1 35.0636 25.7819 -23.6014 OC30A 8503 8507 0 0 - 3.400000e-018509 8507 C2 SLES 1 35.4543 25.607 -22.2517 CC32A 8506 8508 8509 8510 - 1.000000e-028510 8508 H2A SLES 1 35.6326 26.6064 -21.761 HCA2 8507 0 0 0 9.000000e-028511 8509 H2B SLES 1 36.3901 25.0053 -22.176 HCA2 8507 0 0 0 9.000000e-028512 8510 C1 SLES 1 34.0175 25.021 -22 CC32A 8507 8511 8512 8513 - 1.000000e-028513 8511 H1B SLES 1 33.8104 25.822 -21.2782 HCA2 8510 0 0 0 9.000000e-028514 8512 H1A SLES 1 34.6444 24.0794 -21.7932 HCA2 8510 0 0 0 9.000000e-028515 8513 O1 SLES 1 33.0031 24.1628 -21.5458 OC30A 8510 8514 0 0 - 3.400000e-018516 8514 C1 SLES 1 32.9322 23.8863 -20.1542 CTL2 8513 8515 8516 8517 - 1.800000e-018517 8515 H11 SLES 1 32.9992 24.7772 -19.4692 HAL2 8514 0 0 0 9.000000e-028518 8516 H12 SLES 1 33.7475 23.1806 -19.8548 HAL2 8514 0 0 0 9.000000e-028519 8517 C2 SLES 1 31.5507 23.2351 -20.1048 CTL2 8514 8518 8519 8520 - 1.800000e-018520 8518 H21 SLES 1 30.7177 23.9395 -20.343 HAL2 8517 0 0 0 9.000000e-028521 8519 H22 SLES 1 31.4658 22.3367 -20.7636 HAL2 8517 0 0 0 9.000000e-028522 8520 C3 SLES 1 31.4375 22.808 -18.6973 CTL2 8517 8521 8522 8523 - 1.800000e-018523 8521 H31 SLES 1 31.5339 23.7553 -18.1 HAL2 8520 0 0 0 9.000000e-028524 8522 H32 SLES 1 32.3066 22.1122 -18.535 HAL2 8520 0 0 0 9.000000e-028525 8523 C4 SLES 1 30.2206 22.0996 -18.197 CTL2 8520 8524 8525 8526 - 1.800000e-018526 8524 H41 SLES 1 29.3044 22.7284 -18.319 HAL2 8523 0 0 0 9.000000e-028527 8525 H42 SLES 1 30.0554 21.1404 -18.7416 HAL2 8523 0 0 0 9.000000e-028528 8526 C5 SLES 1 30.6616 21.9199 -16.7381 CTL2 8523 8527 8528 8529 - 1.800000e-018529 8527 H51 SLES 1 30.8831 22.9151 -16.2686 HAL2 8526 0 0 0 9.000000e-028530 8528 H52 SLES 1 31.6238 21.3455 -16.6864 HAL2 8526 0 0 0 9.000000e-028531 8529 C6 SLES 1 29.7257 21.2383 -15.8365 CTL2 8526 8530 8531 8532 - 1.800000e-018532 8530 H61 SLES 1 29.5446 21.9434 -14.9804 HAL2 8529 0 0 0 9.000000e-028533 8531 H62 SLES 1 30.2871 20.3693 -15.3994 HAL2 8529 0 0 0 9.000000e-028534 8532 C7 SLES 1 28.3962 20.7711 -16.4412 CTL2 8529 8533 8534 8535 - 1.800000e-018535 8533 H71 SLES 1 27.7548 21.6008 -16.8217 HAL2 8532 0 0 0 9.000000e-028536 8534 H72 SLES 1 28.5067 20.0072 -17.2456 HAL2 8532 0 0 0 9.000000e-028537 8535 C8 SLES 1 27.7888 20.1634 -15.2291 CTL2 8532 8536 8537 8538 - 1.800000e-018538 8536 H81 SLES 1 27.73 20.9829 -14.459 HAL2 8535 0 0 0 9.000000e-028539 8537 H82 SLES 1 28.4989 19.3556 -14.892 HAL2 8535 0 0 0 9.000000e-028540 8538 C9 SLES 1 26.4372 19.5421 -15.293 CTL2 8535 8539 8540 8541 - 1.800000e-018541 8539 H91 SLES 1 25.6804 20.2985 -15.599 HAL2 8538 0 0 0 9.000000e-028542 8540 H92 SLES 1 26.4345 18.7019 -16.0233 HAL2 8538 0 0 0 9.000000e-028543 8541 C10 SLES 1 26.2798 19.0827 -13.845 CTL2 8538 8542 8543 8544 - 1.800000e-018544 8542 H10 SLES 1 26.3656 19.9638 -13.1532 HAL2 8541 0 0 0 9.000000e-028545 8543 H10 SLES 1 27.1137 18.3791 -13.5748 HAL2 8541 0 0 0 9.000000e-028546 8544 C11 SLES 1 24.9913 18.392 -13.5364 CTL2 8541 8545 8546 8547 - 1.800000e-018547 8545 H11 SLES 1 24.1671 19.1005 -13.785 HAL2 8544 0 0 0 9.000000e-028548 8546 H11 SLES 1 24.9196 17.5064 -14.2095 HAL2 8544 0 0 0 9.000000e-028549 8547 C12 SLES 1 24.9732 17.9909 -12.0586 CTL3 8544 8548 8549 8550 - 2.700000e-018550 8548 H12 SLES 1 24.136 18.4958 -11.5386 HAL3 8547 0 0 0 9.000000e-028551 8549 H12 SLES 1 24.894 16.8903 -11.9652 HAL3 8547 0 0 0 9.000000e-028552 8550 H12 SLES 1 25.9084 18.2899 -11.5244 HAL3 8547 0 0 0 9.000000e-028553 8551 NA SLES 1 27.8794 38.2938 -27.9505 NA 0 0 0 0 1 .000000e+008554 8552 S SLES 1 28.346 39.0818 -25.0633 SL 8553 8554 8555 8556 1.33 0000e+008555 8553 OS1 SLES 1 27.5131 37.869 -24.9943 OSL 8552 8557 0 0 - 2.800000e-018556 8554 OS2 SLES 1 27.3561 39.7494 -25.8788 O2L 8552 0 0 0 - 6.500000e-018557 8555 OS3 SLES 1 29.3685 38.3736 -25.7984 O2L 8552 0 0 0 - 6.500000e-018558 8556 OS4 SLES 1 28.579 39.5037 -23.7107 O2L 8552 0 0 0 - 6.500000e-018559 8557 C2 SLES 1 27.0672 37.2144 -23.8745 CC32A 8553 8558 8559 8560 - 1.100000e-018560 8558 H2A SLES 1 26.4254 37.8892 -23.2487 HCA2 8557 0 0 0 9.000000e-028561 8559 H2B SLES 1 27.9281 36.8352 -23.2624 HCA2 8557 0 0 0 9.000000e-028562 8560 C1 SLES 1 26.2468 36.0566 -24.4826 CC32A 8557 8561 8562 8563 - 1.000000e-028563 8561 H1B SLES 1 25.4104 36.4484 -25.1176 HCA2 8560 0 0 0 9.000000e-028564 8562 H1A SLES 1 26.8944 35.397 -25.1109 HCA2 8560 0 0 0 9.000000e-028565 8563 O1 SLES 1 25.6188 35.1597 -23.6251 OC30A 8560 8564 0 0 - 3.400000e-018566 8564 C2 SLES 1 25.7496 35.3703 -22.231 CC32A 8563 8565 8566 8567 - 1.000000e-028567 8565 H2A SLES 1 25.3371 36.38 -21.9452 HCA2 8564 0 0 0 9.000000e-028568 8566 H2B SLES 1 26.8174 35.323 -21.913 HCA2 8564 0 0 0 9.000000e-028569 8567 C1 SLES 1 24.7299 34.189 -22.0423 CC32A 8564 8568 8569 8570 - 1.000000e-028570 8568 H1B SLES 1 24.0281 34.8667 -21.5385 HCA2 8567 0 0 0 9.000000e-028571 8569 H1A SLES 1 25.661 33.7131 -21.5636 HCA2 8567 0 0 0 9.000000e-028572 8570 O1 SLES 1 24.1567 33.0067 -21.5467 OC30A 8567 8571 0 0 - 3.400000e-018573 8571 C1 SLES 1 23.9281 32.9076 -20.1482 CTL2 8570 8572 8573 8574 - 1.800000e-018574 8572 H11 SLES 1 23.4287 33.7933 -19.6649 HAL2 8571 0 0 0 9.000000e-028575 8573 H12 SLES 1 24.8927 32.7393 -19.6063 HAL2 8571 0 0 0 9.000000e-028576 8574 C2 SLES 1 23.0291 31.672 -20.1347 CTL2 8571 8575 8576 8577 - 1.800000e-018577 8575 H21 SLES 1 22.0369 31.8381 -20.6191 HAL2 8574 0 0 0 9.000000e-028578 8576 H22 SLES 1 23.511 30.7743 -20.5931 HAL2 8574 0 0 0 9.000000e-028579 8577 C3 SLES 1 22.8303 31.4244 -18.6941 CTL2 8574 8578 8579 8580 - 1.800000e-018580 8578 H31 SLES 1 22.3487 32.3622 -18.3042 HAL2 8577 0 0 0 9.000000e-028581 8579 H32 SLES 1 23.8657 31.274 -18.2804 HAL2 8577 0 0 0 9.000000e-028582 8580 C4 SLES 1 22.0037 30.277 -18.2109 CTL2 8577 8581 8582 8583 - 1.800000e-018583 8581 H41 SLES 1 20.9501 30.3516 -18.5771 HAL2 8580 0 0 0 9.000000e-028584 8582 H42 SLES 1 22.4204 29.3016 -18.5558 HAL2 8580 0 0 0 9.000000e-028585 8583 C5 SLES 1 22.1568 30.522 -16.7037 CTL2 8580 8584 8585 8586 - 1.800000e-018586 8584 H51 SLES 1 21.788 31.5468 -16.4322 HAL2 8583 0 0 0 9.000000e-028587 8585 H52 SLES 1 23.2398 30.5083 -16.4114 HAL2 8583 0 0 0 9.000000e-028588 8586 C6 SLES 1 21.4747 29.5865 -15.8022 CTL2 8583 8587 8588 8589 - 1.800000e-018589 8587 H61 SLES 1 20.8112 30.2113 -15.1448 HAL2 8586 0 0 0 9.000000e-028590 8588 H62 SLES 1 22.2669 29.1697 -15.1239 HAL2 8586 0 0 0 9.000000e-028591 8589 C7 SLES 1 20.6742 28.4533 -16.4553 CTL2 8586 8590 8591 8592 - 1.800000e-018592 8590 H71 SLES 1 19.8192 28.8039 -17.0803 HAL2 8589 0 0 0 9.000000e-028593 8591 H72 SLES 1 21.293 27.7495 -17.0589 HAL2 8589 0 0 0 9.000000e-028594 8592 C8 SLES 1 20.1748 27.782 -15.2274 CTL2 8589 8593 8594 8595 - 1.800000e-018595 8593 H81 SLES 1 19.582 28.555 -14.6623 HAL2 8592 0 0 0 9.000000e-028596 8594 H82 SLES 1 21.0881 27.4787 -14.6405 HAL2 8592 0 0 0 9.000000e-028597 8595 C9 SLES 1 19.3118 26.5728 -15.3264 CTL2 8592 8596 8597 8598 - 1.800000e-018598 8596 H91 SLES 1 18.3755 26.8128 -15.8782 HAL2 8595 0 0 0 9.000000e-028599 8597 H92 SLES 1 19.8527 25.7568 -15.8563 HAL2 8595 0 0 0 9.000000e-028600 8598 C10 SLES 1 19.0812 26.2806 -13.8452 CTL2 8595 8599 8600 8601 - 1.800000e-018601 8599 H10 SLES 1 18.6011 27.168 -13.351 HAL2 8598 0 0 0 9.000000e-028602 8600 H10 SLES 1 20.0671 26.1198 -13.3298 HAL2 8598 0 0 0 9.000000e-028603 8601 C11 SLES 1 18.2255 25.0893 -13.5605 CTL2 8598 8602 8603 8604 - 1.800000e-018604 8602 H11 SLES 1 17.2412 25.262 -14.0549 HAL2 8601 0 0 0 9.000000e-028605 8603 H11 SLES 1 18.7159 24.2074 -14.034 HAL2 8601 0 0 0 9.000000e-028606 8604 C12 SLES 1 18.0816 24.9198 -12.0455 CTL3 8601 8605 8606 8607 - 2.700000e-018607 8605 H12 SLES 1 17.0172 25.0068 -11.7532 HAL3 8604 0 0 0 9.000000e-028608 8606 H12 SLES 1 18.5023 23.9447 -11.7312 HAL3 8604 0 0 0 9.000000e-028609 8607 H12 SLES 1 18.6353 25.705 -11.4742 HAL3 8604 0 0 0 9.000000e-028610 8608 NA SLES 1 15.3082 44.9051 -27.8589 NA 0 0 0 0 1 .000000e+008611 8609 S SLES 1 14.645 45.9731 -25.1032 SL 8610 8611 8612 8613 1.33 0000e+008612 8610 OS1 SLES 1 14.4829 44.5134 -24.992 OSL 8609 8614 0 0 - 2.800000e-018613 8611 OS2 SLES 1 13.6872 46.0255 -26.1852 O2L 8609 0 0 0 - 6.500000e-018614 8612 OS3 SLES 1 16.0223 45.8189 -25.5114 O2L 8609 0 0 0 - 6.500000e-018615 8613 OS4 SLES 1 14.322 46.5264 -23.8182 O2L 8609 0 0 0 - 6.500000e-018616 8614 C2 SLES 1 14.1382 43.7851 -23.8821 CC32A 8610 8615 8616 8617 - 1.100000e-018617 8615 H2A SLES 1 13.127 44.0911 -23.5041 HCA2 8614 0 0 0 9.000000e-028618 8616 H2B SLES 1 14.9007 43.9096 -23.0681 HCA2 8614 0 0 0 9.000000e-028619 8617 C1 SLES 1 14.1239 42.3432 -24.4338 CC32A 8614 8618 8619 8620 - 1.000000e-028620 8618 H1B SLES 1 13.3817 42.2404 -25.2675 HCA2 8617 0 0 0 9.000000e-028621 8619 H1A SLES 1 15.1335 42.0532 -24.8156 HCA2 8617 0 0 0 9.000000e-028622 8620 O1 SLES 1 13.7998 41.3008 -23.5721 OC30A 8617 8621 0 0 - 3.400000e-018623 8621 C2 SLES 1 13.4781 41.6224 -22.2313 CC32A 8620 8622 8623 8624 - 1.000000e-028624 8622 H2A SLES 1 12.5883 42.3141 -22.1952 HCA2 8621 0 0 0 9.000000e-028625 8623 H2B SLES 1 14.3333 42.1215 -21.7184 HCA2 8621 0 0 0 9.000000e-028626 8624 C1 SLES 1 13.1134 40.1049 -22.0436 CC32A 8621 8625 8626 8627 - 1.000000e-028627 8625 H1B SLES 1 12.0791 40.3776 -21.7954 HCA2 8624 0 0 0 9.000000e-028628 8626 H1A SLES 1 14.0128 40.1726 -21.3303 HCA2 8624 0 0 0 9.000000e-028629 8627 O1 SLES 1 13.0557 38.8218 -21.476 OC30A 8624 8628 0 0 - 3.400000e-018630 8628 C1 SLES 1 12.5707 38.698 -20.1466 CTL2 8627 8629 8630 8631 - 1.800000e-018631 8629 H11 SLES 1 11.6172 39.2497 -19.9149 HAL2 8628 0 0 0 9.000000e-028632 8630 H12 SLES 1 13.3406 39.0531 -19.416 HAL2 8628 0 0 0 9.000000e-028633 8631 C2 SLES 1 12.3762 37.1832 -20.0977 CTL2 8628 8632 8633 8634 - 1.800000e-018634 8632 H21 SLES 1 11.5702 36.8157 -20.7773 HAL2 8631 0 0 0 9.000000e-028635 8633 H22 SLES 1 13.3146 36.6138 -20.3065 HAL2 8631 0 0 0 9.000000e-028636 8634 C3 SLES 1 11.9756 36.9471 -18.6976 CTL2 8631 8635 8636 8637 - 1.800000e-018637 8635 H31 SLES 1 11.0354 37.5478 -18.5617 HAL2 8634 0 0 0 9.000000e-028638 8636 H32 SLES 1 12.8283 37.3457 -18.0812 HAL2 8634 0 0 0 9.000000e-028639 8637 C4 SLES 1 11.6889 35.5695 -18.1946 CTL2 8634 8638 8639 8640 - 1.800000e-018640 8638 H41 SLES 1 10.8446 35.0986 -18.756 HAL2 8637 0 0 0 9.000000e-028641 8639 H42 SLES 1 12.5804 34.9066 -18.2928 HAL2 8637 0 0 0 9.000000e-028642 8640 C5 SLES 1 11.3429 35.938 -16.7456 CTL2 8637 8641 8642 8643 - 1.800000e-018643 8641 H51 SLES 1 10.4868 36.6634 -16.7177 HAL2 8640 0 0 0 9.000000e-028644 8642 H52 SLES 1 12.2017 36.4723 -16.2603 HAL2 8640 0 0 0 9.000000e-028645 8643 C6 SLES 1 10.9801 34.8378 -15.8449 CTL2 8640 8644 8645 8646 - 1.800000e-018646 8644 H61 SLES 1 9.96615 35.0913 -15.4321 HAL2 8643 0 0 0 9.000000e-028647 8645 H62 SLES 1 11.6858 34.8994 -14.9734 HAL2 8643 0 0 0 9.000000e-028648 8646 C7 SLES 1 10.9822 33.4247 -16.4405 CTL2 8643 8647 8648 8649 - 1.800000e-018649 8647 H71 SLES 1 10.241 33.2775 -17.2613 HAL2 8646 0 0 0 9.000000e-028650 8648 H72 SLES 1 11.9819 33.0834 -16.7966 HAL2 8646 0 0 0 9.000000e-028651 8649 C8 SLES 1 10.5737 32.6614 -15.233 CTL2 8646 8650 8651 8652 - 1.800000e-018652 8650 H81 SLES 1 9.57328 33.0735 -14.9209 HAL2 8649 0 0 0 9.000000e-028653 8651 H82 SLES 1 11.3517 32.8762 -14.4463 HAL2 8649 0 0 0 9.000000e-028654 8652 C9 SLES 1 10.4246 31.1811 -15.2908 CTL2 8649 8653 8654 8655 - 1.800000e-018655 8653 H91 SLES 1 9.648 30.9017 -16.0374 HAL2 8652 0 0 0 9.000000e-028656 8654 H92 SLES 1 11.3924 30.708 -15.5714 HAL2 8652 0 0 0 9.000000e-028657 8655 C10 SLES 1 10.0079 30.8928 -13.85 CTL2 8652 8656 8657 8658 - 1.800000e-018658 8656 H10 SLES 1 9.06729 31.456 -13.6045 HAL2 8655 0 0 0 9.000000e-028659 8657 H10 SLES 1 10.7987 31.2634 -13.1424 HAL2 8655 0 0 0 9.000000e-028660 8658 C11 SLES 1 9.76448 29.4521 -13.5375 CTL2 8655 8659 8660 8661 - 1.800000e-018661 8659 H11 SLES 1 8.96444 29.0937 -14.2264 HAL2 8658 0 0 0 9.000000e-028662 8660 H11 SLES 1 10.7063 28.8998 -13.762 HAL2 8658 0 0 0 9.000000e-028663 8661 C12 SLES 1 9.35647 29.3148 -12.068 CTL3 8658 8662 8663 8664 - 2.700000e-018664 8662 H12 SLES 1 8.33882 28.8844 -11.9953 HAL3 8661 0 0 0 9.000000e-028665 8663 H12 SLES 1 10.0928 28.6893 -11.5267 HAL3 8661 0 0 0 9.000000e-028666 8664 H12 SLES 1 9.32558 30.2998 -11.5404 HAL3 8661 0 0 0 9.000000e-028667 8665 NA SLES 1 1.2519 47.6243 -27.6158 NA 0 0 0 0 1 .000000e+008668 8666 S SLES 1 -0.48998 48.1745 -25.1998 SL 8667 8668 8669 8670 1.33 0000e+008669 8667 OS1 SLES 1 0.0356554 46.8155 -24.9852 OSL 8666 8671 0 0 - 2.800000e-018670 8668 OS2 SLES 1 -1.06018 47.784 -26.4698 O2L 8666 0 0 0 - 6.500000e-018671 8669 OS3 SLES 1 0.848698 48.7134 -25.2692 O2L 8666 0 0 0 - 6.500000e-018672 8670 OS4 SLES 1 -1.34 48.4729 -24.0816 O2L 8666 0 0 0 - 6.500000e-018673 8671 C2 SLES 1 -0.183811 45.9852 -23.9158 CC32A 8667 8672 8673 8674 - 1.100000e-018674 8672 H2A SLES 1 -1.27696 45.7565 -23.8079 HCA2 8671 0 0 0 9.000000e-028675 8673 H2B SLES 1 0.203164 46.4428 -22.9669 HCA2 8671 0 0 0 9.000000e-028676 8674 C1 SLES 1 0.621073 44.7287 -24.3121 CC32A 8671 8675 8676 8677 - 1.000000e-028677 8675 H1B SLES 1 0.245908 44.3005 -25.2776 HCA2 8674 0 0 0 9.000000e-028678 8676 H1A SLES 1 1.7063 44.9708 -24.4256 HCA2 8674 0 0 0 9.000000e-028679 8677 O1 SLES 1 0.6284 43.6392 -23.4477 OC30A 8674 8678 0 0 - 3.400000e-018680 8678 C2 SLES 1 -0.124691 43.734 -22.2524 CC32A 8677 8679 8680 8681 - 1.000000e-028681 8679 H2A SLES 1 -1.21367 43.9096 -22.4863 HCA2 8678 0 0 0 9.000000e-028682 8680 H2B SLES 1 0.23748 44.5714 -21.6112 HCA2 8678 0 0 0 9.000000e-028683 8681 C1 SLES 1 0.238069 42.2248 -22.0038 CC32A 8678 8682 8683 8684 - 1.000000e-028684 8682 H1B SLES 1 -0.827066 41.9589 -22.0237 HCA2 8681 0 0 0 9.000000e-028685 8683 H1A SLES 1 0.792486 42.7011 -21.116 HCA2 8681 0 0 0 9.000000e-028686 8684 O1 SLES 1 0.656792 41.06 -21.3407 OC30A 8681 8685 0 0 - 3.400000e-018687 8685 C1 SLES 1 -0.0211082 40.6863 -20.1496 CTL2 8684 8686 8687 8688 - 1.800000e-018688 8686 H11 SLES 1 -1.1458 40.704 -20.1946 HAL2 8685 0 0 0 9.000000e-028689 8687 H12 SLES 1 0.28348 41.3513 -19.3025 HAL2 8685 0 0 0 9.000000e-028690 8688 C2 SLES 1 0.518503 39.2648 -19.9973 CTL2 8685 8689 8690 8691 - 1.800000e-018691 8689 H21 SLES 1 0.176663 38.5703 -20.8019 HAL2 8688 0 0 0 9.000000e-028692 8690 H22 SLES 1 1.63312 39.2238 -19.9319 HAL2 8688 0 0 0 9.000000e-028693 8691 C3 SLES 1 -0.0521241 38.8317 -18.7077 CTL2 8688 8692 8693 8694 - 1.800000e-018694 8692 H31 SLES 1 -1.16526 38.9011 -18.8473 HAL2 8691 0 0 0 9.000000e-028695 8693 H32 SLES 1 0.329941 39.5774 -17.9569 HAL2 8691 0 0 0 9.000000e-028696 8694 C4 SLES 1 0.233177 37.4752 -18.1495 CTL2 8691 8695 8696 8697 - 1.800000e-018697 8695 H41 SLES 1 -0.121143 36.6689 -18.8381 HAL2 8694 0 0 0 9.000000e-028698 8696 H42 SLES 1 1.32523 37.3271 -17.9782 HAL2 8694 0 0 0 9.000000e-028699 8697 C5 SLES 1 -0.589096 37.5968 -16.8595 CTL2 8694 8698 8699 8700 - 1.800000e-018700 8698 H51 SLES 1 -1.66356 37.8184 -17.0971 HAL2 8697 0 0 0 9.000000e-028701 8699 H52 SLES 1 -0.233893 38.4674 -16.2477 HAL2 8697 0 0 0 9.000000e-028702 8700 C6 SLES 1 -0.596769 36.4371 -15.9604 CTL2 8697 8701 8702 8703 - 1.800000e-018703 8701 H61 SLES 1 -1.67606 36.1602 -15.8143 HAL2 8700 0 0 0 9.000000e-028704 8702 H62 SLES 1 -0.242321 36.8108 -14.9625 HAL2 8700 0 0 0 9.000000e-028705 8703 C7 SLES 1 0.219079 35.2147 -16.3985 CTL2 8700 8704 8705 8706 - 1.800000e-018706 8704 H71 SLES 1 -0.137471 34.7478 -17.3468 HAL2 8703 0 0 0 9.000000e-028707 8705 H72 SLES 1 1.31388 35.4065 -16.4842 HAL2 8703 0 0 0 9.000000e-028708 8706 C8 SLES 1 -0.0617829 34.3208 -15.2454 CTL2 8703 8707 8708 8709 - 1.800000e-018709 8707 H81 SLES 1 -1.1799 34.1918 -15.2093 HAL2 8706 0 0 0 9.000000e-028710 8708 H82 SLES 1 0.302254 34.8656 -14.3283 HAL2 8706 0 0 0 9.000000e-028711 8709 C9 SLES 1 0.526095 32.954 -15.1897 CTL2 8706 8710 8711 8712 - 1.800000e-018712 8710 H91 SLES 1 0.183926 32.3524 -16.0612 HAL2 8709 0 0 0 9.000000e-028713 8711 H92 SLES 1 1.63769 33.0131 -15.1965 HAL2 8709 0 0 0 9.000000e-028714 8712 C10 SLES 1 -0.0435056 32.4665 -13.8591 CTL2 8709 8713 8714 8715 - 1.800000e-018715 8713 H10 SLES 1 -1.1661 32.5002 -13.8889 HAL2 8712 0 0 0 9.000000e-028716 8714 H10 SLES 1 0.277096 33.1557 -13.031 HAL2 8712 0 0 0 9.000000e-028717 8715 C11 SLES 1 0.355008 31.0801 -13.4696 CTL2 8712 8716 8717 8718 - 1.800000e-018718 8716 H11 SLES 1 0.0162057 30.3967 -14.2828 HAL2 8715 0 0 0 9.000000e-028719 8717 H11 SLES 1 1.46831 31.0561 -13.4202 HAL2 8715 0 0 0 9.000000e-028720 8718 C12 SLES 1 -0.285688 30.7283 -12.124 CTL3 8715 8719 8720 8721 - 2.700000e-018721 8719 H12 SLES 1 -0.961353 29.8589 -12.2411 HAL3 8718 0 0 0 9.000000e-028722 8720 H12 SLES 1 0.500563 30.523 -11.3716 HAL3 8718 0 0 0 9.000000e-028723 8721 H12 SLES 1 -0.906853 31.5635 -11.7164 HAL3 8718 0 0 0 9.000000e-028724 8722 NA SLES 1 -13.1891 46.0889 -27.2451 NA 0 0 0 0 1 .000000e+008725 8723 S SLES 1 -15.4744 45.5098 -25.3435 SL 8724 8725 8726 8727 1.33 0000e+008726 8724 OS1 SLES 1 -14.4225 44.5471 -24.9745 OSL 8723 8728 0 0 - 2.800000e-018727 8725 OS2 SLES 1 -15.4818 45.023 -26.705 O2L 8723 0 0 0 - 6.500000e-018728 8726 OS3 SLES 1 -14.5856 46.6214 -25.0953 O2L 8723 0 0 0 - 6.500000e-018729 8727 OS4 SLES 1 -16.5903 45.2593 -24.4752 O2L 8723 0 0 0 - 6.500000e-018730 8728 C2 SLES 1 -14.4493 43.6113 -23.9722 CC32A 8724 8729 8730 8731 - 1.100000e-018731 8729 H2A SLES 1 -15.2886 42.8835 -24.1302 HCA2 8728 0 0 0 9.000000e-028732 8730 H2B SLES 1 -14.5568 44.1017 -22.9685 HCA2 8728 0 0 0 9.000000e-028733 8731 C1 SLES 1 -13.0726 42.9305 -24.1293 CC32A 8728 8732 8733 8734 - 1.000000e-028734 8732 H1B SLES 1 -12.9655 42.473 -25.1469 HCA2 8731 0 0 0 9.000000e-028735 8733 H1A SLES 1 -12.2452 43.6667 -23.979 HCA2 8731 0 0 0 9.000000e-028736 8734 O1 SLES 1 -12.7361 41.895 -23.264 OC30A 8731 8735 0 0 - 3.400000e-018737 8735 C2 SLES 1 -13.6892 41.5045 -22.2924 CC32A 8734 8736 8737 8738 - 1.000000e-028738 8736 H2A SLES 1 -14.6427 41.1664 -22.7902 HCA2 8735 0 0 0 9.000000e-028739 8737 H2B SLES 1 -13.9313 42.346 -21.6019 HCA2 8735 0 0 0 9.000000e-028740 8738 C1 SLES 1 -12.7104 40.3301 -21.9268 CC32A 8735 8739 8740 8741 - 1.000000e-028741 8739 H1B SLES 1 -13.4791 39.5955 -22.201 HCA2 8738 0 0 0 9.000000e-028742 8740 H1A SLES 1 -12.6714 40.922 -20.9417 HCA2 8738 0 0 0 9.000000e-028743 8741 O1 SLES 1 -11.9439 39.4429 -21.154 OC30A 8738 8742 0 0 - 3.400000e-018744 8742 C1 SLES 1 -12.6064 38.6781 -20.1569 CTL2 8741 8743 8744 8745 - 1.800000e-018745 8743 H11 SLES 1 -13.5567 38.1663 -20.4767 HAL2 8742 0 0 0 9.000000e-028746 8744 H12 SLES 1 -12.8607 39.3212 -19.277 HAL2 8742 0 0 0 9.000000e-028747 8745 C2 SLES 1 -11.4985 37.6735 -19.8434 CTL2 8742 8746 8747 8748 - 1.800000e-018748 8746 H21 SLES 1 -11.2711 36.9828 -20.6907 HAL2 8745 0 0 0 9.000000e-028749 8747 H22 SLES 1 -10.5501 38.1581 -19.5058 HAL2 8745 0 0 0 9.000000e-028750 8748 C3 SLES 1 -12.0639 36.8978 -18.7232 CTL2 8745 8749 8750 8751 - 1.800000e-018751 8749 H31 SLES 1 -13.0079 36.4459 -19.1331 HAL2 8748 0 0 0 9.000000e-028752 8750 H32 SLES 1 -12.2697 37.6577 -17.9195 HAL2 8748 0 0 0 9.000000e-028753 8751 C4 SLES 1 -11.2942 35.79 -18.0802 CTL2 8748 8752 8753 8754 - 1.800000e-018754 8752 H41 SLES 1 -11.0497 34.984 -18.8154 HAL2 8751 0 0 0 9.000000e-028755 8753 H42 SLES 1 -10.3371 36.1598 -17.643 HAL2 8751 0 0 0 9.000000e-028756 8754 C5 SLES 1 -12.3401 35.3809 -17.0344 CTL2 8751 8755 8756 8757 - 1.800000e-018757 8755 H51 SLES 1 -13.3027 35.0903 -17.5334 HAL2 8754 0 0 0 9.000000e-028758 8756 H52 SLES 1 -12.5976 36.2511 -16.3749 HAL2 8754 0 0 0 9.000000e-028759 8757 C6 SLES 1 -11.9903 34.2734 -16.1375 CTL2 8754 8758 8759 8760 - 1.800000e-018760 8758 H61 SLES 1 -12.8033 33.5064 -16.2539 HAL2 8757 0 0 0 9.000000e-028761 8759 H62 SLES 1 -12.096 34.6703 -15.0922 HAL2 8757 0 0 0 9.000000e-028762 8760 C7 SLES 1 -10.6113 33.6319 -16.3331 CTL2 8757 8761 8762 8763 - 1.800000e-018763 8761 H71 SLES 1 -10.4737 33.1475 -17.3287 HAL2 8760 0 0 0 9.000000e-028764 8762 H72 SLES 1 -9.75787 34.3259 -16.1524 HAL2 8760 0 0 0 9.000000e-028765 8763 C8 SLES 1 -10.6783 32.603 -15.2633 CTL2 8760 8764 8765 8766 - 1.800000e-018766 8764 H81 SLES 1 -11.5706 31.9578 -15.4994 HAL2 8763 0 0 0 9.000000e-028767 8765 H82 SLES 1 -10.8401 33.162 -14.2981 HAL2 8763 0 0 0 9.000000e-028768 8766 C9 SLES 1 -9.53409 31.6786 -15.0329 CTL2 8763 8767 8768 8769 - 1.800000e-018769 8767 H91 SLES 1 -9.33666 31.0756 -15.9472 HAL2 8766 0 0 0 9.000000e-028770 8768 H92 SLES 1 -8.62022 32.2566 -14.7684 HAL2 8766 0 0 0 9.000000e-028771 8769 C10 SLES 1 -10.0816 30.8516 -13.8714 CTL2 8766 8770 8771 8772 - 1.800000e-018772 8770 H10 SLES 1 -11.0412 30.3533 -14.1763 HAL2 8769 0 0 0 9.000000e-028773 8771 H10 SLES 1 -10.3297 31.5254 -13.0065 HAL2 8769 0 0 0 9.000000e-028774 8772 C11 SLES 1 -9.16354 29.7878 -13.3635 CTL2 8769 8773 8774 8775 - 1.800000e-018775 8773 H11 SLES 1 -8.93701 29.109 -14.2185 HAL2 8772 0 0 0 9.000000e-028776 8774 H11 SLES 1 -8.22085 30.2883 -13.042 HAL2 8772 0 0 0 9.000000e-028777 8775 C12 SLES 1 -9.84007 29.0446 -12.2081 CTL3 8772 8776 8777 8778 - 2.700000e-018778 8776 H12 SLES 1 -9.96615 27.9754 -12.4667 HAL3 8775 0 0 0 9.000000e-028779 8777 H12 SLES 1 -9.24547 29.1626 -11.2813 HAL3 8775 0 0 0 9.000000e-028780 8778 H12 SLES 1 -10.8607 29.4422 -11.9851 HAL3 8775 0 0 0 9.000000e-028781 8779 NA SLES 1 -26.7673 40.2093 -26.7829 NA 0 0 0 0 1 .000000e+008782 8780 S SLES 1 -28.7813 38.3321 -25.5203 SL 8781 8782 8783 8784 1.33 0000e+008783 8781 OS1 SLES 1 -27.4814 37.9235 -24.9611 OSL 8780 8785 0 0 - 2.800000e-018784 8782 OS2 SLES 1 -28.298 38.1273 -26.8676 O2L 8780 0 0 0 - 6.500000e-018785 8783 OS3 SLES 1 -28.6146 39.6722 -25.0068 O2L 8780 0 0 0 - 6.500000e-018786 8784 OS4 SLES 1 -29.7694 37.4535 -24.9605 O2L 8780 0 0 0 - 6.500000e-018787 8785 C2 SLES 1 -27.2305 36.9332 -24.046 CC32A 8781 8786 8787 8788 - 1.100000e-018788 8786 H2A SLES 1 -27.5599 35.9355 -24.4397 HCA2 8785 0 0 0 9.000000e-028789 8787 H2B SLES 1 -27.7476 37.1461 -23.0729 HCA2 8785 0 0 0 9.000000e-028790 8788 C1 SLES 1 -25.695 37.0068 -23.9034 CC32A 8785 8789 8790 8791 - 1.000000e-028791 8789 H1B SLES 1 -25.1919 36.8246 -24.8883 HCA2 8788 0 0 0 9.000000e-028792 8790 H1A SLES 1 -25.3786 38.0077 -23.5195 HCA2 8788 0 0 0 9.000000e-028793 8791 O1 SLES 1 -25.0606 36.1211 -23.039 OC30A 8788 8792 0 0 - 3.400000e-018794 8792 C2 SLES 1 -25.8604 35.1795 -22.3473 CC32A 8791 8793 8794 8795 - 1.000000e-028795 8793 H2A SLES 1 -26.4153 34.5231 -23.0771 HCA2 8792 0 0 0 9.000000e-028796 8794 H2B SLES 1 -26.6064 35.6863 -21.6915 HCA2 8792 0 0 0 9.000000e-028797 8795 C1 SLES 1 -24.5184 34.5532 -21.8202 CC32A 8792 8796 8797 8798 - 1.000000e-028798 8796 H1B SLES 1 -24.7629 33.6013 -22.3099 HCA2 8795 0 0 0 9.000000e-028799 8797 H1A SLES 1 -24.9569 34.9256 -20.8245 HCA2 8795 0 0 0 9.000000e-028800 8798 O1 SLES 1 -23.5732 34.0116 -20.9341 OC30A 8795 8799 0 0 - 3.400000e-018801 8799 C1 SLES 1 -23.9468 32.8753 -20.1678 CTL2 8798 8800 8801 8802 - 1.800000e-018802 8800 H11 SLES 1 -24.4466 32.0402 -20.7336 HAL2 8799 0 0 0 9.000000e-028803 8801 H12 SLES 1 -24.6409 33.173 -19.3419 HAL2 8799 0 0 0 9.000000e-028804 8802 C2 SLES 1 -22.5684 32.4654 -19.6511 CTL2 8799 8803 8804 8805 - 1.800000e-018805 8803 H21 SLES 1 -21.88 32.1084 -20.4544 HAL2 8802 0 0 0 9.000000e-028806 8804 H22 SLES 1 -22.0602 33.273 -19.07 HAL2 8802 0 0 0 9.000000e-028807 8805 C3 SLES 1 -22.8766 31.3446 -18.7427 CTL2 8802 8806 8807 8808 - 1.800000e-018808 8806 H31 SLES 1 -23.3839 30.5793 -19.391 HAL2 8805 0 0 0 9.000000e-028809 8807 H32 SLES 1 -23.5726 31.7788 -17.9727 HAL2 8805 0 0 0 9.000000e-028810 8808 C4 SLES 1 -21.7966 30.6338 -17.9935 CTL2 8805 8809 8810 8811 - 1.800000e-018811 8809 H41 SLES 1 -21.0577 30.1663 -18.6901 HAL2 8808 0 0 0 9.000000e-028812 8810 H42 SLES 1 -21.243 31.3293 -17.3198 HAL2 8808 0 0 0 9.000000e-028813 8811 C5 SLES 1 -22.6802 29.6207 -17.2532 CTL2 8808 8812 8813 8814 - 1.800000e-018814 8812 H51 SLES 1 -23.2658 29.0016 -17.9837 HAL2 8811 0 0 0 9.000000e-028815 8813 H52 SLES 1 -23.4475 30.1504 -16.6296 HAL2 8811 0 0 0 9.000000e-028816 8814 C6 SLES 1 -22.0049 28.6734 -16.3588 CTL2 8811 8815 8816 8817 - 1.800000e-018817 8815 H61 SLES 1 -22.3002 27.6469 -16.7079 HAL2 8814 0 0 0 9.000000e-028818 8816 H62 SLES 1 -22.4822 28.7989 -15.3499 HAL2 8814 0 0 0 9.000000e-028819 8817 C7 SLES 1 -20.4795 28.7885 -16.251 CTL2 8814 8818 8819 8820 - 1.800000e-018820 8818 H71 SLES 1 -19.9413 28.5936 -17.2085 HAL2 8817 0 0 0 9.000000e-028821 8819 H72 SLES 1 -20.1258 29.7598 -15.8335 HAL2 8817 0 0 0 9.000000e-028822 8820 C8 SLES 1 -20.2297 27.6875 -15.285 CTL2 8817 8821 8822 8823 - 1.800000e-018823 8821 H81 SLES 1 -20.6302 26.7497 -15.7628 HAL2 8820 0 0 0 9.000000e-028824 8822 H82 SLES 1 -20.8195 27.9411 -14.3586 HAL2 8820 0 0 0 9.000000e-028825 8823 C9 SLES 1 -18.8444 27.3778 -14.8358 CTL2 8820 8824 8825 8826 - 1.800000e-018826 8824 H91 SLES 1 -18.2121 27.0942 -15.7066 HAL2 8823 0 0 0 9.000000e-028827 8825 H92 SLES 1 -18.3979 28.2626 -14.3289 HAL2 8823 0 0 0 9.000000e-028828 8826 C10 SLES 1 -19.1199 26.214 -13.8858 CTL2 8823 8827 8828 8829 - 1.800000e-018829 8827 H10 SLES 1 -19.637 25.3839 -14.4386 HAL2 8826 0 0 0 9.000000e-028830 8828 H10 SLES 1 -19.8209 26.5437 -13.0713 HAL2 8826 0 0 0 9.000000e-028831 8829 C11 SLES 1 -17.9101 25.6325 -13.2294 CTL2 8826 8830 8831 8832 - 1.800000e-018832 8830 H11 SLES 1 -17.2268 25.2868 -14.0398 HAL2 8829 0 0 0 9.000000e-028833 8831 H11 SLES 1 -17.4115 26.4539 -12.6646 HAL2 8829 0 0 0 9.000000e-028834 8832 C12 SLES 1 -18.3354 24.4826 -12.3119 CTL3 8829 8833 8834 8835 - 2.700000e-018835 8833 H12 SLES 1 -17.8712 23.5359 -12.6498 HAL3 8832 0 0 0 9.000000e-028836 8834 H12 SLES 1 -18.0576 24.7106 -11.2644 HAL3 8832 0 0 0 9.000000e-028837 8835 H12 SLES 1 -19.4409 24.3175 -12.32 HAL3 8832 0 0 0 9.000000e-028838 8836 NA SLES 1 -38.1471 30.2692 -26.2746 NA 0 0 0 0 1 .000000e+008839 8837 S SLES 1 -39.1136 27.4541 -25.713 SL 8838 8839 8840 8841 1.33 0000e+008840 8838 OS1 SLES 1 -37.8629 27.5844 -24.9461 OSL 8837 8842 0 0 - 2.800000e-018841 8839 OS2 SLES 1 -38.4281 27.7872 -26.9417 O2L 8837 0 0 0 - 6.500000e-018842 8840 OS3 SLES 1 -39.6949 28.5761 -25.0124 O2L 8837 0 0 0 - 6.500000e-018843 8841 OS4 SLES 1 -39.6013 26.1221 -25.4899 O2L 8837 0 0 0 - 6.500000e-018844 8842 C2 SLES 1 -37.273 26.6534 -24.1297 CC32A 8838 8843 8844 8845 - 1.100000e-018845 8843 H2A SLES 1 -37.0155 25.7257 -24.7059 HCA2 8842 0 0 0 9.000000e-028846 8844 H2B SLES 1 -37.9448 26.3913 -23.2697 HCA2 8842 0 0 0 9.000000e-028847 8845 C1 SLES 1 -36.005 27.3962 -23.6564 CC32A 8842 8846 8847 8848 - 1.000000e-028848 8846 H1B SLES 1 -35.3589 27.6809 -24.527 HCA2 8845 0 0 0 9.000000e-028849 8847 H1A SLES 1 -36.274 28.3228 -23.0922 HCA2 8845 0 0 0 9.000000e-028850 8848 O1 SLES 1 -35.1301 26.7434 -22.7947 OC30A 8845 8849 0 0 - 3.400000e-018851 8849 C2 SLES 1 -35.4411 25.4162 -22.4118 CC32A 8848 8850 8851 8852 - 1.000000e-028852 8850 H2A SLES 1 -35.5041 24.7494 -23.3189 HCA2 8849 0 0 0 9.000000e-028853 8851 H2B SLES 1 -36.4153 25.3686 -21.8712 HCA2 8849 0 0 0 9.000000e-028854 8852 C1 SLES 1 -34.0427 25.3853 -21.6944 CC32A 8849 8853 8854 8855 - 1.000000e-028855 8853 H1B SLES 1 -33.7228 24.5566 -22.3398 HCA2 8852 0 0 0 9.000000e-028856 8854 H1A SLES 1 -34.7283 25.2919 -20.7759 HCA2 8852 0 0 0 9.000000e-028857 8855 O1 SLES 1 -33.0726 25.1677 -20.7027 OC30A 8852 8856 0 0 - 3.400000e-018858 8856 C1 SLES 1 -32.9299 23.854 -20.1813 CTL2 8855 8857 8858 8859 - 1.800000e-018859 8857 H11 SLES 1 -32.8779 23.0241 -20.9401 HAL2 8856 0 0 0 9.000000e-028860 8858 H12 SLES 1 -33.7775 23.6143 -19.4909 HAL2 8856 0 0 0 9.000000e-028861 8859 C2 SLES 1 -31.6056 24.0284 -19.4392 CTL2 8856 8860 8861 8862 - 1.800000e-018862 8860 H21 SLES 1 -30.7365 24.2098 -20.1162 HAL2 8859 0 0 0 9.000000e-028863 8861 H22 SLES 1 -31.6388 24.8354 -18.6672 HAL2 8859 0 0 0 9.000000e-028864 8862 C3 SLES 1 -31.432 22.7282 -18.7642 CTL2 8859 8863 8864 8865 - 1.800000e-018865 8863 H31 SLES 1 -31.4105 21.9724 -19.5959 HAL2 8862 0 0 0 9.000000e-028866 8864 H32 SLES 1 -32.3415 22.617 -18.1114 HAL2 8862 0 0 0 9.000000e-028867 8865 C4 SLES 1 -30.2453 22.4563 -17.8977 CTL2 8862 8866 8867 8868 - 1.800000e-018868 8866 H41 SLES 1 -29.2916 22.5431 -18.4745 HAL2 8865 0 0 0 9.000000e-028869 8867 H42 SLES 1 -30.1957 23.168 -17.0404 HAL2 8865 0 0 0 9.000000e-028870 8868 C5 SLES 1 -30.5992 21.0186 -17.4943 CTL2 8865 8869 8870 8871 - 1.800000e-018871 8869 H51 SLES 1 -30.7069 20.3698 -18.404 HAL2 8868 0 0 0 9.000000e-028872 8870 H52 SLES 1 -31.599 20.9877 -16.9866 HAL2 8868 0 0 0 9.000000e-028873 8871 C6 SLES 1 -29.6625 20.3252 -16.6026 CTL2 8868 8872 8873 8874 - 1.800000e-018874 8872 H61 SLES 1 -29.3671 19.379 -17.132 HAL2 8871 0 0 0 9.000000e-028875 8873 H62 SLES 1 -30.2615 19.9986 -15.7104 HAL2 8871 0 0 0 9.000000e-028876 8874 C7 SLES 1 -28.4194 21.1063 -16.16 CTL2 8871 8875 8876 8877 - 1.800000e-018877 8875 H71 SLES 1 -27.7402 21.3905 -16.9982 HAL2 8874 0 0 0 9.000000e-028878 8876 H72 SLES 1 -28.6458 22.0175 -15.559 HAL2 8874 0 0 0 9.000000e-028879 8877 C8 SLES 1 -27.7822 20.0688 -15.3084 CTL2 8874 8878 8879 8880 - 1.800000e-018880 8878 H81 SLES 1 -27.6051 19.1776 -15.9736 HAL2 8877 0 0 0 9.000000e-028881 8879 H82 SLES 1 -28.5309 19.818 -14.504 HAL2 8877 0 0 0 9.000000e-028882 8880 C9 SLES 1 -26.4929 20.347 -14.6177 CTL2 8877 8881 8882 8883 - 1.800000e-018883 8881 H91 SLES 1 -25.6998 20.5799 -15.3629 HAL2 8880 0 0 0 9.000000e-028884 8882 H92 SLES 1 -26.6079 21.2076 -13.9211 HAL2 8880 0 0 0 9.000000e-028885 8883 C10 SLES 1 -26.2752 19.0161 -13.9008 CTL2 8880 8884 8885 8886 - 1.800000e-018886 8884 H10 SLES 1 -26.2421 18.1796 -14.6501 HAL2 8883 0 0 0 9.000000e-028887 8885 H10 SLES 1 -27.1431 18.8031 -13.2191 HAL2 8883 0 0 0 9.000000e-028888 8886 C11 SLES 1 -25.0289 18.9352 -13.0807 CTL2 8883 8887 8888 8889 - 1.800000e-018889 8887 H11 SLES 1 -24.1688 19.1253 -13.7642 HAL2 8886 0 0 0 9.000000e-028890 8888 H11 SLES 1 -25.0751 19.753 -12.3247 HAL2 8886 0 0 0 9.000000e-028891 8889 C12 SLES 1 -24.9429 17.5538 -12.4254 CTL3 8886 8890 8891 8892 - 2.700000e-018892 8890 H12 SLES 1 -24.0342 17.0249 -12.7727 HAL3 8889 0 0 0 9.000000e-028893 8891 H12 SLES 1 -24.947 17.6561 -11.3226 HAL3 8889 0 0 0 9.000000e-028894 8892 H12 SLES 1 -25.8123 16.9024 -12.6885 HAL3 8889 0 0 0 9.000000e-028895 8893 NA SLES 1 -46.0377 17.0095 -25.7699 NA 0 0 0 0 1 .000000e+008896 8894 S SLES 1 -45.5292 14.0266 -25.9025 SL 8895 8896 8897 8898 1.33 0000e+008897 8895 OS1 SLES 1 -44.5456 14.5349 -24.9311 OSL 8894 8899 0 0 - 2.800000e-018898 8896 OS2 SLES 1 -45.0305 14.9246 -26.9201 O2L 8894 0 0 0 - 6.500000e-018899 8897 OS3 SLES 1 -46.622 14.5436 -25.1115 O2L 8894 0 0 0 - 6.500000e-018900 8898 OS4 SLES 1 -45.3126 12.6113 -26.0116 O2L 8894 0 0 0 - 6.500000e-018901 8899 C2 SLES 1 -43.6197 13.8197 -24.2153 CC32A 8895 8900 8901 8902 - 1.100000e-018902 8900 H2A SLES 1 -42.9103 13.2877 -24.9028 HCA2 8899 0 0 0 9.000000e-028903 8901 H2B SLES 1 -44.1215 13.0771 -23.5399 HCA2 8899 0 0 0 9.000000e-028904 8902 C1 SLES 1 -42.9056 14.9285 -23.4127 CC32A 8899 8903 8904 8905 - 1.000000e-028905 8903 H1B SLES 1 -42.4366 15.6809 -24.0984 HCA2 8902 0 0 0 9.000000e-028906 8904 H1A SLES 1 -43.6237 15.4571 -22.7388 HCA2 8902 0 0 0 9.000000e-028907 8905 O1 SLES 1 -41.8704 14.572 -22.5551 OC30A 8902 8906 0 0 - 3.400000e-018908 8906 C2 SLES 1 -41.511 13.2046 -22.4795 CC32A 8905 8907 8908 8909 - 1.000000e-028909 8907 H2A SLES 1 -41.1908 12.8253 -23.492 HCA2 8906 0 0 0 9.000000e-028910 8908 H2B SLES 1 -42.3641 12.581 -22.1234 HCA2 8906 0 0 0 9.000000e-028911 8909 C1 SLES 1 -40.3174 13.6561 -21.5617 CC32A 8906 8910 8911 8912 - 1.000000e-028912 8910 H1B SLES 1 -39.5986 13.2541 -22.2878 HCA2 8909 0 0 0 9.000000e-028913 8911 H1A SLES 1 -40.9171 13.0368 -20.8006 HCA2 8909 0 0 0 9.000000e-028914 8912 O1 SLES 1 -39.4196 13.6834 -20.4823 OC30A 8909 8913 0 0 - 3.400000e-018915 8913 C1 SLES 1 -38.6794 12.5052 -20.196 CTL2 8912 8914 8915 8916 - 1.800000e-018916 8914 H11 SLES 1 -38.187 12.0048 -21.076 HAL2 8913 0 0 0 9.000000e-028917 8915 H12 SLES 1 -39.3362 11.7408 -19.7094 HAL2 8913 0 0 0 9.000000e-028918 8916 C2 SLES 1 -37.6522 13.0913 -19.2284 CTL2 8913 8917 8918 8919 - 1.800000e-018919 8917 H21 SLES 1 -36.9487 13.8128 -19.7093 HAL2 8916 0 0 0 9.000000e-028920 8918 H22 SLES 1 -38.1176 13.5778 -18.3367 HAL2 8916 0 0 0 9.000000e-028921 8919 C3 SLES 1 -36.9 11.902 -18.7857 CTL2 8916 8920 8921 8922 - 1.800000e-018922 8920 H31 SLES 1 -36.4665 11.4681 -19.7276 HAL2 8919 0 0 0 9.000000e-028923 8921 H32 SLES 1 -37.6716 11.2273 -18.322 HAL2 8919 0 0 0 9.000000e-028924 8922 C4 SLES 1 -35.7803 12.0139 -17.8023 CTL2 8919 8923 8924 8925 - 1.800000e-018925 8923 H41 SLES 1 -34.9623 12.6701 -18.1897 HAL2 8922 0 0 0 9.000000e-028926 8924 H42 SLES 1 -36.1316 12.4372 -16.8321 HAL2 8922 0 0 0 9.000000e-028927 8925 C5 SLES 1 -35.4052 10.5274 -17.7343 CTL2 8922 8926 8927 8928 - 1.800000e-018928 8926 H51 SLES 1 -35.1326 10.1433 -18.7533 HAL2 8925 0 0 0 9.000000e-028929 8927 H52 SLES 1 -36.287 9.91398 -17.4111 HAL2 8925 0 0 0 9.000000e-028930 8928 C6 SLES 1 -34.298 10.1579 -16.8451 CTL2 8925 8929 8930 8931 - 1.800000e-018931 8929 H61 SLES 1 -33.549 9.6164 -17.4844 HAL2 8928 0 0 0 9.000000e-028932 8930 H62 SLES 1 -34.7066 9.38649 -16.1384 HAL2 8928 0 0 0 9.000000e-028933 8931 C7 SLES 1 -33.6227 11.2951 -16.0691 CTL2 8928 8932 8933 8934 - 1.800000e-018934 8932 H71 SLES 1 -33.1264 12.0547 -16.7182 HAL2 8931 0 0 0 9.000000e-028935 8933 H72 SLES 1 -34.2982 11.8216 -15.3555 HAL2 8931 0 0 0 9.000000e-028936 8934 C8 SLES 1 -32.6053 10.5028 -15.3311 CTL2 8931 8935 8936 8937 - 1.800000e-018937 8935 H81 SLES 1 -31.979 9.98586 -16.1113 HAL2 8934 0 0 0 9.000000e-028938 8936 H82 SLES 1 -33.1767 9.74745 -14.72 HAL2 8934 0 0 0 9.000000e-028939 8937 C9 SLES 1 -31.6566 11.1733 -14.3999 CTL2 8934 8938 8939 8940 - 1.800000e-018940 8938 H91 SLES 1 -31.041 11.9198 -14.9498 HAL2 8937 0 0 0 9.000000e-028941 8939 H92 SLES 1 -32.2155 11.6856 -13.5848 HAL2 8937 0 0 0 9.000000e-028942 8940 C10 SLES 1 -30.8532 9.96835 -13.9151 CTL2 8937 8941 8942 8943 - 1.800000e-018943 8941 H10 SLES 1 -30.3746 9.45124 -14.7902 HAL2 8940 0 0 0 9.000000e-028944 8942 H10 SLES 1 -31.5403 9.21928 -13.4353 HAL2 8940 0 0 0 9.000000e-028945 8943 C11 SLES 1 -29.7728 10.2818 -12.9317 CTL2 8940 8944 8945 8946 - 1.800000e-018946 8944 H11 SLES 1 -29.0813 11.0082 -13.4187 HAL2 8943 0 0 0 9.000000e-028947 8945 H11 SLES 1 -30.2541 10.7753 -12.0557 HAL2 8943 0 0 0 9.000000e-028948 8946 C12 SLES 1 -29.0561 8.98736 -12.5373 CTL3 8943 8947 8948 8949 - 2.700000e-018949 8947 H12 SLES 1 -27.9877 9.04287 -12.8232 HAL3 8946 0 0 0 9.000000e-028950 8948 H12 SLES 1 -29.1685 8.80748 -11.4504 HAL3 8946 0 0 0 9.000000e-028951 8949 H12 SLES 1 -29.4793 8.0913 -13.0544 HAL3 8946 0 0 0 9.000000e-028952 8950 NA SLES 1 -49.3873 1.64418 -25.3182 NA 0 0 0 0 1 .000000e+008953 8951 S SLES 1 -47.5064 -0.607557 -26.0705 SL 8952 8953 8954 8955 1.33 0000e+008954 8952 OS1 SLES 1 -46.8673 0.0495181 -24.9176 OSL 8951 8956 0 0 - 2.800000e-018955 8953 OS2 SLES 1 -47.5268 0.637759 -26.805 O2L 8951 0 0 0 - 6.500000e-018956 8954 OS3 SLES 1 -48.694 -0.880562 -25.2945 O2L 8951 0 0 0 - 6.500000e-018957 8955 OS4 SLES 1 -46.6367 -1.67631 -26.4746 O2L 8951 0 0 0 - 6.500000e-018958 8956 C2 SLES 1 -45.6946 -0.293442 -24.2944 CC32A 8952 8957 8958 8959 - 1.100000e-018959 8957 H2A SLES 1 -44.8331 -0.239842 -25.0112 HCA2 8956 0 0 0 9.000000e-028960 8958 H2B SLES 1 -45.7599 -1.32482 -23.8568 HCA2 8956 0 0 0 9.000000e-028961 8959 C1 SLES 1 -45.5852 0.785828 -23.1959 CC32A 8956 8960 8961 8962 - 1.000000e-028962 8960 H1B SLES 1 -45.5536 1.81251 -23.6445 HCA2 8959 0 0 0 9.000000e-028963 8961 H1A SLES 1 -46.453 0.728524 -22.4939 HCA2 8959 0 0 0 9.000000e-028964 8962 O1 SLES 1 -44.4864 0.763312 -22.3436 OC30A 8959 8963 0 0 - 3.400000e-018965 8963 C2 SLES 1 -43.5104 -0.242648 -22.5438 CC32A 8962 8964 8965 8966 - 1.000000e-028966 8964 H2A SLES 1 -43.071 -0.164001 -23.5793 HCA2 8963 0 0 0 9.000000e-028967 8965 H2B SLES 1 -43.9482 -1.26114 -22.4233 HCA2 8963 0 0 0 9.000000e-028968 8966 C1 SLES 1 -42.6613 0.478817 -21.4351 CC32A 8963 8967 8968 8969 - 1.000000e-028969 8967 H1B SLES 1 -41.8551 0.65649 -22.159 HCA2 8966 0 0 0 9.000000e-028970 8968 H1A SLES 1 -42.8697 -0.515444 -20.8962 HCA2 8966 0 0 0 9.000000e-028971 8969 O1 SLES 1 -41.8627 0.661847 -20.2945 OC30A 8966 8970 0 0 - 3.400000e-018972 8970 C1 SLES 1 -40.6396 -0.0556061 -20.2104 CTL2 8969 8971 8972 8973 - 1.800000e-018973 8971 H11 SLES 1 -39.9878 -0.0306716 -21.128 HAL2 8970 0 0 0 9.000000e-028974 8972 H12 SLES 1 -40.8345 -1.13244 -19.9761 HAL2 8970 0 0 0 9.000000e-028975 8973 C2 SLES 1 -39.9998 0.688909 -19.0394 CTL2 8970 8974 8975 8976 - 1.800000e-018976 8974 H21 SLES 1 -39.7432 1.75006 -19.2733 HAL2 8973 0 0 0 9.000000e-028977 8975 H22 SLES 1 -40.6209 0.661981 -18.111 HAL2 8973 0 0 0 9.000000e-028978 8976 C3 SLES 1 -38.757 -0.0705721 -18.805 CTL2 8973 8977 8978 8979 - 1.800000e-018979 8977 H31 SLES 1 -38.1905 -0.00200562 -19.7734 HAL2 8976 0 0 0 9.000000e-028980 8978 H32 SLES 1 -39.0964 -1.1202 -18.5838 HAL2 8976 0 0 0 9.000000e-028981 8979 C4 SLES 1 -37.8074 0.312422 -17.7167 CTL2 8976 8980 8981 8982 - 1.800000e-018982 8980 H41 SLES 1 -37.4167 1.34952 -17.8635 HAL2 8979 0 0 0 9.000000e-028983 8981 H42 SLES 1 -38.2962 0.266707 -16.7153 HAL2 8979 0 0 0 9.000000e-028984 8982 C5 SLES 1 -36.7603 -0.785032 -17.9497 CTL2 8979 8983 8984 8985 - 1.800000e-018985 8983 H51 SLES 1 -36.3604 -0.731426 -18.9972 HAL2 8982 0 0 0 9.000000e-028986 8984 H52 SLES 1 -37.229 -1.8004 -17.8616 HAL2 8982 0 0 0 9.000000e-028987 8985 C6 SLES 1 -35.5914 -0.792326 -17.0625 CTL2 8982 8986 8987 8988 - 1.800000e-018988 8986 H61 SLES 1 -34.6896 -0.739757 -17.7309 HAL2 8985 0 0 0 9.000000e-028989 8987 H62 SLES 1 -35.5605 -1.81162 -16.592 HAL2 8985 0 0 0 9.000000e-028990 8988 C7 SLES 1 -35.5303 0.29928 -15.9872 CTL2 8985 8989 8990 8991 - 1.800000e-018991 8989 H71 SLES 1 -35.4774 1.33595 -16.396 HAL2 8988 0 0 0 9.000000e-028992 8990 H72 SLES 1 -36.3589 0.250531 -15.2431 HAL2 8988 0 0 0 9.000000e-028993 8991 C8 SLES 1 -34.2398 -0.0712677 -15.351 CTL2 8988 8992 8993 8994 - 1.800000e-018994 8992 H81 SLES 1 -33.4605 -0.0213796 -16.1624 HAL2 8991 0 0 0 9.000000e-028995 8993 H82 SLES 1 -34.3614 -1.13052 -14.9854 HAL2 8991 0 0 0 9.000000e-028996 8994 C9 SLES 1 -33.7105 0.716524 -14.2038 CTL2 8991 8995 8996 8997 - 1.800000e-018997 8995 H91 SLES 1 -33.5444 1.77424 -14.5077 HAL2 8994 0 0 0 9.000000e-028998 8996 H92 SLES 1 -34.4277 0.685989 -13.353 HAL2 8994 0 0 0 9.000000e-028999 8997 C10 SLES 1 -32.4142 -0.0423176 -13.9272 CTL2 8994 8998 8999 9000 - 1.800000e-019000 8998 H10 SLES 1 -31.7664 -0.0391775 -14.8451 HAL2 8997 0 0 0 9.000000e-029001 8999 H10 SLES 1 -32.6433 -1.11881 -13.6988 HAL2 8997 0 0 0 9.000000e-029002 9000 C11 SLES 1 -31.5962 0.492708 -12.7971 CTL2 8997 9001 9002 9003 - 1.800000e-019003 9001 H11 SLES 1 -31.3524 1.55386 -13.0372 HAL2 9000 0 0 0 9.000000e-029004 9002 H11 SLES 1 -32.2349 0.468091 -11.8839 HAL2 9000 0 0 0 9.000000e-029005 9003 C12 SLES 1 -30.3348 -0.360704 -12.6368 CTL3 9000 9004 9005 9006 - 2.700000e-019006 9004 H12 SLES 1 -29.4329 0.261463 -12.7964 HAL3 9003 0 0 0 9.000000e-029007 9005 H12 SLES 1 -30.3208 -0.832578 -11.6351 HAL3 9003 0 0 0 9.000000e-029008 9006 H12 SLES 1 -30.2855 -1.19245 -13.3819 HAL3 9003 0 0 0 9.000000e-029009 9007 NA SLES 1 -47.5925 -14.2263 -24.9638 NA 0 0 0 0 1 .000000e+009010 9008 S SLES 1 -44.9546 -15.055 -26.2004 SL 9009 9010 9011 9012 1.33 0000e+009011 9009 OS1 SLES 1 -44.5925 -14.451 -24.9069 OSL 9008 9013 0 0 - 2.800000e-019012 9010 OS2 SLES 1 -45.6335 -13.845 -26.6074 O2L 9008 0 0 0 - 6.500000e-019013 9011 OS3 SLES 1 -45.7893 -16.0342 -25.5433 O2L 9008 0 0 0 - 6.500000e-019014 9012 OS4 SLES 1 -43.7275 -15.4488 -26.8336 O2L 9008 0 0 0 - 6.500000e-019015 9013 C2 SLES 1 -43.3422 -14.3165 -24.3592 CC32A 9009 9014 9015 9016 - 1.100000e-019016 9014 H2A SLES 1 -42.6835 -13.6937 -25.0204 HCA2 9013 0 0 0 9.000000e-029017 9015 H2B SLES 1 -42.8688 -15.3197 -24.1894 HCA2 9013 0 0 0 9.000000e-029018 9016 C1 SLES 1 -43.6487 -13.5983 -23.0273 CC32A 9013 9017 9018 9019 - 1.000000e-029019 9017 H1B SLES 1 -44.1505 -12.6128 -23.2097 HCA2 9016 0 0 0 9.000000e-029020 9018 H1A SLES 1 -44.3126 -14.2239 -22.3816 HCA2 9016 0 0 0 9.000000e-029021 9019 O1 SLES 1 -42.5922 -13.2799 -22.1808 OC30A 9016 9020 0 0 - 3.400000e-019022 9020 C2 SLES 1 -41.2815 -13.6153 -22.5985 CC32A 9019 9021 9022 9023 - 1.000000e-029023 9021 H2A SLES 1 -41.0357 -13.103 -23.5724 HCA2 9020 0 0 0 9.000000e-029024 9022 H2B SLES 1 -41.1716 -14.7157 -22.7417 HCA2 9020 0 0 0 9.000000e-029025 9023 C1 SLES 1 -40.7702 -12.8456 -21.3269 CC32A 9020 9024 9025 9026 - 1.000000e-029026 9024 H1B SLES 1 -40.2193 -12.1428 -21.966 HCA2 9023 0 0 0 9.000000e-029027 9025 H1A SLES 1 -40.4297 -13.9093 -21.0533 HCA2 9023 0 0 0 9.000000e-029028 9026 O1 SLES 1 -40.0454 -12.5631 -20.1578 OC30A 9023 9027 0 0 - 3.400000e-019029 9027 C1 SLES 1 -38.6268 -12.5994 -20.2233 CTL2 9026 9028 9029 9030 - 1.800000e-019030 9028 H11 SLES 1 -38.158 -12.0567 -21.091 HAL2 9027 0 0 0 9.000000e-029031 9029 H12 SLES 1 -38.2654 -13.6577 -20.2647 HAL2 9027 0 0 0 9.000000e-029032 9030 C2 SLES 1 -38.3036 -11.9252 -18.8906 CTL2 9027 9031 9032 9033 - 1.800000e-019033 9031 H21 SLES 1 -38.6036 -10.8504 -18.8512 HAL2 9030 0 0 0 9.000000e-029034 9032 H22 SLES 1 -38.7436 -12.4572 -18.0122 HAL2 9030 0 0 0 9.000000e-029035 9033 C3 SLES 1 -36.8332 -12.0215 -18.8203 CTL2 9030 9034 9035 9036 - 1.800000e-019036 9034 H31 SLES 1 -36.4646 -11.4715 -19.7286 HAL2 9033 0 0 0 9.000000e-029037 9035 H32 SLES 1 -36.6124 -13.1235 -18.8712 HAL2 9033 0 0 0 9.000000e-029038 9036 C4 SLES 1 -36.0758 -11.4851 -17.6492 CTL2 9033 9037 9038 9039 - 1.800000e-019039 9037 H41 SLES 1 -36.2385 -10.3857 -17.528 HAL2 9036 0 0 0 9.000000e-029040 9038 H42 SLES 1 -36.3838 -11.9857 -16.7013 HAL2 9036 0 0 0 9.000000e-029041 9039 C5 SLES 1 -34.6629 -11.8563 -18.1193 CTL2 9036 9040 9041 9042 - 1.800000e-019042 9040 H51 SLES 1 -34.441 -11.3815 -19.1119 HAL2 9039 0 0 0 9.000000e-029043 9041 H52 SLES 1 -34.5846 -12.9616 -18.2939 HAL2 9039 0 0 0 9.000000e-029044 9042 C6 SLES 1 -33.5488 -11.4991 -17.2336 CTL2 9039 9043 9044 9045 - 1.800000e-019045 9043 H61 SLES 1 -32.8495 -10.8686 -17.8471 HAL2 9042 0 0 0 9.000000e-029046 9044 H62 SLES 1 -32.9935 -12.4531 -17.0267 HAL2 9042 0 0 0 9.000000e-029047 9045 C7 SLES 1 -33.9057 -10.7885 -15.9224 CTL2 9042 9046 9047 9048 - 1.800000e-019048 9046 H71 SLES 1 -34.3896 -9.79325 -16.0632 HAL2 9045 0 0 0 9.000000e-029049 9047 H72 SLES 1 -34.5351 -11.3975 -15.2327 HAL2 9045 0 0 0 9.000000e-029050 9048 C8 SLES 1 -32.5379 -10.6234 -15.3661 CTL2 9045 9049 9050 9051 - 1.800000e-019051 9049 H81 SLES 1 -31.9588 -10.0221 -16.1218 HAL2 9048 0 0 0 9.000000e-029052 9050 H82 SLES 1 -32.1076 -11.6611 -15.2743 HAL2 9048 0 0 0 9.000000e-029053 9051 C9 SLES 1 -32.3342 -9.96043 -14.0486 CTL2 9048 9052 9053 9054 - 1.800000e-019054 9052 H91 SLES 1 -32.7187 -8.91648 -14.0799 HAL2 9051 0 0 0 9.000000e-029055 9053 H92 SLES 1 -32.8642 -10.5244 -13.2484 HAL2 9051 0 0 0 9.000000e-029056 9054 C10 SLES 1 -30.8131 -10.04 -13.9358 CTL2 9051 9055 9056 9057 - 1.800000e-019057 9055 H10 SLES 1 -30.3375 -9.51755 -14.8094 HAL2 9054 0 0 0 9.000000e-029058 9056 H10 SLES 1 -30.4823 -11.1132 -13.9838 HAL2 9054 0 0 0 9.000000e-029059 9057 C11 SLES 1 -30.2387 -9.4478 -12.6901 CTL2 9054 9058 9059 9060 - 1.800000e-019060 9058 H11 SLES 1 -30.5506 -8.3779 -12.6568 HAL2 9057 0 0 0 9.000000e-029061 9059 H11 SLES 1 -30.6967 -9.98295 -11.8262 HAL2 9057 0 0 0 9.000000e-029062 9060 C12 SLES 1 -28.715 -9.59794 -12.7142 CTL3 9057 9061 9062 9063 - 2.700000e-019063 9061 H12 SLES 1 -28.235 -8.60028 -12.695 HAL3 9060 0 0 0 9.000000e-029064 9062 H12 SLES 1 -28.3812 -10.2168 -11.8586 HAL3 9060 0 0 0 9.000000e-029065 9063 H12 SLES 1 -28.3517 -10.1098 -13.6391 HAL3 9060 0 0 0 9.000000e-029066 9064 NA SLES 1 -40.6627 -28.8086 -24.7412 NA 0 0 0 0 1 .000000e+009067 9065 S SLES 1 -38.184 -27.9939 -26.2796 SL 9066 9067 9068 9069 1.33 0000e+009068 9066 OS1 SLES 1 -37.9387 -27.5404 -24.8999 OSL 9065 9070 0 0 - 2.800000e-019069 9067 OS2 SLES 1 -39.4039 -27.2206 -26.3469 O2L 9065 0 0 0 - 6.500000e-019070 9068 OS3 SLES 1 -38.3476 -29.3583 -25.8337 O2L 9065 0 0 0 - 6.500000e-019071 9069 OS4 SLES 1 -37.0365 -27.6113 -27.0533 O2L 9065 0 0 0 - 6.500000e-019072 9070 C2 SLES 1 -36.824 -26.9141 -24.4034 CC32A 9066 9071 9072 9073 - 1.100000e-019073 9071 H2A SLES 1 -36.6486 -25.9388 -24.9296 HCA2 9070 0 0 0 9.000000e-029074 9072 H2B SLES 1 -35.9178 -27.5682 -24.5053 HCA2 9070 0 0 0 9.000000e-029075 9073 C1 SLES 1 -37.2074 -26.6981 -22.9235 CC32A 9070 9074 9075 9076 - 1.000000e-029076 9074 H1B SLES 1 -38.1321 -26.0707 -22.8366 HCA2 9073 0 0 0 9.000000e-029077 9075 H1A SLES 1 -37.3886 -27.6756 -22.4127 HCA2 9073 0 0 0 9.000000e-029078 9076 O1 SLES 1 -36.298 -26.0653 -22.0828 OC30A 9073 9077 0 0 - 3.400000e-019079 9077 C2 SLES 1 -35.0698 -25.6318 -22.6381 CC32A 9076 9078 9079 9080 - 1.000000e-029080 9078 H2A SLES 1 -35.2532 -24.8951 -23.4719 HCA2 9077 0 0 0 9.000000e-029081 9079 H2B SLES 1 -34.4857 -26.489 -23.0474 HCA2 9077 0 0 0 9.000000e-029082 9080 C1 SLES 1 -34.7753 -24.9599 -21.2478 CC32A 9077 9081 9082 9083 - 1.000000e-029083 9081 H1B SLES 1 -34.7272 -23.9734 -21.7276 HCA2 9080 0 0 0 9.000000e-029084 9082 H1A SLES 1 -33.9397 -25.7498 -21.2566 HCA2 9080 0 0 0 9.000000e-029085 9083 O1 SLES 1 -34.0853 -24.5797 -20.0854 OC30A 9080 9084 0 0 - 3.400000e-019086 9084 C1 SLES 1 -32.8448 -23.9034 -20.2332 CTL2 9083 9085 9086 9087 - 1.800000e-019087 9085 H11 SLES 1 -32.831 -23.0513 -20.9687 HAL2 9084 0 0 0 9.000000e-029088 9086 H12 SLES 1 -32.0448 -24.6203 -20.5471 HAL2 9084 0 0 0 9.000000e-029089 9087 C2 SLES 1 -32.6596 -23.4164 -18.7967 CTL2 9084 9088 9089 9090 - 1.800000e-019090 9088 H21 SLES 1 -33.4141 -22.655 -18.484 HAL2 9087 0 0 0 9.000000e-029091 9089 H22 SLES 1 -32.6516 -24.2473 -18.0498 HAL2 9087 0 0 0 9.000000e-029092 9090 C3 SLES 1 -31.324 -22.7909 -18.83 CTL2 9087 9091 9092 9093 - 1.800000e-019093 9091 H31 SLES 1 -31.4074 -21.9742 -19.5977 HAL2 9090 0 0 0 9.000000e-029094 9092 H32 SLES 1 -30.6276 -23.6122 -19.1562 HAL2 9090 0 0 0 9.000000e-029095 9093 C4 SLES 1 -30.7233 -22.1788 -17.6063 CTL2 9090 9094 9095 9096 - 1.800000e-019096 9094 H41 SLES 1 -31.3564 -21.3442 -17.2159 HAL2 9093 0 0 0 9.000000e-029097 9095 H42 SLES 1 -30.6038 -22.9311 -16.7917 HAL2 9093 0 0 0 9.000000e-029098 9096 C5 SLES 1 -29.3981 -21.716 -18.2265 CTL2 9093 9097 9098 9099 - 1.800000e-019099 9097 H51 SLES 1 -29.5878 -21.0196 -19.0862 HAL2 9096 0 0 0 9.000000e-029100 9098 H52 SLES 1 -28.8443 -22.5871 -18.6657 HAL2 9096 0 0 0 9.000000e-029101 9099 C6 SLES 1 -28.4503 -21.0291 -17.3415 CTL2 9096 9100 9101 9102 - 1.800000e-019102 9100 H61 SLES 1 -28.2352 -20.0361 -17.8219 HAL2 9099 0 0 0 9.000000e-029103 9101 H62 SLES 1 -27.4896 -21.6079 -17.4 HAL2 9099 0 0 0 9.000000e-029104 9102 C7 SLES 1 -28.8773 -20.8405 -15.8809 CTL2 9099 9103 9104 9105 - 1.800000e-019105 9103 H71 SLES 1 -29.7842 -20.2037 -15.7522 HAL2 9102 0 0 0 9.000000e-029106 9104 H72 SLES 1 -29.0291 -21.7949 -15.3253 HAL2 9102 0 0 0 9.000000e-029107 9105 C8 SLES 1 -27.6732 -20.1321 -15.3749 CTL2 9102 9106 9107 9108 - 1.800000e-019108 9106 H81 SLES 1 -27.5724 -19.1966 -15.9936 HAL2 9105 0 0 0 9.000000e-029109 9107 H82 SLES 1 -26.8012 -20.8223 -15.5584 HAL2 9105 0 0 0 9.000000e-029110 9108 C9 SLES 1 -27.5892 -19.7105 -13.9494 CTL2 9105 9109 9110 9111 - 1.800000e-019111 9109 H91 SLES 1 -28.4145 -19.0037 -13.7082 HAL2 9108 0 0 0 9.000000e-029112 9110 H92 SLES 1 -27.6575 -20.5982 -13.2813 HAL2 9108 0 0 0 9.000000e-029113 9111 C10 SLES 1 -26.2104 -19.0537 -13.9403 CTL2 9108 9112 9113 9114 - 1.800000e-019114 9112 H10 SLES 1 -26.1822 -18.2144 -14.6867 HAL2 9111 0 0 0 9.000000e-029115 9113 H10 SLES 1 -25.4313 -19.797 -14.2625 HAL2 9111 0 0 0 9.000000e-029116 9114 C11 SLES 1 -25.7827 -18.4975 -12.6211 CTL2 9111 9115 9116 9117 - 1.800000e-019117 9115 H11 SLES 1 -26.5463 -17.7449 -12.315 HAL2 9114 0 0 0 9.000000e-029118 9116 H11 SLES 1 -25.7913 -19.3372 -11.8881 HAL2 9114 0 0 0 9.000000e-029119 9117 C12 SLES 1 -24.391 -17.8743 -12.7618 CTL3 9114 9118 9119 9120 - 2.700000e-019120 9118 H12 SLES 1 -24.4343 -16.7926 -12.5288 HAL3 9117 0 0 0 9.000000e-029121 9119 H12 SLES 1 -23.6731 -18.3958 -12.0991 HAL3 9117 0 0 0 9.000000e-029122 9120 H12 SLES 1 -23.9878 -17.9618 -13.8006 HAL3 9117 0 0 0 9.000000e-029123 9121 NA SLES 1 -29.2829 -40.3834 -24.6723 NA 0 0 0 0 1 .000000e+009124 9122 S SLES 1 -27.8517 -38.2677 -26.3002 SL 9123 9124 9125 9126 1.33 0000e+009125 9123 OS1 SLES 1 -27.5572 -37.9288 -24.8975 OSL 9122 9127 0 0 - 2.800000e-019126 9124 OS2 SLES 1 -29.2737 -38.1949 -26.0489 O2L 9122 0 0 0 - 6.500000e-019127 9125 OS3 SLES 1 -27.2673 -39.5789 -26.1372 O2L 9122 0 0 0 - 6.500000e-019128 9126 OS4 SLES 1 -27.2046 -37.2759 -27.1123 O2L 9122 0 0 0 - 6.500000e-019129 9127 C2 SLES 1 -26.7816 -36.9021 -24.4226 CC32A 9123 9128 9129 9130 - 1.100000e-019130 9128 H2A SLES 1 -27.1929 -35.9101 -24.7476 HCA2 9127 0 0 0 9.000000e-029131 9129 H2B SLES 1 -25.7206 -37.0058 -24.7735 HCA2 9127 0 0 0 9.000000e-029132 9130 C1 SLES 1 -26.8974 -37.09 -22.8946 CC32A 9127 9131 9132 9133 - 1.000000e-029133 9131 H1B SLES 1 -27.9651 -37.0166 -22.5616 HCA2 9130 0 0 0 9.000000e-029134 9132 H1A SLES 1 -26.4933 -38.0848 -22.5843 HCA2 9130 0 0 0 9.000000e-029135 9133 O1 SLES 1 -26.2284 -36.202 -22.0592 OC30A 9130 9134 0 0 - 3.400000e-019136 9134 C2 SLES 1 -25.4891 -35.1538 -22.6588 CC32A 9133 9135 9136 9137 - 1.000000e-029137 9135 H2A SLES 1 -26.1644 -34.5057 -23.2877 HCA2 9134 0 0 0 9.000000e-029138 9136 H2B SLES 1 -24.6769 -35.5528 -23.3104 HCA2 9134 0 0 0 9.000000e-029139 9137 C1 SLES 1 -25.251 -34.6039 -21.2056 CC32A 9134 9138 9139 9140 - 1.000000e-029140 9138 H1B SLES 1 -25.7673 -33.6708 -21.4672 HCA2 9137 0 0 0 9.000000e-029141 9139 H1A SLES 1 -24.1683 -34.871 -21.4862 HCA2 9137 0 0 0 9.000000e-029142 9140 O1 SLES 1 -24.5859 -34.0817 -20.0845 OC30A 9137 9141 0 0 - 3.400000e-019143 9141 C1 SLES 1 -23.8617 -32.8694 -20.2392 CTL2 9140 9142 9143 9144 - 1.800000e-019144 9142 H11 SLES 1 -24.3997 -32.0369 -20.7729 HAL2 9141 0 0 0 9.000000e-029145 9143 H12 SLES 1 -22.9082 -33.0531 -20.7956 HAL2 9141 0 0 0 9.000000e-029146 9144 C2 SLES 1 -23.6225 -32.5383 -18.7668 CTL2 9141 9145 9146 9147 - 1.800000e-019147 9145 H21 SLES 1 -24.5576 -32.2937 -18.2079 HAL2 9144 0 0 0 9.000000e-029148 9146 H22 SLES 1 -23.073 -33.3431 -18.2202 HAL2 9144 0 0 0 9.000000e-029149 9147 C3 SLES 1 -22.7686 -31.3372 -18.8333 CTL2 9144 9148 9149 9150 - 1.800000e-019150 9148 H31 SLES 1 -23.3808 -30.5791 -19.3936 HAL2 9147 0 0 0 9.000000e-029151 9149 H32 SLES 1 -21.8587 -31.6602 -19.4107 HAL2 9147 0 0 0 9.000000e-029152 9150 C4 SLES 1 -22.2746 -30.6669 -17.5924 CTL2 9147 9151 9152 9153 - 1.800000e-019153 9151 H41 SLES 1 -23.1225 -30.3092 -16.9577 HAL2 9150 0 0 0 9.000000e-029154 9152 H42 SLES 1 -21.6511 -31.3575 -16.9775 HAL2 9150 0 0 0 9.000000e-029155 9153 C5 SLES 1 -21.479 -29.5376 -18.2609 CTL2 9150 9154 9155 9156 - 1.800000e-019156 9154 H51 SLES 1 -22.1467 -28.9241 -18.9226 HAL2 9153 0 0 0 9.000000e-029157 9155 H52 SLES 1 -20.6929 -29.9598 -18.9407 HAL2 9153 0 0 0 9.000000e-029158 9156 C6 SLES 1 -20.7926 -28.5895 -17.3759 CTL2 9153 9157 9158 9159 - 1.800000e-019159 9157 H61 SLES 1 -21.1683 -27.5685 -17.6575 HAL2 9156 0 0 0 9.000000e-029160 9158 H62 SLES 1 -19.7104 -28.6071 -17.6755 HAL2 9156 0 0 0 9.000000e-029161 9159 C7 SLES 1 -20.9374 -28.8202 -15.8668 CTL2 9156 9160 9161 9162 - 1.800000e-019162 9160 H71 SLES 1 -21.9853 -28.7351 -15.4936 HAL2 9159 0 0 0 9.000000e-029163 9161 H72 SLES 1 -20.5091 -29.7863 -15.5119 HAL2 9159 0 0 0 9.000000e-029164 9162 C8 SLES 1 -20.1207 -27.68 -15.3765 CTL2 9159 9163 9164 9165 - 1.800000e-019165 9163 H81 SLES 1 -20.5975 -26.7474 -15.7902 HAL2 9162 0 0 0 9.000000e-029166 9164 H82 SLES 1 -19.0898 -27.8214 -15.8099 HAL2 9162 0 0 0 9.000000e-029167 9165 C9 SLES 1 -19.9407 -27.4536 -13.916 CTL2 9162 9166 9167 9168 - 1.800000e-019168 9166 H91 SLES 1 -20.9267 -27.2821 -13.4291 HAL2 9165 0 0 0 9.000000e-029169 9167 H92 SLES 1 -19.4474 -28.3352 -13.4483 HAL2 9165 0 0 0 9.000000e-029170 9168 C10 SLES 1 -19.0551 -26.2096 -13.9401 CTL2 9165 9169 9170 9171 - 1.800000e-019171 9169 H10 SLES 1 -19.5771 -25.3797 -14.4889 HAL2 9168 0 0 0 9.000000e-029172 9170 H10 SLES 1 -18.1091 -26.4252 -14.5075 HAL2 9168 0 0 0 9.000000e-029173 9171 C11 SLES 1 -18.664 -25.6847 -12.597 CTL2 9168 9172 9173 9174 - 1.800000e-019174 9172 H11 SLES 1 -19.6042 -25.4514 -12.0451 HAL2 9171 0 0 0 9.000000e-029175 9173 H11 SLES 1 -18.1277 -26.5035 -12.0637 HAL2 9171 0 0 0 9.000000e-029176 9174 C12 SLES 1 -17.7836 -24.4445 -12.7749 CTL3 9171 9175 9176 9177 - 2.700000e-019177 9175 H12 SLES 1 -18.2712 -23.5636 -12.3142 HAL3 9174 0 0 0 9.000000e-029178 9176 H12 SLES 1 -16.7838 -24.6224 -12.3331 HAL3 9174 0 0 0 9.000000e-029179 9177 H12 SLES 1 -17.6164 -24.1912 -13.8507 HAL3 9174 0 0 0 9.000000e-029180 9178 NA SLES 1 -14.7438 -47.5855 -24.7639 NA 0 0 0 0 1 .000000e+009181 9179 S SLES 1 -14.8999 -44.9567 -26.2603 SL 9180 9181 9182 9183 1.33 0000e+009182 9180 OS1 SLES 1 -14.4693 -44.5922 -24.8998 OSL 9179 9184 0 0 - 2.800000e-019183 9181 OS2 SLES 1 -16.0849 -45.6035 -25.7426 O2L 9179 0 0 0 - 6.500000e-019184 9182 OS3 SLES 1 -13.753 -45.8199 -26.4241 O2L 9179 0 0 0 - 6.500000e-019185 9183 OS4 SLES 1 -15.0052 -43.7334 -27.0049 O2L 9179 0 0 0 - 6.500000e-019186 9184 C2 SLES 1 -14.1718 -43.3441 -24.4151 CC32A 9180 9185 9186 9187 - 1.100000e-019187 9185 H2A SLES 1 -15.0618 -42.6652 -24.4922 HCA2 9184 0 0 0 9.000000e-029188 9186 H2B SLES 1 -13.304 -42.8957 -24.9677 HCA2 9184 0 0 0 9.000000e-029189 9187 C1 SLES 1 -13.8156 -43.6458 -22.9434 CC32A 9184 9188 9189 9190 - 1.000000e-029190 9188 H1B SLES 1 -14.6794 -44.1228 -22.4117 HCA2 9187 0 0 0 9.000000e-029191 9189 H1A SLES 1 -12.9341 -44.3299 -22.8796 HCA2 9187 0 0 0 9.000000e-029192 9190 O1 SLES 1 -13.4579 -42.5898 -22.1121 OC30A 9187 9191 0 0 - 3.400000e-019193 9191 C2 SLES 1 -13.4597 -41.2836 -22.6586 CC32A 9190 9192 9193 9194 - 1.000000e-029194 9192 H2A SLES 1 -14.4877 -41.0171 -23.0377 HCA2 9191 0 0 0 9.000000e-029195 9193 H2B SLES 1 -12.7388 -41.198 -23.5051 HCA2 9191 0 0 0 9.000000e-029196 9194 C1 SLES 1 -13.1632 -40.7659 -21.2043 CC32A 9191 9195 9196 9197 - 1.000000e-029197 9195 H1B SLES 1 -14.0999 -40.1931 -21.2103 HCA2 9194 0 0 0 9.000000e-029198 9196 H1A SLES 1 -12.184 -40.4528 -21.7195 HCA2 9194 0 0 0 9.000000e-029199 9197 O1 SLES 1 -12.5698 -40.0453 -20.1552 OC30A 9194 9198 0 0 - 3.400000e-019200 9198 C1 SLES 1 -12.5539 -38.6275 -20.2408 CTL2 9197 9199 9200 9201 - 1.800000e-019201 9199 H11 SLES 1 -13.5277 -38.1383 -20.523 HAL2 9198 0 0 0 9.000000e-029202 9200 H12 SLES 1 -11.7899 -38.2904 -20.9859 HAL2 9198 0 0 0 9.000000e-029203 9201 C2 SLES 1 -12.15 -38.3006 -18.8038 CTL2 9198 9202 9203 9204 - 1.800000e-019204 9202 H21 SLES 1 -12.926 -38.5758 -18.0497 HAL2 9201 0 0 0 9.000000e-029205 9203 H22 SLES 1 -11.1761 -38.7607 -18.5068 HAL2 9201 0 0 0 9.000000e-029206 9204 C3 SLES 1 -11.9971 -36.8335 -18.8297 CTL2 9201 9205 9206 9207 - 1.800000e-019207 9205 H31 SLES 1 -13.006 -36.4441 -19.1361 HAL2 9204 0 0 0 9.000000e-029208 9206 H32 SLES 1 -11.2105 -36.638 -19.6099 HAL2 9204 0 0 0 9.000000e-029209 9207 C4 SLES 1 -11.5896 -36.0744 -17.6088 CTL2 9204 9208 9209 9210 - 1.800000e-019210 9208 H41 SLES 1 -12.3258 -36.2125 -16.7789 HAL2 9207 0 0 0 9.000000e-029211 9209 H42 SLES 1 -10.5893 -36.4025 -17.2405 HAL2 9207 0 0 0 9.000000e-029212 9210 C5 SLES 1 -11.5978 -34.6663 -18.2191 CTL2 9207 9211 9212 9213 - 1.800000e-019213 9211 H51 SLES 1 -12.6111 -34.4245 -18.6371 HAL2 9210 0 0 0 9.000000e-029214 9212 H52 SLES 1 -10.8951 -34.6122 -19.0918 HAL2 9210 0 0 0 9.000000e-029215 9213 C6 SLES 1 -11.2411 -33.5522 -17.3332 CTL2 9210 9214 9215 9216 - 1.800000e-019216 9214 H61 SLES 1 -12.1038 -32.833 -17.3702 HAL2 9213 0 0 0 9.000000e-029217 9215 H62 SLES 1 -10.3829 -33.0212 -17.826 HAL2 9213 0 0 0 9.000000e-029218 9216 C7 SLES 1 -10.8943 -33.9043 -15.8815 CTL2 9213 9217 9218 9219 - 1.800000e-019219 9217 H71 SLES 1 -11.737 -34.3636 -15.3126 HAL2 9216 0 0 0 9.000000e-029220 9218 H72 SLES 1 -9.99477 -34.5539 -15.7743 HAL2 9216 0 0 0 9.000000e-029221 9219 C8 SLES 1 -10.6109 -32.5381 -15.3709 CTL2 9216 9220 9221 9222 - 1.800000e-019222 9220 H81 SLES 1 -11.5503 -31.9383 -15.5317 HAL2 9219 0 0 0 9.000000e-029223 9221 H82 SLES 1 -9.77105 -32.133 -16.0041 HAL2 9219 0 0 0 9.000000e-029224 9222 C9 SLES 1 -10.2116 -32.3308 -13.9516 CTL2 9219 9223 9224 9225 - 1.800000e-019225 9223 H91 SLES 1 -11.0144 -32.6906 -13.2698 HAL2 9222 0 0 0 9.000000e-029226 9224 H92 SLES 1 -9.26889 -32.881 -13.7332 HAL2 9222 0 0 0 9.000000e-029227 9225 C10 SLES 1 -10.0415 -30.8131 -13.9352 CTL2 9222 9226 9227 9228 - 1.800000e-019228 9226 H10 SLES 1 -11.0042 -30.3176 -14.2354 HAL2 9225 0 0 0 9.000000e-029229 9227 H10 SLES 1 -9.2717 -30.507 -14.6949 HAL2 9225 0 0 0 9.000000e-029230 9228 C11 SLES 1 -9.62945 -30.2363 -12.62 CTL2 9225 9229 9230 9231 - 1.800000e-019231 9229 H11 SLES 1 -10.4063 -30.5234 -11.8736 HAL2 9228 0 0 0 9.000000e-029232 9230 H11 SLES 1 -8.66348 -30.7144 -12.3357 HAL2 9228 0 0 0 9.000000e-029233 9231 C12 SLES 1 -9.49898 -28.7163 -12.7524 CTL3 9228 9232 9233 9234 - 2.700000e-019234 9232 H12 SLES 1 -10.2134 -28.2134 -12.0721 HAL3 9231 0 0 0 9.000000e-029235 9233 H12 SLES 1 -8.45818 -28.4048 -12.5377 HAL3 9231 0 0 0 9.000000e-029236 9234 H12 SLES 1 -9.73307 -28.3568 -13.7845 HAL3 9231 0 0 0 9.000000e-029237 9235 NA SLES 1 1.2519 -49.6261 -25.007 NA 0 0 0 0 1 .000000e+009238 9236 S SLES 1 -0.48998 -47.4348 -26.1638 SL 9237 9238 9239 9240 1.33 0000e+009239 9237 OS1 SLES 1 0.0356554 -46.8758 -24.9066 OSL 9236 9241 0 0 - 2.800000e-019240 9238 OS2 SLES 1 -1.06018 -48.5605 -25.4579 O2L 9236 0 0 0 - 6.500000e-019241 9239 OS3 SLES 1 0.848698 -47.6413 -26.6664 O2L 9236 0 0 0 - 6.500000e-019242 9240 OS4 SLES 1 -1.34 -46.4319 -26.7414 O2L 9236 0 0 0 - 6.500000e-019243 9241 C2 SLES 1 -0.183811 -45.6279 -24.3814 CC32A 9237 9242 9243 9244 - 1.100000e-019244 9242 H2A SLES 1 -1.27696 -45.4645 -24.1884 HCA2 9241 0 0 0 9.000000e-029245 9243 H2B SLES 1 0.203164 -44.8298 -25.069 HCA2 9241 0 0 0 9.000000e-029246 9244 C1 SLES 1 0.621073 -45.6855 -23.0652 CC32A 9241 9245 9246 9247 - 1.000000e-029247 9245 H1B SLES 1 0.245908 -46.5072 -22.4016 HCA2 9244 0 0 0 9.000000e-029248 9246 H1A SLES 1 1.7063 -45.8578 -23.2696 HCA2 9244 0 0 0 9.000000e-029249 9247 O1 SLES 1 0.6284 -44.5686 -22.2365 OC30A 9244 9248 0 0 - 3.400000e-019250 9248 C2 SLES 1 -0.124691 -43.4385 -22.6374 CC32A 9247 9249 9250 9251 - 1.000000e-029251 9249 H2A SLES 1 -1.21367 -43.71 -22.7466 HCA2 9248 0 0 0 9.000000e-029252 9250 H2B SLES 1 0.23748 -43.0359 -23.6122 HCA2 9248 0 0 0 9.000000e-029253 9251 C1 SLES 1 0.238069 -42.8078 -21.2441 CC32A 9248 9252 9253 9254 - 1.000000e-029254 9252 H1B SLES 1 -0.827066 -42.7582 -20.982 HCA2 9251 0 0 0 9.000000e-029255 9253 H1A SLES 1 0.792486 -42.0735 -21.9338 HCA2 9251 0 0 0 9.000000e-029256 9254 O1 SLES 1 0.656792 -41.8658 -20.2905 OC30A 9251 9255 0 0 - 3.400000e-019257 9255 C1 SLES 1 -0.0211082 -40.6186 -20.2378 CTL2 9254 9256 9257 9258 - 1.800000e-019258 9256 H11 SLES 1 -1.1458 -40.6666 -20.2433 HAL2 9255 0 0 0 9.000000e-029259 9257 H12 SLES 1 0.28348 -39.9725 -21.0994 HAL2 9255 0 0 0 9.000000e-029260 9258 C2 SLES 1 0.518503 -40.1036 -18.9042 CTL2 9255 9259 9260 9261 - 1.800000e-019261 9259 H21 SLES 1 0.176663 -40.701 -18.0251 HAL2 9258 0 0 0 9.000000e-029262 9260 H22 SLES 1 1.63312 -40.0297 -18.8815 HAL2 9258 0 0 0 9.000000e-029263 9261 C3 SLES 1 -0.0521241 -38.7458 -18.8197 CTL2 9258 9262 9263 9264 - 1.800000e-019264 9262 H31 SLES 1 -1.16526 -38.8986 -18.8505 HAL2 9261 0 0 0 9.000000e-029265 9263 H32 SLES 1 0.329941 -38.2136 -19.7343 HAL2 9261 0 0 0 9.000000e-029266 9264 C4 SLES 1 0.233177 -37.8556 -17.6538 CTL2 9261 9265 9266 9267 - 1.800000e-019267 9265 H41 SLES 1 -0.121143 -38.312 -16.6968 HAL2 9264 0 0 0 9.000000e-029268 9266 H42 SLES 1 1.32523 -37.6518 -17.5551 HAL2 9264 0 0 0 9.000000e-029269 9267 C5 SLES 1 -0.589096 -36.641 -18.1051 CTL2 9264 9268 9269 9270 - 1.800000e-019270 9268 H51 SLES 1 -1.66356 -36.9278 -18.2577 HAL2 9267 0 0 0 9.000000e-029271 9269 H52 SLES 1 -0.233893 -36.2753 -19.1044 HAL2 9267 0 0 0 9.000000e-029272 9270 C6 SLES 1 -0.596769 -35.4724 -17.2176 CTL2 9267 9271 9272 9273 - 1.800000e-019273 9271 H61 SLES 1 -1.67606 -35.2596 -16.9881 HAL2 9270 0 0 0 9.000000e-029274 9272 H62 SLES 1 -0.242321 -34.6051 -17.837 HAL2 9270 0 0 0 9.000000e-029275 9273 C7 SLES 1 0.219079 -35.5791 -15.9236 CTL2 9270 9274 9275 9276 - 1.800000e-019276 9274 H71 SLES 1 -0.137471 -36.3743 -15.2271 HAL2 9273 0 0 0 9.000000e-029277 9275 H72 SLES 1 1.31388 -35.7116 -16.0867 HAL2 9273 0 0 0 9.000000e-029278 9276 C8 SLES 1 -0.0617829 -34.234 -15.3585 CTL2 9273 9277 9278 9279 - 1.800000e-019279 9277 H81 SLES 1 -1.1799 -34.1657 -15.2432 HAL2 9276 0 0 0 9.000000e-029280 9278 H82 SLES 1 0.302254 -33.4891 -16.1221 HAL2 9276 0 0 0 9.000000e-029281 9279 C9 SLES 1 0.526095 -33.8264 -14.0527 CTL2 9276 9280 9281 9282 - 1.800000e-019282 9280 H91 SLES 1 0.183926 -34.5125 -13.246 HAL2 9279 0 0 0 9.000000e-029283 9281 H92 SLES 1 1.63769 -33.8483 -14.1081 HAL2 9279 0 0 0 9.000000e-029284 9282 C10 SLES 1 -0.0435056 -32.415 -13.9262 CTL2 9279 9283 9284 9285 - 1.800000e-019285 9283 H10 SLES 1 -1.1661 -32.4525 -13.951 HAL2 9282 0 0 0 9.000000e-029286 9284 H10 SLES 1 0.277096 -31.7935 -14.8063 HAL2 9282 0 0 0 9.000000e-029287 9285 C11 SLES 1 0.355008 -31.68 -12.6879 CTL2 9282 9286 9287 9288 - 1.800000e-019288 9286 H11 SLES 1 0.0162057 -32.2885 -11.8173 HAL2 9285 0 0 0 9.000000e-029289 9287 H11 SLES 1 1.46831 -31.626 -12.6775 HAL2 9285 0 0 0 9.000000e-029290 9288 C12 SLES 1 -0.285688 -30.2892 -12.6964 CTL3 9285 9289 9290 9291 - 2.700000e-019291 9289 H12 SLES 1 -0.961353 -30.1773 -11.8263 HAL3 9288 0 0 0 9.000000e-029292 9290 H12 SLES 1 0.500563 -29.5093 -12.6927 HAL3 9288 0 0 0 9.000000e-029293 9291 H12 SLES 1 -0.906853 -30.1116 -13.6085 HAL3 9288 0 0 0 9.000000e-029294 9292 NA SLES 1 16.863 -46.4017 -25.3778 NA 0 0 0 0 1 .000000e+009295 9293 S SLES 1 14.0705 -45.42 -26.0201 SL 9294 9295 9296 9297 1.33 0000e+009296 9294 OS1 SLES 1 14.5297 -44.5585 -24.9173 OSL 9293 9298 0 0 - 2.800000e-019297 9295 OS2 SLES 1 14.2903 -46.6061 -25.2227 O2L 9293 0 0 0 - 6.500000e-019298 9296 OS3 SLES 1 15.1896 -45.0173 -26.8402 O2L 9293 0 0 0 - 6.500000e-019299 9297 OS4 SLES 1 12.7369 -45.0005 -26.3478 O2L 9293 0 0 0 - 6.500000e-019300 9298 C2 SLES 1 13.8607 -43.518 -24.3249 CC32A 9294 9299 9300 9301 - 1.100000e-019301 9299 H2A SLES 1 12.9002 -43.8727 -23.8661 HCA2 9298 0 0 0 9.000000e-029302 9300 H2B SLES 1 13.648 -42.7036 -25.0674 HCA2 9298 0 0 0 9.000000e-029303 9301 C1 SLES 1 14.867 -43.0585 -23.248 CC32A 9298 9302 9303 9304 - 1.000000e-029304 9302 H1B SLES 1 15.0957 -43.8903 -22.5323 HCA2 9301 0 0 0 9.000000e-029305 9303 H1A SLES 1 15.8224 -42.7164 -23.7162 HCA2 9301 0 0 0 9.000000e-029306 9304 O1 SLES 1 14.5216 -41.9956 -22.4202 OC30A 9301 9305 0 0 - 3.400000e-019307 9305 C2 SLES 1 13.2486 -41.4015 -22.5974 CC32A 9304 9306 9307 9308 - 1.000000e-029308 9306 H2A SLES 1 12.4332 -42.1648 -22.4426 HCA2 9305 0 0 0 9.000000e-029309 9307 H2B SLES 1 13.1408 -40.9735 -23.6215 HCA2 9305 0 0 0 9.000000e-029310 9308 C1 SLES 1 13.5662 -40.5408 -21.321 CC32A 9305 9309 9310 9311 - 1.000000e-029311 9309 H1B SLES 1 12.6999 -40.9752 -20.8048 HCA2 9308 0 0 0 9.000000e-029312 9310 H1A SLES 1 13.5254 -39.7034 -22.1081 HCA2 9308 0 0 0 9.000000e-029313 9311 O1 SLES 1 13.6816 -39.4243 -20.4772 OC30A 9308 9312 0 0 - 3.400000e-019314 9312 C1 SLES 1 12.5181 -38.6474 -20.2305 CTL2 9311 9313 9314 9315 - 1.800000e-019315 9313 H11 SLES 1 11.5882 -39.2218 -19.9612 HAL2 9312 0 0 0 9.000000e-029316 9314 H12 SLES 1 12.2697 -38.0223 -21.1249 HAL2 9312 0 0 0 9.000000e-029317 9315 C2 SLES 1 13.0277 -37.8103 -19.0581 CTL2 9312 9316 9317 9318 - 1.800000e-019318 9316 H21 SLES 1 13.225 -38.4087 -18.1364 HAL2 9315 0 0 0 9.000000e-029319 9317 H22 SLES 1 13.9406 -37.2164 -19.3076 HAL2 9315 0 0 0 9.000000e-029320 9318 C3 SLES 1 11.9089 -36.8828 -18.8041 CTL2 9315 9319 9320 9321 - 1.800000e-019321 9319 H31 SLES 1 11.0335 -37.546 -18.5647 HAL2 9318 0 0 0 9.000000e-029322 9320 H32 SLES 1 11.769 -36.326 -19.7717 HAL2 9318 0 0 0 9.000000e-029323 9321 C4 SLES 1 11.9843 -35.8539 -17.7231 CTL2 9318 9322 9323 9324 - 1.800000e-019324 9322 H41 SLES 1 12.1207 -36.327 -16.7195 HAL2 9321 0 0 0 9.000000e-029325 9323 H42 SLES 1 12.8326 -35.1494 -17.8903 HAL2 9321 0 0 0 9.000000e-029326 9324 C5 SLES 1 10.6006 -35.2234 -17.9302 CTL2 9321 9325 9326 9327 - 1.800000e-019327 9325 H51 SLES 1 9.79511 -35.9976 -17.8214 HAL2 9324 0 0 0 9.000000e-029328 9326 H52 SLES 1 10.4992 -34.8334 -18.9771 HAL2 9324 0 0 0 9.000000e-029329 9327 C6 SLES 1 10.2309 -34.1165 -17.0406 CTL2 9324 9328 9329 9330 - 1.800000e-019330 9328 H61 SLES 1 9.26663 -34.4179 -16.5484 HAL2 9327 0 0 0 9.000000e-029331 9329 H62 SLES 1 9.97274 -33.2503 -17.7072 HAL2 9327 0 0 0 9.000000e-029332 9330 C7 SLES 1 11.2652 -33.6971 -15.9889 CTL2 9327 9331 9332 9333 - 1.800000e-019333 9331 H71 SLES 1 11.5043 -34.4936 -15.2452 HAL2 9330 0 0 0 9.000000e-029334 9332 H72 SLES 1 12.2188 -33.3115 -16.4185 HAL2 9330 0 0 0 9.000000e-029335 9333 C8 SLES 1 10.5063 -32.5965 -15.3406 CTL2 9330 9334 9335 9336 - 1.800000e-019336 9334 H81 SLES 1 9.55307 -33.0541 -14.9531 HAL2 9333 0 0 0 9.000000e-029337 9335 H82 SLES 1 10.2827 -31.8471 -16.1523 HAL2 9333 0 0 0 9.000000e-029338 9336 C9 SLES 1 11.1022 -31.8333 -14.2095 CTL2 9333 9337 9338 9339 - 1.800000e-019339 9337 H91 SLES 1 11.3257 -32.5167 -13.36 HAL2 9336 0 0 0 9.000000e-029340 9338 H92 SLES 1 12.0411 -31.3324 -14.5362 HAL2 9336 0 0 0 9.000000e-029341 9339 C10 SLES 1 9.9679 -30.8543 -13.9139 CTL2 9336 9340 9341 9342 - 1.800000e-019342 9340 H10 SLES 1 9.03025 -31.4203 -13.6636 HAL2 9339 0 0 0 9.000000e-029343 9341 H10 SLES 1 9.74075 -30.245 -14.8307 HAL2 9339 0 0 0 9.000000e-029344 9342 C11 SLES 1 10.2304 -29.9006 -12.794 CTL2 9339 9343 9344 9345 - 1.800000e-019345 9343 H11 SLES 1 10.4338 -30.5081 -11.8816 HAL2 9342 0 0 0 9.000000e-029346 9344 H11 SLES 1 11.149 -29.3259 -13.0556 HAL2 9342 0 0 0 9.000000e-029347 9345 C12 SLES 1 9.01538 -28.9865 -12.6123 CTL3 9342 9346 9347 9348 - 2.700000e-019348 9346 H12 SLES 1 8.58606 -29.1224 -11.6007 HAL3 9345 0 0 0 9.000000e-029349 9347 H12 SLES 1 9.30551 -27.9314 -12.7831 HAL3 9345 0 0 0 9.000000e-029350 9348 H12 SLES 1 8.19799 -29.2143 -13.3399 HAL3 9345 0 0 0 9.000000e-029351 9349 NA SLES 1 30.3951 -38.468 -25.8399 NA 0 0 0 0 1 .000000e+009352 9350 S SLES 1 27.4164 -39.0174 -25.8432 SL 9351 9352 9353 9354 1.33 0000e+009353 9351 OS1 SLES 1 27.5889 -37.8742 -24.9307 OSL 9350 9355 0 0 - 2.800000e-019354 9352 OS2 SLES 1 28.3319 -39.817 -25.0601 O2L 9350 0 0 0 - 6.500000e-019355 9353 OS3 SLES 1 28.0213 -38.2804 -26.9287 O2L 9350 0 0 0 - 6.500000e-019356 9354 OS4 SLES 1 26.0142 -39.3262 -25.8626 O2L 9350 0 0 0 - 6.500000e-019357 9355 C2 SLES 1 26.6183 -37.1833 -24.2512 CC32A 9351 9356 9357 9358 - 1.100000e-019358 9356 H2A SLES 1 26.0585 -37.8638 -23.5566 HCA2 9355 0 0 0 9.000000e-029359 9357 H2B SLES 1 25.9011 -36.6949 -24.963 HCA2 9355 0 0 0 9.000000e-029360 9358 C1 SLES 1 27.4491 -36.1398 -23.4739 CC32A 9355 9359 9360 9361 - 1.000000e-029361 9359 H1B SLES 1 28.1835 -36.6403 -22.7909 HCA2 9358 0 0 0 9.000000e-029362 9360 H1A SLES 1 28.0091 -35.4742 -24.1757 HCA2 9358 0 0 0 9.000000e-029363 9361 O1 SLES 1 26.7867 -35.2405 -22.6452 OC30A 9358 9362 0 0 - 3.400000e-019364 9362 C2 SLES 1 25.3783 -35.3446 -22.5425 CC32A 9361 9363 9364 9365 - 1.000000e-029365 9363 H2A SLES 1 25.0862 -36.3627 -22.1557 HCA2 9362 0 0 0 9.000000e-029366 9364 H2B SLES 1 24.8878 -35.1894 -23.5319 HCA2 9362 0 0 0 9.000000e-029367 9365 C1 SLES 1 25.4625 -34.2397 -21.4276 CC32A 9362 9366 9367 9368 - 1.000000e-029368 9366 H1B SLES 1 25.0326 -34.9363 -20.6958 HCA2 9365 0 0 0 9.000000e-029369 9367 H1A SLES 1 24.8723 -33.6585 -22.2253 HCA2 9365 0 0 0 9.000000e-029370 9368 O1 SLES 1 25.1693 -33.0768 -20.6971 OC30A 9365 9369 0 0 - 3.400000e-019371 9369 C1 SLES 1 23.843 -32.9017 -20.2195 CTL2 9368 9370 9371 9372 - 1.800000e-019372 9370 H11 SLES 1 23.3818 -33.79 -19.7043 HAL2 9369 0 0 0 9.000000e-029373 9371 H12 SLES 1 23.16 -32.6193 -21.06 HAL2 9369 0 0 0 9.000000e-029374 9372 C2 SLES 1 24.0831 -31.745 -19.2504 CTL2 9369 9373 9374 9375 - 1.800000e-019375 9373 H21 SLES 1 24.7145 -32.0234 -18.3726 HAL2 9372 0 0 0 9.000000e-029376 9374 H22 SLES 1 24.5239 -30.8444 -19.7434 HAL2 9372 0 0 0 9.000000e-029377 9375 C3 SLES 1 22.7223 -31.4169 -18.7847 CTL2 9372 9376 9377 9378 - 1.800000e-019378 9376 H31 SLES 1 22.3456 -32.362 -18.3068 HAL2 9375 0 0 0 9.000000e-029379 9377 H32 SLES 1 22.1518 -31.1554 -19.7184 HAL2 9375 0 0 0 9.000000e-029380 9378 C4 SLES 1 22.4818 -30.3101 -17.8099 CTL2 9375 9379 9380 9381 - 1.800000e-019381 9379 H41 SLES 1 23.0149 -30.4945 -16.8448 HAL2 9378 0 0 0 9.000000e-029382 9380 H42 SLES 1 22.8284 -29.3299 -18.2135 HAL2 9378 0 0 0 9.000000e-029383 9381 C5 SLES 1 20.9557 -30.4389 -17.7115 CTL2 9378 9382 9383 9384 - 1.800000e-019384 9382 H51 SLES 1 20.6689 -31.4694 -17.3711 HAL2 9381 0 0 0 9.000000e-029385 9383 H52 SLES 1 20.4851 -30.3177 -18.7225 HAL2 9381 0 0 0 9.000000e-029386 9384 C6 SLES 1 20.2624 -29.5026 -16.8193 CTL2 9381 9385 9386 9387 - 1.800000e-019387 9385 H61 SLES 1 19.6793 -30.1329 -16.0944 HAL2 9384 0 0 0 9.000000e-029388 9386 H62 SLES 1 19.4951 -28.9778 -17.4495 HAL2 9384 0 0 0 9.000000e-029389 9387 C7 SLES 1 21.1321 -28.485 -16.0711 CTL2 9384 9388 9389 9390 - 1.800000e-019390 9388 H71 SLES 1 21.8632 -28.9454 -15.3654 HAL2 9387 0 0 0 9.000000e-029391 9389 H72 SLES 1 21.6764 -27.776 -16.7373 HAL2 9387 0 0 0 9.000000e-029392 9390 C8 SLES 1 20.0658 -27.7745 -15.3189 CTL2 9387 9391 9392 9393 - 1.800000e-019393 9391 H81 SLES 1 19.5493 -28.5527 -14.6898 HAL2 9390 0 0 0 9.000000e-029394 9392 H82 SLES 1 19.3583 -27.359 -16.0918 HAL2 9390 0 0 0 9.000000e-029395 9393 C9 SLES 1 20.4081 -26.6487 -14.4066 CTL2 9390 9394 9395 9396 - 1.800000e-019396 9394 H91 SLES 1 21.0901 -27.0007 -13.6006 HAL2 9393 0 0 0 9.000000e-029397 9395 H92 SLES 1 20.9023 -25.8295 -14.9757 HAL2 9393 0 0 0 9.000000e-029398 9396 C10 SLES 1 19.0165 -26.2761 -13.8995 CTL2 9393 9397 9398 9399 - 1.800000e-019399 9397 H10 SLES 1 18.5412 -27.1639 -13.4013 HAL2 9396 0 0 0 9.000000e-029400 9398 H10 SLES 1 18.3553 -26.0013 -14.7659 HAL2 9396 0 0 0 9.000000e-029401 9399 C11 SLES 1 18.9793 -25.1415 -12.9281 CTL2 9396 9400 9401 9402 - 1.800000e-019402 9400 H11 SLES 1 19.6186 -25.4266 -12.0602 HAL2 9399 0 0 0 9.000000e-029403 9401 H11 SLES 1 19.4321 -24.2569 -13.4331 HAL2 9399 0 0 0 9.000000e-029404 9402 C12 SLES 1 17.5298 -24.8816 -12.5085 CTL3 9399 9403 9404 9405 - 2.700000e-019405 9403 H12 SLES 1 17.4172 -25.0344 -11.4176 HAL3 9402 0 0 0 9.000000e-029406 9404 H12 SLES 1 17.2284 -23.8565 -12.8 HAL3 9402 0 0 0 9.000000e-029407 9405 H12 SLES 1 16.8108 -25.5787 -13.005 HAL3 9402 0 0 0 9.000000e-029408 9406 NA SLES 1 40.5301 -26.8931 -26.3482 NA 0 0 0 0 1 .000000e+009409 9407 S SLES 1 38.2359 -28.7436 -25.6506 SL 9408 9409 9410 9411 1.33 0000e+009410 9408 OS1 SLES 1 37.9349 -27.4859 -24.9457 OSL 9407 9412 0 0 - 2.800000e-019411 9409 OS2 SLES 1 39.5162 -28.8427 -24.986 O2L 9407 0 0 0 - 6.500000e-019412 9410 OS3 SLES 1 38.2577 -28.0598 -26.9231 O2L 9407 0 0 0 - 6.500000e-019413 9411 OS4 SLES 1 37.1784 -29.6615 -25.3332 O2L 9407 0 0 0 - 6.500000e-019414 9412 C2 SLES 1 36.8435 -27.1954 -24.1675 CC32A 9408 9413 9414 9415 - 1.100000e-019415 9413 H2A SLES 1 36.7838 -27.8926 -23.2904 HCA2 9412 0 0 0 9.000000e-029416 9414 H2B SLES 1 35.8962 -27.2574 -24.7661 HCA2 9412 0 0 0 9.000000e-029417 9415 C1 SLES 1 37.1416 -25.7479 -23.7208 CC32A 9412 9416 9417 9418 - 1.000000e-029418 9416 H1B SLES 1 38.1061 -25.6945 -23.1522 HCA2 9415 0 0 0 9.000000e-029419 9417 H1A SLES 1 37.2079 -25.0649 -24.6031 HCA2 9415 0 0 0 9.000000e-029420 9418 O1 SLES 1 36.2315 -25.1038 -22.8895 OC30A 9415 9419 0 0 - 3.400000e-019421 9419 C2 SLES 1 35.083 -25.8225 -22.478 CC32A 9418 9420 9421 9422 - 1.000000e-029422 9420 H2A SLES 1 35.3817 -26.7521 -21.9139 HCA2 9419 0 0 0 9.000000e-029423 9421 H2B SLES 1 34.4605 -26.1256 -23.3522 HCA2 9419 0 0 0 9.000000e-029424 9422 C1 SLES 1 34.7501 -24.5957 -21.5534 CC32A 9419 9423 9424 9425 - 1.000000e-029425 9423 H1B SLES 1 34.8148 -25.2388 -20.6659 HCA2 9422 0 0 0 9.000000e-029426 9424 H1A SLES 1 33.8558 -24.5373 -22.2739 HCA2 9422 0 0 0 9.000000e-029427 9425 O1 SLES 1 34.0157 -23.5748 -20.9285 OC30A 9422 9426 0 0 - 3.400000e-019428 9426 C1 SLES 1 32.8471 -23.9357 -20.2061 CTL2 9425 9427 9428 9429 - 1.800000e-019429 9427 H11 SLES 1 32.9523 -24.8044 -19.4978 HAL2 9426 0 0 0 9.000000e-029430 9428 H12 SLES 1 32.0148 -24.1866 -20.911 HAL2 9426 0 0 0 9.000000e-029431 9429 C2 SLES 1 32.6047 -22.6231 -19.4623 CTL2 9426 9430 9431 9432 - 1.800000e-019432 9430 H21 SLES 1 33.3954 -22.3847 -18.7108 HAL2 9429 0 0 0 9.000000e-029433 9431 H22 SLES 1 32.4787 -21.7486 -20.1462 HAL2 9429 0 0 0 9.000000e-029434 9432 C3 SLES 1 31.3295 -22.8707 -18.7631 CTL2 9429 9433 9434 9435 - 1.800000e-019435 9433 H31 SLES 1 31.5308 -23.7571 -18.1019 HAL2 9432 0 0 0 9.000000e-029436 9434 H32 SLES 1 30.5927 -23.1074 -19.5797 HAL2 9432 0 0 0 9.000000e-029437 9435 C4 SLES 1 30.6986 -21.822 -17.9057 CTL2 9432 9436 9437 9438 - 1.800000e-019438 9436 H41 SLES 1 31.3692 -21.5296 -17.0604 HAL2 9435 0 0 0 9.000000e-029439 9437 H42 SLES 1 30.4635 -20.9034 -18.4929 HAL2 9435 0 0 0 9.000000e-029440 9438 C5 SLES 1 29.4604 -22.6173 -17.4703 CTL2 9435 9439 9440 9441 - 1.800000e-019441 9439 H51 SLES 1 29.764 -23.5649 -16.9507 HAL2 9438 0 0 0 9.000000e-029442 9440 H52 SLES 1 28.8691 -22.945 -18.3655 HAL2 9438 0 0 0 9.000000e-029443 9441 C6 SLES 1 28.5135 -21.9421 -16.5755 CTL2 9438 9442 9443 9444 - 1.800000e-019444 9442 H61 SLES 1 28.4127 -22.6005 -15.6704 HAL2 9441 0 0 0 9.000000e-029445 9443 H62 SLES 1 27.5153 -21.9787 -17.089 HAL2 9441 0 0 0 9.000000e-029446 9444 C7 SLES 1 28.8541 -20.5053 -16.1621 CTL2 9441 9445 9446 9447 - 1.800000e-019447 9445 H71 SLES 1 29.7988 -20.414 -15.5757 HAL2 9444 0 0 0 9.000000e-029448 9446 H72 SLES 1 28.89 -19.7847 -17.0119 HAL2 9444 0 0 0 9.000000e-029449 9447 C8 SLES 1 27.6797 -20.2267 -15.2955 CTL2 9444 9448 9449 9450 - 1.800000e-019450 9448 H81 SLES 1 27.6973 -21.0019 -14.4789 HAL2 9447 0 0 0 9.000000e-029451 9449 H82 SLES 1 26.7692 -20.3599 -15.9464 HAL2 9447 0 0 0 9.000000e-029452 9450 C9 SLES 1 27.5335 -18.9055 -14.6247 CTL2 9447 9451 9452 9453 - 1.800000e-019453 9451 H91 SLES 1 28.395 -18.7223 -13.9443 HAL2 9450 0 0 0 9.000000e-029454 9452 H92 SLES 1 27.4841 -18.0925 -15.3835 HAL2 9450 0 0 0 9.000000e-029455 9453 C10 SLES 1 26.215 -19.1203 -13.8844 CTL2 9450 9454 9455 9456 - 1.800000e-019456 9454 H10 SLES 1 26.3057 -19.9986 -13.1898 HAL2 9453 0 0 0 9.000000e-029457 9455 H10 SLES 1 25.4019 -19.3731 -14.6182 HAL2 9453 0 0 0 9.000000e-029458 9456 C11 SLES 1 25.7451 -17.9543 -13.0768 CTL2 9453 9457 9458 9459 - 1.800000e-019459 9457 H11 SLES 1 26.5445 -17.7201 -12.3358 HAL2 9456 0 0 0 9.000000e-029460 9458 H11 SLES 1 25.6358 -17.0906 -13.773 HAL2 9456 0 0 0 9.000000e-029461 9459 C12 SLES 1 24.4213 -18.3114 -12.395 CTL3 9456 9460 9461 9462 - 2.700000e-019462 9460 H12 SLES 1 24.5361 -18.2635 -11.2947 HAL3 9459 0 0 0 9.000000e-029463 9461 H12 SLES 1 23.6201 -17.6299 -12.7417 HAL3 9459 0 0 0 9.000000e-029464 9462 H12 SLES 1 24.0839 -19.3493 -12.6365 HAL3 9459 0 0 0 9.000000e-029465 9463 NA SLES 1 46.4529 -13.0425 -26.8529 NA 0 0 0 0 1 .000000e+009466 9464 S SLES 1 45.4007 -15.5183 -25.461 SL 9465 9466 9467 9468 1.33 0000e+009467 9465 OS1 SLES 1 44.56 -14.4173 -24.9607 OSL 9464 9469 0 0 - 2.800000e-019468 9466 OS2 SLES 1 46.5986 -14.8475 -25.0076 O2L 9464 0 0 0 - 6.500000e-019469 9467 OS3 SLES 1 45.0168 -15.2316 -26.824 O2L 9464 0 0 0 - 6.500000e-019470 9468 OS4 SLES 1 44.9473 -16.716 -24.8114 O2L 9464 0 0 0 - 6.500000e-019471 9469 C2 SLES 1 43.5095 -14.4903 -24.0818 CC32A 9465 9470 9471 9472 - 1.100000e-019472 9470 H2A SLES 1 43.8459 -14.9012 -23.0934 HCA2 9469 0 0 0 9.000000e-029473 9471 H2B SLES 1 42.6838 -15.1276 -24.496 HCA2 9469 0 0 0 9.000000e-029474 9472 C1 SLES 1 43.0834 -13.011 -23.9646 CC32A 9469 9473 9474 9475 - 1.000000e-029475 9473 H1B SLES 1 43.9267 -12.3802 -23.5808 HCA2 9472 0 0 0 9.000000e-029476 9474 H1A SLES 1 42.7594 -12.6104 -24.9565 HCA2 9472 0 0 0 9.000000e-029477 9475 O1 SLES 1 42.0202 -12.6857 -23.1291 OC30A 9472 9476 0 0 - 3.400000e-019478 9476 C2 SLES 1 41.395 -13.7332 -22.4103 CC32A 9475 9477 9478 9479 - 1.000000e-029479 9477 H2A SLES 1 42.1405 -14.2506 -21.7409 HCA2 9476 0 0 0 9.000000e-029480 9478 H2B SLES 1 40.9554 -14.4912 -23.1001 HCA2 9476 0 0 0 9.000000e-029481 9479 C1 SLES 1 40.5535 -12.6204 -21.6862 CC32A 9476 9480 9481 9482 - 1.000000e-029482 9480 H1B SLES 1 40.9722 -12.9249 -20.7179 HCA2 9479 0 0 0 9.000000e-029483 9481 H1A SLES 1 39.7083 -13.16 -22.2492 HCA2 9479 0 0 0 9.000000e-029484 9482 O1 SLES 1 39.4475 -11.942 -21.1489 OC30A 9479 9483 0 0 - 3.400000e-019485 9483 C1 SLES 1 38.6461 -12.6193 -20.1914 CTL2 9482 9484 9485 9486 - 1.800000e-019486 9484 H11 SLES 1 39.201 -13.1402 -19.3619 HAL2 9483 0 0 0 9.000000e-029487 9485 H12 SLES 1 38.0073 -13.3897 -20.6925 HAL2 9483 0 0 0 9.000000e-029488 9486 C2 SLES 1 37.8316 -11.4349 -19.6731 CTL2 9483 9487 9488 9489 - 1.800000e-019489 9487 H21 SLES 1 38.4428 -10.6834 -19.1178 HAL2 9486 0 0 0 9.000000e-029490 9488 H22 SLES 1 37.257 -10.9129 -20.4766 HAL2 9486 0 0 0 9.000000e-029491 9489 C3 SLES 1 36.8807 -12.0708 -18.7416 CTL2 9486 9490 9491 9492 - 1.800000e-019492 9490 H31 SLES 1 37.5253 -12.5733 -17.9702 HAL2 9489 0 0 0 9.000000e-029493 9491 H32 SLES 1 36.312 -12.8115 -19.3691 HAL2 9489 0 0 0 9.000000e-029494 9492 C4 SLES 1 35.8635 -11.2646 -18.001 CTL2 9489 9493 9494 9495 - 1.800000e-019495 9493 H41 SLES 1 36.3487 -10.5003 -17.3452 HAL2 9492 0 0 0 9.000000e-029496 9494 H42 SLES 1 35.1775 -10.7326 -18.7012 HAL2 9492 0 0 0 9.000000e-029497 9495 C5 SLES 1 35.1991 -12.4133 -17.2303 CTL2 9492 9496 9497 9498 - 1.800000e-019498 9496 H51 SLES 1 35.9553 -12.9545 -16.6015 HAL2 9495 0 0 0 9.000000e-029499 9497 H52 SLES 1 34.7975 -13.1828 -17.9409 HAL2 9495 0 0 0 9.000000e-029500 9498 C6 SLES 1 34.092 -12.0634 -16.333 CTL2 9495 9499 9500 9501 - 1.800000e-019501 9499 H61 SLES 1 34.3752 -12.4535 -15.3179 HAL2 9498 0 0 0 9.000000e-029502 9500 H62 SLES 1 33.2141 -12.6823 -16.661 HAL2 9498 0 0 0 9.000000e-029503 9501 C7 SLES 1 33.7063 -10.5814 -16.253 CTL2 9498 9502 9503 9504 - 1.800000e-019504 9502 H71 SLES 1 34.5148 -9.92325 -15.8557 HAL2 9501 0 0 0 9.000000e-029505 9503 H72 SLES 1 33.3391 -10.1551 -17.2154 HAL2 9501 0 0 0 9.000000e-029506 9504 C8 SLES 1 32.5942 -10.6818 -15.2728 CTL2 9501 9505 9506 9507 - 1.800000e-019507 9505 H81 SLES 1 33.0328 -11.1378 -14.3413 HAL2 9504 0 0 0 9.000000e-029508 9506 H82 SLES 1 31.8325 -11.3753 -15.7304 HAL2 9504 0 0 0 9.000000e-029509 9507 C9 SLES 1 31.8553 -9.46295 -14.8425 CTL2 9504 9508 9509 9510 - 1.800000e-019510 9508 H91 SLES 1 32.5513 -8.74255 -14.3574 HAL2 9507 0 0 0 9.000000e-029511 9509 H92 SLES 1 31.3735 -8.97575 -15.7198 HAL2 9507 0 0 0 9.000000e-029512 9510 C10 SLES 1 30.8527 -10.0811 -13.8702 CTL2 9507 9511 9512 9513 - 1.800000e-019513 9511 H10 SLES 1 31.399 -10.6202 -13.0497 HAL2 9510 0 0 0 9.000000e-029514 9512 H10 SLES 1 30.2301 -10.8511 -14.402 HAL2 9510 0 0 0 9.000000e-029515 9513 C11 SLES 1 29.9156 -9.1121 -13.2258 CTL2 9510 9514 9515 9516 - 1.800000e-019516 9514 H11 SLES 1 30.5359 -8.36258 -12.6813 HAL2 9513 0 0 0 9.000000e-029517 9515 H11 SLES 1 29.3601 -8.59451 -14.0419 HAL2 9513 0 0 0 9.000000e-029518 9516 C12 SLES 1 28.975 -9.86809 -12.2831 CTL3 9513 9517 9518 9519 - 2.700000e-019519 9517 H12 SLES 1 29.1101 -9.50934 -11.2442 HAL3 9516 0 0 0 9.000000e-029520 9518 H12 SLES 1 27.9255 -9.7435 -12.614 HAL3 9516 0 0 0 9.000000e-029521 9519 H12 SLES 1 29.1772 -10.9674 -12.2706 HAL3 9516 0 0 0 9.000000e-029522 9520 NA SLES 1 36.3182 1.64418 -38.3873 NA 0 0 0 0 1 .000000e+009523 9521 S SLES 1 37.0705 -0.607557 -36.5064 SL 9522 9523 9524 9525 1.33 0000e+009524 9522 OS1 SLES 1 35.9176 0.0495181 -35.8673 OSL 9521 9526 0 0 - 2.800000e-019525 9523 OS2 SLES 1 37.805 0.637759 -36.5268 O2L 9521 0 0 0 - 6.500000e-019526 9524 OS3 SLES 1 36.2945 -0.880562 -37.694 O2L 9521 0 0 0 - 6.500000e-019527 9525 OS4 SLES 1 37.4746 -1.67631 -35.6367 O2L 9521 0 0 0 - 6.500000e-019528 9526 C2 SLES 1 35.2944 -0.293442 -34.6946 CC32A 9522 9527 9528 9529 - 1.100000e-019529 9527 H2A SLES 1 36.0112 -0.239842 -33.8331 HCA2 9526 0 0 0 9.000000e-029530 9528 H2B SLES 1 34.8568 -1.32482 -34.7599 HCA2 9526 0 0 0 9.000000e-029531 9529 C1 SLES 1 34.1959 0.785828 -34.5852 CC32A 9526 9530 9531 9532 - 1.000000e-029532 9530 H1B SLES 1 34.6445 1.81251 -34.5536 HCA2 9529 0 0 0 9.000000e-029533 9531 H1A SLES 1 33.4939 0.728524 -35.453 HCA2 9529 0 0 0 9.000000e-029534 9532 O1 SLES 1 33.3436 0.763312 -33.4864 OC30A 9529 9533 0 0 - 3.400000e-019535 9533 C2 SLES 1 33.5438 -0.242648 -32.5104 CC32A 9532 9534 9535 9536 - 1.000000e-029536 9534 H2A SLES 1 34.5793 -0.164001 -32.071 HCA2 9533 0 0 0 9.000000e-029537 9535 H2B SLES 1 33.4233 -1.26114 -32.9482 HCA2 9533 0 0 0 9.000000e-029538 9536 C1 SLES 1 32.4351 0.478817 -31.6613 CC32A 9533 9537 9538 9539 - 1.000000e-029539 9537 H1B SLES 1 33.159 0.65649 -30.8551 HCA2 9536 0 0 0 9.000000e-029540 9538 H1A SLES 1 31.8962 -0.515444 -31.8697 HCA2 9536 0 0 0 9.000000e-029541 9539 O1 SLES 1 31.2945 0.661847 -30.8627 OC30A 9536 9540 0 0 - 3.400000e-019542 9540 C1 SLES 1 31.2104 -0.0556061 -29.6396 CTL2 9539 9541 9542 9543 - 1.800000e-019543 9541 H11 SLES 1 32.128 -0.0306716 -28.9878 HAL2 9540 0 0 0 9.000000e-029544 9542 H12 SLES 1 30.9761 -1.13244 -29.8345 HAL2 9540 0 0 0 9.000000e-029545 9543 C2 SLES 1 30.0394 0.688909 -28.9998 CTL2 9540 9544 9545 9546 - 1.800000e-019546 9544 H21 SLES 1 30.2733 1.75006 -28.7432 HAL2 9543 0 0 0 9.000000e-029547 9545 H22 SLES 1 29.111 0.661981 -29.6209 HAL2 9543 0 0 0 9.000000e-029548 9546 C3 SLES 1 29.805 -0.0705721 -27.757 CTL2 9543 9547 9548 9549 - 1.800000e-019549 9547 H31 SLES 1 30.7734 -0.00200562 -27.1905 HAL2 9546 0 0 0 9.000000e-029550 9548 H32 SLES 1 29.5838 -1.1202 -28.0964 HAL2 9546 0 0 0 9.000000e-029551 9549 C4 SLES 1 28.7167 0.312422 -26.8074 CTL2 9546 9550 9551 9552 - 1.800000e-019552 9550 H41 SLES 1 28.8635 1.34952 -26.4167 HAL2 9549 0 0 0 9.000000e-029553 9551 H42 SLES 1 27.7153 0.266707 -27.2962 HAL2 9549 0 0 0 9.000000e-029554 9552 C5 SLES 1 28.9497 -0.785032 -25.7603 CTL2 9549 9553 9554 9555 - 1.800000e-019555 9553 H51 SLES 1 29.9972 -0.731426 -25.3604 HAL2 9552 0 0 0 9.000000e-029556 9554 H52 SLES 1 28.8616 -1.8004 -26.229 HAL2 9552 0 0 0 9.000000e-029557 9555 C6 SLES 1 28.0625 -0.792326 -24.5914 CTL2 9552 9556 9557 9558 - 1.800000e-019558 9556 H61 SLES 1 28.7309 -0.739757 -23.6896 HAL2 9555 0 0 0 9.000000e-029559 9557 H62 SLES 1 27.592 -1.81162 -24.5605 HAL2 9555 0 0 0 9.000000e-029560 9558 C7 SLES 1 26.9872 0.29928 -24.5303 CTL2 9555 9559 9560 9561 - 1.800000e-019561 9559 H71 SLES 1 27.396 1.33595 -24.4774 HAL2 9558 0 0 0 9.000000e-029562 9560 H72 SLES 1 26.2431 0.250531 -25.3589 HAL2 9558 0 0 0 9.000000e-029563 9561 C8 SLES 1 26.351 -0.0712677 -23.2398 CTL2 9558 9562 9563 9564 - 1.800000e-019564 9562 H81 SLES 1 27.1624 -0.0213796 -22.4605 HAL2 9561 0 0 0 9.000000e-029565 9563 H82 SLES 1 25.9854 -1.13052 -23.3614 HAL2 9561 0 0 0 9.000000e-029566 9564 C9 SLES 1 25.2038 0.716524 -22.7105 CTL2 9561 9565 9566 9567 - 1.800000e-019567 9565 H91 SLES 1 25.5077 1.77424 -22.5444 HAL2 9564 0 0 0 9.000000e-029568 9566 H92 SLES 1 24.353 0.685989 -23.4277 HAL2 9564 0 0 0 9.000000e-029569 9567 C10 SLES 1 24.9272 -0.0423176 -21.4142 CTL2 9564 9568 9569 9570 - 1.800000e-019570 9568 H10 SLES 1 25.8451 -0.0391775 -20.7664 HAL2 9567 0 0 0 9.000000e-029571 9569 H10 SLES 1 24.6988 -1.11881 -21.6433 HAL2 9567 0 0 0 9.000000e-029572 9570 C11 SLES 1 23.7971 0.492708 -20.5962 CTL2 9567 9571 9572 9573 - 1.800000e-019573 9571 H11 SLES 1 24.0372 1.55386 -20.3524 HAL2 9570 0 0 0 9.000000e-029574 9572 H11 SLES 1 22.8839 0.468091 -21.2349 HAL2 9570 0 0 0 9.000000e-029575 9573 C12 SLES 1 23.6368 -0.360704 -19.3348 CTL3 9570 9574 9575 9576 - 2.700000e-019576 9574 H12 SLES 1 23.7964 0.261463 -18.4329 HAL3 9573 0 0 0 9.000000e-029577 9575 H12 SLES 1 22.6351 -0.832578 -19.3208 HAL3 9573 0 0 0 9.000000e-029578 9576 H12 SLES 1 24.3819 -1.19245 -19.2855 HAL3 9573 0 0 0 9.000000e-029579 9577 NA SLES 1 32.3683 15.4981 -38.7285 NA 0 0 0 0 1 .000000e+009580 9578 S SLES 1 34.1587 14.819 -36.3817 SL 9579 9580 9581 9582 1.33 0000e+009581 9579 OS1 SLES 1 32.7875 14.6316 -35.8777 OSL 9578 9583 0 0 - 2.800000e-019582 9580 OS2 SLES 1 33.8698 16.1896 -36.7406 O2L 9578 0 0 0 - 6.500000e-019583 9581 OS3 SLES 1 33.937 13.8513 -37.4313 O2L 9578 0 0 0 - 6.500000e-019584 9582 OS4 SLES 1 35.0462 14.5238 -35.2921 O2L 9578 0 0 0 - 6.500000e-019585 9583 C2 SLES 1 32.3967 14.2123 -34.6317 CC32A 9579 9584 9585 9586 - 1.100000e-019586 9584 H2A SLES 1 32.7665 14.9173 -33.8409 HCA2 9583 0 0 0 9.000000e-029587 9585 H2B SLES 1 32.7724 13.1759 -34.4212 HCA2 9583 0 0 0 9.000000e-029588 9586 C1 SLES 1 30.8575 14.248 -34.7471 CC32A 9583 9587 9588 9589 - 1.000000e-029589 9587 H1B SLES 1 30.4976 15.2814 -34.9894 HCA2 9586 0 0 0 9.000000e-029590 9588 H1A SLES 1 30.502 13.5492 -35.5436 HCA2 9586 0 0 0 9.000000e-029591 9589 O1 SLES 1 30.0956 13.8829 -33.6424 OC30A 9586 9590 0 0 - 3.400000e-019592 9590 C2 SLES 1 30.7771 13.5157 -32.4568 CC32A 9589 9591 9592 9593 - 1.000000e-029593 9591 H2A SLES 1 31.4222 14.3664 -32.0942 HCA2 9590 0 0 0 9.000000e-029594 9592 H2B SLES 1 31.4283 12.6259 -32.6234 HCA2 9590 0 0 0 9.000000e-029595 9593 C1 SLES 1 29.3661 13.4475 -31.7673 CC32A 9590 9594 9595 9596 - 1.000000e-029596 9594 H1B SLES 1 29.6662 14.2329 -31.0611 HCA2 9593 0 0 0 9.000000e-029597 9595 H1A SLES 1 29.6629 12.3385 -31.7004 HCA2 9593 0 0 0 9.000000e-029598 9596 O1 SLES 1 28.2978 12.9684 -30.992 OC30A 9593 9597 0 0 - 3.400000e-019599 9597 C1 SLES 1 28.5444 12.6626 -29.6269 CTL2 9596 9598 9599 9600 - 1.800000e-019600 9598 H11 SLES 1 29.1094 13.4398 -29.0405 HAL2 9597 0 0 0 9.000000e-029601 9599 H12 SLES 1 29.1173 11.7052 -29.5391 HAL2 9597 0 0 0 9.000000e-029602 9600 C2 SLES 1 27.1015 12.5244 -29.1431 CTL2 9597 9601 9602 9603 - 1.800000e-019603 9601 H21 SLES 1 26.5302 13.4834 -29.1672 HAL2 9600 0 0 0 9.000000e-029604 9602 H22 SLES 1 26.5256 11.7448 -29.6989 HAL2 9600 0 0 0 9.000000e-029605 9603 C3 SLES 1 27.2634 12.0911 -27.7423 CTL2 9600 9604 9605 9606 - 1.800000e-019606 9604 H31 SLES 1 27.8484 12.9157 -27.2513 HAL2 9603 0 0 0 9.000000e-029607 9605 H32 SLES 1 27.8479 11.1316 -27.8016 HAL2 9603 0 0 0 9.000000e-029608 9606 C4 SLES 1 26.079 11.8197 -26.8724 CTL2 9603 9607 9608 9609 - 1.800000e-019609 9607 H41 SLES 1 25.4413 12.7306 -26.7572 HAL2 9606 0 0 0 9.000000e-029610 9608 H42 SLES 1 25.4437 11.0049 -27.2925 HAL2 9606 0 0 0 9.000000e-029611 9609 C5 SLES 1 26.8356 11.4252 -25.5969 CTL2 9606 9610 9611 9612 - 1.800000e-019612 9610 H51 SLES 1 27.5117 12.2582 -25.2668 HAL2 9609 0 0 0 9.000000e-029613 9611 H52 SLES 1 27.5127 10.5532 -25.7955 HAL2 9609 0 0 0 9.000000e-029614 9612 C6 SLES 1 26.0282 11.0619 -24.4267 CTL2 9609 9613 9614 9615 - 1.800000e-019615 9613 H61 SLES 1 26.3576 11.7416 -23.5946 HAL2 9612 0 0 0 9.000000e-029616 9614 H62 SLES 1 26.3584 10.0318 -24.1247 HAL2 9612 0 0 0 9.000000e-029617 9615 C7 SLES 1 24.5046 11.1119 -24.5929 CTL2 9612 9616 9617 9618 - 1.800000e-019618 9616 H71 SLES 1 24.1059 12.1298 -24.8154 HAL2 9615 0 0 0 9.000000e-029619 9617 H72 SLES 1 24.107 10.3987 -25.3518 HAL2 9615 0 0 0 9.000000e-029620 9618 C8 SLES 1 24.1062 10.689 -23.2254 CTL2 9615 9619 9620 9621 - 1.800000e-019621 9619 H81 SLES 1 24.5592 11.4384 -22.5173 HAL2 9618 0 0 0 9.000000e-029622 9620 H82 SLES 1 24.5611 9.67023 -23.0655 HAL2 9618 0 0 0 9.000000e-029623 9621 C9 SLES 1 22.6674 10.5745 -22.8602 CTL2 9618 9622 9623 9624 - 1.800000e-019624 9622 H91 SLES 1 22.1621 11.5596 -22.974 HAL2 9621 0 0 0 9.000000e-029625 9623 H92 SLES 1 22.164 9.8249 -23.5114 HAL2 9621 0 0 0 9.000000e-029626 9624 C10 SLES 1 22.7904 10.124 -21.406 CTL2 9621 9625 9626 9627 - 1.800000e-019627 9625 H10 SLES 1 23.3708 10.8853 -20.8181 HAL2 9624 0 0 0 9.000000e-029628 9626 H10 SLES 1 23.3722 9.1638 -21.3517 HAL2 9624 0 0 0 9.000000e-029629 9627 C11 SLES 1 21.4924 9.90368 -20.6995 CTL2 9624 9628 9629 9630 - 1.800000e-019630 9628 H11 SLES 1 20.9273 10.8641 -20.7363 HAL2 9627 0 0 0 9.000000e-029631 9629 H11 SLES 1 20.9285 9.13233 -21.2735 HAL2 9627 0 0 0 9.000000e-029632 9630 C12 SLES 1 21.7685 9.45847 -19.2606 CTL3 9627 9631 9632 9633 - 2.700000e-019633 9631 H12 SLES 1 21.3456 10.1932 -18.5482 HAL3 9630 0 0 0 9.000000e-029634 9632 H12 SLES 1 21.3471 8.44891 -19.0883 HAL3 9630 0 0 0 9.000000e-029635 9633 H12 SLES 1 22.8618 9.39002 -19.038 HAL3 9630 0 0 0 9.000000e-029636 9634 NA SLES 1 23.7467 26.6272 -38.879 NA 0 0 0 0 1 .000000e+009637 9635 S SLES 1 24.9902 27.691 -36.3302 SL 9636 9637 9638 9639 1.33 0000e+009638 9636 OS1 SLES 1 24.0154 26.6817 -35.8825 OSL 9635 9640 0 0 - 2.800000e-019639 9637 OS2 SLES 1 23.956 28.4211 -37.0289 O2L 9635 0 0 0 - 6.500000e-019640 9638 OS3 SLES 1 25.6888 26.7071 -37.1247 O2L 9635 0 0 0 - 6.500000e-019641 9639 OS4 SLES 1 25.5949 28.2379 -35.1482 O2L 9635 0 0 0 - 6.500000e-019642 9640 C2 SLES 1 23.7445 26.2816 -34.5989 CC32A 9636 9641 9642 9643 - 1.100000e-019643 9641 H2A SLES 1 23.3806 27.1451 -33.9818 HCA2 9640 0 0 0 9.000000e-029644 9642 H2B SLES 1 24.653 25.8295 -34.1197 HCA2 9640 0 0 0 9.000000e-029645 9643 C1 SLES 1 22.6328 25.2324 -34.8156 CC32A 9640 9644 9645 9646 - 1.000000e-029646 9644 H1B SLES 1 21.7444 25.689 -35.324 HCA2 9643 0 0 0 9.000000e-029647 9645 H1A SLES 1 23.0042 24.3822 -35.4389 HCA2 9643 0 0 0 9.000000e-029648 9646 O1 SLES 1 22.0879 24.5965 -33.7052 OC30A 9643 9647 0 0 - 3.400000e-019649 9647 C2 SLES 1 22.5708 24.9633 -32.4257 CC32A 9646 9648 9649 9650 - 1.000000e-029650 9648 H2A SLES 1 22.4009 26.0626 -32.2412 HCA2 9647 0 0 0 9.000000e-029651 9649 H2B SLES 1 23.6621 24.7545 -32.3298 HCA2 9647 0 0 0 9.000000e-029652 9650 C1 SLES 1 21.4496 24.0366 -31.8299 CC32A 9647 9651 9652 9653 - 1.000000e-029653 9651 H1B SLES 1 21.0002 24.8982 -31.3186 HCA2 9650 0 0 0 9.000000e-029654 9652 H1A SLES 1 22.3792 23.4591 -31.4769 HCA2 9650 0 0 0 9.000000e-029655 9653 O1 SLES 1 20.828 23.0642 -31.0298 OC30A 9650 9654 0 0 - 3.400000e-019656 9654 C1 SLES 1 20.9181 23.1997 -29.6187 CTL2 9653 9655 9656 9657 - 1.800000e-019657 9655 H11 SLES 1 20.6911 24.2217 -29.2047 HAL2 9654 0 0 0 9.000000e-029658 9656 H12 SLES 1 21.9433 22.9232 -29.2651 HAL2 9654 0 0 0 9.000000e-029659 9657 C2 SLES 1 19.8633 22.1735 -29.207 CTL2 9654 9658 9659 9660 - 1.800000e-019660 9658 H21 SLES 1 18.8248 22.4609 -29.4993 HAL2 9657 0 0 0 9.000000e-029661 9659 H22 SLES 1 20.0775 21.1466 -29.5915 HAL2 9657 0 0 0 9.000000e-029662 9660 C3 SLES 1 19.9684 22.1645 -27.7356 CTL2 9657 9661 9662 9663 - 1.800000e-019663 9661 H31 SLES 1 19.745 23.2212 -27.4243 HAL2 9660 0 0 0 9.000000e-029664 9662 H32 SLES 1 21.0345 21.8746 -27.5231 HAL2 9660 0 0 0 9.000000e-029665 9663 C4 SLES 1 19.1063 21.2732 -26.9017 CTL2 9660 9664 9665 9666 - 1.800000e-019666 9664 H41 SLES 1 18.0218 21.4993 -27.0516 HAL2 9663 0 0 0 9.000000e-029667 9665 H42 SLES 1 19.2719 20.1986 -27.1499 HAL2 9663 0 0 0 9.000000e-029668 9666 C5 SLES 1 19.6424 21.6843 -25.5238 CTL2 9663 9667 9668 9669 - 1.800000e-019669 9667 H51 SLES 1 19.5134 22.7879 -25.3646 HAL2 9666 0 0 0 9.000000e-029670 9668 H52 SLES 1 20.7475 21.5018 -25.4616 HAL2 9666 0 0 0 9.000000e-029671 9669 C6 SLES 1 19.0496 21.0272 -24.3532 CTL2 9666 9670 9671 9672 - 1.800000e-019672 9670 H61 SLES 1 18.6644 21.8506 -23.6925 HAL2 9669 0 0 0 9.000000e-029673 9671 H62 SLES 1 19.9018 20.5607 -23.7897 HAL2 9669 0 0 0 9.000000e-029674 9672 C7 SLES 1 17.9506 19.9921 -24.6216 CTL2 9669 9673 9674 9675 - 1.800000e-019675 9673 H71 SLES 1 17.0401 20.4136 -25.1094 HAL2 9672 0 0 0 9.000000e-029676 9674 H72 SLES 1 18.293 19.1078 -25.2076 HAL2 9672 0 0 0 9.000000e-029677 9675 C8 SLES 1 17.6508 19.6006 -23.22 CTL2 9672 9676 9677 9678 - 1.800000e-019678 9676 H81 SLES 1 17.3354 20.5419 -22.6885 HAL2 9675 0 0 0 9.000000e-029679 9677 H82 SLES 1 18.6158 19.2087 -22.789 HAL2 9675 0 0 0 9.000000e-029680 9678 C9 SLES 1 16.6086 18.578 -22.9286 CTL2 9675 9679 9680 9681 - 1.800000e-019681 9679 H91 SLES 1 15.6197 18.9174 -23.31 HAL2 9678 0 0 0 9.000000e-029682 9680 H92 SLES 1 16.8757 17.6095 -23.4082 HAL2 9678 0 0 0 9.000000e-029683 9681 C10 SLES 1 16.6856 18.5372 -21.4038 CTL2 9678 9682 9683 9684 - 1.800000e-019684 9682 H10 SLES 1 16.4799 19.5586 -20.9836 HAL2 9681 0 0 0 9.000000e-029685 9683 H10 SLES 1 17.7261 18.2603 -21.0813 HAL2 9681 0 0 0 9.000000e-029686 9684 C11 SLES 1 15.7424 17.5821 -20.7475 CTL2 9681 9685 9686 9687 - 1.800000e-019687 9685 H11 SLES 1 14.7101 17.8731 -21.0521 HAL2 9684 0 0 0 9.000000e-029688 9686 H11 SLES 1 15.9637 16.5669 -21.1509 HAL2 9684 0 0 0 9.000000e-029689 9687 C12 SLES 1 15.9298 17.6485 -19.2292 CTL3 9684 9688 9689 9690 - 2.700000e-019690 9688 H12 SLES 1 14.99 17.9772 -18.7448 HAL3 9687 0 0 0 9.000000e-029691 9689 H12 SLES 1 16.2526 16.6619 -18.8434 HAL3 9687 0 0 0 9.000000e-029692 9690 H12 SLES 1 16.718 18.3819 -18.9287 HAL3 9687 0 0 0 9.000000e-029693 9691 NA SLES 1 11.7008 33.8026 -38.8126 NA 0 0 0 0 1 .000000e+009694 9692 S SLES 1 11.2494 35.5227 -36.3607 SL 9693 9694 9695 9696 1.33 0000e+009695 9693 OS1 SLES 1 11.1113 34.137 -35.881 OSL 9692 9697 0 0 - 2.800000e-019696 9694 OS2 SLES 1 10.2077 35.3167 -37.342 O2L 9692 0 0 0 - 6.500000e-019697 9695 OS3 SLES 1 12.5911 35.2589 -36.8272 O2L 9692 0 0 0 - 6.500000e-019698 9696 OS4 SLES 1 11.0248 36.3785 -35.2298 O2L 9692 0 0 0 - 6.500000e-019699 9697 C2 SLES 1 10.8638 33.7077 -34.6021 CC32A 9693 9698 9699 9700 - 1.100000e-019700 9698 H2A SLES 1 9.88315 34.1075 -34.2314 HCA2 9697 0 0 0 9.000000e-029701 9699 H2B SLES 1 11.6878 34.0211 -33.9075 HCA2 9697 0 0 0 9.000000e-029702 9700 C1 SLES 1 10.8199 32.1746 -34.7789 CC32A 9697 9701 9702 9703 - 1.000000e-029703 9701 H1B SLES 1 10.0145 31.8773 -35.4995 HCA2 9700 0 0 0 9.000000e-029704 9702 H1A SLES 1 11.7986 31.7895 -35.1571 HCA2 9700 0 0 0 9.000000e-029705 9703 O1 SLES 1 10.5763 31.3797 -33.664 OC30A 9700 9704 0 0 - 3.400000e-019706 9704 C2 SLES 1 10.3596 32.0247 -32.4223 CC32A 9703 9705 9706 9707 - 1.000000e-029707 9705 H2A SLES 1 9.46866 32.7128 -32.4865 HCA2 9704 0 0 0 9.000000e-029708 9706 H2B SLES 1 11.2481 32.626 -32.1182 HCA2 9704 0 0 0 9.000000e-029709 9707 C1 SLES 1 10.0263 30.6039 -31.8383 CC32A 9704 9708 9709 9710 - 1.000000e-029710 9708 H1B SLES 1 9.0125 30.9396 -31.583 HCA2 9707 0 0 0 9.000000e-029711 9709 H1A SLES 1 10.9792 30.836 -31.238 HCA2 9707 0 0 0 9.000000e-029712 9710 O1 SLES 1 10.027 29.5005 -30.9696 OC30A 9707 9711 0 0 - 3.400000e-019713 9711 C1 SLES 1 9.6512 29.7127 -29.6162 CTL2 9710 9712 9713 9714 - 1.800000e-019714 9712 H11 SLES 1 8.71376 30.314 -29.452 HAL2 9711 0 0 0 9.000000e-029715 9713 H12 SLES 1 10.4734 30.229 -29.0596 HAL2 9711 0 0 0 9.000000e-029716 9714 C2 SLES 1 9.47641 28.2585 -29.1806 CTL2 9711 9715 9716 9717 - 1.800000e-019717 9715 H21 SLES 1 8.62232 27.7431 -29.6821 HAL2 9714 0 0 0 9.000000e-029718 9716 H22 SLES 1 10.4007 27.6459 -29.3172 HAL2 9714 0 0 0 9.000000e-029719 9717 C3 SLES 1 9.19148 28.3783 -27.7381 CTL2 9714 9718 9719 9720 - 1.800000e-019720 9718 H31 SLES 1 8.25916 29.0034 -27.6795 HAL2 9717 0 0 0 9.000000e-029721 9719 H32 SLES 1 10.0866 28.9078 -27.309 HAL2 9717 0 0 0 9.000000e-029722 9720 C4 SLES 1 8.95969 27.1699 -26.8902 CTL2 9717 9721 9722 9723 - 1.800000e-019723 9721 H41 SLES 1 8.07796 26.5838 -27.249 HAL2 9720 0 0 0 9.000000e-029724 9722 H42 SLES 1 9.8471 26.4943 -26.8931 HAL2 9720 0 0 0 9.000000e-029725 9723 C5 SLES 1 8.72706 27.8871 -25.5536 CTL2 9720 9724 9725 9726 - 1.800000e-019726 9724 H51 SLES 1 7.86863 28.6056 -25.6367 HAL2 9723 0 0 0 9.000000e-029727 9725 H52 SLES 1 9.61645 28.5158 -25.285 HAL2 9723 0 0 0 9.000000e-029728 9726 C6 SLES 1 8.44851 27.0462 -24.3837 CTL2 9723 9727 9728 9729 - 1.800000e-019729 9727 H61 SLES 1 7.46828 27.4036 -23.9663 HAL2 9726 0 0 0 9.000000e-029730 9728 H62 SLES 1 9.22097 27.3134 -23.6135 HAL2 9726 0 0 0 9.000000e-029731 9729 C7 SLES 1 8.41704 25.53 -24.6114 CTL2 9726 9730 9731 9732 - 1.800000e-019732 9730 H71 SLES 1 7.61409 25.1928 -25.3087 HAL2 9729 0 0 0 9.000000e-029733 9731 H72 SLES 1 9.38849 25.1016 -24.9513 HAL2 9729 0 0 0 9.000000e-029734 9732 C8 SLES 1 8.11411 25.0916 -23.2245 CTL2 9729 9733 9734 9735 - 1.800000e-019735 9733 H81 SLES 1 7.13779 25.5778 -22.9444 HAL2 9732 0 0 0 9.000000e-029736 9734 H82 SLES 1 8.95037 25.4856 -22.5797 HAL2 9732 0 0 0 9.000000e-029737 9735 C9 SLES 1 7.97574 23.6442 -22.904 CTL2 9732 9736 9737 9738 - 1.800000e-019738 9736 H91 SLES 1 7.14471 23.1973 -23.4943 HAL2 9735 0 0 0 9.000000e-029739 9737 H92 SLES 1 8.92268 23.1069 -23.136 HAL2 9735 0 0 0 9.000000e-029740 9738 C10 SLES 1 7.6785 23.7236 -21.408 CTL2 9735 9739 9740 9741 - 1.800000e-019741 9739 H10 SLES 1 6.75493 24.3393 -21.2343 HAL2 9738 0 0 0 9.000000e-029742 9740 H10 SLES 1 8.5196 24.249 -20.879 HAL2 9738 0 0 0 9.000000e-029743 9741 C11 SLES 1 7.47527 22.4066 -20.7321 CTL2 9738 9742 9743 9744 - 1.800000e-019744 9742 H11 SLES 1 6.62633 21.8977 -21.2453 HAL2 9741 0 0 0 9.000000e-029745 9743 H11 SLES 1 8.40165 21.8067 -20.8883 HAL2 9741 0 0 0 9.000000e-029746 9744 C12 SLES 1 7.18749 22.6394 -19.2462 CTL3 9741 9745 9746 9747 - 2.700000e-019747 9745 H12 SLES 1 6.18328 22.2504 -18.9886 HAL3 9744 0 0 0 9.000000e-029748 9746 H12 SLES 1 7.97099 22.159 -18.6282 HAL3 9744 0 0 0 9.000000e-029749 9747 H12 SLES 1 7.18904 23.7242 -18.9766 HAL3 9744 0 0 0 9.000000e-029750 9748 NA SLES 1 -2.36621 36.0682 -38.541 NA 0 0 0 0 1 .000000e+009751 9749 S SLES 1 -4.42794 36.8596 -36.468 SL 9750 9751 9752 9753 1.33 0000e+009752 9750 OS1 SLES 1 -3.71318 35.7173 -35.8733 OSL 9749 9754 0 0 - 2.800000e-019753 9751 OS2 SLES 1 -4.78428 36.0703 -37.6258 O2L 9749 0 0 0 - 6.500000e-019754 9752 OS3 SLES 1 -3.19628 37.6048 -36.5902 O2L 9749 0 0 0 - 6.500000e-019755 9753 OS4 SLES 1 -5.4323 37.2593 -35.5228 O2L 9749 0 0 0 - 6.500000e-019756 9754 C2 SLES 1 -3.90894 35.1488 -34.6406 CC32A 9750 9755 9756 9757 - 1.100000e-019757 9755 H2A SLES 1 -4.95496 34.7539 -34.5465 HCA2 9754 0 0 0 9.000000e-029758 9756 H2B SLES 1 -3.70817 35.8891 -33.8213 HCA2 9754 0 0 0 9.000000e-029759 9757 C1 SLES 1 -2.87054 34.0063 -34.6433 CC32A 9754 9758 9759 9760 - 1.000000e-029760 9758 H1B SLES 1 -3.06274 33.2922 -35.4856 HCA2 9757 0 0 0 9.000000e-029761 9759 H1A SLES 1 -1.83389 34.4111 -34.7468 HCA2 9757 0 0 0 9.000000e-029762 9760 O1 SLES 1 -2.77907 33.1833 -33.526 OC30A 9757 9761 0 0 - 3.400000e-019763 9761 C2 SLES 1 -3.66343 33.4262 -32.4473 CC32A 9760 9762 9763 9764 - 1.000000e-029764 9762 H2A SLES 1 -4.73434 33.3329 -32.7877 HCA2 9761 0 0 0 9.000000e-029765 9763 H2B SLES 1 -3.51567 34.4477 -32.025 HCA2 9761 0 0 0 9.000000e-029766 9764 C1 SLES 1 -3.08746 32.1191 -31.7911 CC32A 9761 9765 9766 9767 - 1.000000e-029767 9765 H1B SLES 1 -4.08594 31.6626 -31.8086 HCA2 9764 0 0 0 9.000000e-029768 9766 H1A SLES 1 -2.71892 32.8933 -31.0248 HCA2 9764 0 0 0 9.000000e-029769 9767 O1 SLES 1 -2.55833 31.2516 -30.8218 OC30A 9764 9768 0 0 - 3.400000e-019770 9768 C1 SLES 1 -3.29169 31.0619 -29.6201 CTL2 9767 9769 9770 9771 - 1.800000e-019771 9769 H11 SLES 1 -4.39234 30.858 -29.7397 HAL2 9768 0 0 0 9.000000e-029772 9770 H12 SLES 1 -3.19458 31.9591 -28.9582 HAL2 9768 0 0 0 9.000000e-029773 9771 C2 SLES 1 -2.54619 29.8475 -29.0683 CTL2 9768 9772 9773 9774 - 1.800000e-019774 9772 H21 SLES 1 -2.67961 28.9257 -29.6839 HAL2 9771 0 0 0 9.000000e-029775 9773 H22 SLES 1 -1.45383 30.0324 -28.9236 HAL2 9771 0 0 0 9.000000e-029776 9774 C3 SLES 1 -3.17541 29.6455 -27.7494 CTL2 9771 9775 9776 9777 - 1.800000e-019777 9775 H31 SLES 1 -4.26286 29.4697 -27.9728 HAL2 9774 0 0 0 9.000000e-029778 9776 H32 SLES 1 -3.00507 30.6103 -27.1963 HAL2 9774 0 0 0 9.000000e-029779 9777 C4 SLES 1 -2.7342 28.5451 -26.8397 CTL2 9774 9778 9779 9780 - 1.800000e-019780 9778 H41 SLES 1 -2.87419 27.543 -27.3152 HAL2 9777 0 0 0 9.000000e-029781 9779 H42 SLES 1 -1.65794 28.6498 -26.5666 HAL2 9777 0 0 0 9.000000e-029782 9780 C5 SLES 1 -3.70112 28.8239 -25.6811 CTL2 9777 9781 9782 9783 - 1.800000e-019783 9781 H51 SLES 1 -4.76492 28.7761 -26.0361 HAL2 9780 0 0 0 9.000000e-029784 9782 H52 SLES 1 -3.56242 29.8684 -25.2962 HAL2 9780 0 0 0 9.000000e-029785 9783 C6 SLES 1 -3.61663 27.9397 -24.513 CTL2 9780 9784 9785 9786 - 1.800000e-019786 9784 H61 SLES 1 -4.64533 27.511 -24.3687 HAL2 9783 0 0 0 9.000000e-029787 9785 H62 SLES 1 -3.43936 28.6062 -23.6266 HAL2 9783 0 0 0 9.000000e-029788 9786 C7 SLES 1 -2.56852 26.8215 -24.5642 CTL2 9783 9787 9788 9789 - 1.800000e-019789 9787 H71 SLES 1 -2.73798 26.0781 -25.3786 HAL2 9786 0 0 0 9.000000e-029790 9788 H72 SLES 1 -1.51726 27.1871 -24.6271 HAL2 9786 0 0 0 9.000000e-029791 9789 C8 SLES 1 -2.82316 26.2015 -23.2382 CTL2 9786 9790 9791 9792 - 1.800000e-019792 9790 H81 SLES 1 -3.90216 25.8792 -23.2409 HAL2 9789 0 0 0 9.000000e-029793 9791 H82 SLES 1 -2.65571 27.0126 -22.4737 HAL2 9789 0 0 0 9.000000e-029794 9792 C9 SLES 1 -2.02878 25.0245 -22.7905 CTL2 9789 9793 9794 9795 - 1.800000e-019795 9793 H91 SLES 1 -2.17044 24.1745 -23.4949 HAL2 9792 0 0 0 9.000000e-029796 9794 H92 SLES 1 -0.947903 25.2863 -22.7418 HAL2 9792 0 0 0 9.000000e-029797 9795 C10 SLES 1 -2.65253 24.7809 -21.4179 CTL2 9792 9796 9797 9798 - 1.800000e-019798 9796 H10 SLES 1 -3.7554 24.5964 -21.5268 HAL2 9795 0 0 0 9.000000e-029799 9797 H10 SLES 1 -2.54162 25.6995 -20.7796 HAL2 9795 0 0 0 9.000000e-029800 9798 C11 SLES 1 -2.07701 23.6318 -20.6557 CTL2 9795 9799 9800 9801 - 1.800000e-019801 9799 H11 SLES 1 -2.20834 22.719 -21.2823 HAL2 9798 0 0 0 9.000000e-029802 9800 H11 SLES 1 -0.986977 23.8286 -20.531 HAL2 9798 0 0 0 9.000000e-029803 9801 C12 SLES 1 -2.79437 23.5078 -19.3086 CTL3 9798 9802 9803 9804 - 2.700000e-019804 9802 H12 SLES 1 -3.30145 22.526 -19.2376 HAL3 9801 0 0 0 9.000000e-029805 9803 H12 SLES 1 -2.07198 23.6435 -18.4802 HAL3 9801 0 0 0 9.000000e-029806 9804 H12 SLES 1 -3.5848 24.2865 -19.1733 HAL3 9801 0 0 0 9.000000e-029807 9805 NA SLES 1 -16.6883 32.7175 -38.111 NA 0 0 0 0 1 .000000e+009808 9806 S SLES 1 -19.083 31.5965 -36.6335 SL 9807 9808 9809 9810 1.33 0000e+009809 9807 OS1 SLES 1 -17.9148 31.1407 -35.8609 OSL 9806 9811 0 0 - 2.800000e-019810 9808 OS2 SLES 1 -18.5715 30.9683 -37.8312 O2L 9806 0 0 0 - 6.500000e-019811 9809 OS3 SLES 1 -18.6995 32.9779 -36.4548 O2L 9806 0 0 0 - 6.500000e-019812 9810 OS4 SLES 1 -20.2467 31.0711 -35.9765 O2L 9806 0 0 0 - 6.500000e-019813 9811 C2 SLES 1 -17.9036 30.3981 -34.7078 CC32A 9807 9812 9813 9814 - 1.100000e-019814 9812 H2A SLES 1 -18.3898 29.4004 -34.8727 HCA2 9811 0 0 0 9.000000e-029815 9813 H2B SLES 1 -18.4257 30.9413 -33.876 HCA2 9811 0 0 0 9.000000e-029816 9814 C1 SLES 1 -16.3915 30.2524 -34.4323 CC32A 9811 9815 9816 9817 - 1.000000e-029817 9815 H1B SLES 1 -15.8767 29.7376 -35.2846 HCA2 9814 0 0 0 9.000000e-029818 9816 H1A SLES 1 -15.9168 31.2526 -34.279 HCA2 9814 0 0 0 9.000000e-029819 9817 O1 SLES 1 -15.9816 29.5328 -33.3151 OC30A 9814 9818 0 0 - 3.400000e-019820 9818 C2 SLES 1 -16.9797 28.951 -32.4963 CC32A 9817 9819 9820 9821 - 1.000000e-029821 9819 H2A SLES 1 -17.6051 28.2268 -33.0928 HCA2 9818 0 0 0 9.000000e-029822 9820 H2B SLES 1 -17.6542 29.7281 -32.0665 HCA2 9818 0 0 0 9.000000e-029823 9821 C1 SLES 1 -15.8088 28.2728 -31.6963 CC32A 9818 9822 9823 9824 - 1.000000e-029824 9822 H1B SLES 1 -16.1979 27.2795 -31.9564 HCA2 9821 0 0 0 9.000000e-029825 9823 H1A SLES 1 -16.2255 28.9606 -30.8743 HCA2 9821 0 0 0 9.000000e-029826 9824 O1 SLES 1 -15.0315 27.8348 -30.6119 OC30A 9821 9825 0 0 - 3.400000e-019827 9825 C1 SLES 1 -15.6517 27.0173 -29.6295 CTL2 9824 9826 9827 9828 - 1.800000e-019828 9826 H11 SLES 1 -16.2654 26.1572 -30.0179 HAL2 9825 0 0 0 9.000000e-029829 9827 H12 SLES 1 -16.3235 27.6317 -28.9786 HAL2 9825 0 0 0 9.000000e-029830 9828 C2 SLES 1 -14.4044 26.5361 -28.8895 CTL2 9825 9829 9830 9831 - 1.800000e-019831 9829 H21 SLES 1 -13.7503 25.8723 -29.5045 HAL2 9828 0 0 0 9.000000e-029832 9830 H22 SLES 1 -13.7884 27.3728 -28.4787 HAL2 9828 0 0 0 9.000000e-029833 9831 C3 SLES 1 -14.9654 25.76 -27.7674 CTL2 9828 9832 9833 9834 - 1.800000e-019834 9832 H31 SLES 1 -15.5688 24.9457 -28.2535 HAL2 9831 0 0 0 9.000000e-029835 9833 H32 SLES 1 -15.6106 26.4897 -27.2045 HAL2 9831 0 0 0 9.000000e-029836 9834 C4 SLES 1 -14.0796 25.1029 -26.7591 CTL2 9831 9835 9836 9837 - 1.800000e-019837 9835 H41 SLES 1 -13.4026 24.3536 -27.2388 HAL2 9834 0 0 0 9.000000e-029838 9836 H42 SLES 1 -13.4451 25.8497 -26.2267 HAL2 9834 0 0 0 9.000000e-029839 9837 C5 SLES 1 -15.1758 24.4798 -25.8843 CTL2 9834 9838 9839 9840 - 1.800000e-019840 9838 H51 SLES 1 -15.8244 23.7959 -26.4939 HAL2 9837 0 0 0 9.000000e-029841 9839 H52 SLES 1 -15.8651 25.2737 -25.4934 HAL2 9837 0 0 0 9.000000e-029842 9840 C6 SLES 1 -14.739 23.7028 -24.7187 CTL2 9837 9841 9842 9843 - 1.800000e-019843 9841 H61 SLES 1 -15.1997 22.6838 -24.83 HAL2 9840 0 0 0 9.000000e-029844 9842 H62 SLES 1 -15.2403 24.1657 -23.8267 HAL2 9840 0 0 0 9.000000e-029845 9843 C7 SLES 1 -13.2272 23.589 -24.488 CTL2 9840 9844 9845 9846 - 1.800000e-019846 9844 H71 SLES 1 -12.6819 23.0635 -25.3072 HAL2 9843 0 0 0 9.000000e-029847 9845 H72 SLES 1 -12.7233 24.5637 -24.2912 HAL2 9843 0 0 0 9.000000e-029848 9846 C8 SLES 1 -13.2404 22.7548 -23.2586 CTL2 9843 9847 9848 9849 - 1.800000e-019849 9847 H81 SLES 1 -13.7806 21.8038 -23.5266 HAL2 9846 0 0 0 9.000000e-029850 9848 H82 SLES 1 -13.8238 23.3365 -22.4893 HAL2 9846 0 0 0 9.000000e-029851 9849 C9 SLES 1 -11.964 22.3499 -22.6078 CTL2 9846 9850 9851 9852 - 1.800000e-019852 9850 H91 SLES 1 -11.3476 21.7474 -23.3119 HAL2 9849 0 0 0 9.000000e-029853 9851 H92 SLES 1 -11.39 23.2506 -22.2939 HAL2 9849 0 0 0 9.000000e-029854 9852 C10 SLES 1 -12.5032 21.5385 -21.4316 CTL2 9849 9853 9854 9855 - 1.800000e-019855 9853 H10 SLES 1 -13.1337 20.6893 -21.8106 HAL2 9852 0 0 0 9.000000e-029856 9854 H10 SLES 1 -13.1753 22.1814 -20.8004 HAL2 9852 0 0 0 9.000000e-029857 9855 C11 SLES 1 -11.4609 20.9585 -20.5317 CTL2 9852 9856 9857 9858 - 1.800000e-019858 9856 H11 SLES 1 -10.8094 20.3044 -21.1568 HAL2 9855 0 0 0 9.000000e-029859 9857 H11 SLES 1 -10.8509 21.8056 -20.1409 HAL2 9855 0 0 0 9.000000e-029860 9858 C12 SLES 1 -12.1428 20.1764 -19.4056 CTL3 9855 9859 9860 9861 - 2.700000e-019861 9859 H12 SLES 1 -11.8442 19.111 -19.4486 HAL3 9858 0 0 0 9.000000e-029862 9860 H12 SLES 1 -11.8865 20.6224 -18.4248 HAL3 9858 0 0 0 9.000000e-029863 9861 H12 SLES 1 -13.2575 20.1995 -19.4849 HAL3 9858 0 0 0 9.000000e-029864 9862 NA SLES 1 -29.001 23.6242 -37.597 NA 0 0 0 0 1 .000000e+009865 9863 S SLES 1 -30.1092 20.912 -36.8285 SL 9864 9865 9866 9867 1.33 0000e+009866 9864 OS1 SLES 1 -29.0448 21.1777 -35.8458 OSL 9863 9868 0 0 - 2.800000e-019867 9865 OS2 SLES 1 -29.1763 21.0653 -37.9226 O2L 9863 0 0 0 - 6.500000e-019868 9866 OS3 SLES 1 -30.806 22.1179 -36.4443 O2L 9863 0 0 0 - 6.500000e-019869 9867 OS4 SLES 1 -30.6542 19.6217 -36.5126 O2L 9863 0 0 0 - 6.500000e-019870 9868 C2 SLES 1 -28.6541 20.3914 -34.7921 CC32A 9864 9869 9870 9871 - 1.100000e-019871 9869 H2A SLES 1 -28.2967 19.3912 -35.1536 HCA2 9868 0 0 0 9.000000e-029872 9870 H2B SLES 1 -29.4952 20.2523 -34.0622 HCA2 9868 0 0 0 9.000000e-029873 9871 C1 SLES 1 -27.5015 21.218 -34.1824 CC32A 9868 9872 9873 9874 - 1.000000e-029874 9872 H1B SLES 1 -26.6829 21.3774 -34.9313 HCA2 9871 0 0 0 9.000000e-029875 9873 H1A SLES 1 -27.8675 22.2152 -33.8346 HCA2 9871 0 0 0 9.000000e-029876 9874 O1 SLES 1 -26.8371 20.7182 -33.0675 OC30A 9871 9875 0 0 - 3.400000e-019877 9875 C2 SLES 1 -27.2428 19.4598 -32.5608 CC32A 9874 9876 9877 9878 - 1.000000e-029878 9876 H2A SLES 1 -27.1252 18.6619 -33.3489 HCA2 9875 0 0 0 9.000000e-029879 9877 H2B SLES 1 -28.3092 19.4792 -32.2354 HCA2 9875 0 0 0 9.000000e-029880 9878 C1 SLES 1 -26.0264 19.561 -31.5704 CC32A 9875 9879 9880 9881 - 1.000000e-029881 9879 H1B SLES 1 -25.5918 18.6491 -32.0008 HCA2 9878 0 0 0 9.000000e-029882 9880 H1A SLES 1 -26.8905 19.5974 -30.8126 HCA2 9878 0 0 0 9.000000e-029883 9881 O1 SLES 1 -25.2891 19.5126 -30.3762 OC30A 9878 9882 0 0 - 3.400000e-019884 9882 C1 SLES 1 -25.28 18.296 -29.6429 CTL2 9881 9883 9884 9885 - 1.800000e-019885 9883 H11 SLES 1 -25.0837 17.3612 -30.2386 HAL2 9882 0 0 0 9.000000e-029886 9884 H12 SLES 1 -26.2571 18.1504 -29.1171 HAL2 9882 0 0 0 9.000000e-029887 9885 C2 SLES 1 -24.1378 18.6027 -28.6753 CTL2 9882 9886 9887 9888 - 1.800000e-019888 9886 H21 SLES 1 -23.1433 18.693 -29.1749 HAL2 9885 0 0 0 9.000000e-029889 9887 H22 SLES 1 -24.3188 19.5171 -28.0593 HAL2 9885 0 0 0 9.000000e-029890 9888 C3 SLES 1 -24.1304 17.4233 -27.7892 CTL2 9885 9889 9890 9891 - 1.800000e-019891 9889 H31 SLES 1 -23.9475 16.5502 -28.473 HAL2 9888 0 0 0 9.000000e-029892 9890 H32 SLES 1 -25.1582 17.398 -27.3322 HAL2 9888 0 0 0 9.000000e-029893 9891 C4 SLES 1 -23.156 17.3057 -26.6624 CTL2 9888 9892 9893 9894 - 1.800000e-019894 9892 H41 SLES 1 -22.1014 17.3191 -27.033 HAL2 9891 0 0 0 9.000000e-029895 9893 H42 SLES 1 -23.2755 18.1402 -25.9322 HAL2 9891 0 0 0 9.000000e-029896 9894 C5 SLES 1 -23.6098 15.9405 -26.1281 CTL2 9891 9895 9896 9897 - 1.800000e-019897 9895 H51 SLES 1 -23.5352 15.1592 -26.9307 HAL2 9894 0 0 0 9.000000e-029898 9896 H52 SLES 1 -24.6941 15.971 -25.8423 HAL2 9894 0 0 0 9.000000e-029899 9897 C6 SLES 1 -22.892 15.4061 -24.9651 CTL2 9894 9898 9899 9900 - 1.800000e-019900 9898 H61 SLES 1 -22.5076 14.3953 -25.2706 HAL2 9897 0 0 0 9.000000e-029901 9899 H62 SLES 1 -23.6697 15.2093 -24.1791 HAL2 9897 0 0 0 9.000000e-029902 9900 C7 SLES 1 -21.7566 16.2655 -24.3961 CTL2 9897 9901 9902 9903 - 1.800000e-019903 9901 H71 SLES 1 -20.9124 16.4298 -25.1068 HAL2 9900 0 0 0 9.000000e-029904 9902 H72 SLES 1 -22.089 17.2537 -24.0016 HAL2 9900 0 0 0 9.000000e-029905 9903 C8 SLES 1 -21.3288 15.3801 -23.2823 CTL2 9900 9904 9905 9906 - 1.800000e-019906 9904 H81 SLES 1 -21.0307 14.4011 -23.7522 HAL2 9903 0 0 0 9.000000e-029907 9905 H82 SLES 1 -22.2333 15.2425 -22.624 HAL2 9903 0 0 0 9.000000e-029908 9906 C9 SLES 1 -20.2084 15.781 -22.3875 CTL2 9903 9907 9908 9909 - 1.800000e-019909 9907 H91 SLES 1 -19.2731 15.9106 -22.9767 HAL2 9906 0 0 0 9.000000e-029910 9908 H92 SLES 1 -20.4527 16.7356 -21.8696 HAL2 9906 0 0 0 9.000000e-029911 9909 C10 SLES 1 -20.1671 14.5783 -21.447 CTL2 9906 9910 9911 9912 - 1.800000e-019912 9910 H10 SLES 1 -19.9914 13.6382 -22.0366 HAL2 9909 0 0 0 9.000000e-029913 9911 H10 SLES 1 -21.1619 14.4575 -20.9378 HAL2 9909 0 0 0 9.000000e-029914 9912 C11 SLES 1 -19.1216 14.6433 -20.3815 CTL2 9909 9913 9914 9915 - 1.800000e-019915 9913 H11 SLES 1 -18.1346 14.7412 -20.8906 HAL2 9912 0 0 0 9.000000e-029916 9914 H11 SLES 1 -19.3119 15.5658 -19.7854 HAL2 9912 0 0 0 9.000000e-029917 9915 C12 SLES 1 -19.1972 13.3793 -19.5204 CTL3 9912 9916 9917 9918 - 2.700000e-019918 9916 H12 SLES 1 -18.2446 12.8185 -19.5851 HAL3 9915 0 0 0 9.000000e-029919 9917 H12 SLES 1 -19.4304 13.6481 -18.4717 HAL3 9915 0 0 0 9.000000e-029920 9918 H12 SLES 1 -20.0027 12.6815 -19.8575 HAL3 9915 0 0 0 9.000000e-029921 9919 NA SLES 1 -36.7926 9.73079 -37.0878 NA 0 0 0 0 1 .000000e+009922 9920 S SLES 1 -35.751 6.88741 -37.0195 SL 9921 9922 9923 9924 1.33 0000e+009923 9921 OS1 SLES 1 -35.1679 7.53226 -35.8306 OSL 9920 9925 0 0 - 2.800000e-019924 9922 OS2 SLES 1 -35.1646 7.88688 -37.8843 O2L 9920 0 0 0 - 6.500000e-019925 9923 OS3 SLES 1 -37.0886 7.18326 -36.5605 O2L 9920 0 0 0 - 6.500000e-019926 9924 OS4 SLES 1 -35.268 5.53531 -37.0382 O2L 9920 0 0 0 - 6.500000e-019927 9925 C2 SLES 1 -34.356 6.97007 -34.8788 CC32A 9921 9926 9927 9928 - 1.100000e-019928 9926 H2A SLES 1 -33.4067 6.58955 -35.3405 HCA2 9925 0 0 0 9.000000e-029929 9927 H2B SLES 1 -34.8813 6.13261 -34.3476 HCA2 9925 0 0 0 9.000000e-029930 9928 C1 SLES 1 -34.0886 8.16359 -33.9367 CC32A 9925 9929 9930 9931 - 1.000000e-029931 9929 H1B SLES 1 -33.5933 9.00525 -34.4868 HCA2 9928 0 0 0 9.000000e-029932 9930 H1A SLES 1 -35.0418 8.53958 -33.4905 HCA2 9928 0 0 0 9.000000e-029933 9931 O1 SLES 1 -33.274 7.9695 -32.8263 OC30A 9928 9932 0 0 - 3.400000e-019934 9932 C2 SLES 1 -32.7133 6.68427 -32.6298 CC32A 9931 9933 9934 9935 - 1.000000e-029935 9933 H2A SLES 1 -32.0729 6.39532 -33.5117 HCA2 9932 0 0 0 9.000000e-029936 9934 H2B SLES 1 -33.5072 5.91151 -32.5026 HCA2 9932 0 0 0 9.000000e-029937 9935 C1 SLES 1 -31.9068 7.31142 -31.4352 CC32A 9932 9936 9937 9938 - 1.000000e-029938 9936 H1B SLES 1 -30.9611 7.06168 -31.9341 HCA2 9935 0 0 0 9.000000e-029939 9937 H1A SLES 1 -32.5694 6.57585 -30.8502 HCA2 9935 0 0 0 9.000000e-029940 9938 O1 SLES 1 -31.3491 7.46491 -30.1556 OC30A 9935 9939 0 0 - 3.400000e-019941 9939 C1 SLES 1 -30.5172 6.42654 -29.6579 CTL2 9938 9940 9941 9942 - 1.800000e-019942 9940 H11 SLES 1 -29.7277 6.0446 -30.3637 HAL2 9939 0 0 0 9.000000e-029943 9941 H12 SLES 1 -31.1351 5.54578 -29.3498 HAL2 9939 0 0 0 9.000000e-029944 9942 C2 SLES 1 -29.9052 7.15567 -28.4626 CTL2 9939 9943 9944 9945 - 1.800000e-019945 9943 H21 SLES 1 -29.2371 8.00215 -28.752 HAL2 9942 0 0 0 9.000000e-029946 9944 H22 SLES 1 -30.6698 7.52818 -27.7381 HAL2 9942 0 0 0 9.000000e-029947 9945 C3 SLES 1 -29.1017 6.1041 -27.8109 CTL2 9942 9946 9947 9948 - 1.800000e-019948 9946 H31 SLES 1 -28.3632 5.7791 -28.5934 HAL2 9945 0 0 0 9.000000e-029949 9947 H32 SLES 1 -29.8381 5.29222 -27.5572 HAL2 9945 0 0 0 9.000000e-029950 9948 C4 SLES 1 -28.3231 6.38224 -26.5661 CTL2 9945 9949 9950 9951 - 1.800000e-019951 9949 H41 SLES 1 -27.5599 7.18181 -26.7334 HAL2 9948 0 0 0 9.000000e-029952 9950 H42 SLES 1 -28.9894 6.71028 -25.7341 HAL2 9948 0 0 0 9.000000e-029953 9951 C5 SLES 1 -27.7245 4.98278 -26.3703 CTL2 9948 9952 9953 9954 - 1.800000e-019954 9952 H51 SLES 1 -27.1267 4.68092 -27.2711 HAL2 9951 0 0 0 9.000000e-029955 9953 H52 SLES 1 -28.5386 4.21595 -26.2827 HAL2 9951 0 0 0 9.000000e-029956 9954 C6 SLES 1 -26.8479 4.78753 -25.2098 CTL2 9951 9955 9956 9957 - 1.800000e-019957 9955 H61 SLES 1 -25.8724 4.40334 -25.6143 HAL2 9954 0 0 0 9.000000e-029958 9956 H62 SLES 1 -27.2882 3.93716 -24.623 HAL2 9954 0 0 0 9.000000e-029959 9957 C7 SLES 1 -26.6152 6.00307 -24.3044 CTL2 9954 9958 9959 9960 - 1.800000e-019960 9958 H71 SLES 1 -26.105 6.85553 -24.812 HAL2 9957 0 0 0 9.000000e-029961 9959 H72 SLES 1 -27.5383 6.38325 -23.8084 HAL2 9957 0 0 0 9.000000e-029962 9960 C8 SLES 1 -25.709 5.38021 -23.3052 CTL2 9957 9961 9962 9963 - 1.800000e-019963 9961 H81 SLES 1 -24.8164 5.00271 -23.8786 HAL2 9960 0 0 0 9.000000e-029964 9962 H82 SLES 1 -26.2808 4.51988 -22.8543 HAL2 9960 0 0 0 9.000000e-029965 9963 C9 SLES 1 -25.1766 6.1798 -22.1676 CTL2 9960 9964 9965 9966 - 1.800000e-019966 9964 H91 SLES 1 -24.5776 7.03747 -22.5475 HAL2 9963 0 0 0 9.000000e-029967 9965 H92 SLES 1 -26.0139 6.56351 -21.5424 HAL2 9963 0 0 0 9.000000e-029968 9966 C10 SLES 1 -24.333 5.12057 -21.4613 CTL2 9963 9967 9968 9969 - 1.800000e-019969 9967 H10 SLES 1 -23.5549 4.71972 -22.1657 HAL2 9966 0 0 0 9.000000e-029970 9968 H10 SLES 1 -24.9805 4.24986 -21.168 HAL2 9966 0 0 0 9.000000e-029971 9969 C11 SLES 1 -23.627 5.59024 -20.231 CTL2 9966 9970 9971 9972 - 1.800000e-019972 9970 H11 SLES 1 -22.9694 6.43959 -20.5296 HAL2 9969 0 0 0 9.000000e-029973 9971 H11 SLES 1 -24.4036 5.96735 -19.526 HAL2 9969 0 0 0 9.000000e-029974 9972 C12 SLES 1 -22.8257 4.43032 -19.6332 CTL3 9969 9973 9974 9975 - 2.700000e-019975 9973 H12 SLES 1 -21.7468 4.67955 -19.6236 HAL3 9972 0 0 0 9.000000e-029976 9974 H12 SLES 1 -23.1908 4.20318 -18.6127 HAL3 9972 0 0 0 9.000000e-029977 9975 H12 SLES 1 -22.9312 3.48896 -20.2266 HAL3 9972 0 0 0 9.000000e-029978 9976 NA SLES 1 -37.9919 -6.69734 -36.6716 NA 0 0 0 0 1 .000000e+009979 9977 S SLES 1 -35.3079 -8.00833 -37.1733 SL 9978 9979 9980 9981 1.33 0000e+009980 9978 OS1 SLES 1 -35.204 -7.4409 -35.8181 OSL 9977 9982 0 0 - 2.800000e-019981 9979 OS2 SLES 1 -35.6298 -6.71024 -37.7228 O2L 9977 0 0 0 - 6.500000e-019982 9980 OS3 SLES 1 -36.4463 -8.80786 -36.7834 O2L 9977 0 0 0 - 6.500000e-019983 9981 OS4 SLES 1 -34.0453 -8.62803 -37.4625 O2L 9977 0 0 0 - 6.500000e-019984 9982 C2 SLES 1 -34.1419 -7.51146 -34.9531 CC32A 9978 9983 9984 9985 - 1.100000e-019985 9983 H2A SLES 1 -33.2318 -7.03205 -35.4012 HCA2 9982 0 0 0 9.000000e-029986 9984 H2B SLES 1 -33.915 -8.57685 -34.683 HCA2 9982 0 0 0 9.000000e-029987 9985 C1 SLES 1 -34.6618 -6.71377 -33.7378 CC32A 9982 9986 9987 9988 - 1.000000e-029988 9986 H1B SLES 1 -34.9153 -5.66125 -34.028 HCA2 9985 0 0 0 9.000000e-029989 9987 H1A SLES 1 -35.5732 -7.19548 -33.3061 HCA2 9985 0 0 0 9.000000e-029990 9988 O1 SLES 1 -33.8308 -6.56122 -32.6331 OC30A 9985 9989 0 0 - 3.400000e-019991 9989 C2 SLES 1 -32.5363 -7.13195 -32.6912 CC32A 9988 9990 9991 9992 - 1.000000e-029992 9990 H2A SLES 1 -31.9532 -6.6979 -33.5533 HCA2 9989 0 0 0 9.000000e-029993 9991 H2B SLES 1 -32.5873 -8.23825 -32.8219 HCA2 9989 0 0 0 9.000000e-029994 9992 C1 SLES 1 -32.2561 -6.42802 -31.314 CC32A 9989 9993 9994 9995 - 1.000000e-029995 9993 H1B SLES 1 -31.44 -5.85049 -31.7679 HCA2 9992 0 0 0 9.000000e-029996 9994 H1A SLES 1 -32.1935 -7.52682 -30.9806 HCA2 9992 0 0 0 9.000000e-029997 9995 O1 SLES 1 -31.8319 -6.24383 -29.988 OC30A 9992 9996 0 0 - 3.400000e-019998 9996 C1 SLES 1 -30.4766 -6.52913 -29.672 CTL2 9995 9997 9998 9999 - 1.800000e-019999 9997 H11 SLES 1 -29.7053 -6.10119 -30.3715 HAL2 9996 0 0 0 9.000000e-0210000 9998 H12 SLES 1 -30.3091 -7.63509 -29.6364 HAL2 9996 0 0 0 9.000000e-0210001 9999 C2 SLES 1 -30.4077 -5.88467 -28.2882 CTL2 9996 10000 10001 10002 - 1.800000e-0110002 10000 H21 SLES 1 -30.5136 -4.77336 -28.309 HAL2 9999 0 0 0 9.000000e-0210003 10001 H22 SLES 1 -31.1527 -6.30686 -27.5705 HAL2 9999 0 0 0 9.000000e-0210004 10002 C3 SLES 1 -29.0502 -6.23431 -27.8287 CTL2 9999 10003 10004 10005 - 1.800000e-0110005 10003 H31 SLES 1 -28.3618 -5.7828 -28.594 HAL2 10002 0 0 0 9.000000e-0210006 10004 H32 SLES 1 -29.021 -7.35893 -27.8408 HAL2 10002 0 0 0 9.000000e-0210007 10005 C4 SLES 1 -28.551 -5.80584 -26.487 CTL2 10002 10006 10007 10008 - 1.800000e-0110008 10006 H41 SLES 1 -28.5443 -4.692 -26.3918 HAL2 10005 0 0 0 9.000000e-0210009 10007 H42 SLES 1 -29.1839 -6.21822 -25.6666 HAL2 10005 0 0 0 9.000000e-0210010 10008 C5 SLES 1 -27.1519 -6.43113 -26.569 CTL2 10005 10009 10010 10011 - 1.800000e-0110011 10009 H51 SLES 1 -26.5931 -6.03037 -27.4563 HAL2 10008 0 0 0 9.000000e-0210012 10010 H52 SLES 1 -27.2253 -7.53761 -26.7385 HAL2 10008 0 0 0 9.000000e-0210013 10011 C6 SLES 1 -26.27 -6.24934 -25.4104 CTL2 10008 10012 10013 10014 - 1.800000e-0110014 10012 H61 SLES 1 -25.3328 -5.76815 -25.8015 HAL2 10011 0 0 0 9.000000e-0210015 10013 H62 SLES 1 -25.9668 -7.27952 -25.0816 HAL2 10011 0 0 0 9.000000e-0210016 10014 C7 SLES 1 -26.8335 -5.45092 -24.2286 CTL2 10011 10015 10016 10017 - 1.800000e-0110017 10015 H71 SLES 1 -27.0795 -4.39075 -24.4738 HAL2 10014 0 0 0 9.000000e-0210018 10016 H72 SLES 1 -27.7211 -5.92104 -23.745 HAL2 10014 0 0 0 9.000000e-0210019 10017 C8 SLES 1 -25.657 -5.5117 -23.3232 CTL2 10014 10018 10019 10020 - 1.800000e-0110020 10018 H81 SLES 1 -24.8008 -5.04215 -23.884 HAL2 10017 0 0 0 9.000000e-0210021 10019 H82 SLES 1 -25.4562 -6.60564 -23.1405 HAL2 10017 0 0 0 9.000000e-0210022 10020 C9 SLES 1 -25.6992 -4.85784 -21.9862 CTL2 10017 10021 10022 10023 - 1.800000e-0110023 10021 H91 SLES 1 -25.8718 -3.76407 -22.0984 HAL2 10020 0 0 0 9.000000e-0210024 10022 H92 SLES 1 -26.5142 -5.29789 -21.3687 HAL2 10020 0 0 0 9.000000e-0210025 10023 C10 SLES 1 -24.3021 -5.19864 -21.472 CTL2 10020 10024 10025 10026 - 1.800000e-0110026 10024 H10 SLES 1 -23.5264 -4.792 -22.1756 HAL2 10023 0 0 0 9.000000e-0210027 10025 H10 SLES 1 -24.1644 -6.31402 -21.4512 HAL2 10023 0 0 0 9.000000e-0210028 10026 C11 SLES 1 -23.9864 -4.68122 -20.1063 CTL2 10023 10027 10028 10029 - 1.800000e-0110029 10027 H11 SLES 1 -24.1028 -3.57279 -20.1363 HAL2 10026 0 0 0 9.000000e-0210030 10028 H11 SLES 1 -24.7451 -5.10374 -19.4075 HAL2 10026 0 0 0 9.000000e-0210031 10029 C12 SLES 1 -22.5626 -5.0958 -19.7245 CTL3 10026 10030 10031 10032 - 2.700000e-0110032 10030 H12 SLES 1 -21.9376 -4.19717 -19.5575 HAL3 10029 0 0 0 9.000000e-0210033 10031 H12 SLES 1 -22.5835 -5.73925 -18.8234 HAL3 10029 0 0 0 9.000000e-0210034 10032 H12 SLES 1 -22.0613 -5.68898 -20.5285 HAL3 10029 0 0 0 9.000000e-0210035 10033 NA SLES 1 -31.8053 -22.3732 -36.4203 NA 0 0 0 0 1 .000000e+0010036 10034 S SLES 1 -29.0729 -21.3743 -37.2633 SL 10035 10036 10037 10038 1.33 0000e+0010037 10035 OS1 SLES 1 -29.1293 -21.14 -35.8103 OSL 10034 10039 0 0 - 2.800000e-0110038 10036 OS2 SLES 1 -30.264 -20.5801 -37.4662 O2L 10034 0 0 0 - 6.500000e-0110039 10037 OS3 SLES 1 -29.3041 -22.7878 -37.0744 O2L 10034 0 0 0 - 6.500000e-0110040 10038 OS4 SLES 1 -27.7952 -20.8971 -37.7122 O2L 10034 0 0 0 - 6.500000e-0110041 10039 C2 SLES 1 -28.1536 -20.6147 -35.0021 CC32A 10035 10040 10041 10042 - 1.100000e-0110042 10040 H2A SLES 1 -27.8877 -19.5737 -35.3252 HCA2 10039 0 0 0 9.000000e-0210043 10041 H2B SLES 1 -27.2356 -21.2603 -35.0103 HCA2 10039 0 0 0 9.000000e-0210044 10042 C1 SLES 1 -28.8417 -20.6202 -33.62 CC32A 10039 10043 10044 10045 - 1.000000e-0210045 10043 H1B SLES 1 -29.7743 -19.9984 -33.6342 HCA2 10042 0 0 0 9.000000e-0210046 10044 H1A SLES 1 -29.1101 -21.6609 -33.3133 HCA2 10042 0 0 0 9.000000e-0210047 10045 O1 SLES 1 -28.139 -20.1374 -32.5213 OC30A 10042 10046 0 0 - 3.400000e-0110048 10046 C2 SLES 1 -26.8289 -19.6444 -32.7345 CC32A 10045 10047 10048 10049 - 1.000000e-0210049 10047 H2A SLES 1 -26.8455 -18.7866 -33.4662 HCA2 10046 0 0 0 9.000000e-0210050 10048 H2B SLES 1 -26.1582 -20.4387 -33.1379 HCA2 10046 0 0 0 9.000000e-0210051 10049 C1 SLES 1 -26.843 -19.1967 -31.2278 CC32A 10046 10050 10051 10052 - 1.000000e-0210052 10050 H1B SLES 1 -26.7115 -18.1496 -31.531 HCA2 10049 0 0 0 9.000000e-0210053 10051 H1A SLES 1 -26.0114 -19.9896 -31.1814 HCA2 10049 0 0 0 9.000000e-0210054 10052 O1 SLES 1 -26.4179 -19.0091 -29.9026 OC30A 10049 10053 0 0 - 3.400000e-0110055 10053 C1 SLES 1 -25.1851 -18.3383 -29.6827 CTL2 10052 10054 10055 10056 - 1.800000e-0110056 10054 H11 SLES 1 -25.0314 -17.3846 -30.2606 HAL2 10053 0 0 0 9.000000e-0210057 10055 H12 SLES 1 -24.3256 -19.012 -29.9275 HAL2 10053 0 0 0 9.000000e-0210058 10056 C2 SLES 1 -25.3128 -18.0786 -28.1823 CTL2 10053 10057 10058 10059 - 1.800000e-0110059 10057 H21 SLES 1 -26.1282 -17.3615 -27.9224 HAL2 10056 0 0 0 9.000000e-0210060 10058 H22 SLES 1 -25.4478 -19.0135 -27.5856 HAL2 10056 0 0 0 9.000000e-0210061 10059 C3 SLES 1 -24.0101 -17.477 -27.8397 CTL2 10056 10060 10061 10062 - 1.800000e-0110062 10060 H31 SLES 1 -23.9441 -16.5518 -28.4744 HAL2 10059 0 0 0 9.000000e-0210063 10061 H32 SLES 1 -23.2476 -18.2503 -28.1338 HAL2 10059 0 0 0 9.000000e-0210064 10062 C4 SLES 1 -23.6889 -17.068 -26.4388 CTL2 10059 10063 10064 10065 - 1.800000e-0110065 10063 H41 SLES 1 -24.4031 -16.2924 -26.0672 HAL2 10062 0 0 0 9.000000e-0210066 10064 H42 SLES 1 -23.7304 -17.9373 -25.7413 HAL2 10062 0 0 0 9.000000e-0210067 10065 C5 SLES 1 -22.2708 -16.5377 -26.6899 CTL2 10062 10066 10067 10068 - 1.800000e-0110068 10066 H51 SLES 1 -22.2877 -15.7157 -27.4541 HAL2 10065 0 0 0 9.000000e-0210069 10067 H52 SLES 1 -21.6234 -17.3408 -27.1308 HAL2 10065 0 0 0 9.000000e-0210070 10068 C6 SLES 1 -21.5406 -16.0089 -25.5322 CTL2 10065 10069 10070 10071 - 1.800000e-0110071 10069 H61 SLES 1 -21.2459 -14.9581 -25.8 HAL2 10068 0 0 0 9.000000e-0210072 10070 H62 SLES 1 -20.5798 -16.5877 -25.4756 HAL2 10068 0 0 0 9.000000e-0210073 10071 C7 SLES 1 -22.267 -16.0378 -24.182 CTL2 10068 10072 10073 10074 - 1.800000e-0110074 10072 H71 SLES 1 -23.191 -15.4134 -24.1507 HAL2 10071 0 0 0 9.000000e-0210075 10073 H72 SLES 1 -22.5163 -17.0631 -23.8223 HAL2 10071 0 0 0 9.000000e-0210076 10074 C8 SLES 1 -21.2072 -15.4343 -23.3333 CTL2 10071 10075 10076 10077 - 1.800000e-0110077 10075 H81 SLES 1 -20.9942 -14.4173 -23.7675 HAL2 10074 0 0 0 9.000000e-0210078 10076 H82 SLES 1 -20.3051 -16.1026 -23.433 HAL2 10074 0 0 0 9.000000e-0210079 10077 C9 SLES 1 -21.4304 -15.2358 -21.8747 CTL2 10074 10078 10079 10080 - 1.800000e-0110080 10078 H91 SLES 1 -22.2992 -14.5607 -21.707 HAL2 10077 0 0 0 9.000000e-0210081 10079 H92 SLES 1 -21.6227 -16.2137 -21.3787 HAL2 10077 0 0 0 9.000000e-0210082 10080 C10 SLES 1 -20.0949 -14.6105 -21.4773 CTL2 10077 10081 10082 10083 - 1.800000e-0110083 10081 H10 SLES 1 -19.9246 -13.668 -22.0646 HAL2 10080 0 0 0 9.000000e-0210084 10082 H10 SLES 1 -19.2536 -15.3087 -21.7385 HAL2 10080 0 0 0 9.000000e-0210085 10083 C11 SLES 1 -19.962 -14.2684 -20.0289 CTL2 10080 10084 10085 10086 - 1.800000e-0110086 10084 H11 SLES 1 -20.7848 -13.559 -19.7786 HAL2 10083 0 0 0 9.000000e-0210087 10085 H11 SLES 1 -20.1102 -15.2096 -19.4504 HAL2 10083 0 0 0 9.000000e-0210088 10086 C12 SLES 1 -18.582 -13.6538 -19.7785 CTL3 10083 10087 10088 10089 - 2.700000e-0110089 10087 H12 SLES 1 -18.6906 -12.6196 -19.398 HAL3 10086 0 0 0 9.000000e-0210090 10088 H12 SLES 1 -18.0104 -14.2816 -19.0675 HAL3 10086 0 0 0 9.000000e-0210091 10089 H12 SLES 1 -17.9689 -13.5887 -20.7109 HAL3 10086 0 0 0 9.000000e-0210092 10090 NA SLES 1 -19.2419 -33.8521 -36.3773 NA 0 0 0 0 1 .000000e+0010093 10091 S SLES 1 -18.1394 -31.1772 -37.2741 SL 10092 10093 10094 10095 1.33 0000e+0010094 10092 OS1 SLES 1 -17.9917 -31.1748 -35.8087 OSL 10091 10096 0 0 - 2.800000e-0110095 10093 OS2 SLES 1 -19.562 -31.4084 -37.1587 O2L 10091 0 0 0 - 6.500000e-0110096 10094 OS3 SLES 1 -17.3319 -32.3703 -37.3832 O2L 10091 0 0 0 - 6.500000e-0110097 10095 OS4 SLES 1 -17.6433 -29.9144 -37.7441 O2L 10091 0 0 0 - 6.500000e-0110098 10096 C2 SLES 1 -17.4478 -30.1956 -35.0172 CC32A 10092 10097 10098 10099 - 1.100000e-0110099 10097 H2A SLES 1 -18.0173 -29.2349 -35.1256 HCA2 10096 0 0 0 9.000000e-0210100 10098 H2B SLES 1 -16.3681 -30.0271 -35.2729 HCA2 10096 0 0 0 9.000000e-0210101 10099 C1 SLES 1 -17.6119 -30.7946 -33.6038 CC32A 10096 10100 10101 10102 - 1.000000e-0210102 10100 H1B SLES 1 -18.6916 -30.9883 -33.3734 HCA2 10099 0 0 0 9.000000e-0210103 10101 H1A SLES 1 -17.0482 -31.7553 -33.5109 HCA2 10099 0 0 0 9.000000e-0210104 10102 O1 SLES 1 -17.1671 -30.0595 -32.5102 OC30A 10099 10103 0 0 - 3.400000e-0110105 10103 C2 SLES 1 -16.6028 -28.7836 -32.7521 CC32A 10102 10104 10105 10106 - 1.000000e-0210106 10104 H2A SLES 1 -17.3504 -28.1136 -33.2657 HCA2 10103 0 0 0 9.000000e-0210107 10105 H2B SLES 1 -15.6955 -28.8579 -33.3962 HCA2 10103 0 0 0 9.000000e-0210108 10106 C1 SLES 1 -16.5525 -28.6032 -31.1914 CC32A 10103 10107 10108 10109 - 1.000000e-0210109 10107 H1B SLES 1 -17.2175 -27.7325 -31.2642 HCA2 10106 0 0 0 9.000000e-0210110 10108 H1A SLES 1 -15.425 -28.605 -31.4178 HCA2 10106 0 0 0 9.000000e-0210111 10109 O1 SLES 1 -16.0594 -28.2915 -29.9141 OC30A 10106 10110 0 0 - 3.400000e-0110112 10110 C1 SLES 1 -15.5653 -26.979 -29.6882 CTL2 10109 10111 10112 10113 - 1.800000e-0110113 10111 H11 SLES 1 -16.2177 -26.136 -30.0502 HAL2 10110 0 0 0 9.000000e-0210114 10112 H12 SLES 1 -14.5647 -26.8503 -30.1726 HAL2 10110 0 0 0 9.000000e-0210115 10113 C2 SLES 1 -15.4743 -27.0114 -28.1632 CTL2 10110 10114 10115 10116 - 1.800000e-0110116 10114 H21 SLES 1 -16.4683 -27.0799 -27.6592 HAL2 10113 0 0 0 9.000000e-0210117 10115 H22 SLES 1 -14.8165 -27.8295 -27.7807 HAL2 10113 0 0 0 9.000000e-0210118 10116 C3 SLES 1 -14.8558 -25.7113 -27.8418 CTL2 10113 10117 10118 10119 - 1.800000e-0110119 10117 H31 SLES 1 -15.5657 -24.9443 -28.2556 HAL2 10116 0 0 0 9.000000e-0210120 10118 H32 SLES 1 -13.8709 -25.7167 -28.3856 HAL2 10116 0 0 0 9.000000e-0210121 10119 C4 SLES 1 -14.5648 -25.3185 -26.4297 CTL2 10116 10120 10121 10122 - 1.800000e-0110122 10120 H41 SLES 1 -15.4985 -25.2849 -25.8158 HAL2 10119 0 0 0 9.000000e-0210123 10121 H42 SLES 1 -13.8594 -26.0338 -25.9454 HAL2 10119 0 0 0 9.000000e-0210124 10122 C5 SLES 1 -13.9565 -23.9381 -26.7121 CTL2 10119 10123 10124 10125 - 1.800000e-0110125 10123 H51 SLES 1 -14.6884 -23.2912 -27.2651 HAL2 10122 0 0 0 9.000000e-0210126 10124 H52 SLES 1 -13.069 -24.0314 -27.3917 HAL2 10122 0 0 0 9.000000e-0210127 10125 C6 SLES 1 -13.5085 -23.156 -25.5541 CTL2 10122 10126 10127 10128 - 1.800000e-0110128 10126 H61 SLES 1 -14.0507 -22.1733 -25.6101 HAL2 10125 0 0 0 9.000000e-0210129 10127 H62 SLES 1 -12.4267 -22.9156 -25.7368 HAL2 10125 0 0 0 9.000000e-0210130 10128 C7 SLES 1 -13.6921 -23.7955 -24.1725 CTL2 10125 10129 10130 10131 - 1.800000e-0110131 10129 H71 SLES 1 -14.7567 -23.9854 -23.8986 HAL2 10128 0 0 0 9.000000e-0210132 10130 H72 SLES 1 -13.1124 -24.7366 -24.0271 HAL2 10128 0 0 0 9.000000e-0210133 10131 C8 SLES 1 -13.1297 -22.7056 -23.3338 CTL2 10128 10132 10133 10134 - 1.800000e-0110134 10132 H81 SLES 1 -13.7474 -21.789 -23.5492 HAL2 10131 0 0 0 9.000000e-0210135 10133 H82 SLES 1 -12.068 -22.5564 -23.6814 HAL2 10131 0 0 0 9.000000e-0210136 10134 C9 SLES 1 -13.0768 -22.8444 -21.8523 CTL2 10131 10135 10136 10137 - 1.800000e-0110137 10135 H91 SLES 1 -14.1031 -22.9717 -21.4411 HAL2 10134 0 0 0 9.000000e-0210138 10136 H92 SLES 1 -12.4554 -23.724 -21.5706 HAL2 10134 0 0 0 9.000000e-0210139 10137 C10 SLES 1 -12.4375 -21.5093 -21.4763 CTL2 10134 10138 10139 10140 - 1.800000e-0110140 10138 H10 SLES 1 -13.0728 -20.6623 -21.8519 HAL2 10137 0 0 0 9.000000e-0210141 10139 H10 SLES 1 -11.4376 -21.4093 -21.9801 HAL2 10137 0 0 0 9.000000e-0210142 10140 C11 SLES 1 -12.2261 -21.2985 -20.0122 CTL2 10137 10141 10142 10143 - 1.800000e-0110143 10141 H11 SLES 1 -13.2227 -21.3766 -19.5185 HAL2 10140 0 0 0 9.000000e-0210144 10142 H11 SLES 1 -11.5779 -22.1286 -19.6473 HAL2 10140 0 0 0 9.000000e-0210145 10143 C12 SLES 1 -11.5826 -19.9275 -19.7859 CTL3 10140 10144 10145 10146 - 2.700000e-0110146 10144 H12 SLES 1 -12.2502 -19.2914 -19.1729 HAL3 10143 0 0 0 9.000000e-0210147 10145 H12 SLES 1 -10.5934 -20.0479 -19.3027 HAL3 10143 0 0 0 9.000000e-0210148 10146 H12 SLES 1 -11.4055 -19.3767 -20.7422 HAL3 10143 0 0 0 9.000000e-0210149 10147 NA SLES 1 -2.97926 -38.6126 -36.5501 NA 0 0 0 0 1 .000000e+0010150 10148 S SLES 1 -4.2014 -35.9194 -37.2036 SL 10149 10150 10151 10152 1.33 0000e+0010151 10149 OS1 SLES 1 -3.73164 -35.7939 -35.8134 OSL 10148 10153 0 0 - 2.800000e-0110152 10150 OS2 SLES 1 -5.02208 -37.0572 -36.8536 O2L 10148 0 0 0 - 6.500000e-0110153 10151 OS3 SLES 1 -2.86795 -36.2421 -37.6564 O2L 10148 0 0 0 - 6.500000e-0110154 10152 OS4 SLES 1 -4.80727 -34.6652 -37.5526 O2L 10148 0 0 0 - 6.500000e-0110155 10153 C2 SLES 1 -3.79953 -34.6947 -34.9959 CC32A 10149 10154 10155 10156 - 1.100000e-0110156 10154 H2A SLES 1 -4.86553 -34.3828 -34.8369 HCA2 10153 0 0 0 9.000000e-0210157 10155 H2B SLES 1 -3.2142 -33.8389 -35.4254 HCA2 10153 0 0 0 9.000000e-0210158 10156 C1 SLES 1 -3.16355 -35.2224 -33.6918 CC32A 10153 10157 10158 10159 - 1.000000e-0210159 10157 H1B SLES 1 -3.73855 -36.097 -33.2909 HCA2 10156 0 0 0 9.000000e-0210160 10158 H1A SLES 1 -2.10552 -35.5385 -33.8647 HCA2 10156 0 0 0 9.000000e-0210161 10159 O1 SLES 1 -3.06368 -34.3645 -32.6018 OC30A 10156 10160 0 0 - 3.400000e-0110162 10160 C2 SLES 1 -3.57296 -33.0507 -32.7411 CC32A 10159 10161 10162 10163 - 1.000000e-0210163 10161 H2A SLES 1 -4.67319 -33.0791 -32.9863 HCA2 10160 0 0 0 9.000000e-0210164 10162 H2B SLES 1 -3.04544 -32.496 -33.5521 HCA2 10160 0 0 0 9.000000e-0210165 10163 C1 SLES 1 -3.26599 -32.8601 -31.2113 CC32A 10160 10164 10165 10166 - 1.000000e-0210166 10164 H1B SLES 1 -4.33072 -32.6786 -31.0137 HCA2 10163 0 0 0 9.000000e-0210167 10165 H1A SLES 1 -2.52673 -32.0957 -31.6489 HCA2 10163 0 0 0 9.000000e-0210168 10166 O1 SLES 1 -2.8051 -32.2759 -30.0204 OC30A 10163 10167 0 0 - 3.400000e-0110169 10167 C1 SLES 1 -3.27096 -30.9759 -29.6874 CTL2 10166 10168 10169 10170 - 1.800000e-0110170 10168 H11 SLES 1 -4.3809 -30.8106 -29.7768 HAL2 10167 0 0 0 9.000000e-0210171 10169 H12 SLES 1 -2.77234 -30.2067 -30.3295 HAL2 10167 0 0 0 9.000000e-0210172 10170 C2 SLES 1 -2.80306 -30.9136 -28.2341 CTL2 10167 10171 10172 10173 - 1.800000e-0110173 10171 H21 SLES 1 -3.33214 -31.634 -27.5649 HAL2 10170 0 0 0 9.000000e-0210174 10172 H22 SLES 1 -1.70066 -31.0568 -28.1221 HAL2 10170 0 0 0 9.000000e-0210175 10173 C3 SLES 1 -3.1491 -29.5363 -27.8348 CTL2 10170 10174 10175 10176 - 1.800000e-0110176 10174 H31 SLES 1 -4.26212 -29.4666 -27.9752 HAL2 10173 0 0 0 9.000000e-0210177 10175 H32 SLES 1 -2.5874 -28.8768 -28.5527 HAL2 10173 0 0 0 9.000000e-0210178 10176 C4 SLES 1 -2.85069 -29.0286 -26.4614 CTL2 10173 10177 10178 10179 - 1.800000e-0110179 10177 H41 SLES 1 -3.37738 -29.6315 -25.6811 HAL2 10176 0 0 0 9.000000e-0210180 10178 H42 SLES 1 -1.75739 -29.0625 -26.2436 HAL2 10176 0 0 0 9.000000e-0210181 10179 C5 SLES 1 -3.40841 -27.609 -26.6316 CTL2 10176 10180 10181 10182 - 1.800000e-0110182 10180 H51 SLES 1 -4.4922 -27.6442 -26.9218 HAL2 10179 0 0 0 9.000000e-0210183 10181 H52 SLES 1 -2.89113 -27.0823 -27.4762 HAL2 10179 0 0 0 9.000000e-0210184 10182 C6 SLES 1 -3.3212 -26.7136 -25.4724 CTL2 10179 10183 10184 10185 - 1.800000e-0110185 10183 H61 SLES 1 -4.3695 -26.3662 -25.2644 HAL2 10182 0 0 0 9.000000e-0210186 10184 H62 SLES 1 -2.76388 -25.8027 -25.8202 HAL2 10182 0 0 0 9.000000e-0210187 10185 C7 SLES 1 -2.68011 -27.2846 -24.2018 CTL2 10182 10186 10187 10188 - 1.800000e-0110188 10186 H71 SLES 1 -3.2361 -28.1455 -23.761 HAL2 10185 0 0 0 9.000000e-0210189 10187 H72 SLES 1 -1.61068 -27.5748 -24.3238 HAL2 10185 0 0 0 9.000000e-0210190 10188 C8 SLES 1 -2.79659 -26.0912 -23.3245 CTL2 10185 10189 10190 10191 - 1.800000e-0110191 10189 H81 SLES 1 -3.89419 -25.8461 -23.2668 HAL2 10188 0 0 0 9.000000e-0210192 10190 H82 SLES 1 -2.23419 -25.2631 -23.8426 HAL2 10188 0 0 0 9.000000e-0210193 10191 C9 SLES 1 -2.29594 -26.1333 -21.9229 CTL2 10188 10192 10193 10194 - 1.800000e-0110194 10192 H91 SLES 1 -2.83198 -26.9202 -21.3466 HAL2 10191 0 0 0 9.000000e-0210195 10193 H92 SLES 1 -1.20368 -26.3479 -21.9112 HAL2 10191 0 0 0 9.000000e-0210196 10194 C10 SLES 1 -2.63675 -24.7154 -21.4691 CTL2 10191 10195 10196 10197 - 1.800000e-0110197 10195 H10 SLES 1 -3.74079 -24.5357 -21.5742 HAL2 10194 0 0 0 9.000000e-0210198 10196 H10 SLES 1 -2.12446 -23.9681 -22.1343 HAL2 10194 0 0 0 9.000000e-0210199 10197 C11 SLES 1 -2.26072 -24.3943 -20.0591 CTL2 10194 10198 10199 10200 - 1.800000e-0110200 10198 H11 SLES 1 -2.78771 -25.1236 -19.4008 HAL2 10197 0 0 0 9.000000e-0210201 10199 H11 SLES 1 -1.16151 -24.553 -19.9642 HAL2 10197 0 0 0 9.000000e-0210202 10200 C12 SLES 1 -2.65988 -22.9496 -19.7453 CTL3 10197 10201 10202 10203 - 2.700000e-0110203 10201 H12 SLES 1 -3.39894 -22.9306 -18.921 HAL3 10200 0 0 0 9.000000e-0210204 10202 H12 SLES 1 -1.76155 -22.3551 -19.4883 HAL3 10200 0 0 0 9.000000e-0210205 10203 H12 SLES 1 -3.14018 -22.4411 -20.6172 HAL3 10200 0 0 0 9.000000e-0210206 10204 NA SLES 1 13.434 -35.8483 -36.9088 NA 0 0 0 0 1 .000000e+0010207 10205 S SLES 1 10.609 -34.7667 -37.0642 SL 10206 10207 10208 10209 1.33 0000e+0010208 10206 OS1 SLES 1 11.1635 -34.1986 -35.8236 OSL 10205 10210 0 0 - 2.800000e-0110209 10207 OS2 SLES 1 10.88 -36.1102 -36.6036 O2L 10205 0 0 0 - 6.500000e-0110210 10208 OS3 SLES 1 11.6629 -34.1633 -37.8468 O2L 10205 0 0 0 - 6.500000e-0110211 10209 OS4 SLES 1 9.25775 -34.2928 -37.1709 O2L 10205 0 0 0 - 6.500000e-0110212 10210 C2 SLES 1 10.5545 -33.3426 -34.9419 CC32A 10206 10211 10212 10213 - 1.100000e-0110213 10211 H2A SLES 1 9.63033 -33.809 -34.5091 HCA2 10210 0 0 0 9.000000e-0210214 10212 H2B SLES 1 10.2913 -32.3728 -35.4415 HCA2 10210 0 0 0 9.000000e-0210215 10213 C1 SLES 1 11.6483 -33.1524 -33.869 CC32A 10210 10214 10215 10216 - 1.000000e-0210216 10214 H1B SLES 1 11.9251 -34.1324 -33.4007 HCA2 10213 0 0 0 9.000000e-0210217 10215 H1A SLES 1 12.5666 -32.696 -34.3135 HCA2 10213 0 0 0 9.000000e-0210218 10216 O1 SLES 1 11.3809 -32.3294 -32.7802 OC30A 10213 10217 0 0 - 3.400000e-0110219 10217 C2 SLES 1 10.1038 -31.7228 -32.7033 CC32A 10216 10218 10219 10220 - 1.000000e-0210220 10218 H2A SLES 1 9.29578 -32.5088 -32.6764 HCA2 10217 0 0 0 9.000000e-0210221 10219 H2B SLES 1 9.91872 -31.0569 -33.5785 HCA2 10217 0 0 0 9.000000e-0210222 10220 C1 SLES 1 10.531 -31.1996 -31.2839 CC32A 10217 10221 10222 10223 - 1.000000e-0210223 10221 H1B SLES 1 9.70451 -31.7564 -30.8229 HCA2 10220 0 0 0 9.000000e-0210224 10222 H1A SLES 1 10.4359 -30.1947 -31.8348 HCA2 10220 0 0 0 9.000000e-0210225 10223 O1 SLES 1 10.7247 -30.324 -30.2033 OC30A 10220 10224 0 0 - 3.400000e-0110226 10224 C1 SLES 1 9.59258 -29.6435 -29.6806 CTL2 10223 10225 10226 10227 - 1.800000e-0110227 10225 H11 SLES 1 8.68143 -30.2758 -29.4875 HAL2 10224 0 0 0 9.000000e-0210228 10226 H12 SLES 1 9.27971 -28.82 -30.3709 HAL2 10224 0 0 0 9.000000e-0210229 10227 C2 SLES 1 10.2026 -29.1157 -28.3829 CTL2 10224 10228 10229 10230 - 1.800000e-0110230 10228 H21 SLES 1 10.4671 -29.9206 -27.6557 HAL2 10227 0 0 0 9.000000e-0210231 10229 H22 SLES 1 11.0985 -28.4695 -28.5507 HAL2 10227 0 0 0 9.000000e-0210232 10230 C3 SLES 1 9.11709 -28.2905 -27.8198 CTL2 10227 10231 10232 10233 - 1.800000e-0110233 10231 H31 SLES 1 8.25705 -29.0009 -27.6818 HAL2 10230 0 0 0 9.000000e-0210234 10232 H32 SLES 1 8.90582 -27.514 -28.6061 HAL2 10230 0 0 0 9.000000e-0210235 10233 C4 SLES 1 9.28902 -27.5586 -26.5284 CTL2 10230 10234 10235 10236 - 1.800000e-0110236 10234 H41 SLES 1 9.5005 -28.2628 -25.6863 HAL2 10233 0 0 0 9.000000e-0210237 10235 H42 SLES 1 10.1282 -26.8262 -26.5843 HAL2 10233 0 0 0 9.000000e-0210238 10236 C5 SLES 1 7.89955 -26.9104 -26.4626 CTL2 10233 10237 10238 10239 - 1.800000e-0110239 10237 H51 SLES 1 7.09763 -27.6956 -26.4836 HAL2 10236 0 0 0 9.000000e-0210240 10238 H52 SLES 1 7.71864 -26.2758 -27.3697 HAL2 10236 0 0 0 9.000000e-0210241 10239 C6 SLES 1 7.61331 -26.0604 -25.3012 CTL2 10236 10240 10241 10242 - 1.800000e-0110242 10240 H61 SLES 1 6.6885 -26.4832 -24.8229 HAL2 10239 0 0 0 9.000000e-0210243 10241 H62 SLES 1 7.31133 -25.0594 -25.7113 HAL2 10239 0 0 0 9.000000e-0210244 10242 C7 SLES 1 8.73252 -25.9024 -24.2649 CTL2 10239 10243 10244 10245 - 1.800000e-0110245 10243 H71 SLES 1 9.02232 -26.855 -23.7617 HAL2 10242 0 0 0 9.000000e-0210246 10244 H72 SLES 1 9.65258 -25.4134 -24.6612 HAL2 10242 0 0 0 9.000000e-0210247 10245 C8 SLES 1 8.03899 -25.0029 -23.307 CTL2 10242 10246 10247 10248 - 1.800000e-0110248 10246 H81 SLES 1 7.11526 -25.5512 -22.9692 HAL2 10245 0 0 0 9.000000e-0210249 10247 H82 SLES 1 7.75868 -24.079 -23.8887 HAL2 10245 0 0 0 9.000000e-0210250 10248 C9 SLES 1 8.73103 -24.5357 -22.0743 CTL2 10245 10249 10250 10251 - 1.800000e-0110251 10249 H91 SLES 1 9.01495 -25.4049 -21.4398 HAL2 10248 0 0 0 9.000000e-0210252 10250 H92 SLES 1 9.64579 -23.9604 -22.3416 HAL2 10248 0 0 0 9.000000e-0210253 10251 C10 SLES 1 7.63389 -23.6709 -21.457 CTL2 10248 10252 10253 10254 - 1.800000e-0110254 10252 H10 SLES 1 6.71363 -24.2905 -21.2796 HAL2 10251 0 0 0 9.000000e-0210255 10253 H10 SLES 1 7.34025 -22.857 -22.1745 HAL2 10251 0 0 0 9.000000e-0210256 10254 C11 SLES 1 7.99464 -23.0197 -20.1616 CTL2 10251 10255 10256 10257 - 1.800000e-0110257 10255 H11 SLES 1 8.26426 -23.831 -19.446 HAL2 10254 0 0 0 9.000000e-0210258 10256 H11 SLES 1 8.89507 -22.3891 -20.3462 HAL2 10254 0 0 0 9.000000e-0210259 10257 C12 SLES 1 6.80727 -22.1906 -19.6639 CTL3 10254 10258 10259 10260 - 2.700000e-0110260 10258 H12 SLES 1 6.45889 -22.5757 -18.6859 HAL3 10257 0 0 0 9.000000e-0210261 10259 H12 SLES 1 7.09336 -21.1231 -19.5923 HAL3 10257 0 0 0 9.000000e-0210262 10260 H12 SLES 1 5.93207 -22.2405 -20.3573 HAL3 10257 0 0 0 9.000000e-0210263 10261 NA SLES 1 26.6791 -26.5956 -37.3913 NA 0 0 0 0 1 .000000e+0010264 10262 S SLES 1 23.9066 -27.7027 -36.8799 SL 10263 10264 10265 10266 1.33 0000e+0010265 10263 OS1 SLES 1 24.1037 -26.6807 -35.8377 OSL 10262 10267 0 0 - 2.800000e-0110266 10264 OS2 SLES 1 25.0935 -28.4088 -36.4519 O2L 10262 0 0 0 - 6.500000e-0110267 10265 OS3 SLES 1 24.1182 -26.724 -37.9214 O2L 10262 0 0 0 - 6.500000e-0110268 10266 OS4 SLES 1 22.6051 -28.2701 -36.6649 O2L 10262 0 0 0 - 6.500000e-0110269 10267 C2 SLES 1 23.2211 -26.2872 -34.8644 CC32A 10263 10268 10269 10270 - 1.100000e-0110270 10268 H2A SLES 1 22.9528 -27.1497 -34.1988 HCA2 10267 0 0 0 9.000000e-0210271 10269 H2B SLES 1 22.2902 -25.8549 -35.3184 HCA2 10267 0 0 0 9.000000e-0210272 10270 C1 SLES 1 24.0344 -25.2173 -34.1046 CC32A 10267 10271 10272 10273 - 1.000000e-0210273 10271 H1B SLES 1 24.977 -25.6542 -33.6841 HCA2 10270 0 0 0 9.000000e-0210274 10272 H1A SLES 1 24.3035 -24.3682 -34.7798 HCA2 10270 0 0 0 9.000000e-0210275 10273 O1 SLES 1 23.4493 -24.5819 -33.0146 OC30A 10270 10274 0 0 - 3.400000e-0110276 10274 C2 SLES 1 22.1381 -24.9679 -32.6452 CC32A 10273 10275 10276 10277 - 1.000000e-0210277 10275 H2A SLES 1 22.1084 -26.0658 -32.3896 HCA2 10274 0 0 0 9.000000e-0210278 10276 H2B SLES 1 21.4128 -24.7787 -33.4709 HCA2 10274 0 0 0 9.000000e-0210279 10277 C1 SLES 1 22.3036 -24.0274 -31.3967 CC32A 10274 10278 10279 10280 - 1.000000e-0210280 10278 H1B SLES 1 22.1711 -24.8856 -30.7247 HCA2 10277 0 0 0 9.000000e-0210281 10279 H1A SLES 1 21.4599 -23.469 -31.9433 HCA2 10277 0 0 0 9.000000e-0210282 10280 O1 SLES 1 22.0084 -23.0515 -30.431 OC30A 10277 10281 0 0 - 3.400000e-0110283 10281 C1 SLES 1 20.8189 -23.2008 -29.669 CTL2 10280 10282 10283 10284 - 1.800000e-0110284 10282 H11 SLES 1 20.6364 -24.2223 -29.2325 HAL2 10281 0 0 0 9.000000e-0210285 10283 H12 SLES 1 19.9235 -22.9449 -30.2897 HAL2 10281 0 0 0 9.000000e-0210286 10284 C2 SLES 1 21.092 -22.1603 -28.5837 CTL2 10281 10285 10286 10287 - 1.800000e-0110287 10285 H21 SLES 1 21.9461 -22.4273 -27.9159 HAL2 10284 0 0 0 9.000000e-0210288 10286 H22 SLES 1 21.2582 -21.1339 -28.9925 HAL2 10284 0 0 0 9.000000e-0210289 10287 C3 SLES 1 19.8426 -22.1659 -27.7995 CTL2 10284 10288 10289 10290 - 1.800000e-0110290 10288 H31 SLES 1 19.7414 -23.2212 -27.4261 HAL2 10287 0 0 0 9.000000e-0210291 10289 H32 SLES 1 19.0366 -21.8961 -28.5367 HAL2 10287 0 0 0 9.000000e-0210292 10290 C4 SLES 1 19.6636 -21.2672 -26.6191 CTL2 10287 10291 10292 10293 - 1.800000e-0110293 10291 H41 SLES 1 20.4288 -21.4734 -25.8306 HAL2 10290 0 0 0 9.000000e-0210294 10292 H42 SLES 1 19.7476 -20.1934 -26.9086 HAL2 10290 0 0 0 9.000000e-0210295 10293 C5 SLES 1 18.2422 -21.6994 -26.2341 CTL2 10290 10294 10295 10296 - 1.800000e-0110296 10294 H51 SLES 1 18.2089 -22.802 -26.0264 HAL2 10293 0 0 0 9.000000e-0210297 10295 H52 SLES 1 17.5364 -21.5363 -27.0906 HAL2 10293 0 0 0 9.000000e-0210298 10296 C6 SLES 1 17.6365 -21.0424 -25.0701 CTL2 10293 10297 10298 10299 - 1.800000e-0110299 10297 H61 SLES 1 17.345 -21.8648 -24.3618 HAL2 10296 0 0 0 9.000000e-0210300 10298 H62 SLES 1 16.6707 -20.5954 -25.4289 HAL2 10296 0 0 0 9.000000e-0210301 10299 C7 SLES 1 18.4843 -19.9863 -24.3508 CTL2 10296 10300 10301 10302 - 1.800000e-0110302 10300 H71 SLES 1 19.4228 -20.3879 -23.9007 HAL2 10299 0 0 0 9.000000e-0210303 10301 H72 SLES 1 18.7398 -19.103 -24.9809 HAL2 10299 0 0 0 9.000000e-0210304 10302 C8 SLES 1 17.5237 -19.602 -23.2845 CTL2 10299 10303 10304 10305 - 1.800000e-0110305 10303 H81 SLES 1 17.2972 -20.5423 -22.7078 HAL2 10302 0 0 0 9.000000e-0210306 10304 H82 SLES 1 16.5995 -19.2304 -23.8119 HAL2 10302 0 0 0 9.000000e-0210307 10305 C9 SLES 1 17.8866 -18.5642 -22.2803 CTL2 10302 10306 10307 10308 - 1.800000e-0110308 10306 H91 SLES 1 18.7841 -18.8833 -21.7047 HAL2 10305 0 0 0 9.000000e-0210309 10307 H92 SLES 1 18.0992 -17.5964 -22.7875 HAL2 10305 0 0 0 9.000000e-0210310 10308 C10 SLES 1 16.6101 -18.538 -21.4421 CTL2 10305 10309 10310 10311 - 1.800000e-0110311 10309 H10 SLES 1 16.41 -19.5594 -21.019 HAL2 10308 0 0 0 9.000000e-0210312 10310 H10 SLES 1 15.7307 -18.2818 -22.0936 HAL2 10308 0 0 0 9.000000e-0210313 10311 C11 SLES 1 16.6212 -17.5727 -20.3017 CTL2 10308 10312 10313 10314 - 1.800000e-0110314 10312 H11 SLES 1 17.4815 -17.8433 -19.6462 HAL2 10311 0 0 0 9.000000e-0210315 10313 H11 SLES 1 16.7986 -16.5579 -20.7274 HAL2 10311 0 0 0 9.000000e-0210316 10314 C12 SLES 1 15.2865 -17.6554 -19.5556 CTL3 10311 10315 10316 10317 - 2.700000e-0110317 10315 H12 SLES 1 15.4563 -17.9722 -18.5082 HAL3 10314 0 0 0 9.000000e-0210318 10316 H12 SLES 1 14.7677 -16.6778 -19.5967 HAL3 10314 0 0 0 9.000000e-0210319 10317 H12 SLES 1 14.5912 -18.4048 -20.0076 HAL3 10314 0 0 0 9.000000e-0210320 10318 NA SLES 1 34.5595 -13.1853 -37.9143 NA 0 0 0 0 1 .000000e+0010321 10319 S SLES 1 33.349 -15.6736 -36.6826 SL 10320 10321 10322 10323 1.33 0000e+0010322 10320 OS1 SLES 1 32.8535 -14.5619 -35.8532 OSL 10319 10324 0 0 - 2.800000e-0110323 10321 OS2 SLES 1 34.7197 -15.2925 -36.4247 O2L 10319 0 0 0 - 6.500000e-0110324 10322 OS3 SLES 1 32.7634 -15.0899 -37.8674 O2L 10319 0 0 0 - 6.500000e-0110325 10323 OS4 SLES 1 32.8121 -16.8818 -36.1223 O2L 10319 0 0 0 - 6.500000e-0110326 10324 C2 SLES 1 32.0056 -14.6251 -34.777 CC32A 10320 10325 10326 10327 - 1.100000e-0110327 10325 H2A SLES 1 32.4468 -15.2546 -33.9597 HCA2 10324 0 0 0 9.000000e-0210328 10326 H2B SLES 1 31.0068 -15.0395 -35.0773 HCA2 10324 0 0 0 9.000000e-0210329 10327 C1 SLES 1 31.9048 -13.1426 -34.3579 CC32A 10324 10328 10329 10330 - 1.000000e-0210330 10328 H1B SLES 1 32.9132 -12.7319 -34.0918 HCA2 10327 0 0 0 9.000000e-0210331 10329 H1A SLES 1 31.4729 -12.5244 -35.1828 HCA2 10327 0 0 0 9.000000e-0210332 10330 O1 SLES 1 31.1128 -12.8092 -33.2644 OC30A 10327 10331 0 0 - 3.400000e-0110333 10331 C2 SLES 1 30.4537 -13.857 -32.577 CC32A 10330 10332 10333 10334 - 1.000000e-0210334 10332 H2A SLES 1 31.2037 -14.5971 -32.1755 HCA2 10331 0 0 0 9.000000e-0210335 10333 H2B SLES 1 29.7475 -14.3998 -33.248 HCA2 10331 0 0 0 9.000000e-0210336 10334 C1 SLES 1 30.0043 -12.7739 -31.5302 CC32A 10331 10335 10336 10337 - 1.000000e-0210337 10335 H1B SLES 1 30.5411 -13.3095 -30.736 HCA2 10334 0 0 0 9.000000e-0210338 10336 H1A SLES 1 28.9759 -13.0635 -31.9557 HCA2 10334 0 0 0 9.000000e-0210339 10337 O1 SLES 1 29.1798 -12.0374 -30.6643 OC30A 10334 10338 0 0 - 3.400000e-0110340 10338 C1 SLES 1 28.4703 -12.7408 -29.6544 CTL2 10337 10339 10340 10341 - 1.800000e-0110341 10339 H11 SLES 1 29.0686 -13.483 -29.0557 HAL2 10338 0 0 0 9.000000e-0210342 10340 H12 SLES 1 27.6081 -13.2981 -30.0999 HAL2 10338 0 0 0 9.000000e-0210343 10341 C2 SLES 1 28.0197 -11.5554 -28.802 CTL2 10338 10342 10343 10344 - 1.800000e-0110344 10342 H21 SLES 1 28.8625 -11.0217 -28.3006 HAL2 10341 0 0 0 9.000000e-0210345 10343 H22 SLES 1 27.4079 -10.8137 -29.3711 HAL2 10341 0 0 0 9.000000e-0210346 10344 C3 SLES 1 27.1693 -12.1903 -27.7773 CTL2 10341 10345 10346 10347 - 1.800000e-0110347 10345 H31 SLES 1 27.8457 -12.9185 -27.2523 HAL2 10344 0 0 0 9.000000e-0210348 10346 H32 SLES 1 26.355 -12.7073 -28.3564 HAL2 10344 0 0 0 9.000000e-0210349 10347 C4 SLES 1 26.4954 -11.3803 -26.7177 CTL2 10344 10348 10349 10350 - 1.800000e-0110350 10348 H41 SLES 1 27.2398 -10.8324 -26.0889 HAL2 10347 0 0 0 9.000000e-0210351 10349 H42 SLES 1 25.7992 -10.6298 -27.1604 HAL2 10347 0 0 0 9.000000e-0210352 10350 C5 SLES 1 25.7894 -12.5295 -25.9856 CTL2 10347 10351 10352 10353 - 1.800000e-0110353 10351 H51 SLES 1 26.5369 -13.2871 -25.6291 HAL2 10350 0 0 0 9.000000e-0210354 10352 H52 SLES 1 25.1133 -13.0857 -26.6871 HAL2 10350 0 0 0 9.000000e-0210355 10353 C6 SLES 1 24.9723 -12.1764 -24.819 CTL2 10350 10354 10355 10356 - 1.800000e-0110356 10354 H61 SLES 1 25.3717 -12.7822 -23.9609 HAL2 10353 0 0 0 9.000000e-0210357 10355 H62 SLES 1 23.944 -12.5801 -25.0218 HAL2 10353 0 0 0 9.000000e-0210358 10356 C7 SLES 1 24.9034 -10.6909 -24.4447 CTL2 10353 10357 10358 10359 - 1.800000e-0110359 10357 H71 SLES 1 25.8864 -10.2506 -24.1538 HAL2 10356 0 0 0 9.000000e-0210360 10358 H72 SLES 1 24.4409 -10.0463 -25.2277 HAL2 10356 0 0 0 9.000000e-0210361 10359 C8 SLES 1 24.0112 -10.7893 -23.2607 CTL2 10356 10360 10361 10362 - 1.800000e-0110362 10360 H81 SLES 1 24.5307 -11.4685 -22.5279 HAL2 10359 0 0 0 9.000000e-0210363 10361 H82 SLES 1 23.0545 -11.2605 -23.6254 HAL2 10359 0 0 0 9.000000e-0210364 10362 C9 SLES 1 23.6223 -9.56657 -22.5054 CTL2 10359 10363 10364 10365 - 1.800000e-0110365 10363 H91 SLES 1 24.5267 -9.06385 -22.0954 HAL2 10362 0 0 0 9.000000e-0210366 10364 H92 SLES 1 23.0783 -8.85997 -23.1716 HAL2 10362 0 0 0 9.000000e-0210367 10365 C10 SLES 1 22.734 -10.1835 -21.427 CTL2 10362 10366 10367 10368 - 1.800000e-0110368 10366 H10 SLES 1 23.3186 -10.9405 -20.8375 HAL2 10365 0 0 0 9.000000e-0210369 10367 H10 SLES 1 21.8811 -10.7376 -21.9057 HAL2 10365 0 0 0 9.000000e-0210370 10368 C11 SLES 1 22.149 -9.21062 -20.4555 CTL2 10365 10369 10370 10371 - 1.800000e-0110371 10369 H11 SLES 1 22.9982 -8.67837 -19.9669 HAL2 10368 0 0 0 9.000000e-0210372 10370 H11 SLES 1 21.5523 -8.47389 -21.0417 HAL2 10368 0 0 0 9.000000e-0210373 10371 C12 SLES 1 21.2878 -9.96584 -19.4392 CTL3 10368 10372 10373 10374 - 2.700000e-0110374 10372 H12 SLES 1 21.694 -9.82537 -18.4187 HAL3 10371 0 0 0 9.000000e-0210375 10373 H12 SLES 1 20.2375 -9.62004 -19.5006 HAL3 10371 0 0 0 9.000000e-0210376 10374 H12 SLES 1 21.2726 -11.0674 -19.6285 HAL3 10371 0 0 0 9.000000e-0210377 10375 NA SLES 1 22.2983 1.64418 -46.1043 NA 0 0 0 0 1 .000000e+0010378 10376 S SLES 1 23.5118 -0.607557 -44.4822 SL 10377 10378 10379 10380 1.33 0000e+0010379 10377 OS1 SLES 1 22.5636 0.0495181 -43.5665 OSL 10376 10381 0 0 - 2.800000e-0110380 10378 OS2 SLES 1 24.2159 0.637759 -44.6921 O2L 10376 0 0 0 - 6.500000e-0110381 10379 OS3 SLES 1 22.4548 -0.880562 -45.4285 O2L 10376 0 0 0 - 6.500000e-0110382 10380 OS4 SLES 1 24.1272 -1.67631 -43.7467 O2L 10376 0 0 0 - 6.500000e-0110383 10381 C2 SLES 1 22.2651 -0.293442 -42.2725 CC32A 10377 10382 10383 10384 - 1.100000e-0110384 10382 H2A SLES 1 23.1805 -0.239842 -41.6258 HCA2 10381 0 0 0 9.000000e-0210385 10383 H2B SLES 1 21.8255 -1.32482 -42.2223 HCA2 10381 0 0 0 9.000000e-0210386 10384 C1 SLES 1 21.2324 0.785828 -41.8824 CC32A 10381 10385 10386 10387 - 1.000000e-0210387 10385 H1B SLES 1 21.6739 1.81251 -41.968 HCA2 10384 0 0 0 9.000000e-0210388 10386 H1A SLES 1 20.3297 0.728524 -42.539 HCA2 10384 0 0 0 9.000000e-0210389 10387 O1 SLES 1 20.6935 0.763312 -40.6006 OC30A 10384 10388 0 0 - 3.400000e-0110390 10388 C2 SLES 1 21.1396 -0.242648 -39.7096 CC32A 10387 10389 10390 10391 - 1.000000e-0210391 10389 H2A SLES 1 22.2535 -0.164001 -39.5531 HCA2 10388 0 0 0 9.000000e-0210392 10390 H2B SLES 1 20.9098 -1.26114 -40.1013 HCA2 10388 0 0 0 9.000000e-0210393 10391 C1 SLES 1 20.2883 0.478817 -38.6024 CC32A 10388 10392 10393 10394 - 1.000000e-0210394 10392 H1B SLES 1 21.1963 0.65649 -38.0111 HCA2 10391 0 0 0 9.000000e-0210395 10393 H1A SLES 1 19.7139 -0.515444 -38.6643 HCA2 10391 0 0 0 9.000000e-0210396 10394 O1 SLES 1 19.3933 0.661847 -37.5359 OC30A 10391 10395 0 0 - 3.400000e-0110397 10395 C1 SLES 1 19.6287 -0.0556061 -36.3327 CTL2 10394 10396 10397 10398 - 1.800000e-0110398 10396 H11 SLES 1 20.6836 -0.0306716 -35.9406 HAL2 10395 0 0 0 9.000000e-0210399 10397 H12 SLES 1 19.3518 -1.13244 -36.4603 HAL2 10395 0 0 0 9.000000e-0210400 10398 C2 SLES 1 18.6631 0.688909 -35.4116 CTL2 10395 10399 10400 10401 - 1.800000e-0110401 10399 H21 SLES 1 18.9555 1.75006 -35.2243 HAL2 10398 0 0 0 9.000000e-0210402 10400 H22 SLES 1 17.6056 0.661981 -35.7713 HAL2 10398 0 0 0 9.000000e-0210403 10401 C3 SLES 1 18.7584 -0.0705721 -34.1505 CTL2 10398 10402 10403 10404 - 1.800000e-0110404 10402 H31 SLES 1 19.8404 -0.00200562 -33.8539 HAL2 10401 0 0 0 9.000000e-0210405 10403 H32 SLES 1 18.4569 -1.1202 -34.421 HAL2 10401 0 0 0 9.000000e-0210406 10404 C4 SLES 1 17.9529 0.312422 -32.9515 CTL2 10401 10405 10406 10407 - 1.800000e-0110407 10405 H41 SLES 1 18.1959 1.34952 -32.6122 HAL2 10404 0 0 0 9.000000e-0210408 10406 H42 SLES 1 16.8591 0.266707 -33.1645 HAL2 10404 0 0 0 9.000000e-0210409 10407 C5 SLES 1 18.449 -0.785032 -32.0004 CTL2 10404 10408 10409 10410 - 1.800000e-0110410 10408 H51 SLES 1 19.5643 -0.731426 -31.8853 HAL2 10407 0 0 0 9.000000e-0210411 10409 H52 SLES 1 18.2426 -1.8004 -32.4303 HAL2 10407 0 0 0 9.000000e-0210412 10410 C6 SLES 1 17.8945 -0.792326 -30.6418 CTL2 10407 10411 10412 10413 - 1.800000e-0110413 10411 H61 SLES 1 18.7736 -0.739757 -29.9436 HAL2 10410 0 0 0 9.000000e-0210414 10412 H62 SLES 1 17.448 -1.81162 -30.4901 HAL2 10410 0 0 0 9.000000e-0210415 10413 C7 SLES 1 16.8717 0.29928 -30.3044 CTL2 10410 10414 10415 10416 - 1.800000e-0110416 10414 H71 SLES 1 17.2803 1.33595 -30.3591 HAL2 10413 0 0 0 9.000000e-0210417 10415 H72 SLES 1 15.9385 0.250531 -30.9122 HAL2 10413 0 0 0 9.000000e-0210418 10416 C8 SLES 1 16.5912 -0.0712677 -28.8932 CTL2 10413 10417 10418 10419 - 1.800000e-0110419 10417 H81 SLES 1 17.5766 -0.0213796 -28.3505 HAL2 10416 0 0 0 9.000000e-0210420 10418 H82 SLES 1 16.2066 -1.13052 -28.916 HAL2 10416 0 0 0 9.000000e-0210421 10419 C9 SLES 1 15.6201 0.716524 -28.085 CTL2 10416 10420 10421 10422 - 1.800000e-0110422 10420 H91 SLES 1 15.9566 1.77424 -28.0033 HAL2 10419 0 0 0 9.000000e-0210423 10421 H92 SLES 1 14.6127 0.685989 -28.5576 HAL2 10419 0 0 0 9.000000e-0210424 10422 C10 SLES 1 15.6884 -0.0423176 -26.7614 CTL2 10419 10423 10424 10425 - 1.800000e-0110425 10423 H10 SLES 1 16.7427 -0.0391775 -26.3732 HAL2 10422 0 0 0 9.000000e-0210426 10424 H10 SLES 1 15.4085 -1.11881 -26.9235 HAL2 10422 0 0 0 9.000000e-0210427 10425 C11 SLES 1 14.8085 0.492708 -25.6787 CTL2 10422 10426 10427 10428 - 1.800000e-0110428 10426 H11 SLES 1 15.1035 1.55386 -25.5054 HAL2 10425 0 0 0 9.000000e-0210429 10427 H11 SLES 1 13.7612 0.468091 -26.0593 HAL2 10425 0 0 0 9.000000e-0210430 10428 C12 SLES 1 14.9802 -0.360704 -24.4189 CTL3 10425 10429 10430 10431 - 2.700000e-0110431 10429 H12 SLES 1 15.3678 0.261463 -23.5889 HAL3 10428 0 0 0 9.000000e-0210432 10430 H12 SLES 1 14.0162 -0.832578 -24.1461 HAL3 10428 0 0 0 9.000000e-0210433 10431 H12 SLES 1 15.7127 -1.19245 -24.5641 HAL3 10428 0 0 0 9.000000e-0210434 10432 NA SLES 1 17.1468 13.1925 -46.3827 NA 0 0 0 0 1 .000000e+0010435 10433 S SLES 1 19.3381 13.7984 -44.3813 SL 10434 10435 10436 10437 1.33 0000e+0010436 10434 OS1 SLES 1 18.2264 13.2659 -43.575 OSL 10433 10438 0 0 - 2.800000e-0110437 10435 OS2 SLES 1 18.49 14.8418 -44.913 O2L 10433 0 0 0 - 6.500000e-0110438 10436 OS3 SLES 1 19.3863 12.5878 -45.1684 O2L 10433 0 0 0 - 6.500000e-0110439 10437 OS4 SLES 1 20.3987 14.1178 -43.4676 O2L 10433 0 0 0 - 6.500000e-0110440 10438 C2 SLES 1 18.1916 13.0571 -42.2199 CC32A 10434 10439 10440 10441 - 1.100000e-0110441 10439 H2A SLES 1 18.3494 14.0195 -41.6652 HCA2 10438 0 0 0 9.000000e-0210442 10440 H2B SLES 1 18.9684 12.3089 -41.9095 HCA2 10438 0 0 0 9.000000e-0210443 10441 C1 SLES 1 16.7617 12.5127 -42.0138 CC32A 10438 10442 10443 10444 - 1.000000e-0210444 10442 H1B SLES 1 15.9964 13.2559 -42.3577 HCA2 10441 0 0 0 9.000000e-0210445 10443 H1A SLES 1 16.6137 11.5594 -42.5782 HCA2 10441 0 0 0 9.000000e-0210446 10444 O1 SLES 1 16.3499 12.1856 -40.7263 OC30A 10441 10445 0 0 - 3.400000e-0110447 10445 C2 SLES 1 17.2634 12.3905 -39.6641 CC32A 10444 10446 10447 10448 - 1.000000e-0210448 10446 H2A SLES 1 17.5609 13.4765 -39.605 HCA2 10445 0 0 0 9.000000e-0210449 10447 H2B SLES 1 18.1861 11.7793 -39.8003 HCA2 10445 0 0 0 9.000000e-0210450 10448 C1 SLES 1 16.0918 11.9972 -38.6927 CC32A 10445 10449 10450 10451 - 1.000000e-0210451 10449 H1B SLES 1 16.1437 12.9865 -38.2192 HCA2 10448 0 0 0 9.000000e-0210452 10450 H1A SLES 1 16.8073 11.12 -38.4905 HCA2 10448 0 0 0 9.000000e-0210453 10451 O1 SLES 1 15.4047 11.3768 -37.6368 OC30A 10448 10452 0 0 - 3.400000e-0110454 10452 C1 SLES 1 15.9205 11.5266 -36.3217 CTL2 10451 10453 10454 10455 - 1.800000e-0110455 10453 H11 SLES 1 16.202 12.5733 -36.0174 HAL2 10452 0 0 0 9.000000e-0210456 10454 H12 SLES 1 16.8304 10.8896 -36.1848 HAL2 10452 0 0 0 9.000000e-0210457 10455 C2 SLES 1 14.7217 11.0081 -35.5287 CTL2 10452 10456 10457 10458 - 1.800000e-0110458 10456 H21 SLES 1 13.8205 11.6629 -35.605 HAL2 10455 0 0 0 9.000000e-0210459 10457 H22 SLES 1 14.435 9.96308 -35.8008 HAL2 10455 0 0 0 9.000000e-0210460 10458 C3 SLES 1 15.215 11.0216 -34.1385 CTL2 10455 10459 10460 10461 - 1.800000e-0110461 10459 H31 SLES 1 15.4841 12.0945 -33.9386 HAL2 10458 0 0 0 9.000000e-0210462 10460 H32 SLES 1 16.1178 10.3504 -34.1449 HAL2 10458 0 0 0 9.000000e-0210463 10461 C4 SLES 1 14.3523 10.5705 -33.0048 CTL2 10458 10462 10463 10464 - 1.800000e-0110464 10462 H41 SLES 1 13.427 11.1928 -32.9246 HAL2 10461 0 0 0 9.000000e-0210465 10463 H42 SLES 1 14.0423 9.50623 -33.1276 HAL2 10461 0 0 0 9.000000e-0210466 10464 C5 SLES 1 15.3561 10.7998 -31.8669 CTL2 10461 10465 10466 10467 - 1.800000e-0110467 10465 H51 SLES 1 15.6848 11.8729 -31.8423 HAL2 10464 0 0 0 9.000000e-0210468 10466 H52 SLES 1 16.2915 10.206 -32.0425 HAL2 10464 0 0 0 9.000000e-0210469 10467 C6 SLES 1 14.9105 10.4744 -30.5072 CTL2 10464 10468 10469 10470 - 1.800000e-0110470 10468 H61 SLES 1 15.0466 11.41 -29.8997 HAL2 10467 0 0 0 9.000000e-0210471 10469 H62 SLES 1 15.6548 9.73834 -30.1003 HAL2 10467 0 0 0 9.000000e-0210472 10470 C7 SLES 1 13.4827 9.93585 -30.3557 CTL2 10467 10471 10472 10473 - 1.800000e-0110473 10471 H71 SLES 1 12.6907 10.6562 -30.6697 HAL2 10470 0 0 0 9.000000e-0210474 10472 H72 SLES 1 13.3068 8.96388 -30.8725 HAL2 10470 0 0 0 9.000000e-0210475 10473 C8 SLES 1 13.4576 9.75113 -28.8817 CTL2 10470 10474 10475 10476 - 1.800000e-0110476 10474 H81 SLES 1 13.6633 10.7628 -28.4319 HAL2 10473 0 0 0 9.000000e-0210477 10475 H82 SLES 1 14.2933 9.03454 -28.6397 HAL2 10473 0 0 0 9.000000e-0210478 10476 C9 SLES 1 12.2383 9.22592 -28.2077 CTL2 10473 10477 10478 10479 - 1.800000e-0110479 10477 H91 SLES 1 11.3758 9.90561 -28.3889 HAL2 10476 0 0 0 9.000000e-0210480 10478 H92 SLES 1 11.9939 8.21022 -28.5922 HAL2 10476 0 0 0 9.000000e-0210481 10479 C10 SLES 1 12.7096 9.22337 -26.755 CTL2 10476 10480 10481 10482 - 1.800000e-0110482 10480 H10 SLES 1 13.0116 10.2615 -26.4496 HAL2 10479 0 0 0 9.000000e-0210483 10481 H10 SLES 1 13.6246 8.57871 -26.6516 HAL2 10479 0 0 0 9.000000e-0210484 10482 C11 SLES 1 11.7029 8.73746 -25.7636 CTL2 10479 10483 10484 10485 - 1.800000e-0110485 10483 H11 SLES 1 10.8053 9.39262 -25.8537 HAL2 10482 0 0 0 9.000000e-0210486 10484 H11 SLES 1 11.4217 7.69963 -26.0573 HAL2 10482 0 0 0 9.000000e-0210487 10485 C12 SLES 1 12.3097 8.79042 -24.3586 CTL3 10482 10486 10487 10488 - 2.700000e-0110488 10486 H12 SLES 1 11.7242 9.47807 -23.718 HAL3 10485 0 0 0 9.000000e-0210489 10487 H12 SLES 1 12.3454 7.7732 -23.9222 HAL3 10485 0 0 0 9.000000e-0210490 10488 H12 SLES 1 13.36 9.17302 -24.3621 HAL3 10485 0 0 0 9.000000e-0210491 10489 NA SLES 1 7.34024 20.3822 -46.3717 NA 0 0 0 0 1 .000000e+0010492 10490 S SLES 1 7.06922 22.6573 -44.3906 SL 10491 10492 10493 10494 1.33 0000e+0010493 10491 OS1 SLES 1 6.98382 21.4338 -43.5751 OSL 10490 10495 0 0 - 2.800000e-0110494 10492 OS2 SLES 1 5.95445 22.2266 -45.2045 O2L 10490 0 0 0 - 6.500000e-0110495 10493 OS3 SLES 1 8.37188 22.2734 -44.8836 O2L 10490 0 0 0 - 6.500000e-0110496 10494 OS4 SLES 1 6.92715 23.7674 -43.491 O2L 10490 0 0 0 - 6.500000e-0110497 10495 C2 SLES 1 6.84371 21.335 -42.2143 CC32A 10491 10496 10497 10498 - 1.100000e-0110498 10496 H2A SLES 1 5.89185 21.8235 -41.8762 HCA2 10495 0 0 0 9.000000e-0210499 10497 H2B SLES 1 7.71736 21.8015 -41.6864 HCA2 10495 0 0 0 9.000000e-0210500 10498 C1 SLES 1 6.80113 19.8061 -42.0042 CC32A 10495 10499 10500 10501 - 1.000000e-0210501 10499 H1B SLES 1 5.94372 19.3486 -42.5627 HCA2 10498 0 0 0 9.000000e-0210502 10500 H1A SLES 1 7.75027 19.33 -42.353 HCA2 10498 0 0 0 9.000000e-0210503 10501 O1 SLES 1 6.65541 19.3125 -40.7122 OC30A 10498 10502 0 0 - 3.400000e-0110504 10502 C2 SLES 1 6.5323 20.2454 -39.6542 CC32A 10501 10503 10504 10505 - 1.000000e-0210505 10503 H2A SLES 1 5.63223 20.9055 -39.8144 HCA2 10502 0 0 0 9.000000e-0210506 10504 H2B SLES 1 7.4362 20.8942 -39.5795 HCA2 10502 0 0 0 9.000000e-0210507 10505 C1 SLES 1 6.261 19.0155 -38.7137 CC32A 10502 10506 10507 10508 - 1.000000e-0210508 10506 H1B SLES 1 5.26757 19.4139 -38.4687 HCA2 10505 0 0 0 9.000000e-0210509 10507 H1A SLES 1 7.2565 19.3787 -38.2672 HCA2 10505 0 0 0 9.000000e-0210510 10508 O1 SLES 1 6.34229 18.16 -37.6031 OC30A 10505 10509 0 0 - 3.400000e-0110511 10509 C1 SLES 1 6.07378 18.7025 -36.318 CTL2 10508 10510 10511 10512 - 1.800000e-0110512 10510 H11 SLES 1 5.14651 19.3351 -36.2324 HAL2 10509 0 0 0 9.000000e-0210513 10511 H12 SLES 1 6.93268 19.3317 -35.9731 HAL2 10509 0 0 0 9.000000e-0210514 10512 C2 SLES 1 5.94897 17.4022 -35.5252 CTL2 10509 10513 10514 10515 - 1.800000e-0110515 10513 H21 SLES 1 5.06271 16.7878 -35.8145 HAL2 10512 0 0 0 9.000000e-0210516 10514 H22 SLES 1 6.86549 16.7655 -35.5804 HAL2 10512 0 0 0 9.000000e-0210517 10515 C3 SLES 1 5.77913 17.8762 -34.1386 CTL2 10512 10516 10517 10518 - 1.800000e-0110518 10516 H31 SLES 1 4.84828 18.5058 -34.1613 HAL2 10515 0 0 0 9.000000e-0210519 10517 H32 SLES 1 6.70039 18.486 -33.9261 HAL2 10515 0 0 0 9.000000e-0210520 10518 C4 SLES 1 5.62802 16.9161 -33.0036 CTL2 10515 10519 10520 10521 - 1.800000e-0110521 10519 H41 SLES 1 4.72633 16.2685 -33.1354 HAL2 10518 0 0 0 9.000000e-0210522 10520 H42 SLES 1 6.51907 16.2517 -32.9112 HAL2 10518 0 0 0 9.000000e-0210523 10521 C5 SLES 1 5.49586 17.9425 -31.8705 CTL2 10518 10522 10523 10524 - 1.800000e-0110524 10522 H51 SLES 1 4.62638 18.627 -32.059 HAL2 10521 0 0 0 9.000000e-0210525 10523 H52 SLES 1 6.39754 18.6091 -31.8369 HAL2 10521 0 0 0 9.000000e-0210526 10524 C6 SLES 1 5.3202 17.4182 -30.5112 CTL2 10521 10525 10526 10527 - 1.800000e-0110527 10525 H61 SLES 1 4.37297 17.8772 -30.1176 HAL2 10524 0 0 0 9.000000e-0210528 10526 H62 SLES 1 6.14908 17.8591 -29.8948 HAL2 10524 0 0 0 9.000000e-0210529 10527 C7 SLES 1 5.28581 15.8931 -30.3554 CTL2 10524 10528 10529 10530 - 1.800000e-0110530 10528 H71 SLES 1 4.43308 15.4027 -30.8817 HAL2 10527 0 0 0 9.000000e-0210531 10529 H72 SLES 1 6.23121 15.3845 -30.656 HAL2 10527 0 0 0 9.000000e-0210532 10530 C8 SLES 1 5.09918 15.8126 -28.8836 CTL2 10527 10531 10532 10533 - 1.800000e-0110533 10531 H81 SLES 1 4.14357 16.3626 -28.6547 HAL2 10530 0 0 0 9.000000e-0210534 10532 H82 SLES 1 5.98035 16.3448 -28.4247 HAL2 10530 0 0 0 9.000000e-0210535 10533 C9 SLES 1 5.00139 14.4901 -28.2067 CTL2 10530 10534 10535 10536 - 1.800000e-0110536 10534 H91 SLES 1 4.13033 13.92 -28.6004 HAL2 10533 0 0 0 9.000000e-0210537 10535 H92 SLES 1 5.93208 13.9027 -28.3742 HAL2 10533 0 0 0 9.000000e-0210538 10536 C10 SLES 1 4.82396 14.9382 -26.7575 CTL2 10533 10537 10538 10539 - 1.800000e-0110539 10537 H10 SLES 1 3.91113 15.587 -26.6673 HAL2 10536 0 0 0 9.000000e-0210540 10538 H10 SLES 1 5.69938 15.5693 -26.443 HAL2 10536 0 0 0 9.000000e-0210541 10539 C11 SLES 1 4.68865 13.8303 -25.7641 CTL2 10536 10540 10541 10542 - 1.800000e-0110542 10540 H11 SLES 1 3.80652 13.2192 -26.0667 HAL2 10539 0 0 0 9.000000e-0210543 10541 H11 SLES 1 5.60553 13.2011 -25.8414 HAL2 10539 0 0 0 9.000000e-0210544 10542 C12 SLES 1 4.51832 14.4245 -24.3631 CTL3 10539 10543 10544 10545 - 2.700000e-0110545 10543 H12 SLES 1 3.54187 14.1209 -23.9383 HAL3 10542 0 0 0 9.000000e-0210546 10544 H12 SLES 1 5.3535 14.1032 -23.7107 HAL3 10542 0 0 0 9.000000e-0210547 10545 H12 SLES 1 4.53056 15.5422 -24.3699 HAL3 10542 0 0 0 9.000000e-0210548 10546 NA SLES 1 -5.29642 21.7979 -46.0756 NA 0 0 0 0 1 .000000e+0010549 10547 S SLES 1 -7.86915 22.1032 -44.5065 SL 10548 10549 10550 10551 1.33 0000e+0010550 10548 OS1 SLES 1 -6.92561 21.4741 -43.5667 OSL 10547 10552 0 0 - 2.800000e-0110551 10549 OS2 SLES 1 -7.68527 21.0277 -45.4553 O2L 10547 0 0 0 - 6.500000e-0110552 10550 OS3 SLES 1 -6.98632 23.2331 -44.6828 O2L 10547 0 0 0 - 6.500000e-0110553 10551 OS4 SLES 1 -9.1148 22.2521 -43.8079 O2L 10547 0 0 0 - 6.500000e-0110554 10552 C2 SLES 1 -7.14379 21.1272 -42.2578 CC32A 10548 10553 10554 10555 - 1.100000e-0110555 10553 H2A SLES 1 -7.97659 20.3795 -42.1782 HCA2 10552 0 0 0 9.000000e-0210556 10554 H2B SLES 1 -7.38568 22.0313 -41.6384 HCA2 10552 0 0 0 9.000000e-0210557 10555 C1 SLES 1 -5.78719 20.5084 -41.8573 CC32A 10552 10556 10557 10558 - 1.000000e-0210558 10556 H1B SLES 1 -5.54226 19.6267 -42.5045 HCA2 10555 0 0 0 9.000000e-0210559 10557 H1A SLES 1 -4.96462 21.2595 -41.9494 HCA2 10555 0 0 0 9.000000e-0210560 10558 O1 SLES 1 -5.6295 20.0231 -40.5636 OC30A 10555 10559 0 0 - 3.400000e-0110561 10559 C2 SLES 1 -6.73586 20.1044 -39.6837 CC32A 10558 10560 10561 10562 - 1.000000e-0210562 10560 H2A SLES 1 -7.61364 19.5331 -40.1014 HCA2 10559 0 0 0 9.000000e-0210563 10561 H2B SLES 1 -7.0485 21.1628 -39.5233 HCA2 10559 0 0 0 9.000000e-0210564 10562 C1 SLES 1 -5.87234 19.2847 -38.6574 CC32A 10559 10563 10564 10565 - 1.000000e-0210565 10563 H1B SLES 1 -6.61782 18.4786 -38.6643 HCA2 10562 0 0 0 9.000000e-0210566 10564 H1A SLES 1 -5.96271 20.2749 -38.0797 HCA2 10562 0 0 0 9.000000e-0210567 10565 O1 SLES 1 -5.27003 18.9027 -37.4478 OC30A 10562 10566 0 0 - 3.400000e-0110568 10566 C1 SLES 1 -6.10824 18.6787 -36.323 CTL2 10565 10567 10568 10569 - 1.800000e-0110569 10567 H11 SLES 1 -7.01712 18.0394 -36.5034 HAL2 10566 0 0 0 9.000000e-0210570 10568 H12 SLES 1 -6.46988 19.6523 -35.9061 HAL2 10566 0 0 0 9.000000e-0210571 10569 C2 SLES 1 -5.10248 17.9885 -35.4026 CTL2 10566 10570 10571 10572 - 1.800000e-0110572 10570 H21 SLES 1 -4.7743 16.9875 -35.7727 HAL2 10569 0 0 0 9.000000e-0210573 10571 H22 SLES 1 -4.1993 18.6123 -35.1941 HAL2 10569 0 0 0 9.000000e-0210574 10572 C3 SLES 1 -5.86423 17.8172 -34.151 CTL2 10569 10573 10574 10575 - 1.800000e-0110575 10573 H31 SLES 1 -6.75065 17.1881 -34.4369 HAL2 10572 0 0 0 9.000000e-0210576 10574 H32 SLES 1 -6.16173 18.8591 -33.848 HAL2 10572 0 0 0 9.000000e-0210577 10575 C4 SLES 1 -5.24734 17.1797 -32.9484 CTL2 10572 10576 10577 10578 - 1.800000e-0110578 10576 H41 SLES 1 -4.9241 16.1315 -33.164 HAL2 10575 0 0 0 9.000000e-0210579 10577 H42 SLES 1 -4.35553 17.7503 -32.5977 HAL2 10575 0 0 0 9.000000e-0210580 10578 C5 SLES 1 -6.45761 17.2764 -32.0098 CTL2 10575 10579 10580 10581 - 1.800000e-0110581 10579 H51 SLES 1 -7.34226 16.7458 -32.4524 HAL2 10578 0 0 0 9.000000e-0210582 10580 H52 SLES 1 -6.77939 18.3446 -31.8923 HAL2 10578 0 0 0 9.000000e-0210583 10581 C6 SLES 1 -6.29447 16.7434 -30.6524 CTL2 10578 10582 10583 10584 - 1.800000e-0110584 10582 H61 SLES 1 -7.10926 15.9819 -30.514 HAL2 10581 0 0 0 9.000000e-0210585 10583 H62 SLES 1 -6.54468 17.5851 -29.9521 HAL2 10581 0 0 0 9.000000e-0210586 10584 C7 SLES 1 -4.92815 16.1408 -30.3036 CTL2 10581 10585 10586 10587 - 1.800000e-0110587 10585 H71 SLES 1 -4.65751 15.2472 -30.9142 HAL2 10584 0 0 0 9.000000e-0210588 10586 H72 SLES 1 -4.08621 16.8703 -30.3452 HAL2 10584 0 0 0 9.000000e-0210589 10587 C8 SLES 1 -5.20005 15.7427 -28.8982 CTL2 10584 10588 10589 10590 - 1.800000e-0110590 10588 H81 SLES 1 -6.06984 15.0283 -28.9337 HAL2 10587 0 0 0 9.000000e-0210591 10589 H82 SLES 1 -5.48689 16.6866 -28.3532 HAL2 10587 0 0 0 9.000000e-0210592 10590 C9 SLES 1 -4.1425 15.085 -28.0823 CTL2 10587 10591 10592 10593 - 1.800000e-0110593 10591 H91 SLES 1 -3.83006 14.128 -28.5569 HAL2 10590 0 0 0 9.000000e-0210594 10592 H92 SLES 1 -3.25842 15.7547 -27.9869 HAL2 10590 0 0 0 9.000000e-0210595 10593 C10 SLES 1 -4.89499 14.889 -26.7678 CTL2 10590 10594 10595 10596 - 1.800000e-0110596 10594 H10 SLES 1 -5.81488 14.2683 -26.9431 HAL2 10593 0 0 0 9.000000e-0210597 10595 H10 SLES 1 -5.247 15.8826 -26.3775 HAL2 10593 0 0 0 9.000000e-0210598 10596 C11 SLES 1 -4.10907 14.2317 -25.6802 CTL2 10593 10597 10598 10599 - 1.800000e-0110599 10597 H11 SLES 1 -3.78006 13.2376 -26.0628 HAL2 10596 0 0 0 9.000000e-0210600 10598 H11 SLES 1 -3.2084 14.8615 -25.4941 HAL2 10596 0 0 0 9.000000e-0210601 10599 C12 SLES 1 -4.98473 14.1014 -24.4307 CTL3 10596 10600 10601 10602 - 2.700000e-0110602 10600 H12 SLES 1 -5.11134 13.0338 -24.1657 HAL3 10599 0 0 0 9.000000e-0210603 10601 H12 SLES 1 -4.53629 14.6693 -23.5923 HAL3 10599 0 0 0 9.000000e-0210604 10602 H12 SLES 1 -6.01107 14.5167 -24.5843 HAL3 10599 0 0 0 9.000000e-0210605 10603 NA SLES 1 -17.7957 15.4831 -45.6075 NA 0 0 0 0 1 .000000e+0010606 10604 S SLES 1 -19.0841 12.9018 -44.6847 SL 10605 10606 10607 10608 1.33 0000e+0010607 10605 OS1 SLES 1 -18.2449 13.3311 -43.553 OSL 10604 10609 0 0 - 2.800000e-0110608 10606 OS2 SLES 1 -17.9404 12.902 -45.5694 O2L 10604 0 0 0 - 6.500000e-0110609 10607 OS3 SLES 1 -19.8262 14.1407 -44.6429 O2L 10604 0 0 0 - 6.500000e-0110610 10608 OS4 SLES 1 -19.7041 11.666 -44.2973 O2L 10604 0 0 0 - 6.500000e-0110611 10609 C2 SLES 1 -18.0963 12.7208 -42.3337 CC32A 10605 10610 10611 10612 - 1.100000e-0110612 10610 H2A SLES 1 -17.6874 11.6831 -42.4559 HCA2 10609 0 0 0 9.000000e-0210613 10611 H2B SLES 1 -19.0737 12.6807 -41.7837 HCA2 10609 0 0 0 9.000000e-0210614 10612 C1 SLES 1 -17.0836 13.649 -41.6292 CC32A 10609 10613 10614 10615 - 1.000000e-0210615 10613 H1B SLES 1 -16.1239 13.7059 -42.2055 HCA2 10612 0 0 0 9.000000e-0210616 10614 H1A SLES 1 -17.4982 14.6814 -41.5217 HCA2 10612 0 0 0 9.000000e-0210617 10615 O1 SLES 1 -16.6756 13.3354 -40.3372 OC30A 10612 10616 0 0 - 3.400000e-0110618 10616 C2 SLES 1 -17.1987 12.1624 -39.7413 CC32A 10615 10617 10618 10619 - 1.000000e-0210619 10617 H2A SLES 1 -16.9318 11.2559 -40.3565 HCA2 10616 0 0 0 9.000000e-0210620 10618 H2B SLES 1 -18.3092 12.2138 -39.6532 HCA2 10616 0 0 0 9.000000e-0210621 10619 C1 SLES 1 -16.2152 12.4328 -38.5453 CC32A 10616 10620 10621 10622 - 1.000000e-0210622 10620 H1B SLES 1 -15.715 11.4732 -38.7313 HCA2 10619 0 0 0 9.000000e-0210623 10621 H1A SLES 1 -17.2181 12.57 -37.9998 HCA2 10619 0 0 0 9.000000e-0210624 10622 O1 SLES 1 -15.7452 12.5786 -37.2301 OC30A 10619 10623 0 0 - 3.400000e-0110625 10623 C1 SLES 1 -15.9096 11.488 -36.3348 CTL2 10622 10624 10625 10626 - 1.800000e-0110626 10624 H11 SLES 1 -15.6081 10.4768 -36.7269 HAL2 10623 0 0 0 9.000000e-0210627 10625 H12 SLES 1 -16.9774 11.4083 -36.0093 HAL2 10623 0 0 0 9.000000e-0210628 10626 C2 SLES 1 -14.9905 11.9568 -35.2076 CTL2 10623 10627 10628 10629 - 1.800000e-0110629 10627 H21 SLES 1 -13.9121 11.9862 -35.4956 HAL2 10626 0 0 0 9.000000e-0210630 10628 H22 SLES 1 -15.2816 12.9512 -34.7896 HAL2 10626 0 0 0 9.000000e-0210631 10629 C3 SLES 1 -15.1879 10.9262 -34.1707 CTL2 10626 10630 10631 10632 - 1.800000e-0110632 10630 H31 SLES 1 -14.88 9.96236 -34.6601 HAL2 10629 0 0 0 9.000000e-0210633 10631 H32 SLES 1 -16.2889 10.9541 -33.9406 HAL2 10629 0 0 0 9.000000e-0210634 10632 C4 SLES 1 -14.4731 10.9972 -32.8604 CTL2 10629 10633 10634 10635 - 1.800000e-0110635 10633 H41 SLES 1 -13.3642 10.9712 -32.9996 HAL2 10632 0 0 0 9.000000e-0210636 10634 H42 SLES 1 -14.7293 11.931 -32.3071 HAL2 10632 0 0 0 9.000000e-0210637 10635 C5 SLES 1 -15.0507 9.72196 -32.2316 CTL2 10632 10636 10637 10638 - 1.800000e-0110638 10636 H51 SLES 1 -14.8224 8.82904 -32.8724 HAL2 10635 0 0 0 9.000000e-0210639 10637 H52 SLES 1 -16.1702 9.77804 -32.1873 HAL2 10635 0 0 0 9.000000e-0210640 10638 C6 SLES 1 -14.6011 9.38243 -30.8767 CTL2 10635 10639 10640 10641 - 1.800000e-0110641 10639 H61 SLES 1 -14.1777 8.34325 -30.9376 HAL2 10638 0 0 0 9.000000e-0210642 10640 H62 SLES 1 -15.5292 9.29496 -30.2504 HAL2 10638 0 0 0 9.000000e-0210643 10641 C7 SLES 1 -13.5962 10.3367 -30.2201 CTL2 10638 10642 10643 10644 - 1.800000e-0110644 10642 H71 SLES 1 -12.6195 10.4047 -30.7548 HAL2 10641 0 0 0 9.000000e-0210645 10643 H72 SLES 1 -13.9879 11.3679 -30.059 HAL2 10641 0 0 0 9.000000e-0210646 10644 C8 SLES 1 -13.4256 9.63808 -28.92 CTL2 10641 10645 10646 10647 - 1.800000e-0110647 10645 H81 SLES 1 -13.0516 8.60393 -29.1625 HAL2 10644 0 0 0 9.000000e-0210648 10646 H82 SLES 1 -14.4499 9.58758 -28.4525 HAL2 10644 0 0 0 9.000000e-0210649 10647 C9 SLES 1 -12.511 10.1885 -27.882 CTL2 10644 10648 10649 10650 - 1.800000e-0110650 10648 H91 SLES 1 -11.4711 10.2421 -28.2751 HAL2 10647 0 0 0 9.000000e-0210651 10649 H92 SLES 1 -12.8429 11.2067 -27.5782 HAL2 10647 0 0 0 9.000000e-0210652 10650 C10 SLES 1 -12.6871 9.14377 -26.782 CTL2 10647 10651 10652 10653 - 1.800000e-0110653 10651 H10 SLES 1 -12.4071 8.1279 -27.1717 HAL2 10650 0 0 0 9.000000e-0210654 10652 H10 SLES 1 -13.7682 9.08572 -26.48 HAL2 10650 0 0 0 9.000000e-0210655 10653 C11 SLES 1 -11.887 9.38703 -25.5437 CTL2 10650 10654 10655 10656 - 1.800000e-0110656 10654 H11 SLES 1 -10.8137 9.42227 -25.8437 HAL2 10653 0 0 0 9.000000e-0210657 10655 H11 SLES 1 -12.1828 10.3862 -25.1481 HAL2 10653 0 0 0 9.000000e-0210658 10656 C12 SLES 1 -12.1617 8.26769 -24.5355 CTL3 10653 10657 10658 10659 - 2.700000e-0110659 10657 H12 SLES 1 -11.2259 7.71906 -24.3133 HAL3 10656 0 0 0 9.000000e-0210660 10658 H12 SLES 1 -12.6049 8.68909 -23.6123 HAL3 10656 0 0 0 9.000000e-0210661 10659 H12 SLES 1 -12.8899 7.51373 -24.9236 HAL3 10656 0 0 0 9.000000e-0210662 10660 NA SLES 1 -24.6115 1.64418 -45.1462 NA 0 0 0 0 1 .000000e+0010663 10661 S SLES 1 -22.6065 -0.607557 -44.8572 SL 10662 10663 10664 10665 1.33 0000e+0010664 10662 OS1 SLES 1 -22.6295 0.0495181 -43.5392 OSL 10661 10666 0 0 - 2.800000e-0110665 10663 OS2 SLES 1 -22.257 0.637759 -45.5035 O2L 10661 0 0 0 - 6.500000e-0110666 10664 OS3 SLES 1 -24.023 -0.880562 -44.7789 O2L 10661 0 0 0 - 6.500000e-0110667 10665 OS4 SLES 1 -21.6512 -1.67631 -44.7723 O2L 10661 0 0 0 - 6.500000e-0110668 10666 C2 SLES 1 -21.9255 -0.293442 -42.4132 CC32A 10662 10667 10668 10669 - 1.100000e-0110669 10667 H2A SLES 1 -20.821 -0.239842 -42.6032 HCA2 10666 0 0 0 9.000000e-0210670 10668 H2B SLES 1 -22.2009 -1.32482 -42.0668 HCA2 10666 0 0 0 9.000000e-0210671 10669 C1 SLES 1 -22.38 0.785828 -41.4071 CC32A 10666 10670 10671 10672 - 1.000000e-0210672 10670 H1B SLES 1 -22.1283 1.81251 -41.7798 HCA2 10669 0 0 0 9.000000e-0210673 10671 H1A SLES 1 -23.4825 0.728524 -41.2331 HCA2 10669 0 0 0 9.000000e-0210674 10672 O1 SLES 1 -21.8546 0.763312 -40.1196 OC30A 10669 10673 0 0 - 3.400000e-0110675 10673 C2 SLES 1 -20.9092 -0.242648 -39.805 CC32A 10672 10674 10675 10676 - 1.000000e-0210676 10674 H2A SLES 1 -20.0109 -0.164001 -40.4821 HCA2 10673 0 0 0 9.000000e-0210677 10675 H2B SLES 1 -21.3486 -1.26114 -39.9195 HCA2 10673 0 0 0 9.000000e-0210678 10676 C1 SLES 1 -20.7282 0.478817 -38.4202 CC32A 10673 10677 10678 10679 - 1.000000e-0210679 10677 H1B SLES 1 -19.668 0.65649 -38.6441 HCA2 10676 0 0 0 9.000000e-0210680 10678 H1A SLES 1 -21.1782 -0.515444 -38.0578 HCA2 10676 0 0 0 9.000000e-0210681 10679 O1 SLES 1 -20.6069 0.661847 -37.0332 OC30A 10676 10680 0 0 - 3.400000e-0110682 10680 C1 SLES 1 -19.5897 -0.0556061 -36.3488 CTL2 10679 10681 10682 10683 - 1.800000e-0110683 10681 H11 SLES 1 -18.5665 -0.0306716 -36.8175 HAL2 10680 0 0 0 9.000000e-0210684 10682 H12 SLES 1 -19.8756 -1.13244 -36.2433 HAL2 10680 0 0 0 9.000000e-0210685 10683 C2 SLES 1 -19.6212 0.688909 -35.0148 CTL2 10680 10684 10685 10686 - 1.800000e-0110686 10684 H21 SLES 1 -19.2819 1.75006 -35.0891 HAL2 10683 0 0 0 9.000000e-0210687 10685 H22 SLES 1 -20.6232 0.661981 -34.5214 HAL2 10683 0 0 0 9.000000e-0210688 10686 C3 SLES 1 -18.6621 -0.0705721 -34.1904 CTL2 10683 10687 10688 10689 - 1.800000e-0110689 10687 H31 SLES 1 -17.6872 -0.00200562 -34.7457 HAL2 10686 0 0 0 9.000000e-0210690 10688 H32 SLES 1 -19.0665 -1.1202 -34.1685 HAL2 10686 0 0 0 9.000000e-0210691 10689 C4 SLES 1 -18.3838 0.312422 -32.7731 CTL2 10686 10690 10691 10692 - 1.800000e-0110692 10690 H41 SLES 1 -17.972 1.34952 -32.7049 HAL2 10689 0 0 0 9.000000e-0210693 10691 H42 SLES 1 -19.3078 0.266707 -32.1502 HAL2 10689 0 0 0 9.000000e-0210694 10692 C5 SLES 1 -17.3605 -0.785032 -32.4513 CTL2 10689 10693 10694 10695 - 1.800000e-0110695 10693 H51 SLES 1 -16.4904 -0.731426 -33.1585 HAL2 10692 0 0 0 9.000000e-0210696 10694 H52 SLES 1 -17.8104 -1.8004 -32.6094 HAL2 10692 0 0 0 9.000000e-0210697 10695 C6 SLES 1 -16.7919 -0.792326 -31.0985 CTL2 10692 10696 10697 10698 - 1.800000e-0110698 10696 H61 SLES 1 -15.6766 -0.739757 -31.2264 HAL2 10695 0 0 0 9.000000e-0210699 10697 H62 SLES 1 -17.0003 -1.81162 -30.6756 HAL2 10695 0 0 0 9.000000e-0210700 10698 C7 SLES 1 -17.2765 0.29928 -30.1368 CTL2 10695 10699 10700 10701 - 1.800000e-0110701 10699 H71 SLES 1 -17.0263 1.33595 -30.4643 HAL2 10698 0 0 0 9.000000e-0210702 10700 H72 SLES 1 -18.3662 0.250531 -29.9066 HAL2 10698 0 0 0 9.000000e-0210703 10701 C8 SLES 1 -16.477 -0.0712677 -28.9405 CTL2 10698 10702 10703 10704 - 1.800000e-0110704 10702 H81 SLES 1 -15.3964 -0.0213796 -29.2535 HAL2 10701 0 0 0 9.000000e-0210705 10703 H82 SLES 1 -16.7651 -1.13052 -28.6847 HAL2 10701 0 0 0 9.000000e-0210706 10704 C9 SLES 1 -16.5922 0.716524 -27.6824 CTL2 10701 10705 10706 10707 - 1.800000e-0110707 10705 H91 SLES 1 -16.2965 1.77424 -27.8625 HAL2 10704 0 0 0 9.000000e-0210708 10706 H92 SLES 1 -17.6387 0.685989 -27.3042 HAL2 10704 0 0 0 9.000000e-0210709 10707 C10 SLES 1 -15.608 -0.0423176 -26.7947 CTL2 10704 10708 10709 10710 - 1.800000e-0110710 10708 H10 SLES 1 -14.588 -0.0391775 -27.2657 HAL2 10707 0 0 0 9.000000e-0210711 10709 H10 SLES 1 -15.9205 -1.11881 -26.7114 HAL2 10707 0 0 0 9.000000e-0210712 10710 C11 SLES 1 -15.4645 0.492708 -25.407 CTL2 10707 10711 10712 10713 - 1.800000e-0110713 10711 H11 SLES 1 -15.1334 1.55386 -25.493 HAL2 10710 0 0 0 9.000000e-0210714 10712 H11 SLES 1 -16.4743 0.468091 -24.9355 HAL2 10710 0 0 0 9.000000e-0210715 10713 C12 SLES 1 -14.4523 -0.360704 -24.6375 CTL3 10710 10714 10715 10716 - 2.700000e-0110716 10714 H12 SLES 1 -13.5914 0.261463 -24.3247 HAL3 10713 0 0 0 9.000000e-0210717 10715 H12 SLES 1 -14.9411 -0.832578 -23.7629 HAL3 10713 0 0 0 9.000000e-0210718 10716 H12 SLES 1 -14.037 -1.19245 -25.2581 HAL3 10713 0 0 0 9.000000e-0210719 10717 NA SLES 1 -20.8041 -14.3805 -44.8678 NA 0 0 0 0 1 .000000e+0010720 10718 S SLES 1 -17.9724 -13.3093 -44.958 SL 10719 10720 10721 10722 1.33 0000e+0010721 10719 OS1 SLES 1 -18.3355 -13.2979 -43.5307 OSL 10718 10723 0 0 - 2.800000e-0110722 10720 OS2 SLES 1 -19.1074 -12.4743 -45.2825 O2L 10718 0 0 0 - 6.500000e-0110723 10721 OS3 SLES 1 -18.2151 -14.7312 -45.039 O2L 10718 0 0 0 - 6.500000e-0110724 10722 OS4 SLES 1 -16.6369 -12.7901 -45.0514 O2L 10718 0 0 0 - 6.500000e-0110725 10723 C2 SLES 1 -17.5594 -12.9175 -42.4658 CC32A 10719 10724 10725 10726 - 1.100000e-0110726 10724 H2A SLES 1 -17.2486 -11.8439 -42.5638 HCA2 10723 0 0 0 9.000000e-0210727 10725 H2B SLES 1 -16.6497 -13.5691 -42.3797 HCA2 10723 0 0 0 9.000000e-0210728 10726 C1 SLES 1 -18.5215 -13.122 -41.2757 CC32A 10723 10727 10728 10729 - 1.000000e-0210729 10727 H1B SLES 1 -19.4403 -12.4903 -41.3901 HCA2 10726 0 0 0 9.000000e-0210730 10728 H1A SLES 1 -18.8312 -14.1928 -41.1939 HCA2 10726 0 0 0 9.000000e-0210731 10729 O1 SLES 1 -18.0723 -12.8235 -39.9938 OC30A 10726 10730 0 0 - 3.400000e-0110732 10730 C2 SLES 1 -16.7547 -12.3251 -39.8505 CC32A 10729 10731 10732 10733 - 1.000000e-0210733 10731 H2A SLES 1 -16.6317 -11.3658 -40.4302 HCA2 10730 0 0 0 9.000000e-0210734 10732 H2B SLES 1 -16.0017 -13.0596 -40.2206 HCA2 10730 0 0 0 9.000000e-0210735 10733 C1 SLES 1 -17.0913 -12.1117 -38.3299 CC32A 10730 10734 10735 10736 - 1.000000e-0210736 10734 H1B SLES 1 -16.9162 -11.0329 -38.436 HCA2 10733 0 0 0 9.000000e-0210737 10735 H1A SLES 1 -16.275 -12.9157 -38.2316 HCA2 10733 0 0 0 9.000000e-0210738 10736 O1 SLES 1 -16.9562 -12.1347 -36.9323 OC30A 10733 10737 0 0 - 3.400000e-0110739 10737 C1 SLES 1 -15.8078 -11.5253 -36.3598 CTL2 10736 10738 10739 10740 - 1.800000e-0110740 10738 H11 SLES 1 -15.5519 -10.4973 -36.7407 HAL2 10737 0 0 0 9.000000e-0210741 10739 H12 SLES 1 -14.9053 -12.1677 -36.5187 HAL2 10737 0 0 0 9.000000e-0210742 10740 C2 SLES 1 -16.251 -11.4948 -34.8977 CTL2 10737 10741 10742 10743 - 1.800000e-0110743 10741 H21 SLES 1 -17.1142 -10.8125 -34.7083 HAL2 10740 0 0 0 9.000000e-0210744 10742 H22 SLES 1 -16.4928 -12.5073 -34.4918 HAL2 10740 0 0 0 9.000000e-0210745 10743 C3 SLES 1 -15.0588 -10.9736 -34.2025 CTL2 10740 10744 10745 10746 - 1.800000e-0110746 10744 H31 SLES 1 -14.8764 -9.9637 -34.661 HAL2 10743 0 0 0 9.000000e-0210747 10745 H32 SLES 1 -14.2392 -11.7053 -34.4446 HAL2 10743 0 0 0 9.000000e-0210748 10746 C4 SLES 1 -15.0448 -10.7877 -32.7198 CTL2 10743 10747 10748 10749 - 1.800000e-0110749 10747 H41 SLES 1 -15.8335 -10.0661 -32.3925 HAL2 10746 0 0 0 9.000000e-0210750 10748 H42 SLES 1 -15.2173 -11.7522 -32.1871 HAL2 10746 0 0 0 9.000000e-0210751 10749 C5 SLES 1 -13.6143 -10.2484 -32.5848 CTL2 10746 10750 10751 10752 - 1.800000e-0110752 10750 H51 SLES 1 -13.4841 -9.31956 -33.2015 HAL2 10749 0 0 0 9.000000e-0210753 10751 H52 SLES 1 -12.876 -10.9854 -32.9972 HAL2 10749 0 0 0 9.000000e-0210754 10752 C6 SLES 1 -13.1514 -9.91379 -31.2332 CTL2 10749 10753 10754 10755 - 1.800000e-0110755 10753 H61 SLES 1 -12.8242 -8.83935 -31.2703 HAL2 10752 0 0 0 9.000000e-0210756 10754 H62 SLES 1 -12.2145 -10.5099 -31.0654 HAL2 10752 0 0 0 9.000000e-0210757 10755 C7 SLES 1 -14.1438 -10.136 -30.0855 CTL2 10752 10756 10757 10758 - 1.800000e-0110758 10756 H71 SLES 1 -15.0639 -9.50872 -30.1538 HAL2 10755 0 0 0 9.000000e-0210759 10757 H72 SLES 1 -14.4463 -11.1999 -29.9463 HAL2 10755 0 0 0 9.000000e-0210760 10758 C8 SLES 1 -13.2952 -9.68588 -28.952 CTL2 10755 10759 10760 10761 - 1.800000e-0110761 10759 H81 SLES 1 -13.0125 -8.61827 -29.1721 HAL2 10758 0 0 0 9.000000e-0210762 10760 H82 SLES 1 -12.3814 -10.3457 -28.9611 HAL2 10758 0 0 0 9.000000e-0210763 10761 C9 SLES 1 -13.822 -9.708 -27.5597 CTL2 10758 10762 10763 10764 - 1.800000e-0110764 10762 H91 SLES 1 -14.7175 -9.05228 -27.4769 HAL2 10761 0 0 0 9.000000e-0210765 10763 H92 SLES 1 -14.098 -10.7467 -27.2696 HAL2 10761 0 0 0 9.000000e-0210766 10764 C10 SLES 1 -12.6096 -9.17215 -26.801 CTL2 10761 10765 10766 10767 - 1.800000e-0110767 10765 H10 SLES 1 -12.3354 -8.15417 -27.1893 HAL2 10764 0 0 0 9.000000e-0210768 10766 H10 SLES 1 -11.7211 -9.83603 -26.9833 HAL2 10764 0 0 0 9.000000e-0210769 10767 C11 SLES 1 -12.7885 -9.0566 -25.3221 CTL2 10764 10768 10769 10770 - 1.800000e-0110770 10768 H11 SLES 1 -13.6569 -8.38021 -25.1447 HAL2 10767 0 0 0 9.000000e-0210771 10769 H11 SLES 1 -13.0393 -10.0723 -24.9375 HAL2 10767 0 0 0 9.000000e-0210772 10770 C12 SLES 1 -11.5017 -8.50959 -24.6978 CTL3 10767 10771 10772 10773 - 2.700000e-0110773 10771 H12 SLES 1 -11.7043 -7.54371 -24.1956 HAL3 10770 0 0 0 9.000000e-0210774 10772 H12 SLES 1 -11.0815 -9.24745 -23.9868 HAL3 10770 0 0 0 9.000000e-0210775 10773 H12 SLES 1 -10.708 -8.31343 -25.4601 HAL3 10770 0 0 0 9.000000e-0210776 10774 NA SLES 1 -7.15571 -24.2318 -44.8788 NA 0 0 0 0 1 .000000e+0010777 10775 S SLES 1 -7.18211 -21.2038 -44.9487 SL 10776 10777 10778 10779 1.33 0000e+0010778 10776 OS1 SLES 1 -6.98161 -21.5474 -43.5306 OSL 10775 10780 0 0 - 2.800000e-0110779 10777 OS2 SLES 1 -8.40647 -21.9718 -44.991 O2L 10775 0 0 0 - 6.500000e-0110780 10778 OS3 SLES 1 -5.99056 -21.9296 -45.3238 O2L 10775 0 0 0 - 6.500000e-0110781 10779 OS4 SLES 1 -7.21918 -19.7706 -45.0281 O2L 10775 0 0 0 - 6.500000e-0110782 10780 C2 SLES 1 -6.81196 -20.6928 -42.4714 CC32A 10776 10781 10782 10783 - 1.100000e-0110783 10781 H2A SLES 1 -7.70536 -20.0244 -42.3528 HCA2 10780 0 0 0 9.000000e-0210784 10782 H2B SLES 1 -5.88754 -20.0701 -42.6027 HCA2 10780 0 0 0 9.000000e-0210785 10783 C1 SLES 1 -6.67582 -21.6717 -41.2853 CC32A 10780 10784 10785 10786 - 1.000000e-0210786 10784 H1B SLES 1 -7.5919 -22.3098 -41.1852 HCA2 10783 0 0 0 9.000000e-0210787 10785 H1A SLES 1 -5.78846 -22.338 -41.4191 HCA2 10783 0 0 0 9.000000e-0210788 10786 O1 SLES 1 -6.49267 -21.1531 -40.008 OC30A 10783 10787 0 0 - 3.400000e-0110789 10787 C2 SLES 1 -6.46147 -19.7452 -39.8603 CC32A 10786 10788 10789 10790 - 1.000000e-0210790 10788 H2A SLES 1 -7.42818 -19.2903 -40.2208 HCA2 10787 0 0 0 9.000000e-0210791 10789 H2B SLES 1 -5.62237 -19.2959 -40.4413 HCA2 10787 0 0 0 9.000000e-0210792 10790 C1 SLES 1 -6.4138 -19.9935 -38.3089 CC32A 10787 10791 10792 10793 - 1.000000e-0210793 10791 H1B SLES 1 -7.36019 -19.4504 -38.1864 HCA2 10790 0 0 0 9.000000e-0210794 10792 H1A SLES 1 -5.37983 -19.5119 -38.4549 HCA2 10790 0 0 0 9.000000e-0210795 10793 O1 SLES 1 -6.01846 -19.8825 -36.966 OC30A 10790 10794 0 0 - 3.400000e-0110796 10794 C1 SLES 1 -6.04536 -18.5963 -36.3635 CTL2 10793 10795 10796 10797 - 1.800000e-0110797 10795 H11 SLES 1 -6.98243 -17.994 -36.5257 HAL2 10794 0 0 0 9.000000e-0210798 10796 H12 SLES 1 -5.18928 -17.9759 -36.7304 HAL2 10794 0 0 0 9.000000e-0210799 10797 C2 SLES 1 -5.88152 -19.0083 -34.9012 CTL2 10794 10798 10799 10800 - 1.800000e-0110800 10798 H21 SLES 1 -6.75331 -19.5782 -34.4989 HAL2 10797 0 0 0 9.000000e-0210801 10799 H22 SLES 1 -4.94789 -19.5923 -34.7123 HAL2 10797 0 0 0 9.000000e-0210802 10800 C3 SLES 1 -5.78442 -17.7128 -34.2023 CTL2 10797 10801 10802 10803 - 1.800000e-0110803 10801 H31 SLES 1 -6.74839 -17.1851 -34.4383 HAL2 10800 0 0 0 9.000000e-0210804 10802 H32 SLES 1 -4.89499 -17.2009 -34.6634 HAL2 10800 0 0 0 9.000000e-0210805 10803 C4 SLES 1 -5.60064 -17.6422 -32.721 CTL2 10800 10804 10805 10806 - 1.800000e-0110806 10804 H41 SLES 1 -6.45018 -18.1292 -32.1817 HAL2 10803 0 0 0 9.000000e-0210807 10805 H42 SLES 1 -4.65713 -18.1451 -32.4036 HAL2 10803 0 0 0 9.000000e-0210808 10806 C5 SLES 1 -5.56987 -16.1143 -32.5812 CTL2 10803 10807 10808 10809 - 1.800000e-0110809 10807 H51 SLES 1 -6.51514 -15.6631 -32.9848 HAL2 10806 0 0 0 9.000000e-0210810 10808 H52 SLES 1 -4.74345 -15.6794 -33.2028 HAL2 10806 0 0 0 9.000000e-0210811 10809 C6 SLES 1 -5.39848 -15.5705 -31.2291 CTL2 10806 10810 10811 10812 - 1.800000e-0110812 10810 H61 SLES 1 -6.27272 -14.8868 -31.0525 HAL2 10809 0 0 0 9.000000e-0210813 10811 H62 SLES 1 -4.49605 -14.9033 -31.2708 HAL2 10809 0 0 0 9.000000e-0210814 10812 C7 SLES 1 -5.26658 -16.5839 -30.0858 CTL2 10809 10813 10814 10815 - 1.800000e-0110815 10813 H71 SLES 1 -6.16824 -17.2249 -29.9418 HAL2 10812 0 0 0 9.000000e-0210816 10814 H72 SLES 1 -4.36952 -17.2412 -30.1629 HAL2 10812 0 0 0 9.000000e-0210817 10815 C8 SLES 1 -5.11946 -15.6372 -28.9501 CTL2 10812 10816 10817 10818 - 1.800000e-0110818 10816 H81 SLES 1 -6.04566 -14.9967 -28.9493 HAL2 10815 0 0 0 9.000000e-0210819 10817 H82 SLES 1 -4.20847 -15.0131 -29.1761 HAL2 10815 0 0 0 9.000000e-0210820 10818 C9 SLES 1 -4.95276 -16.1457 -27.5607 CTL2 10815 10819 10820 10821 - 1.800000e-0110821 10819 H91 SLES 1 -5.83642 -16.7545 -27.2654 HAL2 10818 0 0 0 9.000000e-0210822 10820 H92 SLES 1 -4.03416 -16.7702 -27.4876 HAL2 10818 0 0 0 9.000000e-0210823 10821 C10 SLES 1 -4.84713 -14.8264 -26.7986 CTL2 10818 10822 10823 10824 - 1.800000e-0110824 10822 H10 SLES 1 -5.77058 -14.2103 -26.9716 HAL2 10821 0 0 0 9.000000e-0210825 10823 H10 SLES 1 -3.98182 -14.2264 -27.1919 HAL2 10821 0 0 0 9.000000e-0210826 10824 C11 SLES 1 -4.66624 -14.9611 -25.3215 CTL2 10821 10825 10826 10827 - 1.800000e-0110827 10825 H11 SLES 1 -5.53721 -15.5378 -24.9318 HAL2 10824 0 0 0 9.000000e-0210828 10826 H11 SLES 1 -3.73773 -15.5545 -25.1534 HAL2 10824 0 0 0 9.000000e-0210829 10827 C12 SLES 1 -4.57683 -13.5675 -24.6933 CTL3 10824 10828 10829 10830 - 2.700000e-0110830 10828 H12 SLES 1 -5.40701 -13.4209 -23.9754 HAL3 10827 0 0 0 9.000000e-0210831 10829 H12 SLES 1 -3.59479 -13.4368 -24.1983 HAL3 10827 0 0 0 9.000000e-0210832 10830 H12 SLES 1 -4.66261 -12.7515 -25.4523 HAL3 10827 0 0 0 9.000000e-0210833 10831 NA SLES 1 9.19953 -22.8161 -45.1749 NA 0 0 0 0 1 .000000e+0010834 10832 S SLES 1 6.38218 -21.7579 -44.8329 SL 10833 10834 10835 10836 1.33 0000e+0010835 10833 OS1 SLES 1 7.03982 -21.5071 -43.5391 OSL 10832 10837 0 0 - 2.800000e-0110836 10834 OS2 SLES 1 6.67565 -23.1707 -44.7403 O2L 10832 0 0 0 - 6.500000e-0110837 10835 OS3 SLES 1 7.37612 -20.9699 -45.5245 O2L 10832 0 0 0 - 6.500000e-0110838 10836 OS4 SLES 1 5.03153 -21.2859 -44.7112 O2L 10832 0 0 0 - 6.500000e-0110839 10837 C2 SLES 1 6.51187 -20.9006 -42.4279 CC32A 10833 10838 10839 10840 - 1.100000e-0110840 10838 H2A SLES 1 5.62063 -21.4685 -42.0508 HCA2 10837 0 0 0 9.000000e-0210841 10839 H2B SLES 1 6.21922 -19.8403 -42.6508 HCA2 10837 0 0 0 9.000000e-0210842 10840 C1 SLES 1 7.68977 -20.9694 -41.4322 CC32A 10837 10841 10842 10843 - 1.000000e-0210843 10841 H1B SLES 1 7.99336 -22.0317 -41.2433 HCA2 10840 0 0 0 9.000000e-0210844 10842 H1A SLES 1 8.57411 -20.4084 -41.8227 HCA2 10840 0 0 0 9.000000e-0210845 10843 O1 SLES 1 7.51858 -20.4425 -40.1566 OC30A 10840 10844 0 0 - 3.400000e-0110846 10844 C2 SLES 1 6.2579 -19.8862 -39.8308 CC32A 10843 10845 10846 10847 - 1.000000e-0210847 10845 H2A SLES 1 5.44677 -20.6627 -39.9338 HCA2 10844 0 0 0 9.000000e-0210848 10846 H2B SLES 1 6.01007 -19.0273 -40.4975 HCA2 10844 0 0 0 9.000000e-0210849 10847 C1 SLES 1 6.80246 -19.7243 -38.3652 CC32A 10844 10848 10849 10850 - 1.000000e-0210850 10848 H1B SLES 1 6.00995 -20.3857 -37.9908 HCA2 10847 0 0 0 9.000000e-0210851 10849 H1A SLES 1 6.67362 -18.6157 -38.6424 HCA2 10847 0 0 0 9.000000e-0210852 10850 O1 SLES 1 7.09072 -19.1398 -37.1213 OC30A 10847 10851 0 0 - 3.400000e-0110853 10851 C1 SLES 1 6.0109 -18.6202 -36.3585 CTL2 10850 10852 10853 10854 - 1.800000e-0110854 10852 H11 SLES 1 5.11183 -19.2897 -36.2547 HAL2 10851 0 0 0 9.000000e-0210855 10853 H12 SLES 1 5.65209 -17.6553 -36.7975 HAL2 10851 0 0 0 9.000000e-0210856 10854 C2 SLES 1 6.72801 -18.422 -35.0238 CTL2 10851 10855 10856 10857 - 1.800000e-0110857 10855 H21 SLES 1 7.04173 -19.3784 -34.5406 HAL2 10854 0 0 0 9.000000e-0210858 10856 H22 SLES 1 7.61407 -17.7455 -35.0985 HAL2 10854 0 0 0 9.000000e-0210859 10857 C3 SLES 1 5.69933 -17.7717 -34.19 CTL2 10854 10858 10859 10860 - 1.800000e-0110860 10858 H31 SLES 1 4.84601 -18.5028 -34.1627 HAL2 10857 0 0 0 9.000000e-0210861 10859 H32 SLES 1 5.43364 -16.8278 -34.7415 HAL2 10857 0 0 0 9.000000e-0210862 10860 C4 SLES 1 5.98132 -17.3785 -32.7762 CTL2 10857 10861 10862 10863 - 1.800000e-0110863 10861 H41 SLES 1 6.2524 -18.2662 -32.1531 HAL2 10860 0 0 0 9.000000e-0210864 10862 H42 SLES 1 6.82067 -16.6465 -32.717 HAL2 10860 0 0 0 9.000000e-0210865 10863 C5 SLES 1 4.60813 -16.7804 -32.4419 CTL2 10860 10864 10865 10866 - 1.800000e-0110866 10864 H51 SLES 1 3.79927 -17.5443 -32.5914 HAL2 10863 0 0 0 9.000000e-0210867 10865 H52 SLES 1 4.36161 -15.9439 -33.1475 HAL2 10863 0 0 0 9.000000e-0210868 10866 C6 SLES 1 4.42422 -16.2453 -31.088 CTL2 10863 10867 10868 10869 - 1.800000e-0110869 10867 H61 SLES 1 3.53643 -16.7822 -30.6561 HAL2 10866 0 0 0 9.000000e-0210870 10868 H62 SLES 1 4.10044 -15.1773 -31.2135 HAL2 10866 0 0 0 9.000000e-0210871 10869 C7 SLES 1 5.62425 -16.3361 -30.1376 CTL2 10866 10870 10871 10872 - 1.800000e-0110872 10870 H71 SLES 1 5.94381 -17.3803 -29.9092 HAL2 10869 0 0 0 9.000000e-0210873 10871 H72 SLES 1 6.51452 -15.7554 -30.4736 HAL2 10869 0 0 0 9.000000e-0210874 10872 C8 SLES 1 5.01859 -15.7071 -28.9355 CTL2 10869 10873 10874 10875 - 1.800000e-0110875 10873 H81 SLES 1 4.11939 -16.3309 -28.6703 HAL2 10872 0 0 0 9.000000e-0210876 10874 H82 SLES 1 4.70192 -14.6713 -29.2476 HAL2 10872 0 0 0 9.000000e-0210877 10875 C9 SLES 1 5.81165 -15.5507 -27.6851 CTL2 10872 10876 10877 10878 - 1.800000e-0110878 10876 H91 SLES 1 6.13669 -16.5465 -27.3089 HAL2 10875 0 0 0 9.000000e-0210879 10877 H92 SLES 1 6.70781 -14.9182 -27.8749 HAL2 10875 0 0 0 9.000000e-0210880 10878 C10 SLES 1 4.77611 -14.8756 -26.7883 CTL2 10875 10879 10880 10881 - 1.800000e-0110881 10879 H10 SLES 1 3.86683 -15.529 -26.6958 HAL2 10878 0 0 0 9.000000e-0210882 10880 H10 SLES 1 4.4342 -13.9131 -27.2574 HAL2 10878 0 0 0 9.000000e-0210883 10881 C11 SLES 1 5.24582 -14.5597 -25.4055 CTL2 10878 10882 10883 10884 - 1.800000e-0110884 10882 H11 SLES 1 5.56366 -15.5195 -24.9356 HAL2 10881 0 0 0 9.000000e-0210885 10883 H11 SLES 1 6.13486 -13.8941 -25.5007 HAL2 10881 0 0 0 9.000000e-0210886 10884 C12 SLES 1 4.11042 -13.8905 -24.6257 CTL3 10881 10885 10886 10887 - 2.700000e-0110887 10885 H12 SLES 1 3.83754 -14.508 -23.748 HAL3 10884 0 0 0 9.000000e-0210888 10886 H12 SLES 1 4.41199 -12.8707 -24.3167 HAL3 10884 0 0 0 9.000000e-0210889 10887 H12 SLES 1 3.1821 -13.777 -25.2378 HAL3 10884 0 0 0 9.000000e-0210890 10888 NA SLES 1 20.1552 -12.0898 -45.643 NA 0 0 0 0 1 .000000e+0010891 10889 S SLES 1 18.2264 -14.2058 -44.6546 SL 10890 10891 10892 10893 1.33 0000e+0010892 10890 OS1 SLES 1 18.317 -13.2327 -43.5528 OSL 10889 10894 0 0 - 2.800000e-0110893 10891 OS2 SLES 1 19.6569 -14.4141 -44.6261 O2L 10889 0 0 0 - 6.500000e-0110894 10892 OS3 SLES 1 17.7751 -13.1783 -45.5645 O2L 10889 0 0 0 - 6.500000e-0110895 10893 OS4 SLES 1 17.3315 -15.242 -44.2217 O2L 10889 0 0 0 - 6.500000e-0110896 10894 C2 SLES 1 17.6547 -13.2539 -42.3519 CC32A 10890 10895 10896 10897 - 1.100000e-0110897 10895 H2A SLES 1 17.9105 -14.1804 -41.7731 HCA2 10894 0 0 0 9.000000e-0210898 10896 H2B SLES 1 16.5444 -13.1974 -42.5055 HCA2 10894 0 0 0 9.000000e-0210899 10897 C1 SLES 1 18.1995 -11.9857 -41.6603 CC32A 10894 10898 10899 10900 - 1.000000e-0210900 10898 H1B SLES 1 19.3128 -12.0404 -41.5423 HCA2 10897 0 0 0 9.000000e-0210901 10899 H1A SLES 1 17.9467 -11.0708 -42.2505 HCA2 10897 0 0 0 9.000000e-0210902 10900 O1 SLES 1 17.7465 -11.6737 -40.3829 OC30A 10897 10901 0 0 - 3.400000e-0110903 10901 C2 SLES 1 16.8194 -12.5532 -39.7733 CC32A 10900 10902 10903 10904 - 1.000000e-0210904 10902 H2A SLES 1 17.2608 -13.5865 -39.6787 HCA2 10901 0 0 0 9.000000e-0210905 10903 H2B SLES 1 15.8786 -12.6251 -40.3676 HCA2 10901 0 0 0 9.000000e-0210906 10904 C1 SLES 1 16.9679 -11.6761 -38.4773 CC32A 10901 10905 10906 10907 - 1.000000e-0210907 10905 H1B SLES 1 17.3449 -12.5462 -37.9238 HCA2 10904 0 0 0 9.000000e-0210908 10906 H1A SLES 1 15.8642 -11.4657 -38.7223 HCA2 10904 0 0 0 9.000000e-0210909 10907 O1 SLES 1 16.6157 -10.933 -37.339 OC30A 10904 10908 0 0 - 3.400000e-0110910 10908 C1 SLES 1 15.8188 -11.5639 -36.3467 CTL2 10907 10909 10910 10911 - 1.800000e-0110911 10909 H11 SLES 1 16.1459 -12.5938 -36.0312 HAL2 10908 0 0 0 9.000000e-0210912 10910 H12 SLES 1 14.7584 -11.6491 -36.6943 HAL2 10908 0 0 0 9.000000e-0210913 10911 C2 SLES 1 15.9822 -10.5461 -35.2188 CTL2 10908 10912 10913 10914 - 1.800000e-0110914 10912 H21 SLES 1 17.0226 -10.4893 -34.8177 HAL2 10911 0 0 0 9.000000e-0210915 10913 H22 SLES 1 15.6462 -9.51914 -35.503 HAL2 10911 0 0 0 9.000000e-0210916 10914 C3 SLES 1 15.0858 -11.0689 -34.1702 CTL2 10911 10915 10916 10917 - 1.800000e-0110917 10915 H31 SLES 1 15.4804 -12.0958 -33.9395 HAL2 10914 0 0 0 9.000000e-0210918 10916 H32 SLES 1 14.0682 -11.1016 -34.6489 HAL2 10914 0 0 0 9.000000e-0210919 10917 C4 SLES 1 14.9239 -10.361 -32.8642 CTL2 10914 10918 10919 10920 - 1.800000e-0110920 10918 H41 SLES 1 15.8963 -10.2878 -32.3175 HAL2 10917 0 0 0 9.000000e-0210921 10919 H42 SLES 1 14.5303 -9.32737 -33.0077 HAL2 10917 0 0 0 9.000000e-0210922 10920 C5 SLES 1 13.9197 -11.3263 -32.22 CTL2 10917 10921 10922 10923 - 1.800000e-0110923 10921 H51 SLES 1 14.3465 -12.3634 -32.1714 HAL2 10920 0 0 0 9.000000e-0210924 10922 H52 SLES 1 12.9973 -11.4134 -32.8524 HAL2 10920 0 0 0 9.000000e-0210925 10923 C6 SLES 1 13.4608 -11.0057 -30.8636 CTL2 10920 10924 10925 10926 - 1.800000e-0110926 10924 H61 SLES 1 13.693 -11.9061 -30.2325 HAL2 10923 0 0 0 9.000000e-0210927 10925 H62 SLES 1 12.3401 -10.9533 -30.9153 HAL2 10923 0 0 0 9.000000e-0210928 10926 C7 SLES 1 14.0303 -9.73514 -30.2211 CTL2 10923 10927 10928 10929 - 1.800000e-0110929 10927 H71 SLES 1 15.1351 -9.76025 -30.0687 HAL2 10926 0 0 0 9.000000e-0210930 10928 H72 SLES 1 13.7652 -8.79587 -30.7598 HAL2 10926 0 0 0 9.000000e-0210931 10929 C8 SLES 1 13.3272 -9.79892 -28.9138 CTL2 10926 10930 10931 10932 - 1.800000e-0110932 10930 H81 SLES 1 13.6241 -10.7771 -28.4415 HAL2 10929 0 0 0 9.000000e-0210933 10931 H82 SLES 1 12.2247 -9.7927 -29.1482 HAL2 10929 0 0 0 9.000000e-0210934 10932 C9 SLES 1 13.5493 -8.7454 -27.8854 CTL2 10929 10933 10934 10935 - 1.800000e-0110935 10933 H91 SLES 1 14.6222 -8.71574 -27.5908 HAL2 10932 0 0 0 9.000000e-0210936 10934 H92 SLES 1 13.2491 -7.75017 -28.2836 HAL2 10932 0 0 0 9.000000e-0210937 10935 C10 SLES 1 12.6322 -9.25175 -26.7741 CTL2 10932 10936 10937 10938 - 1.800000e-0110938 10936 H10 SLES 1 12.9399 -10.2878 -26.4673 HAL2 10935 0 0 0 9.000000e-0210939 10937 H10 SLES 1 11.5775 -9.32902 -27.1549 HAL2 10935 0 0 0 9.000000e-0210940 10938 C11 SLES 1 12.6045 -8.40704 -25.5419 CTL2 10935 10939 10940 10941 - 1.800000e-0110941 10939 H11 SLES 1 13.6485 -8.35055 -25.1547 HAL2 10938 0 0 0 9.000000e-0210942 10940 H11 SLES 1 12.2781 -7.38571 -25.8467 HAL2 10938 0 0 0 9.000000e-0210943 10941 C12 SLES 1 11.6498 -9.03232 -24.5209 CTL3 10938 10942 10943 10944 - 2.700000e-0110944 10942 H12 SLES 1 12.2026 -9.30272 -23.6004 HAL3 10941 0 0 0 9.000000e-0210945 10943 H12 SLES 1 10.822 -8.33156 -24.2968 HAL3 10941 0 0 0 9.000000e-0210946 10944 H12 SLES 1 11.1781 -9.97272 -24.8986 HAL3 10941 0 0 0 9.000000e-0210947 10945 NA SLES 1 6.75885 1.64418 -49.9298 NA 0 0 0 0 1 .000000e+0010948 10946 S SLES 1 8.35083 -0.607557 -48.677 SL 10947 10948 10949 10950 1.33 0000e+0010949 10947 OS1 SLES 1 7.67191 0.0495181 -47.5471 OSL 10946 10951 0 0 - 2.800000e-0110950 10948 OS2 SLES 1 8.97663 0.637759 -49.0619 O2L 10946 0 0 0 - 6.500000e-0110951 10949 OS3 SLES 1 7.08492 -0.880562 -49.3175 O2L 10946 0 0 0 - 6.500000e-0110952 10950 OS4 SLES 1 9.13563 -1.67631 -48.1259 O2L 10946 0 0 0 - 6.500000e-0110953 10951 C2 SLES 1 7.71854 -0.293442 -46.2199 CC32A 10947 10952 10953 10954 - 1.100000e-0110954 10952 H2A SLES 1 8.77009 -0.239842 -45.8322 HCA2 10951 0 0 0 9.000000e-0210955 10953 H2B SLES 1 7.30687 -1.32482 -46.0576 HCA2 10951 0 0 0 9.000000e-0210956 10954 C1 SLES 1 6.82192 0.785828 -45.5759 CC32A 10951 10955 10956 10957 - 1.000000e-0210957 10955 H1B SLES 1 7.22625 1.81251 -45.7728 HCA2 10954 0 0 0 9.000000e-0210958 10956 H1A SLES 1 5.78007 0.728524 -45.9765 HCA2 10954 0 0 0 9.000000e-0210959 10957 O1 SLES 1 6.63316 0.763312 -44.1982 OC30A 10954 10958 0 0 - 3.400000e-0110960 10958 C2 SLES 1 7.29464 -0.242648 -43.453 CC32A 10957 10959 10960 10961 - 1.000000e-0210961 10959 H2A SLES 1 8.41108 -0.164001 -43.5902 HCA2 10958 0 0 0 9.000000e-0210962 10960 H2B SLES 1 6.97133 -1.26114 -43.7719 HCA2 10958 0 0 0 9.000000e-0210963 10961 C1 SLES 1 6.75895 0.478817 -42.1633 CC32A 10958 10962 10963 10964 - 1.000000e-0210964 10962 H1B SLES 1 7.78902 0.65649 -41.8271 HCA2 10961 0 0 0 9.000000e-0210965 10963 H1A SLES 1 6.18805 -0.515444 -42.0744 HCA2 10961 0 0 0 9.000000e-0210966 10964 O1 SLES 1 6.1705 0.661847 -40.9014 OC30A 10961 10965 0 0 - 3.400000e-0110967 10965 C1 SLES 1 6.70925 -0.0556061 -39.8001 CTL2 10964 10966 10967 10968 - 1.800000e-0110968 10966 H11 SLES 1 7.82974 -0.0306716 -39.6944 HAL2 10965 0 0 0 9.000000e-0210969 10967 H12 SLES 1 6.40883 -1.13244 -39.8517 HAL2 10965 0 0 0 9.000000e-0210970 10968 C2 SLES 1 6.01496 0.688909 -38.6606 CTL2 10965 10969 10970 10971 - 1.800000e-0110971 10969 H21 SLES 1 6.34589 1.75006 -38.5553 HAL2 10968 0 0 0 9.000000e-0210972 10970 H22 SLES 1 4.90043 0.661981 -38.7343 HAL2 10968 0 0 0 9.000000e-0210973 10971 C3 SLES 1 6.43339 -0.0705721 -37.4671 CTL2 10968 10972 10973 10974 - 1.800000e-0110974 10972 H31 SLES 1 7.55528 -0.00200562 -37.4606 HAL2 10971 0 0 0 9.000000e-0210975 10973 H32 SLES 1 6.07215 -1.1202 -37.6503 HAL2 10971 0 0 0 9.000000e-0210976 10974 C4 SLES 1 5.96571 0.312422 -36.1005 CTL2 10971 10975 10976 10977 - 1.800000e-0110977 10975 H41 SLES 1 6.28821 1.34952 -35.8356 HAL2 10974 0 0 0 9.000000e-0210978 10976 H42 SLES 1 4.85404 0.266707 -36.0231 HAL2 10974 0 0 0 9.000000e-0210979 10977 C5 SLES 1 6.69103 -0.785032 -35.3102 CTL2 10974 10978 10979 10980 - 1.800000e-0110980 10978 H51 SLES 1 7.79812 -0.731426 -35.4876 HAL2 10977 0 0 0 9.000000e-0210981 10979 H52 SLES 1 6.3804 -1.8004 -35.672 HAL2 10977 0 0 0 9.000000e-0210982 10980 C6 SLES 1 6.5071 -0.792326 -33.8543 CTL2 10977 10981 10982 10983 - 1.800000e-0110983 10981 H61 SLES 1 7.53688 -0.739757 -33.4075 HAL2 10980 0 0 0 9.000000e-0210984 10982 H62 SLES 1 6.11509 -1.81162 -33.5923 HAL2 10980 0 0 0 9.000000e-0210985 10983 C7 SLES 1 5.60646 0.29928 -33.2638 CTL2 10980 10984 10985 10986 - 1.800000e-0110986 10984 H71 SLES 1 5.98696 1.33595 -33.4223 HAL2 10983 0 0 0 9.000000e-0210987 10985 H72 SLES 1 4.54771 0.250531 -33.6093 HAL2 10983 0 0 0 9.000000e-0210988 10986 C8 SLES 1 5.70073 -0.0712677 -31.828 CTL2 10983 10987 10988 10989 - 1.800000e-0110989 10987 H81 SLES 1 6.79305 -0.0213796 -31.5588 HAL2 10986 0 0 0 9.000000e-0210990 10988 H82 SLES 1 5.32335 -1.13052 -31.7505 HAL2 10986 0 0 0 9.000000e-0210991 10989 C9 SLES 1 4.97192 0.716524 -30.796 CTL2 10986 10990 10991 10992 - 1.800000e-0110992 10990 H91 SLES 1 5.31811 1.77424 -30.8042 HAL2 10989 0 0 0 9.000000e-0210993 10991 H92 SLES 1 3.8765 0.685989 -30.9918 HAL2 10989 0 0 0 9.000000e-0210994 10992 C10 SLES 1 5.38043 -0.0423176 -29.5351 CTL2 10989 10993 10994 10995 - 1.800000e-0110995 10993 H10 SLES 1 6.49928 -0.0391775 -29.4331 HAL2 10992 0 0 0 9.000000e-0210996 10994 H10 SLES 1 5.06815 -1.11881 -29.6193 HAL2 10992 0 0 0 9.000000e-0210997 10995 C11 SLES 1 4.81082 0.492708 -28.2616 CTL2 10992 10996 10997 10998 - 1.800000e-0110998 10996 H11 SLES 1 5.14056 1.55386 -28.1706 HAL2 10995 0 0 0 9.000000e-0210999 10997 H11 SLES 1 3.70062 0.468091 -28.3582 HAL2 10995 0 0 0 9.000000e-0211000 10998 C12 SLES 1 5.30269 -0.360704 -27.0892 CTL3 10995 10999 11000 11001 - 2.700000e-0111001 10999 H12 SLES 1 5.89185 0.261463 -26.3878 HAL3 10998 0 0 0 9.000000e-0211002 11000 H12 SLES 1 4.44211 -0.832578 -26.5761 HAL3 10998 0 0 0 9.000000e-0211003 11001 H12 SLES 1 5.97263 -1.19245 -27.419 HAL3 10998 0 0 0 9.000000e-0211004 11002 NA SLES 1 -1.95358 7.19624 -49.8705 NA 0 0 0 0 1 .000000e+0011005 11003 S SLES 1 -4.70247 6.68869 -48.7042 SL 11004 11005 11006 11007 1.33 0000e+0011006 11004 OS1 SLES 1 -3.79302 6.68099 -47.5457 OSL 11003 11008 0 0 - 2.800000e-0111007 11005 OS2 SLES 1 -3.94517 5.6347 -49.3416 O2L 11003 0 0 0 - 6.500000e-0111008 11006 OS3 SLES 1 -4.29634 8.03091 -49.0518 O2L 11003 0 0 0 - 6.500000e-0111009 11007 OS4 SLES 1 -6.02193 6.43303 -48.1987 O2L 11003 0 0 0 - 6.500000e-0111010 11008 C2 SLES 1 -4.11349 6.51297 -46.2227 CC32A 11004 11009 11010 11011 - 1.100000e-0111011 11009 H2A SLES 1 -4.60006 5.51593 -46.0551 HCA2 11008 0 0 0 9.000000e-0211012 11010 H2B SLES 1 -4.79455 7.33147 -45.8681 HCA2 11008 0 0 0 9.000000e-0211013 11011 C1 SLES 1 -2.72934 6.58891 -45.5431 CC32A 11008 11012 11013 11014 - 1.000000e-0211014 11012 H1B SLES 1 -2.04858 5.78668 -45.9295 HCA2 11011 0 0 0 9.000000e-0211015 11013 H1A SLES 1 -2.25087 7.58253 -45.7247 HCA2 11011 0 0 0 9.000000e-0211016 11014 O1 SLES 1 -2.65433 6.44916 -44.1614 OC30A 11011 11015 0 0 - 3.400000e-0111017 11015 C2 SLES 1 -3.85736 6.22252 -43.45 CC32A 11014 11016 11017 11018 - 1.000000e-0211018 11016 H2A SLES 1 -4.35475 5.2765 -43.8093 HCA2 11015 0 0 0 9.000000e-0211019 11017 H2B SLES 1 -4.57165 7.06851 -43.5829 HCA2 11015 0 0 0 9.000000e-0211020 11018 C1 SLES 1 -2.96505 6.02679 -42.1708 CC32A 11015 11019 11020 11021 - 1.000000e-0211021 11019 H1B SLES 1 -3.33371 4.99812 -42.0632 HCA2 11018 0 0 0 9.000000e-0211022 11020 H1A SLES 1 -3.53342 6.97724 -41.861 HCA2 11018 0 0 0 9.000000e-0211023 11021 O1 SLES 1 -2.51031 6.14743 -40.8477 OC30A 11018 11022 0 0 - 3.400000e-0111024 11022 C1 SLES 1 -3.40271 5.8015 -39.798 CTL2 11021 11023 11024 11025 - 1.800000e-0111025 11023 H11 SLES 1 -3.94867 4.82404 -39.9153 HAL2 11022 0 0 0 9.000000e-0211026 11024 H12 SLES 1 -4.17912 6.59701 -39.6682 HAL2 11022 0 0 0 9.000000e-0211027 11025 C2 SLES 1 -2.41009 5.76138 -38.6369 CTL2 11022 11026 11027 11028 - 1.800000e-0111028 11026 H21 SLES 1 -1.6627 4.93593 -38.7185 HAL2 11025 0 0 0 9.000000e-0211029 11027 H22 SLES 1 -1.8689 6.72765 -38.4894 HAL2 11025 0 0 0 9.000000e-0211030 11028 C3 SLES 1 -3.27788 5.51661 -37.4693 CTL2 11025 11029 11030 11031 - 1.800000e-0111031 11029 H31 SLES 1 -3.78684 4.53871 -37.6885 HAL2 11028 0 0 0 9.000000e-0211032 11030 H32 SLES 1 -3.99993 6.37935 -37.4591 HAL2 11028 0 0 0 9.000000e-0211033 11031 C4 SLES 1 -2.71195 5.41353 -36.0901 CTL2 11028 11032 11033 11034 - 1.800000e-0111034 11032 H41 SLES 1 -1.98116 4.57117 -36.0118 HAL2 11031 0 0 0 9.000000e-0211035 11033 H42 SLES 1 -2.18853 6.35272 -35.7938 HAL2 11031 0 0 0 9.000000e-0211036 11034 C5 SLES 1 -4.02624 5.16828 -35.3368 CTL2 11031 11035 11036 11037 - 1.800000e-0111037 11035 H51 SLES 1 -4.54046 4.25152 -35.7306 HAL2 11034 0 0 0 9.000000e-0211038 11036 H52 SLES 1 -4.74422 6.01172 -35.5143 HAL2 11034 0 0 0 9.000000e-0211039 11037 C6 SLES 1 -3.94062 4.99939 -33.8816 CTL2 11034 11038 11039 11040 - 1.800000e-0111040 11038 H61 SLES 1 -4.4171 4.00787 -33.652 HAL2 11037 0 0 0 9.000000e-0211041 11039 H62 SLES 1 -4.6213 5.77299 -33.4349 HAL2 11037 0 0 0 9.000000e-0211042 11040 C7 SLES 1 -2.54375 5.08464 -33.2547 CTL2 11037 11041 11042 11043 - 1.800000e-0111043 11041 H71 SLES 1 -1.84235 4.28888 -33.6002 HAL2 11040 0 0 0 9.000000e-0211044 11042 H72 SLES 1 -2.04938 6.07587 -33.3803 HAL2 11040 0 0 0 9.000000e-0211045 11043 C8 SLES 1 -2.91222 4.86583 -31.8321 CTL2 11040 11044 11045 11046 - 1.800000e-0111046 11044 H81 SLES 1 -3.42253 3.86298 -31.7874 HAL2 11043 0 0 0 9.000000e-0211047 11045 H82 SLES 1 -3.6346 5.68832 -31.5635 HAL2 11043 0 0 0 9.000000e-0211048 11046 C9 SLES 1 -1.86471 4.85752 -30.774 CTL2 11043 11047 11048 11049 - 1.800000e-0111049 11047 H91 SLES 1 -1.12791 4.04641 -30.9687 HAL2 11046 0 0 0 9.000000e-0211050 11048 H92 SLES 1 -1.3362 5.83692 -30.7487 HAL2 11046 0 0 0 9.000000e-0211051 11049 C10 SLES 1 -2.72699 4.60561 -29.5389 CTL2 11046 11050 11051 11052 - 1.800000e-0111052 11050 H10 SLES 1 -3.29091 3.64109 -29.657 HAL2 11049 0 0 0 9.000000e-0211053 11051 H10 SLES 1 -3.49707 5.41824 -29.4386 HAL2 11049 0 0 0 9.000000e-0211054 11052 C11 SLES 1 -1.97826 4.53404 -28.2478 CTL2 11049 11053 11054 11055 - 1.800000e-0111055 11053 H11 SLES 1 -1.23025 3.71279 -28.3431 HAL2 11052 0 0 0 9.000000e-0211056 11054 H11 SLES 1 -1.43724 5.50067 -28.1236 HAL2 11052 0 0 0 9.000000e-0211057 11055 C12 SLES 1 -2.96422 4.27865 -27.1043 CTL3 11052 11056 11057 11058 - 2.700000e-0111058 11056 H12 SLES 1 -2.72663 3.31901 -26.6056 HAL3 11055 0 0 0 9.000000e-0211059 11057 H12 SLES 1 -2.93579 5.11937 -26.384 HAL3 11055 0 0 0 9.000000e-0211060 11058 H12 SLES 1 -4.02041 4.20039 -27.4617 HAL3 11055 0 0 0 9.000000e-023 1 NA SLES 1 -4.78921 -8.81932 -49.4988 NA 0 0 0 0 1 4 2 S SLES 1 -3.65465 -6.08892 -48.8416 SL 3 4 5 6 1.33 5 3 OS1 SLES 1 -3.87843 -6.72987 -47.5345 OSL 2 7 0 0 -0.28 6 4 OS2 SLES 1 -5.04507 -6.26428 -49.1974 O2L 2 0 0 0 -0.65 7 5 OS3 SLES 1 -2.77769 -7.16165 -49.2508 O2L 2 0 0 0 -0.65 8 6 OS4 SLES 1 -3.13089 -4.77823 -48.5777 O2L 2 0 0 0 -0.65 9 7 C2 SLES 1 -3.60741 -6.22329 -46.2891 CC32A 3 8 9 10 -0.11 10 8 H2A SLES 1 -4.18642 -5.27916 -46.1094 HCA2 7 0 0 0 0.09 11 9 H2B SLES 1 -2.50971 -6.02365 -46.1676 HCA2 7 0 0 0 0.09 12 10 C1 SLES 1 -4.08461 -7.36466 -45.3654 CC32A 7 11 12 13 -0.01 13 11 H1B SLES 1 -5.17451 -7.57593 -45.5198 HCA2 10 0 0 0 0.09 14 12 H1A SLES 1 -3.50731 -8.30171 -45.56 HCA2 10 0 0 0 0.09 15 13 O1 SLES 1 -3.97077 -7.20268 -43.9889 OC30A 10 14 0 0 -0.34 16 14 C2 SLES 1 -3.43888 -5.98299 -43.5048 CC32A 13 15 16 17 -0.01 17 15 H2A SLES 1 -4.07191 -5.11461 -43.8464 HCA2 14 0 0 0 0.09 18 16 H2B SLES 1 -2.39664 -5.82356 -43.868 HCA2 14 0 0 0 0.09 19 17 C1 SLES 1 -3.79084 -6.49946 -42.0625 CC32A 14 18 19 20 -0.01 20 18 H1B SLES 1 -4.46592 -5.64619 -41.9148 HCA2 17 0 0 0 0.09 21 19 H1A SLES 1 -2.64446 -6.46841 -41.9775 HCA2 17 0 0 0 0.09 22 20 O1 SLES 1 -3.65176 -6.80078 -40.698 OC30A 17 21 0 0 -0.34 23 21 C1 SLES 1 -3.30681 -5.74661 -39.8105 CTL2 20 22 23 24 -0.18 24 22 H11 SLES 1 -3.89577 -4.79376 -39.9222 HAL2 21 0 0 0 0.09 25 23 H12 SLES 1 -2.22607 -5.47911 -39.9242 HAL2 21 0 0 0 0.09 26 24 C2 SLES 1 -3.59821 -6.44145 -38.4812 CTL2 21 25 26 27 -0.18 27 25 H21 SLES 1 -4.68093 -6.66353 -38.3229 HAL2 24 0 0 0 0.09 28 26 H22 SLES 1 -3.01058 -7.38114 -38.3397 HAL2 24 0 0 0 0.09 29 27 C3 SLES 1 -3.15617 -5.44694 -37.4853 CTL2 24 28 29 30 -0.18 30 28 H31 SLES 1 -3.78339 -4.53673 -37.689 HAL2 27 0 0 0 0.09 31 29 H32 SLES 1 -2.06799 -5.27353 -37.7124 HAL2 27 0 0 0 0.09 32 30 C4 SLES 1 -3.25076 -5.72194 -36.0195 CTL2 27 31 32 33 -0.18 33 31 H41 SLES 1 -4.3086 -5.90337 -35.7068 HAL2 30 0 0 0 0.09 34 32 H42 SLES 1 -2.6485 -6.61601 -35.7335 HAL2 30 0 0 0 0.09 35 33 C5 SLES 1 -2.67234 -4.39332 -35.5142 CTL2 30 34 35 36 -0.18 36 34 H51 SLES 1 -3.27901 -3.52948 -35.896 HAL2 33 0 0 0 0.09 37 35 H52 SLES 1 -1.63918 -4.23443 -35.9213 HAL2 33 0 0 0 0.09 38 36 C6 SLES 1 -2.57414 -4.21724 -34.0607 CTL2 33 37 38 39 -0.18 39 37 H61 SLES 1 -3.14128 -3.2776 -33.8193 HAL2 36 0 0 0 0.09 40 38 H62 SLES 1 -1.4969 -3.98462 -33.8445 HAL2 36 0 0 0 0.09 41 39 C7 SLES 1 -3.0599 -5.38008 -33.187 CTL2 36 40 41 42 -0.18 42 40 H71 SLES 1 -4.14638 -5.60769 -33.2982 HAL2 39 0 0 0 0.09 43 41 H72 SLES 1 -2.48146 -6.32319 -33.3237 HAL2 39 0 0 0 0.09 44 42 C8 SLES 1 -2.78931 -4.79548 -31.8482 CTL2 39 43 44 45 -0.18 45 43 H81 SLES 1 -3.38566 -3.84187 -31.7922 HAL2 42 0 0 0 0.09 46 44 H82 SLES 1 -1.68487 -4.57231 -31.8191 HAL2 42 0 0 0 0.09 47 45 C9 SLES 1 -3.10046 -5.56485 -30.612 CTL2 42 46 47 48 -0.18 48 46 H91 SLES 1 -4.18784 -5.79788 -30.5676 HAL2 45 0 0 0 0.09 49 47 H92 SLES 1 -2.51928 -6.5141 -30.5936 HAL2 45 0 0 0 0.09 50 48 C10 SLES 1 -2.654 -4.56383 -29.5484 CTL2 45 49 50 51 -0.18 51 49 H10 SLES 1 -3.22334 -3.60241 -29.6658 HAL2 48 0 0 0 0.09 52 50 H10 SLES 1 -1.56752 -4.31378 -29.6915 HAL2 48 0 0 0 0.09 53 51 C11 SLES 1 -2.828 -5.02043 -28.1364 CTL2 48 52 53 54 -0.18 54 52 H11 SLES 1 -3.9101 -5.2467 -27.9918 HAL2 51 0 0 0 0.09 55 53 H11 SLES 1 -2.24453 -5.96275 -28.0178 HAL2 51 0 0 0 0.09 56 54 C12 SLES 1 -2.34213 -3.92257 -27.1859 CTL3 51 55 56 57 -0.27 57 55 H12 SLES 1 -3.17756 -3.57712 -26.5465 HAL3 54 0 0 0 0.09 58 56 H12 SLES 1 -1.49989 -4.29747 -26.5722 HAL3 54 0 0 0 0.09 59 57 H12 SLES 1 -1.96386 -3.02324 -27.7313 HAL3 54 0 0 0 0.09 60 58 NA SLES 1 9.24123 1.64418 71.603 NA 0 0 0 0 1 61 59 S SLES 1 7.37925 -0.607557 70.8049 SL 60 61 62 63 1.33 62 60 OS1 SLES 1 7.74261 0.0495181 69.5378 OSL 59 64 0 0 -0.28 63 61 OS2 SLES 1 6.87441 0.637759 71.3387 O2L 59 0 0 0 -0.65 64 62 OS3 SLES 1 8.7678 -0.880562 71.0959 O2L 59 0 0 0 -0.65 65 63 OS4 SLES 1 6.47856 -1.67631 70.4757 O2L 59 0 0 0 -0.65 66 64 C2 SLES 1 7.35407 -0.293442 68.2679 CC32A 60 65 66 67 -0.11 67 65 H2A SLES 1 6.23801 -0.239842 68.1656 HCA2 64 0 0 0 0.09 68 66 H2B SLES 1 7.70972 -1.32482 68.0046 HCA2 64 0 0 0 0.09 69 67 C1 SLES 1 8.05344 0.785828 67.4137 CC32A 64 68 69 70 -0.01 70 68 H1B SLES 1 7.71386 1.81251 67.7086 HCA2 67 0 0 0 0.09 71 69 H1A SLES 1 9.16347 0.728524 67.531 HCA2 67 0 0 0 0.09 72 70 O1 SLES 1 7.8792 0.763312 66.0341 OC30A 67 71 0 0 -0.34 73 71 C2 SLES 1 7.04739 -0.242648 65.4855 CC32A 70 72 73 74 -0.01 74 72 H2A SLES 1 6.0045 -0.164001 65.907 HCA2 71 0 0 0 0.09 75 73 H2B SLES 1 7.44223 -1.26114 65.7099 HCA2 71 0 0 0 0.09 76 74 C1 SLES 1 7.23102 0.478817 64.1011 CC32A 71 75 76 77 -0.01 77 75 H1B SLES 1 6.14904 0.65649 64.043 HCA2 74 0 0 0 0.09 78 76 H1A SLES 1 7.75946 -0.515444 63.8675 HCA2 74 0 0 0 0.09 79 77 O1 SLES 1 7.47284 0.661847 62.73 OC30A 74 78 0 0 -0.34 80 78 C1 SLES 1 6.6674 -0.0556061 61.8056 CTL2 77 79 80 81 -0.18 81 79 H11 SLES 1 5.55774 -0.0306716 61.9935 HAL2 78 0 0 0 0.09 82 80 H12 SLES 1 6.97094 -1.13244 61.7777 HAL2 78 0 0 0 0.09 83 81 C2 SLES 1 7.04309 0.688909 60.5252 CTL2 78 82 83 84 -0.18 84 82 H21 SLES 1 6.69619 1.75006 60.5092 HAL2 81 0 0 0 0.09 85 83 H22 SLES 1 8.13873 0.661981 60.308 HAL2 81 0 0 0 0.09 86 84 C3 SLES 1 6.33003 -0.0705721 59.4807 CTL2 81 85 86 87 -0.18 87 85 H31 SLES 1 5.24469 -0.00200562 59.7648 HAL2 84 0 0 0 0.09 88 86 H32 SLES 1 6.72639 -1.1202 59.5642 HAL2 84 0 0 0 0.09 89 87 C4 SLES 1 6.42807 0.312422 58.0396 CTL2 84 88 89 90 -0.18 90 88 H41 SLES 1 6.048 1.34952 57.8672 HAL2 87 0 0 0 0.09 91 89 H42 SLES 1 7.48183 0.266707 57.6771 HAL2 87 0 0 0 0.09 92 90 C5 SLES 1 5.52291 -0.785032 57.4639 CTL2 87 91 92 93 -0.18 93 91 H51 SLES 1 4.49947 -0.731426 57.9219 HAL2 90 0 0 0 0.09 94 92 H52 SLES 1 5.91662 -1.8004 57.7331 HAL2 90 0 0 0 0.09 95 93 C6 SLES 1 5.32378 -0.792326 56.0101 CTL2 90 94 95 96 -0.18 96 94 H61 SLES 1 4.21344 -0.739757 55.845 HAL2 93 0 0 0 0.09 97 95 H62 SLES 1 5.6346 -1.81162 55.6555 HAL2 93 0 0 0 0.09 98 96 C7 SLES 1 6.04087 0.29928 55.2066 CTL2 93 97 98 99 -0.18 99 97 H71 SLES 1 5.71438 1.33595 55.4582 HAL2 96 0 0 0 0.09 100 98 H72 SLES 1 7.15298 0.250531 55.2663 HAL2 96 0 0 0 0.09 101 99 C8 SLES 1 5.57822 -0.0712677 53.8441 CTL2 96 100 101 102 -0.18 102 100 H81 SLES 1 4.45344 -0.0213796 53.8668 HAL2 99 0 0 0 0.09 103 101 H82 SLES 1 5.92269 -1.13052 53.6716 HAL2 99 0 0 0 0.09 104 102 C9 SLES 1 6.0151 0.716524 52.6587 CTL2 99 103 104 105 -0.18 105 103 H91 SLES 1 5.68281 1.77424 52.7562 HAL2 102 0 0 0 0.09 106 104 H92 SLES 1 7.12386 0.685989 52.5642 HAL2 102 0 0 0 0.09 107 105 C10 SLES 1 5.29416 -0.0423176 51.5465 CTL2 102 106 107 108 -0.18 108 106 H10 SLES 1 4.18703 -0.0391775 51.7375 HAL2 105 0 0 0 0.09 109 107 H10 SLES 1 5.6176 -1.11881 51.547 HAL2 105 0 0 0 0.09 110 108 C11 SLES 1 5.51476 0.492708 50.1689 CTL2 105 109 110 111 -0.18 111 109 H11 SLES 1 5.17269 1.55386 50.1664 HAL2 108 0 0 0 0.09 112 110 H11 SLES 1 6.61213 0.468091 49.9749 HAL2 108 0 0 0 0.09 113 111 C12 SLES 1 4.7362 -0.360704 49.1637 CTL3 108 112 113 114 -0.27 114 112 H12 SLES 1 3.98559 0.261463 48.6388 HAL3 111 0 0 0 0.09 115 113 H12 SLES 1 5.43467 -0.832578 48.4455 HAL3 111 0 0 0 0.09 116 114 H12 SLES 1 4.17444 -1.19245 49.6557 HAL3 111 0 0 0 0.09 117 115 NA SLES 1 -2.74471 8.56651 71.6622 NA 0 0 0 0 1 118 116 S SLES 1 -4.4237 6.20585 70.7776 SL 117 118 119 120 1.33 119 117 OS1 SLES 1 -3.81787 6.72401 69.5392 OSL 116 121 0 0 -0.28 120 118 OS2 SLES 1 -5.01831 7.49344 71.059 O2L 116 0 0 0 -0.65 121 119 OS3 SLES 1 -3.11956 5.99266 71.3616 O2L 116 0 0 0 -0.65 122 120 OS4 SLES 1 -5.24689 5.09062 70.4028 O2L 116 0 0 0 -0.65 123 121 C2 SLES 1 -3.95266 6.23439 68.2651 CC32A 117 122 123 124 -0.11 124 122 H2A SLES 1 -5.02715 6.25566 67.9427 HCA2 121 0 0 0 0.09 125 123 H2B SLES 1 -3.55632 5.1868 68.1941 HCA2 121 0 0 0 0.09 126 124 C1 SLES 1 -3.09618 7.22431 67.4465 CC32A 121 125 126 127 -0.01 127 125 H1B SLES 1 -3.48293 8.27105 67.5519 HCA2 124 0 0 0 0.09 128 126 H1A SLES 1 -2.03054 7.20091 67.7827 HCA2 124 0 0 0 0.09 129 127 O1 SLES 1 -2.99821 7.04478 66.0709 OC30A 124 128 0 0 -0.34 130 128 C2 SLES 1 -3.71083 5.96873 65.4886 CC32A 127 129 130 131 -0.01 131 129 H2A SLES 1 -4.81558 6.07469 65.688 HCA2 128 0 0 0 0.09 132 130 H2B SLES 1 -3.37109 4.98909 65.899 HCA2 128 0 0 0 0.09 133 131 C1 SLES 1 -3.25816 6.53446 64.0936 CC32A 128 132 133 134 -0.01 134 132 H1B SLES 1 -4.30738 6.68457 63.8068 HCA2 131 0 0 0 0.09 135 133 H1A SLES 1 -2.698 5.53025 64.0809 HCA2 131 0 0 0 0.09 136 134 O1 SLES 1 -2.753 6.56777 62.7838 OC30A 131 135 0 0 -0.34 137 135 C1 SLES 1 -3.36543 5.73693 61.8078 CTL2 134 136 137 138 -0.18 138 136 H11 SLES 1 -4.49033 5.76223 61.7727 HAL2 135 0 0 0 0.09 139 137 H12 SLES 1 -3.06626 4.66949 61.9612 HAL2 135 0 0 0 0.09 140 138 C2 SLES 1 -2.74457 6.34071 60.5488 CTL2 135 139 140 141 -0.18 141 139 H21 SLES 1 -3.07775 7.38687 60.3459 HAL2 138 0 0 0 0.09 142 140 H22 SLES 1 -1.62771 6.3099 60.5529 HAL2 138 0 0 0 0.09 143 141 C3 SLES 1 -3.24313 5.45641 59.4785 CTL2 138 142 143 144 -0.18 144 142 H31 SLES 1 -4.36277 5.53624 59.5369 HAL2 141 0 0 0 0.09 145 143 H32 SLES 1 -2.87455 4.43014 59.7554 HAL2 141 0 0 0 0.09 146 144 C4 SLES 1 -2.86461 5.67794 58.0499 CTL2 141 145 146 147 -0.18 147 145 H41 SLES 1 -3.19994 6.68215 57.6909 HAL2 144 0 0 0 0.09 148 146 H42 SLES 1 -1.76058 5.61149 57.9065 HAL2 144 0 0 0 0.09 149 147 C5 SLES 1 -3.64423 4.50661 57.4373 CTL2 144 148 149 150 -0.18 150 148 H51 SLES 1 -4.73711 4.59212 57.6789 HAL2 147 0 0 0 0.09 151 149 H52 SLES 1 -3.31432 3.53505 57.8908 HAL2 147 0 0 0 0.09 152 150 C6 SLES 1 -3.55615 4.33347 55.9828 CTL2 147 151 152 153 -0.18 153 151 H61 SLES 1 -4.61279 4.34682 55.6005 HAL2 150 0 0 0 0.09 154 152 H62 SLES 1 -3.18594 3.28687 55.8128 HAL2 150 0 0 0 0.09 155 153 C7 SLES 1 -2.69212 5.34162 55.2156 CTL2 150 154 155 156 -0.18 156 154 H71 SLES 1 -3.05756 6.3937 55.2803 HAL2 153 0 0 0 0.09 157 155 H72 SLES 1 -1.61318 5.32034 55.4952 HAL2 153 0 0 0 0.09 158 156 C8 SLES 1 -2.88165 4.81289 53.8401 CTL2 153 157 158 159 -0.18 159 157 H81 SLES 1 -3.98908 4.84426 53.6382 HAL2 156 0 0 0 0.09 160 158 H82 SLES 1 -2.51409 3.74753 53.8586 HAL2 156 0 0 0 0.09 161 159 C9 SLES 1 -2.21913 5.47139 52.6807 CTL2 156 160 161 162 -0.18 162 160 H91 SLES 1 -2.56013 6.52708 52.5916 HAL2 159 0 0 0 0.09 163 161 H92 SLES 1 -1.11336 5.45095 52.8073 HAL2 159 0 0 0 0.09 164 162 C10 SLES 1 -2.71222 4.58003 51.5427 CTL2 159 163 164 165 -0.18 165 163 H10 SLES 1 -3.83533 4.58406 51.5136 HAL2 162 0 0 0 0.09 166 164 H10 SLES 1 -2.39908 3.51646 51.7277 HAL2 162 0 0 0 0.09 167 165 C11 SLES 1 -2.22532 4.96197 50.1828 CTL2 162 166 167 168 -0.18 168 166 H11 SLES 1 -2.55639 6.00972 49.9939 HAL2 165 0 0 0 0.09 169 167 H11 SLES 1 -1.11128 4.93608 50.2095 HAL2 165 0 0 0 0.09 170 168 C12 SLES 1 -2.79614 3.98752 49.1486 CTL3 165 169 170 171 -0.27 171 169 H12 SLES 1 -3.42769 4.53328 48.421 HAL3 168 0 0 0 0.09 172 170 H12 SLES 1 -1.97279 3.45139 48.6376 HAL3 168 0 0 0 0.09 173 171 H12 SLES 1 -3.4461 3.20565 49.613 HAL3 168 0 0 0 0.09 174 172 NA SLES 1 -2.75689 -5.29925 72.0339 NA 0 0 0 0 1 175 173 S SLES 1 -4.4192 -7.41317 70.6403 SL 174 175 176 177 1.33 176 174 OS1 SLES 1 -3.81823 -6.62561 69.5504 OSL 173 178 0 0 -0.28 177 175 OS2 SLES 1 -5.02303 -6.22611 71.2032 O2L 173 0 0 0 -0.65 178 176 OS3 SLES 1 -3.11303 -7.74249 71.1625 O2L 173 0 0 0 -0.65 179 177 OS4 SLES 1 -5.23447 -8.42173 70.0238 O2L 173 0 0 0 -0.65 180 178 C2 SLES 1 -3.95048 -6.81751 68.1988 CC32A 174 179 180 181 -0.11 181 179 H2A SLES 1 -5.02537 -6.73227 67.8885 HCA2 178 0 0 0 0.09 182 180 H2B SLES 1 -3.54651 -7.81945 67.8946 HCA2 178 0 0 0 0.09 183 181 C1 SLES 1 -3.10201 -5.66274 67.6242 CC32A 178 182 183 184 -0.01 184 182 H1B SLES 1 -3.49636 -4.66929 67.9616 HCA2 181 0 0 0 0.09 185 183 H1A SLES 1 -2.03594 -5.75322 67.9475 HCA2 181 0 0 0 0.09 186 184 O1 SLES 1 -3.00386 -5.52795 66.2435 OC30A 181 185 0 0 -0.34 187 185 C2 SLES 1 -3.70903 -6.45091 65.4337 CC32A 184 186 187 188 -0.01 188 186 H2A SLES 1 -4.81437 -6.40058 65.6509 HCA2 185 0 0 0 0.09 189 187 H2B SLES 1 -3.36175 -7.49518 65.6139 HCA2 185 0 0 0 0.09 190 188 C1 SLES 1 -3.26171 -5.58297 64.2019 CC32A 185 189 190 191 -0.01 191 189 H1B SLES 1 -4.31224 -5.38001 63.9552 HCA2 188 0 0 0 0.09 192 190 H1A SLES 1 -2.69418 -6.55452 63.9644 HCA2 188 0 0 0 0.09 193 191 O1 SLES 1 -2.7579 -5.25257 62.9334 OC30A 188 192 0 0 -0.34 194 192 C1 SLES 1 -3.36502 -5.84743 61.7952 CTL2 191 193 194 195 -0.18 195 193 H11 SLES 1 -4.49011 -5.82318 61.7657 HAL2 192 0 0 0 0.09 196 194 H12 SLES 1 -3.05787 -6.91983 61.7052 HAL2 192 0 0 0 0.09 197 195 C2 SLES 1 -2.74967 -4.97173 60.7046 CTL2 192 196 197 198 -0.18 198 196 H21 SLES 1 -3.09072 -3.90921 60.7416 HAL2 195 0 0 0 0.09 199 197 H22 SLES 1 -1.63261 -4.99444 60.7025 HAL2 195 0 0 0 0.09 200 198 C3 SLES 1 -3.24261 -5.59665 59.4625 CTL2 195 199 200 201 -0.18 201 199 H31 SLES 1 -4.36276 -5.54022 59.5364 HAL2 198 0 0 0 0.09 202 200 H32 SLES 1 -2.86625 -6.65616 59.5022 HAL2 198 0 0 0 0.09 203 201 C4 SLES 1 -2.86692 -5.05711 58.1206 CTL2 198 202 203 204 -0.18 204 202 H41 SLES 1 -3.20993 -4.00042 57.996 HAL2 201 0 0 0 0.09 205 203 H42 SLES 1 -1.76256 -5.0815 57.9668 HAL2 201 0 0 0 0.09 206 204 C5 SLES 1 -3.63841 -6.0666 57.2599 CTL2 201 205 206 207 -0.18 207 205 H51 SLES 1 -4.73169 -6.04559 57.5135 HAL2 204 0 0 0 0.09 208 206 H52 SLES 1 -3.30098 -7.11274 57.4838 HAL2 204 0 0 0 0.09 209 207 C6 SLES 1 -3.55028 -5.90795 55.8037 CTL2 204 208 209 210 -0.18 210 208 H61 SLES 1 -4.60731 -5.81684 55.4332 HAL2 207 0 0 0 0.09 211 209 H62 SLES 1 -3.17251 -6.88686 55.4033 HAL2 207 0 0 0 0.09 212 210 C7 SLES 1 -2.69433 -4.7469 55.2833 CTL2 207 211 212 213 -0.18 213 211 H71 SLES 1 -3.06746 -3.73894 55.5823 HAL2 210 0 0 0 0.09 214 212 H72 SLES 1 -1.61503 -4.82249 55.5518 HAL2 210 0 0 0 0.09 215 213 C8 SLES 1 -2.88112 -4.95451 53.824 CTL2 210 214 215 216 -0.18 216 214 H81 SLES 1 -3.98892 -4.88675 53.6334 HAL2 213 0 0 0 0.09 217 215 H82 SLES 1 -2.50571 -5.99406 53.603 HAL2 213 0 0 0 0.09 218 216 C9 SLES 1 -2.22444 -4.04754 52.8427 CTL2 213 217 218 219 -0.18 219 217 H91 SLES 1 -2.57327 -3.00136 52.9927 HAL2 216 0 0 0 0.09 220 218 H92 SLES 1 -1.11844 -4.08777 52.9624 HAL2 216 0 0 0 0.09 221 219 C10 SLES 1 -2.7119 -4.66412 51.5332 CTL2 216 220 221 222 -0.18 222 220 H10 SLES 1 -3.83504 -4.66191 51.5048 HAL2 219 0 0 0 0.09 223 221 H10 SLES 1 -2.39079 -5.73972 51.4748 HAL2 219 0 0 0 0.09 224 222 C11 SLES 1 -2.22897 -3.98288 50.2941 CTL2 219 223 224 225 -0.18 225 223 H11 SLES 1 -2.5679 -2.92194 50.3452 HAL2 222 0 0 0 0.09 226 224 H11 SLES 1 -1.11475 -4.0059 50.3153 HAL2 222 0 0 0 0.09 227 225 C12 SLES 1 -2.79346 -4.7043 49.067 CTL3 222 226 227 228 -0.27 228 226 H12 SLES 1 -3.42963 -4.01371 48.4801 HAL3 225 0 0 0 0.09 229 227 H12 SLES 1 -1.96662 -5.10586 48.4494 HAL3 225 0 0 0 0.09 230 228 H12 SLES 1 -3.43727 -5.57526 49.3434 HAL3 225 0 0 0 0.09 231 229 NA SLES 1 24.6115 1.64418 67.1462 NA 0 0 0 0 1 232 230 S SLES 1 22.6065 -0.607557 66.8572 SL 231 232 233 234 1.33 233 231 OS1 SLES 1 22.6295 0.0495181 65.5392 OSL 230 235 0 0 -0.28 234 232 OS2 SLES 1 22.257 0.637759 67.5035 O2L 230 0 0 0 -0.65 235 233 OS3 SLES 1 24.023 -0.880562 66.7789 O2L 230 0 0 0 -0.65 236 234 OS4 SLES 1 21.6512 -1.67631 66.7723 O2L 230 0 0 0 -0.65 237 235 C2 SLES 1 21.9255 -0.293442 64.4132 CC32A 231 236 237 238 -0.11 238 236 H2A SLES 1 20.821 -0.239842 64.6032 HCA2 235 0 0 0 0.09 239 237 H2B SLES 1 22.2009 -1.32482 64.0668 HCA2 235 0 0 0 0.09 240 238 C1 SLES 1 22.38 0.785828 63.4071 CC32A 235 239 240 241 -0.01 241 239 H1B SLES 1 22.1283 1.81251 63.7798 HCA2 238 0 0 0 0.09 242 240 H1A SLES 1 23.4825 0.728524 63.2331 HCA2 238 0 0 0 0.09 243 241 O1 SLES 1 21.8546 0.763312 62.1196 OC30A 238 242 0 0 -0.34 244 242 C2 SLES 1 20.9092 -0.242648 61.805 CC32A 241 243 244 245 -0.01 245 243 H2A SLES 1 20.0109 -0.164001 62.4821 HCA2 242 0 0 0 0.09 246 244 H2B SLES 1 21.3486 -1.26114 61.9195 HCA2 242 0 0 0 0.09 247 245 C1 SLES 1 20.7282 0.478817 60.4202 CC32A 242 246 247 248 -0.01 248 246 H1B SLES 1 19.668 0.65649 60.6441 HCA2 245 0 0 0 0.09 249 247 H1A SLES 1 21.1782 -0.515444 60.0578 HCA2 245 0 0 0 0.09 250 248 O1 SLES 1 20.6069 0.661847 59.0332 OC30A 245 249 0 0 -0.34 251 249 C1 SLES 1 19.5897 -0.0556061 58.3488 CTL2 248 250 251 252 -0.18 252 250 H11 SLES 1 18.5665 -0.0306716 58.8175 HAL2 249 0 0 0 0.09 253 251 H12 SLES 1 19.8756 -1.13244 58.2433 HAL2 249 0 0 0 0.09 254 252 C2 SLES 1 19.6212 0.688909 57.0148 CTL2 249 253 254 255 -0.18 255 253 H21 SLES 1 19.2819 1.75006 57.0891 HAL2 252 0 0 0 0.09 256 254 H22 SLES 1 20.6232 0.661981 56.5214 HAL2 252 0 0 0 0.09 257 255 C3 SLES 1 18.6621 -0.0705721 56.1904 CTL2 252 256 257 258 -0.18 258 256 H31 SLES 1 17.6872 -0.00200562 56.7457 HAL2 255 0 0 0 0.09 259 257 H32 SLES 1 19.0665 -1.1202 56.1685 HAL2 255 0 0 0 0.09 260 258 C4 SLES 1 18.3838 0.312422 54.7731 CTL2 255 259 260 261 -0.18 261 259 H41 SLES 1 17.972 1.34952 54.7049 HAL2 258 0 0 0 0.09 262 260 H42 SLES 1 19.3078 0.266707 54.1502 HAL2 258 0 0 0 0.09 263 261 C5 SLES 1 17.3605 -0.785032 54.4513 CTL2 258 262 263 264 -0.18 264 262 H51 SLES 1 16.4904 -0.731426 55.1585 HAL2 261 0 0 0 0.09 265 263 H52 SLES 1 17.8104 -1.8004 54.6094 HAL2 261 0 0 0 0.09 266 264 C6 SLES 1 16.7919 -0.792326 53.0985 CTL2 261 265 266 267 -0.18 267 265 H61 SLES 1 15.6766 -0.739757 53.2264 HAL2 264 0 0 0 0.09 268 266 H62 SLES 1 17.0003 -1.81162 52.6756 HAL2 264 0 0 0 0.09 269 267 C7 SLES 1 17.2765 0.29928 52.1368 CTL2 264 268 269 270 -0.18 270 268 H71 SLES 1 17.0263 1.33595 52.4643 HAL2 267 0 0 0 0.09 271 269 H72 SLES 1 18.3662 0.250531 51.9066 HAL2 267 0 0 0 0.09 272 270 C8 SLES 1 16.477 -0.0712677 50.9405 CTL2 267 271 272 273 -0.18 273 271 H81 SLES 1 15.3964 -0.0213796 51.2535 HAL2 270 0 0 0 0.09 274 272 H82 SLES 1 16.7651 -1.13052 50.6847 HAL2 270 0 0 0 0.09 275 273 C9 SLES 1 16.5922 0.716524 49.6824 CTL2 270 274 275 276 -0.18 276 274 H91 SLES 1 16.2965 1.77424 49.8625 HAL2 273 0 0 0 0.09 277 275 H92 SLES 1 17.6387 0.685989 49.3042 HAL2 273 0 0 0 0.09 278 276 C10 SLES 1 15.608 -0.0423176 48.7947 CTL2 273 277 278 279 -0.18 279 277 H10 SLES 1 14.588 -0.0391775 49.2657 HAL2 276 0 0 0 0.09 280 278 H10 SLES 1 15.9205 -1.11881 48.7114 HAL2 276 0 0 0 0.09 281 279 C11 SLES 1 15.4645 0.492708 47.407 CTL2 276 280 281 282 -0.18 282 280 H11 SLES 1 15.1334 1.55386 47.493 HAL2 279 0 0 0 0.09 283 281 H11 SLES 1 16.4743 0.468091 46.9355 HAL2 279 0 0 0 0.09 284 282 C12 SLES 1 14.4523 -0.360704 46.6375 CTL3 279 283 284 285 -0.27 285 283 H12 SLES 1 13.5914 0.261463 46.3247 HAL3 282 0 0 0 0.09 286 284 H12 SLES 1 14.9411 -0.832578 45.7629 HAL3 282 0 0 0 0.09 287 285 H12 SLES 1 14.037 -1.19245 47.2581 HAL3 282 0 0 0 0.09 288 286 NA SLES 1 20.1055 15.3421 66.8678 NA 0 0 0 0 1 289 287 S SLES 1 18.2117 12.98 66.958 SL 288 289 290 291 1.33 290 288 OS1 SLES 1 18.3131 13.3288 65.5307 OSL 287 292 0 0 -0.28 291 289 OS2 SLES 1 17.7682 14.3174 67.2825 O2L 287 0 0 0 -0.65 292 290 OS3 SLES 1 19.639 12.7714 67.039 O2L 287 0 0 0 -0.65 293 291 OS4 SLES 1 17.3052 11.8702 67.0514 O2L 287 0 0 0 -0.65 294 292 C2 SLES 1 17.7115 12.7082 64.4658 CC32A 288 293 294 295 -0.11 295 293 H2A SLES 1 16.5943 12.7444 64.5638 HCA2 292 0 0 0 0.09 296 294 H2B SLES 1 18.05 11.6417 64.3797 HCA2 292 0 0 0 0.09 297 295 C1 SLES 1 18.2033 13.56 63.2757 CC32A 292 296 297 298 -0.01 298 296 H1B SLES 1 17.8864 14.6291 63.3901 HCA2 295 0 0 0 0.09 299 297 H1A SLES 1 19.3173 13.5237 63.1939 HCA2 295 0 0 0 0.09 300 298 O1 SLES 1 17.7805 13.2251 61.9938 OC30A 295 299 0 0 -0.34 301 299 C2 SLES 1 16.8994 12.1261 61.8505 CC32A 298 300 301 302 -0.01 302 300 H2A SLES 1 15.949 12.3054 62.4302 HCA2 299 0 0 0 0.09 303 301 H2B SLES 1 17.3652 11.1829 62.2206 HCA2 299 0 0 0 0.09 304 302 C1 SLES 1 16.8004 12.5121 60.3299 CC32A 299 303 304 305 -0.01 305 303 H1B SLES 1 15.7203 12.6789 60.436 HCA2 302 0 0 0 0.09 306 304 H1A SLES 1 17.3128 11.4873 60.2316 HCA2 302 0 0 0 0.09 307 305 O1 SLES 1 16.7805 12.3764 58.9323 OC30A 302 306 0 0 -0.34 308 306 C1 SLES 1 15.8461 11.4726 58.3598 CTL2 305 307 308 309 -0.18 309 307 H11 SLES 1 14.7894 11.5469 58.7407 HAL2 306 0 0 0 0.09 310 308 H12 SLES 1 16.1782 10.4158 58.5187 HAL2 306 0 0 0 0.09 311 309 C2 SLES 1 15.954 11.9035 56.8977 CTL2 306 310 311 312 -0.18 312 310 H21 SLES 1 15.5719 12.9353 56.7083 HAL2 309 0 0 0 0.09 313 311 H22 SLES 1 16.9917 11.8206 56.4918 HAL2 309 0 0 0 0.09 314 312 C3 SLES 1 15.0899 10.9308 56.2025 CTL2 309 313 314 315 -0.18 315 313 H31 SLES 1 14.0731 11.0693 56.661 HAL2 312 0 0 0 0.09 316 314 H32 SLES 1 15.5326 9.92518 56.4446 HAL2 312 0 0 0 0.09 317 315 C4 SLES 1 14.9088 10.9749 54.7198 CTL2 312 316 317 318 -0.18 318 316 H41 SLES 1 14.4663 11.9479 54.3925 HAL2 315 0 0 0 0.09 319 317 H42 SLES 1 15.8794 10.8409 54.1871 HAL2 315 0 0 0 0.09 320 318 C5 SLES 1 13.9539 9.78108 54.5848 CTL2 315 319 320 321 -0.18 321 319 H51 SLES 1 13.0302 9.94424 55.2015 HAL2 318 0 0 0 0.09 322 320 H52 SLES 1 14.4267 8.85114 54.9972 HAL2 318 0 0 0 0.09 323 321 C6 SLES 1 13.4926 9.44419 53.2332 CTL2 318 322 323 324 -0.18 324 322 H61 SLES 1 12.3696 9.46502 53.2703 HAL2 321 0 0 0 0.09 325 323 H62 SLES 1 13.77 8.36891 53.0654 HAL2 321 0 0 0 0.09 326 324 C7 SLES 1 14.0106 10.3194 52.0855 CTL2 321 325 326 327 -0.18 327 325 H71 SLES 1 13.6983 11.3882 52.1538 HAL2 324 0 0 0 0.09 328 326 H72 SLES 1 15.1159 10.2783 51.9463 HAL2 324 0 0 0 0.09 329 327 C8 SLES 1 13.3202 9.65135 50.952 CTL2 324 328 329 330 -0.18 330 328 H81 SLES 1 12.2175 9.71243 51.1721 HAL2 327 0 0 0 0.09 331 329 H82 SLES 1 13.6655 8.57841 50.9611 HAL2 327 0 0 0 0.09 332 330 C9 SLES 1 13.5041 10.1456 49.5597 CTL2 327 331 332 333 -0.18 333 331 H91 SLES 1 13.1572 11.1999 49.4769 HAL2 330 0 0 0 0.09 334 332 H92 SLES 1 14.5772 10.0871 49.2696 HAL2 330 0 0 0 0.09 335 333 C10 SLES 1 12.6198 9.15813 48.801 CTL2 330 334 335 336 -0.18 336 334 H10 SLES 1 11.5669 9.21192 49.1893 HAL2 333 0 0 0 0.09 337 335 H10 SLES 1 12.9766 8.10795 48.9833 HAL2 333 0 0 0 0.09 338 336 C11 SLES 1 12.5652 9.36393 47.3221 CTL2 333 337 338 339 -0.18 339 337 H11 SLES 1 12.1902 10.3988 47.1447 HAL2 336 0 0 0 0.09 340 338 H11 SLES 1 13.6087 9.2886 46.9375 HAL2 336 0 0 0 0.09 341 339 C12 SLES 1 11.6473 8.30913 46.6978 CTL3 336 340 341 342 -0.27 342 340 H12 SLES 1 10.7913 8.80028 46.1956 HAL3 339 0 0 0 0.09 343 341 H12 SLES 1 12.2192 7.68152 45.9868 HAL3 339 0 0 0 0.09 344 342 H12 SLES 1 11.2155 7.61496 47.4601 HAL3 339 0 0 0 0.09 345 343 NA SLES 1 8.45399 23.8099 66.8788 NA 0 0 0 0 1 346 344 S SLES 1 6.65284 21.3758 66.9487 SL 345 346 347 348 1.33 347 345 OS1 SLES 1 7.017 21.5359 65.5306 OSL 344 349 0 0 -0.28 348 346 OS2 SLES 1 6.11372 22.7167 66.991 O2L 344 0 0 0 -0.65 349 347 OS3 SLES 1 8.04345 21.2626 67.3238 O2L 344 0 0 0 -0.65 350 348 OS4 SLES 1 5.78041 20.238 67.0281 O2L 344 0 0 0 -0.65 351 349 C2 SLES 1 6.65192 20.7448 64.4714 CC32A 345 350 351 352 -0.11 352 350 H2A SLES 1 5.53629 20.7292 64.3528 HCA2 349 0 0 0 0.09 353 351 H2B SLES 1 7.03378 19.6976 64.6027 HCA2 349 0 0 0 0.09 354 352 C1 SLES 1 7.33746 21.4567 63.2853 CC32A 349 353 354 355 -0.01 355 353 H1B SLES 1 6.97138 22.5114 63.1852 HCA2 352 0 0 0 0.09 356 354 H1A SLES 1 8.44696 21.4742 63.4191 HCA2 352 0 0 0 0.09 357 355 O1 SLES 1 7.1808 20.9295 62.008 OC30A 352 356 0 0 -0.34 358 356 C2 SLES 1 6.37853 19.7722 61.8603 CC32A 355 357 358 359 -0.01 359 357 H2A SLES 1 5.32902 19.9723 62.2208 HCA2 356 0 0 0 0.09 360 358 H2B SLES 1 6.79325 18.9155 62.4413 HCA2 356 0 0 0 0.09 361 359 C1 SLES 1 6.56303 19.945 60.3089 CC32A 356 360 361 362 -0.01 362 360 H1B SLES 1 5.47814 20.0619 60.1864 HCA2 359 0 0 0 0.09 363 361 H1A SLES 1 7.11642 18.9476 60.4549 HCA2 359 0 0 0 0.09 364 362 O1 SLES 1 6.81759 19.6228 58.966 OC30A 359 363 0 0 -0.34 365 363 C1 SLES 1 6.03986 18.5981 58.3635 CTL2 362 364 365 366 -0.18 366 364 H11 SLES 1 4.92769 18.6616 58.5257 HAL2 363 0 0 0 0.09 367 365 H12 SLES 1 6.36774 17.593 58.7304 HAL2 363 0 0 0 0.09 368 366 C2 SLES 1 6.41457 18.8351 56.9012 CTL2 363 367 368 369 -0.18 369 367 H21 SLES 1 6.04424 19.8086 56.4989 HAL2 366 0 0 0 0.09 370 368 H22 SLES 1 7.51313 18.7588 56.7123 HAL2 366 0 0 0 0.09 371 369 C3 SLES 1 5.73161 17.7299 56.2023 CTL2 366 370 371 372 -0.18 372 370 H31 SLES 1 4.64158 17.8696 56.4383 HAL2 369 0 0 0 0.09 373 371 H32 SLES 1 6.15029 16.793 56.6634 HAL2 369 0 0 0 0.09 374 372 C4 SLES 1 5.83882 17.5648 54.721 CTL2 369 373 374 375 -0.18 375 373 H41 SLES 1 5.4378 18.4582 54.1817 HAL2 372 0 0 0 0.09 376 374 H42 SLES 1 6.89774 17.4171 54.4036 HAL2 372 0 0 0 0.09 377 375 C5 SLES 1 4.96561 16.3106 54.5812 CTL2 372 376 377 378 -0.18 378 376 H51 SLES 1 3.93566 16.5012 54.9848 HAL2 375 0 0 0 0.09 379 377 H52 SLES 1 5.37858 15.473 55.2028 HAL2 375 0 0 0 0.09 380 378 C6 SLES 1 4.78464 15.7699 53.2291 CTL2 375 379 380 381 -0.18 381 379 H61 SLES 1 3.67552 15.7307 53.0525 HAL2 378 0 0 0 0.09 382 380 H62 SLES 1 5.12253 14.6997 53.2708 HAL2 378 0 0 0 0.09 383 381 C7 SLES 1 5.48699 16.5122 52.0858 CTL2 378 382 383 384 -0.18 384 382 H71 SLES 1 5.1343 17.5608 51.9418 HAL2 381 0 0 0 0.09 385 383 H72 SLES 1 6.59909 16.5167 52.1629 HAL2 381 0 0 0 0.09 386 384 C8 SLES 1 5.04958 15.6599 50.9501 CTL2 381 385 386 387 -0.18 387 385 H81 SLES 1 3.92377 15.6861 50.9493 HAL2 384 0 0 0 0.09 388 386 H82 SLES 1 5.41976 14.6195 51.1761 HAL2 384 0 0 0 0.09 389 387 C9 SLES 1 5.48332 15.9733 49.5607 CTL2 384 388 389 390 -0.18 390 388 H91 SLES 1 5.12627 16.9852 49.2654 HAL2 387 0 0 0 0.09 391 389 H92 SLES 1 6.59356 15.9386 49.4876 HAL2 387 0 0 0 0.09 392 390 C10 SLES 1 4.79331 14.8439 48.7986 CTL2 387 391 392 393 -0.18 393 391 H10 SLES 1 3.6841 14.8882 48.9716 HAL2 390 0 0 0 0.09 394 392 H10 SLES 1 5.14071 13.8499 49.1919 HAL2 390 0 0 0 0.09 395 393 C11 SLES 1 5.01885 14.8465 47.3215 CTL2 390 394 395 396 -0.18 396 394 H11 SLES 1 4.65319 15.825 46.9318 HAL2 393 0 0 0 0.09 397 395 H11 SLES 1 6.1188 14.7808 47.1534 HAL2 393 0 0 0 0.09 398 396 C12 SLES 1 4.27203 13.6665 46.6933 CTL3 393 397 398 399 -0.27 399 397 H12 SLES 1 3.51423 14.0359 45.9754 HAL3 396 0 0 0 0.09 400 398 H12 SLES 1 4.98969 12.9835 46.1983 HAL3 396 0 0 0 0.09 401 399 H12 SLES 1 3.723 13.0568 47.4523 HAL3 396 0 0 0 0.09 402 400 NA SLES 1 -5.96839 23.866 67.1749 NA 0 0 0 0 1 403 401 S SLES 1 -7.62567 21.3539 66.8329 SL 402 403 404 405 1.33 404 402 OS1 SLES 1 -6.94621 21.5375 65.5391 OSL 401 406 0 0 -0.28 405 403 OS2 SLES 1 -8.21866 22.6693 66.7403 O2L 401 0 0 0 -0.65 406 404 OS3 SLES 1 -6.35839 21.3006 67.5245 O2L 401 0 0 0 -0.65 407 405 OS4 SLES 1 -8.44093 20.1781 66.7112 O2L 401 0 0 0 -0.65 408 406 C2 SLES 1 -7.01687 20.7366 64.4279 CC32A 402 407 408 409 -0.11 409 407 H2A SLES 1 -8.07165 20.6721 64.0508 HCA2 406 0 0 0 0.09 410 408 H2B SLES 1 -6.6304 19.7067 64.6508 HCA2 406 0 0 0 0.09 411 409 C1 SLES 1 -6.10434 21.4845 63.4322 CC32A 406 410 411 412 -0.01 412 410 H1B SLES 1 -6.48314 22.5224 63.2433 HCA2 409 0 0 0 0.09 413 411 H1A SLES 1 -5.05917 21.5505 63.8227 HCA2 409 0 0 0 0.09 414 412 O1 SLES 1 -5.93313 20.9576 62.1566 OC30A 409 413 0 0 -0.34 415 413 C2 SLES 1 -6.62609 19.7666 61.8308 CC32A 412 414 415 416 -0.01 416 414 H2A SLES 1 -7.73872 19.918 61.9338 HCA2 413 0 0 0 0.09 417 415 H2B SLES 1 -6.32174 18.9261 62.4975 HCA2 413 0 0 0 0.09 418 416 C1 SLES 1 -6.09035 19.9557 60.3652 CC32A 413 417 418 419 -0.01 419 417 H1B SLES 1 -7.12025 20.0249 59.9908 HCA2 416 0 0 0 0.09 420 418 H1A SLES 1 -5.54297 18.9831 60.6424 HCA2 416 0 0 0 0.09 421 419 O1 SLES 1 -5.51355 19.6522 59.1213 OC30A 416 420 0 0 -0.34 422 420 C1 SLES 1 -6.08177 18.5972 58.3585 CTL2 419 421 422 423 -0.18 423 421 H11 SLES 1 -7.20263 18.6103 58.2547 HAL2 420 0 0 0 0.09 424 422 H12 SLES 1 -5.8049 17.6057 58.7975 HAL2 420 0 0 0 0.09 425 423 C2 SLES 1 -5.3851 18.8583 57.0238 CTL2 420 424 425 426 -0.18 426 424 H21 SLES 1 -5.69348 19.8165 56.5406 HAL2 423 0 0 0 0.09 427 425 H22 SLES 1 -4.27063 18.8318 57.0985 HAL2 423 0 0 0 0.09 428 426 C3 SLES 1 -5.8351 17.7276 56.19 CTL2 423 427 428 429 -0.18 429 427 H31 SLES 1 -6.95517 17.8175 56.1627 HAL2 426 0 0 0 0.09 430 428 H32 SLES 1 -5.4952 16.8078 56.7415 HAL2 426 0 0 0 0.09 431 429 C4 SLES 1 -5.37586 17.5753 54.7762 CTL2 426 430 431 432 -0.18 432 430 H41 SLES 1 -5.67832 18.4528 54.1531 HAL2 429 0 0 0 0.09 433 431 H42 SLES 1 -4.26653 17.4764 54.717 HAL2 429 0 0 0 0.09 434 432 C5 SLES 1 -6.13524 16.2843 54.4419 CTL2 429 433 434 435 -0.18 435 433 H51 SLES 1 -7.23859 16.4268 54.5914 HAL2 432 0 0 0 0.09 436 434 H52 SLES 1 -5.84297 15.4626 55.1475 HAL2 432 0 0 0 0.09 437 435 C6 SLES 1 -5.9695 15.7432 53.088 CTL2 432 436 437 438 -0.18 438 436 H61 SLES 1 -7.00327 15.6557 52.6561 HAL2 435 0 0 0 0.09 439 437 H62 SLES 1 -5.60365 14.6889 53.2135 HAL2 435 0 0 0 0.09 440 438 C7 SLES 1 -5.05202 16.522 52.1376 CTL2 435 439 440 441 -0.18 441 439 H71 SLES 1 -5.40724 17.5546 51.9092 HAL2 438 0 0 0 0.09 442 440 H72 SLES 1 -3.99043 16.5755 52.4736 HAL2 438 0 0 0 0.09 443 441 C8 SLES 1 -5.17225 15.6571 50.9355 CTL2 438 442 443 444 -0.18 444 442 H81 SLES 1 -6.26642 15.6333 50.6703 HAL2 441 0 0 0 0.09 445 443 H82 SLES 1 -4.81964 14.6331 51.2476 HAL2 441 0 0 0 0.09 446 444 C9 SLES 1 -4.43878 15.9968 49.6851 CTL2 441 445 446 447 -0.18 447 445 H91 SLES 1 -4.76109 16.9935 49.3089 HAL2 444 0 0 0 0.09 448 446 H92 SLES 1 -3.34198 16.0119 49.8749 HAL2 444 0 0 0 0.09 449 447 C10 SLES 1 -4.87968 14.8419 48.7883 CTL2 444 448 449 450 -0.18 450 448 H10 SLES 1 -5.99936 14.8361 48.6958 HAL2 447 0 0 0 0.09 451 449 H10 SLES 1 -4.59055 13.8623 49.2574 HAL2 447 0 0 0 0.09 452 450 C11 SLES 1 -4.314 14.8624 47.4055 CTL2 447 451 452 453 -0.18 453 451 H11 SLES 1 -4.62101 15.8258 46.9356 HAL2 450 0 0 0 0.09 454 452 H11 SLES 1 -3.20352 14.8465 47.5007 HAL2 450 0 0 0 0.09 455 453 C12 SLES 1 -4.83926 13.6537 46.6257 CTL3 450 454 455 456 -0.27 456 454 H12 SLES 1 -5.42296 13.9929 45.748 HAL3 453 0 0 0 0.09 457 455 H12 SLES 1 -3.99584 13.0059 46.3167 HAL3 453 0 0 0 0.09 458 456 H12 SLES 1 -5.52352 13.0162 47.2378 HAL3 453 0 0 0 0.09 459 457 NA SLES 1 -17.7264 15.4327 67.643 NA 0 0 0 0 1 460 458 S SLES 1 -19.1428 12.9445 66.6546 SL 459 460 461 462 1.33 461 459 OS1 SLES 1 -18.2453 13.3314 65.5528 OSL 458 463 0 0 -0.28 462 460 OS2 SLES 1 -19.783 14.2407 66.6261 O2L 458 0 0 0 -0.65 463 461 OS3 SLES 1 -18.0261 12.8328 67.5645 O2L 458 0 0 0 -0.65 464 462 OS4 SLES 1 -19.8517 11.7732 66.2217 O2L 458 0 0 0 -0.65 465 463 C2 SLES 1 -18.0608 12.6949 64.3519 CC32A 459 464 465 466 -0.11 466 464 H2A SLES 1 -19.021 12.652 63.7731 HCA2 463 0 0 0 0.09 467 465 H2B SLES 1 -17.664 11.6564 64.5055 HCA2 463 0 0 0 0.09 468 466 C1 SLES 1 -17.023 13.605 63.6603 CC32A 463 467 468 469 -0.01 469 467 H1B SLES 1 -17.4191 14.6469 63.5423 HCA2 466 0 0 0 0.09 470 468 H1A SLES 1 -16.0748 13.6472 64.2505 HCA2 466 0 0 0 0.09 471 469 O1 SLES 1 -16.5863 13.2706 62.3829 OC30A 466 470 0 0 -0.34 472 470 C2 SLES 1 -17.1363 12.117 61.7733 CC32A 469 471 472 473 -0.01 473 471 H2A SLES 1 -18.2554 12.2176 61.6787 HCA2 470 0 0 0 0.09 474 472 H2B SLES 1 -16.9139 11.2001 62.3676 HCA2 470 0 0 0 0.09 475 473 C1 SLES 1 -16.348 12.5293 60.4773 CC32A 470 474 475 476 -0.01 476 474 H1B SLES 1 -17.2921 12.619 59.9238 HCA2 473 0 0 0 0.09 477 475 H1A SLES 1 -15.8068 11.5447 60.7223 HCA2 473 0 0 0 0.09 478 476 O1 SLES 1 -15.5324 12.424 59.339 OC30A 473 477 0 0 -0.34 479 477 C1 SLES 1 -15.8862 11.4711 58.3467 CTL2 476 478 479 480 -0.18 480 478 H11 SLES 1 -16.9668 11.464 58.0312 HAL2 477 0 0 0 0.09 481 479 H12 SLES 1 -15.6395 10.4363 58.6943 HAL2 477 0 0 0 0.09 482 480 C2 SLES 1 -14.9687 11.941 57.2188 CTL2 477 481 482 483 -0.18 483 481 H21 SLES 1 -15.2362 12.9481 56.8177 HAL2 480 0 0 0 0.09 484 482 H22 SLES 1 -13.8882 11.9389 57.503 HAL2 480 0 0 0 0.09 485 483 C3 SLES 1 -15.189 10.927 56.1702 CTL2 480 484 485 486 -0.18 486 484 H31 SLES 1 -16.2875 10.985 55.9395 HAL2 483 0 0 0 0.09 487 485 H32 SLES 1 -14.9056 9.94906 56.6489 HAL2 483 0 0 0 0.09 488 486 C4 SLES 1 -14.4656 10.9917 54.8642 CTL2 483 487 488 489 -0.18 489 487 H41 SLES 1 -14.6965 11.9391 54.3175 HAL2 486 0 0 0 0.09 490 488 H42 SLES 1 -13.361 10.9369 55.0077 HAL2 486 0 0 0 0.09 491 489 C5 SLES 1 -15.0734 9.73843 54.22 CTL2 486 490 491 492 -0.18 492 490 H51 SLES 1 -16.1916 9.82381 54.1714 HAL2 489 0 0 0 0.09 493 491 H52 SLES 1 -14.8712 8.8342 54.8524 HAL2 489 0 0 0 0.09 494 492 C6 SLES 1 -14.6267 9.40098 52.8636 CTL2 489 493 494 495 -0.18 495 493 H61 SLES 1 -15.5547 9.34368 52.2325 HAL2 492 0 0 0 0.09 496 494 H62 SLES 1 -14.2305 8.35137 52.9153 HAL2 492 0 0 0 0.09 497 495 C7 SLES 1 -13.5943 10.3353 52.2211 CTL2 492 496 497 498 -0.18 498 496 H71 SLES 1 -13.9596 11.3783 52.0687 HAL2 495 0 0 0 0.09 499 497 H72 SLES 1 -12.619 10.3734 52.7598 HAL2 495 0 0 0 0.09 500 498 C8 SLES 1 -13.4377 9.64687 50.9138 CTL2 495 499 500 501 -0.18 501 499 H81 SLES 1 -14.4598 9.62701 50.4415 HAL2 498 0 0 0 0.09 502 500 H82 SLES 1 -13.0911 8.6003 51.1482 HAL2 498 0 0 0 0.09 503 501 C9 SLES 1 -12.5043 10.1837 49.8854 CTL2 498 502 503 504 -0.18 504 502 H91 SLES 1 -12.8077 11.2132 49.5908 HAL2 501 0 0 0 0.09 505 503 H92 SLES 1 -11.465 10.2057 50.2836 HAL2 501 0 0 0 0.09 506 504 C10 SLES 1 -12.7025 9.15498 48.7741 CTL2 501 505 506 507 -0.18 507 505 H10 SLES 1 -13.7829 9.1275 48.4673 HAL2 504 0 0 0 0.09 508 506 H10 SLES 1 -12.4501 8.12801 49.1549 HAL2 504 0 0 0 0.09 509 507 C11 SLES 1 -11.8906 9.38963 47.5419 CTL2 504 508 509 510 -0.18 510 508 H11 SLES 1 -12.1595 10.4 47.1547 HAL2 507 0 0 0 0.09 511 509 H11 SLES 1 -10.8184 9.3949 47.8467 HAL2 507 0 0 0 0.09 512 510 C12 SLES 1 -12.1902 8.28844 46.5209 CTL3 507 511 512 513 -0.27 513 511 H12 SLES 1 -12.6182 8.73068 45.6004 HAL3 510 0 0 0 0.09 514 512 H12 SLES 1 -11.268 7.71776 46.2968 HAL3 510 0 0 0 0.09 515 513 H12 SLES 1 -12.9389 7.5493 46.8986 HAL3 510 0 0 0 0.09 516 514 NA SLES 1 -22.2983 1.64418 68.1043 NA 0 0 0 0 1 517 515 S SLES 1 -23.5118 -0.607557 66.4822 SL 516 517 518 519 1.33 518 516 OS1 SLES 1 -22.5636 0.0495181 65.5665 OSL 515 520 0 0 -0.28 519 517 OS2 SLES 1 -24.2159 0.637759 66.6921 O2L 515 0 0 0 -0.65 520 518 OS3 SLES 1 -22.4548 -0.880562 67.4285 O2L 515 0 0 0 -0.65 521 519 OS4 SLES 1 -24.1272 -1.67631 65.7467 O2L 515 0 0 0 -0.65 522 520 C2 SLES 1 -22.2651 -0.293442 64.2725 CC32A 516 521 522 523 -0.11 523 521 H2A SLES 1 -23.1805 -0.239842 63.6258 HCA2 520 0 0 0 0.09 524 522 H2B SLES 1 -21.8255 -1.32482 64.2223 HCA2 520 0 0 0 0.09 525 523 C1 SLES 1 -21.2324 0.785828 63.8824 CC32A 520 524 525 526 -0.01 526 524 H1B SLES 1 -21.6739 1.81251 63.968 HCA2 523 0 0 0 0.09 527 525 H1A SLES 1 -20.3297 0.728524 64.539 HCA2 523 0 0 0 0.09 528 526 O1 SLES 1 -20.6935 0.763312 62.6006 OC30A 523 527 0 0 -0.34 529 527 C2 SLES 1 -21.1396 -0.242648 61.7096 CC32A 526 528 529 530 -0.01 530 528 H2A SLES 1 -22.2535 -0.164001 61.5531 HCA2 527 0 0 0 0.09 531 529 H2B SLES 1 -20.9098 -1.26114 62.1013 HCA2 527 0 0 0 0.09 532 530 C1 SLES 1 -20.2883 0.478817 60.6024 CC32A 527 531 532 533 -0.01 533 531 H1B SLES 1 -21.1963 0.65649 60.0111 HCA2 530 0 0 0 0.09 534 532 H1A SLES 1 -19.7139 -0.515444 60.6643 HCA2 530 0 0 0 0.09 535 533 O1 SLES 1 -19.3933 0.661847 59.5359 OC30A 530 534 0 0 -0.34 536 534 C1 SLES 1 -19.6287 -0.0556061 58.3327 CTL2 533 535 536 537 -0.18 537 535 H11 SLES 1 -20.6836 -0.0306716 57.9406 HAL2 534 0 0 0 0.09 538 536 H12 SLES 1 -19.3518 -1.13244 58.4603 HAL2 534 0 0 0 0.09 539 537 C2 SLES 1 -18.6631 0.688909 57.4116 CTL2 534 538 539 540 -0.18 540 538 H21 SLES 1 -18.9555 1.75006 57.2243 HAL2 537 0 0 0 0.09 541 539 H22 SLES 1 -17.6056 0.661981 57.7713 HAL2 537 0 0 0 0.09 542 540 C3 SLES 1 -18.7584 -0.0705721 56.1505 CTL2 537 541 542 543 -0.18 543 541 H31 SLES 1 -19.8404 -0.00200562 55.8539 HAL2 540 0 0 0 0.09 544 542 H32 SLES 1 -18.4569 -1.1202 56.421 HAL2 540 0 0 0 0.09 545 543 C4 SLES 1 -17.9529 0.312422 54.9515 CTL2 540 544 545 546 -0.18 546 544 H41 SLES 1 -18.1959 1.34952 54.6122 HAL2 543 0 0 0 0.09 547 545 H42 SLES 1 -16.8591 0.266707 55.1645 HAL2 543 0 0 0 0.09 548 546 C5 SLES 1 -18.449 -0.785032 54.0004 CTL2 543 547 548 549 -0.18 549 547 H51 SLES 1 -19.5643 -0.731426 53.8853 HAL2 546 0 0 0 0.09 550 548 H52 SLES 1 -18.2426 -1.8004 54.4303 HAL2 546 0 0 0 0.09 551 549 C6 SLES 1 -17.8945 -0.792326 52.6418 CTL2 546 550 551 552 -0.18 552 550 H61 SLES 1 -18.7736 -0.739757 51.9436 HAL2 549 0 0 0 0.09 553 551 H62 SLES 1 -17.448 -1.81162 52.4901 HAL2 549 0 0 0 0.09 554 552 C7 SLES 1 -16.8717 0.29928 52.3044 CTL2 549 553 554 555 -0.18 555 553 H71 SLES 1 -17.2803 1.33595 52.3591 HAL2 552 0 0 0 0.09 556 554 H72 SLES 1 -15.9385 0.250531 52.9122 HAL2 552 0 0 0 0.09 557 555 C8 SLES 1 -16.5912 -0.0712677 50.8932 CTL2 552 556 557 558 -0.18 558 556 H81 SLES 1 -17.5766 -0.0213796 50.3505 HAL2 555 0 0 0 0.09 559 557 H82 SLES 1 -16.2066 -1.13052 50.916 HAL2 555 0 0 0 0.09 560 558 C9 SLES 1 -15.6201 0.716524 50.085 CTL2 555 559 560 561 -0.18 561 559 H91 SLES 1 -15.9566 1.77424 50.0033 HAL2 558 0 0 0 0.09 562 560 H92 SLES 1 -14.6127 0.685989 50.5576 HAL2 558 0 0 0 0.09 563 561 C10 SLES 1 -15.6884 -0.0423176 48.7614 CTL2 558 562 563 564 -0.18 564 562 H10 SLES 1 -16.7427 -0.0391775 48.3732 HAL2 561 0 0 0 0.09 565 563 H10 SLES 1 -15.4085 -1.11881 48.9235 HAL2 561 0 0 0 0.09 566 564 C11 SLES 1 -14.8085 0.492708 47.6787 CTL2 561 565 566 567 -0.18 567 565 H11 SLES 1 -15.1035 1.55386 47.5054 HAL2 564 0 0 0 0.09 568 566 H11 SLES 1 -13.7612 0.468091 48.0593 HAL2 564 0 0 0 0.09 569 567 C12 SLES 1 -14.9802 -0.360704 46.4189 CTL3 564 568 569 570 -0.27 570 568 H12 SLES 1 -15.3678 0.261463 45.5889 HAL3 567 0 0 0 0.09 571 569 H12 SLES 1 -14.0162 -0.832578 46.1461 HAL3 567 0 0 0 0.09 572 570 H12 SLES 1 -15.7127 -1.19245 46.5641 HAL3 567 0 0 0 0.09 573 571 NA SLES 1 -17.8454 -12.2308 68.3827 NA 0 0 0 0 1 574 572 S SLES 1 -19.0988 -14.1277 66.3813 SL 573 574 575 576 1.33 575 573 OS1 SLES 1 -18.2489 -13.235 65.575 OSL 572 577 0 0 -0.28 576 574 OS2 SLES 1 -19.8291 -12.9987 66.913 O2L 572 0 0 0 -0.65 577 575 OS3 SLES 1 -17.9624 -14.5476 67.1684 O2L 572 0 0 0 -0.65 578 576 OS4 SLES 1 -19.7303 -15.0377 65.4676 O2L 572 0 0 0 -0.65 579 577 C2 SLES 1 -18.0395 -13.2664 64.2199 CC32A 573 578 579 580 -0.11 580 578 H2A SLES 1 -19.0036 -13.119 63.6652 HCA2 577 0 0 0 0.09 581 579 H2B SLES 1 -17.5681 -14.2364 63.9095 HCA2 577 0 0 0 0.09 582 580 C1 SLES 1 -17.0799 -12.0747 64.0138 CC32A 577 581 582 583 -0.01 583 581 H1B SLES 1 -17.5503 -11.1172 64.3577 HCA2 580 0 0 0 0.09 584 582 H1A SLES 1 -16.1275 -12.2285 64.5782 HCA2 580 0 0 0 0.09 585 583 O1 SLES 1 -16.6416 -11.7841 62.7263 OC30A 580 584 0 0 -0.34 586 584 C2 SLES 1 -17.1188 -12.5896 61.6641 CC32A 583 585 586 587 -0.01 587 585 H2A SLES 1 -18.2436 -12.5369 61.605 HCA2 584 0 0 0 0.09 588 586 H2B SLES 1 -16.8226 -13.656 61.8003 HCA2 584 0 0 0 0.09 589 587 C1 SLES 1 -16.3827 -11.5968 60.6927 CC32A 584 588 589 590 -0.01 590 588 H1B SLES 1 -17.3396 -11.3406 60.2192 HCA2 587 0 0 0 0.09 591 589 H1A SLES 1 -15.7695 -12.5484 60.4905 HCA2 587 0 0 0 0.09 592 590 O1 SLES 1 -15.5803 -11.1351 59.6368 OC30A 587 591 0 0 -0.34 593 591 C1 SLES 1 -15.8822 -11.5794 58.3217 CTL2 590 592 593 594 -0.18 594 592 H11 SLES 1 -16.9646 -11.5237 58.0174 HAL2 591 0 0 0 0.09 595 593 H12 SLES 1 -15.5575 -12.6416 58.1848 HAL2 591 0 0 0 0.09 596 594 C2 SLES 1 -15.0186 -10.5994 57.5287 CTL2 591 595 596 597 -0.18 597 595 H21 SLES 1 -15.3629 -9.54006 57.605 HAL2 594 0 0 0 0.09 598 596 H22 SLES 1 -13.9361 -10.6497 57.8008 HAL2 594 0 0 0 0.09 599 597 C3 SLES 1 -15.1839 -11.0644 56.1385 CTL2 594 598 599 600 -0.18 600 598 H31 SLES 1 -16.2874 -10.9889 55.9386 HAL2 597 0 0 0 0.09 601 599 H32 SLES 1 -14.8245 -12.1305 56.1449 HAL2 597 0 0 0 0.09 602 600 C4 SLES 1 -14.4883 -10.3833 55.0048 CTL2 597 601 602 603 -0.18 603 601 H41 SLES 1 -14.7942 -9.31107 54.9246 HAL2 600 0 0 0 0.09 604 602 H42 SLES 1 -13.3803 -10.4175 55.1276 HAL2 600 0 0 0 0.09 605 603 C5 SLES 1 -15.0166 -11.2672 53.8669 CTL2 600 604 605 606 -0.18 606 604 H51 SLES 1 -16.1386 -11.2482 53.8423 HAL2 603 0 0 0 0.09 607 605 H52 SLES 1 -14.7408 -12.3403 54.0425 HAL2 603 0 0 0 0.09 608 606 C6 SLES 1 -14.5693 -10.944 52.5072 CTL2 603 607 608 609 -0.18 609 607 H61 SLES 1 -15.5012 -10.7843 51.8997 HAL2 606 0 0 0 0.09 610 608 H62 SLES 1 -14.0993 -11.8793 52.1003 HAL2 606 0 0 0 0.09 611 609 C7 SLES 1 -13.6159 -9.75244 52.3557 CTL2 606 610 611 612 -0.18 612 610 H71 SLES 1 -14.0563 -8.77666 52.6697 HAL2 609 0 0 0 0.09 613 611 H72 SLES 1 -12.6372 -9.88551 52.8725 HAL2 609 0 0 0 0.09 614 612 C8 SLES 1 -13.4325 -9.78566 50.8817 CTL2 609 613 614 615 -0.18 615 613 H81 SLES 1 -14.4582 -9.66865 50.4319 HAL2 612 0 0 0 0.09 616 614 H82 SLES 1 -13.0092 -10.8019 50.6397 HAL2 612 0 0 0 0.09 617 615 C9 SLES 1 -12.5562 -8.78832 50.2077 CTL2 612 616 617 618 -0.18 618 616 H91 SLES 1 -12.9361 -7.75802 50.3889 HAL2 615 0 0 0 0.09 619 617 H92 SLES 1 -11.5147 -8.86979 50.5922 HAL2 615 0 0 0 0.09 620 618 C10 SLES 1 -12.6994 -9.23739 48.755 CTL2 615 619 620 621 -0.18 621 619 H10 SLES 1 -13.7801 -9.20379 48.4496 HAL2 618 0 0 0 0.09 622 620 H10 SLES 1 -12.3691 -10.3068 48.6516 HAL2 618 0 0 0 0.09 623 621 C11 SLES 1 -11.9262 -8.43013 47.7636 CTL2 618 622 623 624 -0.18 624 622 H11 SLES 1 -12.2719 -7.37401 47.8537 HAL2 621 0 0 0 0.09 625 623 H11 SLES 1 -10.8523 -8.48334 48.0573 HAL2 621 0 0 0 0.09 626 624 C12 SLES 1 -12.1641 -8.99088 46.3586 CTL3 621 625 626 627 -0.27 627 625 H12 SLES 1 -12.6372 -8.2215 45.718 HAL3 624 0 0 0 0.09 628 626 H12 SLES 1 -11.2077 -9.33913 45.9222 HAL3 624 0 0 0 0.09 629 627 H12 SLES 1 -12.8525 -9.87149 46.3621 HAL3 624 0 0 0 0.09 630 628 NA SLES 1 -6.04196 -20.804 68.3717 NA 0 0 0 0 1 631 629 S SLES 1 -7.59849 -22.4853 66.3906 SL 630 631 632 633 1.33 632 630 OS1 SLES 1 -6.94843 -21.4453 65.5751 OSL 629 634 0 0 -0.28 633 631 OS2 SLES 1 -8.2472 -21.4816 67.2045 O2L 629 0 0 0 -0.65 634 632 OS3 SLES 1 -6.31899 -22.9404 66.8836 O2L 629 0 0 0 -0.65 635 633 OS4 SLES 1 -8.36592 -23.2999 65.491 O2L 629 0 0 0 -0.65 636 634 C2 SLES 1 -7.00374 -21.283 64.2143 CC32A 630 635 636 637 -0.11 637 635 H2A SLES 1 -8.06092 -21.1187 63.8762 HCA2 634 0 0 0 0.09 638 636 H2B SLES 1 -6.57113 -22.1739 63.6864 HCA2 634 0 0 0 0.09 639 637 C1 SLES 1 -6.1395 -20.0211 64.0042 CC32A 634 638 639 640 -0.01 640 638 H1B SLES 1 -6.56424 -19.147 64.5627 HCA2 637 0 0 0 0.09 641 639 H1A SLES 1 -5.09177 -20.1938 64.353 HCA2 637 0 0 0 0.09 642 640 O1 SLES 1 -5.96728 -19.5361 62.7122 OC30A 637 641 0 0 -0.34 643 641 C2 SLES 1 -6.61524 -20.2185 61.6542 CC32A 640 642 643 644 -0.01 644 642 H2A SLES 1 -7.73139 -20.2235 61.8144 HCA2 641 0 0 0 0.09 645 643 H2B SLES 1 -6.26532 -21.2747 61.5795 HCA2 641 0 0 0 0.09 646 644 C1 SLES 1 -6.11177 -19.064 60.7137 CC32A 641 645 646 647 -0.01 647 645 H1B SLES 1 -7.14962 -18.8023 60.4687 HCA2 644 0 0 0 0.09 648 646 H1A SLES 1 -5.51991 -19.943 60.2672 HCA2 644 0 0 0 0.09 649 647 O1 SLES 1 -5.54317 -18.4197 59.6031 OC30A 644 648 0 0 -0.34 650 648 C1 SLES 1 -6.07928 -18.7007 58.318 CTL2 647 649 650 651 -0.18 651 649 H11 SLES 1 -7.20126 -18.6675 58.2324 HAL2 648 0 0 0 0.09 652 650 H12 SLES 1 -5.75423 -19.7146 57.9731 HAL2 648 0 0 0 0.09 653 651 C2 SLES 1 -5.41592 -17.5754 57.5252 CTL2 648 652 653 654 -0.18 654 652 H21 SLES 1 -5.77178 -16.5574 57.8145 HAL2 651 0 0 0 0.09 655 653 H22 SLES 1 -4.30025 -17.599 57.5804 HAL2 651 0 0 0 0.09 656 654 C3 SLES 1 -5.83194 -17.859 56.1386 CTL2 651 655 656 657 -0.18 657 655 H31 SLES 1 -6.95508 -17.8212 56.1613 HAL2 654 0 0 0 0.09 658 656 H32 SLES 1 -5.44508 -18.8939 55.9261 HAL2 654 0 0 0 0.09 659 657 C4 SLES 1 -5.38984 -16.9934 55.0036 CTL2 654 658 659 660 -0.18 660 658 H41 SLES 1 -5.7387 -15.9396 55.1354 HAL2 657 0 0 0 0.09 661 659 H42 SLES 1 -4.27847 -16.9797 54.9112 HAL2 657 0 0 0 0.09 662 660 C5 SLES 1 -6.10012 -17.7462 53.8705 CTL2 657 661 662 663 -0.18 663 661 H51 SLES 1 -7.20586 -17.7889 54.059 HAL2 660 0 0 0 0.09 664 662 H52 SLES 1 -5.76242 -18.8154 53.8369 HAL2 660 0 0 0 0.09 665 663 C6 SLES 1 -5.93405 -17.2188 52.5112 CTL2 660 664 665 666 -0.18 666 664 H61 SLES 1 -6.97017 -17.0334 52.1176 HAL2 663 0 0 0 0.09 667 665 H62 SLES 1 -5.52259 -18.0626 51.8948 HAL2 663 0 0 0 0.09 668 666 C7 SLES 1 -5.06541 -15.9647 52.3554 CTL2 663 667 668 669 -0.18 669 667 H71 SLES 1 -5.46702 -15.0667 52.8817 HAL2 666 0 0 0 0.09 670 668 H72 SLES 1 -4.00164 -16.109 52.656 HAL2 666 0 0 0 0.09 671 669 C8 SLES 1 -5.16906 -15.7898 50.8836 CTL2 666 670 671 672 -0.18 672 670 H81 SLES 1 -6.26546 -15.6731 50.6547 HAL2 669 0 0 0 0.09 673 671 H82 SLES 1 -4.76906 -16.7384 50.4247 HAL2 669 0 0 0 0.09 674 672 C9 SLES 1 -4.47084 -14.6624 50.2067 CTL2 669 673 674 675 -0.18 675 673 H91 SLES 1 -4.84048 -13.6893 50.6004 HAL2 672 0 0 0 0.09 676 674 H92 SLES 1 -3.37268 -14.7343 50.3742 HAL2 672 0 0 0 0.09 677 675 C10 SLES 1 -4.87779 -14.9207 48.7575 CTL2 672 676 677 678 -0.18 678 676 H10 SLES 1 -5.99761 -14.909 48.6673 HAL2 675 0 0 0 0.09 679 677 H10 SLES 1 -4.54049 -15.9458 48.443 HAL2 675 0 0 0 0.09 680 678 C11 SLES 1 -4.33604 -13.9449 47.7641 CTL2 675 679 680 681 -0.18 681 679 H11 SLES 1 -4.69054 -12.932 48.0667 HAL2 678 0 0 0 0.09 682 680 H11 SLES 1 -3.22446 -13.9748 47.8414 HAL2 678 0 0 0 0.09 683 681 C12 SLES 1 -4.82312 -14.3255 46.3631 CTL3 678 682 683 684 -0.27 684 682 H12 SLES 1 -5.43465 -13.5059 45.9383 HAL3 681 0 0 0 0.09 685 683 H12 SLES 1 -3.95859 -14.5564 45.7107 HAL3 681 0 0 0 0.09 686 684 H12 SLES 1 -5.47017 -15.2369 46.3699 HAL3 681 0 0 0 0.09 687 685 NA SLES 1 8.52756 -20.748 68.0756 NA 0 0 0 0 1 688 686 S SLES 1 6.62565 -22.5072 66.5065 SL 687 688 689 690 1.33 689 687 OS1 SLES 1 7.01922 -21.4437 65.5667 OSL 686 691 0 0 -0.28 690 688 OS2 SLES 1 6.14225 -21.5291 67.4553 O2L 686 0 0 0 -0.65 691 689 OS3 SLES 1 8.00405 -22.9025 66.6828 O2L 686 0 0 0 -0.65 692 690 OS4 SLES 1 5.7054 -23.3598 65.8079 O2L 686 0 0 0 -0.65 693 691 C2 SLES 1 6.63879 -21.2913 64.2578 CC32A 687 692 693 694 -0.11 694 692 H2A SLES 1 5.52556 -21.1759 64.1782 HCA2 691 0 0 0 0.09 695 693 H2B SLES 1 6.9745 -22.1649 63.6384 HCA2 691 0 0 0 0.09 696 694 C1 SLES 1 7.37262 -19.9933 63.8573 CC32A 691 695 696 697 -0.01 697 695 H1B SLES 1 7.05248 -19.136 64.5045 HCA2 694 0 0 0 0.09 698 696 H1A SLES 1 8.47956 -20.1174 63.9494 HCA2 694 0 0 0 0.09 699 697 O1 SLES 1 7.21495 -19.508 62.5636 OC30A 694 698 0 0 -0.34 700 698 C2 SLES 1 6.36767 -20.2241 61.6837 CC32A 697 699 700 701 -0.01 701 699 H2A SLES 1 5.32168 -20.2778 62.1014 HCA2 698 0 0 0 0.09 702 700 H2B SLES 1 6.73683 -21.2641 61.5233 HCA2 698 0 0 0 0.09 703 701 C1 SLES 1 6.58445 -19.0533 60.6574 CC32A 698 702 703 704 -0.01 704 702 H1B SLES 1 5.50751 -18.8393 60.6643 HCA2 701 0 0 0 0.09 705 703 H1A SLES 1 7.09336 -19.9075 60.0797 HCA2 701 0 0 0 0.09 706 704 O1 SLES 1 6.8472 -18.3903 59.4478 OC30A 701 705 0 0 -0.34 707 705 C1 SLES 1 6.03737 -18.7017 58.323 CTL2 704 706 707 708 -0.18 708 706 H11 SLES 1 4.92631 -18.7187 58.5034 HAL2 705 0 0 0 0.09 709 707 H12 SLES 1 6.31707 -19.7019 57.9061 HAL2 705 0 0 0 0.09 710 708 C2 SLES 1 6.44539 -17.5522 57.4026 CTL2 705 709 710 711 -0.18 711 709 H21 SLES 1 6.12254 -16.5495 57.7727 HAL2 708 0 0 0 0.09 712 710 H22 SLES 1 7.54275 -17.526 57.1941 HAL2 708 0 0 0 0.09 713 711 C3 SLES 1 5.72845 -17.8614 56.151 CTL2 708 712 713 714 -0.18 714 712 H31 SLES 1 4.64149 -17.8734 56.4369 HAL2 711 0 0 0 0.09 715 713 H32 SLES 1 6.10017 -18.8791 55.848 HAL2 711 0 0 0 0.09 716 714 C4 SLES 1 5.8528 -16.983 54.9484 CTL2 711 715 716 717 -0.18 717 715 H41 SLES 1 5.49818 -15.945 55.164 HAL2 714 0 0 0 0.09 718 716 H42 SLES 1 6.90967 -16.9204 54.5977 HAL2 714 0 0 0 0.09 719 717 C5 SLES 1 4.93049 -17.7726 54.0098 CTL2 714 718 719 720 -0.18 720 718 H51 SLES 1 3.90294 -17.8633 54.4524 HAL2 717 0 0 0 0.09 721 719 H52 SLES 1 5.29803 -18.8259 53.8923 HAL2 717 0 0 0 0.09 722 720 C6 SLES 1 4.74919 -17.2455 52.6524 CTL2 717 721 722 723 -0.18 723 721 H61 SLES 1 3.64242 -17.1084 52.514 HAL2 720 0 0 0 0.09 724 722 H62 SLES 1 5.04148 -18.0735 51.9521 HAL2 720 0 0 0 0.09 725 723 C7 SLES 1 5.50038 -15.9549 52.3036 CTL2 720 724 725 726 -0.18 726 724 H71 SLES 1 5.19408 -15.0729 52.9142 HAL2 723 0 0 0 0.09 727 725 H72 SLES 1 6.6103 -16.0502 52.3452 HAL2 723 0 0 0 0.09 728 726 C8 SLES 1 5.04639 -15.7926 50.8982 CTL2 723 727 728 729 -0.18 729 727 H81 SLES 1 3.92282 -15.7259 50.9337 HAL2 726 0 0 0 0.09 730 728 H82 SLES 1 5.36918 -16.7249 50.3532 HAL2 726 0 0 0 0.09 731 729 C9 SLES 1 5.51538 -14.6389 50.0823 CTL2 726 730 731 732 -0.18 732 730 H91 SLES 1 5.20566 -13.6811 50.5569 HAL2 729 0 0 0 0.09 733 731 H92 SLES 1 6.62425 -14.6611 49.9869 HAL2 729 0 0 0 0.09 734 732 C10 SLES 1 4.79141 -14.9227 48.7678 CTL2 729 733 734 735 -0.18 735 733 H10 SLES 1 3.68235 -14.9612 48.9431 HAL2 732 0 0 0 0.09 736 734 H10 SLES 1 5.09065 -15.9334 48.3775 HAL2 732 0 0 0 0.09 737 735 C11 SLES 1 5.0409 -13.929 47.6802 CTL2 732 736 737 738 -0.18 738 736 H11 SLES 1 4.72271 -12.9313 48.0628 HAL2 735 0 0 0 0.09 739 737 H11 SLES 1 6.13975 -13.9091 47.4941 HAL2 735 0 0 0 0.09 740 738 C12 SLES 1 4.25589 -14.3383 46.4307 CTL3 735 739 740 741 -0.27 741 739 H12 SLES 1 3.52592 -13.549 46.1657 HAL3 738 0 0 0 0.09 742 740 H12 SLES 1 4.95244 -14.5341 45.5923 HAL3 738 0 0 0 0.09 743 741 H12 SLES 1 3.66965 -15.2775 46.5843 HAL3 738 0 0 0 0.09 744 742 NA SLES 1 20.2245 -12.1402 67.6075 NA 0 0 0 0 1 745 743 S SLES 1 18.1677 -14.1631 66.6847 SL 744 745 746 747 1.33 746 744 OS1 SLES 1 18.3167 -13.2324 65.553 OSL 743 748 0 0 -0.28 747 745 OS2 SLES 1 17.8144 -13.0754 67.5694 O2L 743 0 0 0 -0.65 748 746 OS3 SLES 1 19.5752 -14.4862 66.6429 O2L 743 0 0 0 -0.65 749 747 OS4 SLES 1 17.1839 -15.1347 66.2973 O2L 743 0 0 0 -0.65 750 748 C2 SLES 1 17.6902 -13.2797 64.3337 CC32A 744 749 750 751 -0.11 751 749 H2A SLES 1 16.577 -13.2115 64.4559 HCA2 748 0 0 0 0.09 752 750 H2B SLES 1 17.9541 -14.2217 63.7837 HCA2 748 0 0 0 0.09 753 751 C1 SLES 1 18.2601 -12.0297 63.6292 CC32A 748 752 753 754 -0.01 754 752 H1B SLES 1 18.0176 -11.0994 64.2055 HCA2 751 0 0 0 0.09 755 753 H1A SLES 1 19.3701 -12.105 63.5217 HCA2 751 0 0 0 0.09 756 754 O1 SLES 1 17.8358 -11.7386 62.3372 OC30A 751 755 0 0 -0.34 757 755 C2 SLES 1 16.8818 -12.5986 61.7413 CC32A 754 756 757 758 -0.01 758 756 H2A SLES 1 15.9371 -12.6248 62.3565 HCA2 755 0 0 0 0.09 759 757 H2B SLES 1 17.2739 -13.6388 61.6532 HCA2 755 0 0 0 0.09 760 758 C1 SLES 1 16.8351 -11.5796 60.5453 CC32A 755 759 760 761 -0.01 761 759 H1B SLES 1 15.7679 -11.4004 60.7313 HCA2 758 0 0 0 0.09 762 760 H1A SLES 1 17.2755 -12.4911 59.9998 HCA2 758 0 0 0 0.09 763 761 O1 SLES 1 16.8285 -11.0876 59.2301 OC30A 758 762 0 0 -0.34 764 762 C1 SLES 1 15.8421 -11.5809 58.3348 CTL2 761 763 764 765 -0.18 765 763 H11 SLES 1 14.7872 -11.6067 58.7269 HAL2 762 0 0 0 0.09 766 764 H12 SLES 1 16.0962 -12.6211 58.0093 HAL2 762 0 0 0 0.09 767 765 C2 SLES 1 16.0039 -10.5619 57.2076 CTL2 762 766 767 768 -0.18 768 766 H21 SLES 1 15.6986 -9.52728 57.4956 HAL2 765 0 0 0 0.09 769 767 H22 SLES 1 17.0396 -10.5315 56.7896 HAL2 765 0 0 0 0.09 770 768 C3 SLES 1 15.0848 -11.0682 56.1707 CTL2 765 769 770 771 -0.18 771 769 H31 SLES 1 14.0729 -11.0732 56.6601 HAL2 768 0 0 0 0.09 772 770 H32 SLES 1 15.4515 -12.1066 55.9406 HAL2 768 0 0 0 0.09 773 771 C4 SLES 1 14.9314 -10.3664 54.8604 CTL2 768 772 773 774 -0.18 774 772 H41 SLES 1 14.564 -9.31984 54.9996 HAL2 771 0 0 0 0.09 775 773 H42 SLES 1 15.8987 -10.3215 54.3071 HAL2 771 0 0 0 0.09 776 774 C5 SLES 1 13.8971 -11.3098 54.2316 CTL2 771 775 776 777 -0.18 777 775 H51 SLES 1 12.9773 -11.3686 54.8724 HAL2 774 0 0 0 0.09 778 776 H52 SLES 1 14.2963 -12.3572 54.1873 HAL2 774 0 0 0 0.09 779 777 C6 SLES 1 13.4352 -10.9872 52.8767 CTL2 774 778 779 780 -0.18 780 778 H61 SLES 1 12.3161 -10.9056 52.9376 HAL2 777 0 0 0 0.09 781 779 H62 SLES 1 13.6388 -11.8969 52.2504 HAL2 777 0 0 0 0.09 782 780 C7 SLES 1 14.0323 -9.73658 52.2201 CTL2 777 781 782 783 -0.18 783 781 H71 SLES 1 13.795 -8.78661 52.7548 HAL2 780 0 0 0 0.09 784 782 H72 SLES 1 15.134 -9.79039 52.059 HAL2 780 0 0 0 0.09 785 783 C8 SLES 1 13.3151 -9.79013 50.92 CTL2 780 784 785 786 -0.18 786 784 H81 SLES 1 12.216 -9.75406 51.1625 HAL2 783 0 0 0 0.09 787 785 H82 SLES 1 13.5836 -10.78 50.4525 HAL2 783 0 0 0 0.09 788 786 C9 SLES 1 13.556 -8.75024 49.882 CTL2 783 787 788 789 -0.18 789 787 H91 SLES 1 13.2856 -7.7447 50.2751 HAL2 786 0 0 0 0.09 790 788 H92 SLES 1 14.6269 -8.75123 49.5782 HAL2 786 0 0 0 0.09 791 789 C10 SLES 1 12.6168 -9.24054 48.782 CTL2 786 790 791 792 -0.18 792 790 H10 SLES 1 11.5641 -9.28821 49.1717 HAL2 789 0 0 0 0.09 793 791 H10 SLES 1 12.8956 -10.2867 48.48 HAL2 789 0 0 0 0.09 794 792 C11 SLES 1 12.6009 -8.40443 47.5437 CTL2 789 793 794 795 -0.18 795 793 H11 SLES 1 12.3027 -7.37283 47.8437 HAL2 792 0 0 0 0.09 796 794 H11 SLES 1 13.6426 -8.37704 47.1481 HAL2 792 0 0 0 0.09 797 795 C12 SLES 1 11.6212 -9.01156 46.5355 CTL3 792 796 797 798 -0.27 798 796 H12 SLES 1 10.8102 -8.2911 46.3133 HAL3 795 0 0 0 0.09 799 797 H12 SLES 1 12.1589 -9.30289 45.6123 HAL3 795 0 0 0 0.09 800 798 H12 SLES 1 11.1292 -9.93714 46.9236 HAL3 795 0 0 0 0.09 801 799 NA SLES 1 38.3046 1.64418 58.8631 NA 0 0 0 0 1 802 800 S SLES 1 36.2931 -0.607557 59.1029 SL 801 802 803 804 1.33 803 801 OS1 SLES 1 35.9742 0.0495181 57.8239 OSL 800 805 0 0 -0.28 804 802 OS2 SLES 1 36.1228 0.637759 59.8176 O2L 800 0 0 0 -0.65 805 803 OS3 SLES 1 37.6411 -0.880562 58.6607 O2L 800 0 0 0 -0.65 806 804 OS4 SLES 1 35.3484 -1.67631 59.2682 O2L 800 0 0 0 -0.65 807 805 C2 SLES 1 35.0028 -0.293442 56.9184 CC32A 801 806 807 808 -0.11 808 806 H2A SLES 1 33.9851 -0.239842 57.3878 HCA2 805 0 0 0 0.09 809 807 H2B SLES 1 35.1791 -1.32482 56.5126 HCA2 805 0 0 0 0.09 810 808 C1 SLES 1 35.1813 0.785828 55.829 CC32A 805 809 810 811 -0.01 811 809 H1B SLES 1 35.0347 1.81251 56.2542 HCA2 808 0 0 0 0.09 812 810 H1A SLES 1 36.2013 0.728524 55.3756 HCA2 808 0 0 0 0.09 813 811 O1 SLES 1 34.3407 0.763312 54.7214 OC30A 808 812 0 0 -0.34 814 812 C2 SLES 1 33.346 -0.242648 54.6622 CC32A 811 813 814 815 -0.01 815 813 H2A SLES 1 32.6536 -0.164001 55.5486 HCA2 812 0 0 0 0.09 816 814 H2B SLES 1 33.8001 -1.26114 54.6591 HCA2 812 0 0 0 0.09 817 815 C1 SLES 1 32.8128 0.478817 53.3714 CC32A 812 816 817 818 -0.01 818 816 H1B SLES 1 31.8467 0.65649 53.862 HCA2 815 0 0 0 0.09 819 817 H1A SLES 1 33.1536 -0.515444 52.9049 HCA2 815 0 0 0 0.09 820 818 O1 SLES 1 32.3367 0.661847 52.0631 OC30A 815 819 0 0 -0.34 821 819 C1 SLES 1 31.1769 -0.0556061 51.6653 CTL2 818 820 821 822 -0.18 822 820 H11 SLES 1 30.3099 -0.0306716 52.3828 HAL2 819 0 0 0 0.09 823 821 H12 SLES 1 31.4259 -1.13244 51.4893 HAL2 819 0 0 0 0.09 824 822 C2 SLES 1 30.8621 0.688909 50.3685 CTL2 819 823 824 825 -0.18 825 823 H21 SLES 1 30.5537 1.75006 50.5281 HAL2 822 0 0 0 0.09 826 824 H22 SLES 1 31.7023 0.661981 49.6326 HAL2 822 0 0 0 0.09 827 825 C3 SLES 1 29.7223 -0.0705721 49.8205 CTL2 822 826 827 828 -0.18 828 826 H31 SLES 1 28.9244 -0.00200562 50.6092 HAL2 825 0 0 0 0.09 829 827 H32 SLES 1 30.1073 -1.1202 49.6946 HAL2 825 0 0 0 0.09 830 828 C4 SLES 1 29.0867 0.312422 48.5235 CTL2 825 829 830 831 -0.18 831 829 H41 SLES 1 28.6713 1.34952 48.5642 HAL2 828 0 0 0 0.09 832 830 H42 SLES 1 29.818 0.266707 47.6827 HAL2 828 0 0 0 0.09 833 831 C5 SLES 1 28.015 -0.785032 48.4775 CTL2 828 832 833 834 -0.18 834 832 H51 SLES 1 27.3576 -0.731426 49.3858 HAL2 831 0 0 0 0.09 835 833 H52 SLES 1 28.4905 -1.8004 48.5137 HAL2 831 0 0 0 0.09 836 834 C6 SLES 1 27.1156 -0.792326 47.318 CTL2 831 835 836 837 -0.18 837 835 H61 SLES 1 26.0715 -0.739757 47.7302 HAL2 834 0 0 0 0.09 838 836 H62 SLES 1 27.2075 -1.81162 46.8555 HAL2 834 0 0 0 0.09 839 837 C7 SLES 1 27.3348 0.29928 46.2636 CTL2 834 838 839 840 -0.18 840 838 H71 SLES 1 27.1779 1.33595 46.6447 HAL2 837 0 0 0 0.09 841 839 H72 SLES 1 28.3278 0.250531 45.7592 HAL2 837 0 0 0 0.09 842 840 C8 SLES 1 26.253 -0.0712677 45.315 CTL2 837 841 842 843 -0.18 843 841 H81 SLES 1 25.2902 -0.0213796 45.897 HAL2 840 0 0 0 0.09 844 842 H82 SLES 1 26.465 -1.13052 44.9934 HAL2 840 0 0 0 0.09 845 843 C9 SLES 1 26.0386 0.716524 44.0699 CTL2 840 844 845 846 -0.18 846 844 H91 SLES 1 25.7995 1.77424 44.3205 HAL2 843 0 0 0 0.09 847 845 H92 SLES 1 26.9516 0.685989 43.4338 HAL2 843 0 0 0 0.09 848 846 C10 SLES 1 24.8581 -0.0423176 43.4672 CTL2 843 847 848 849 -0.18 849 847 H10 SLES 1 23.9948 -0.0391775 44.1862 HAL2 846 0 0 0 0.09 850 848 H10 SLES 1 25.1385 -1.11881 43.3059 HAL2 846 0 0 0 0.09 851 849 C11 SLES 1 24.3604 0.492708 42.1639 CTL2 846 850 851 852 -0.18 852 850 H11 SLES 1 24.0629 1.55386 42.3327 HAL2 849 0 0 0 0.09 853 851 H11 SLES 1 25.2137 0.468091 41.4472 HAL2 849 0 0 0 0.09 854 852 C12 SLES 1 23.1835 -0.360704 41.6827 CTL3 849 853 854 855 -0.27 855 853 H12 SLES 1 22.271 0.261463 41.6033 HAL3 852 0 0 0 0.09 856 854 H12 SLES 1 23.4293 -0.832578 40.7114 HAL3 852 0 0 0 0.09 857 855 H12 SLES 1 22.943 -1.19245 42.3896 HAL3 852 0 0 0 0.09 858 856 NA SLES 1 34.9954 16.6678 58.5219 NA 0 0 0 0 1 859 857 S SLES 1 33.1516 14.3707 59.2276 SL 858 859 860 861 1.33 860 858 OS1 SLES 1 32.8639 14.6656 57.8135 OSL 857 862 0 0 -0.28 861 859 OS2 SLES 1 32.8419 15.7319 59.6039 O2L 857 0 0 0 -0.65 862 860 OS3 SLES 1 34.5417 14.1205 58.9234 O2L 857 0 0 0 -0.65 863 861 OS4 SLES 1 32.2834 13.2938 59.6127 O2L 857 0 0 0 -0.65 864 862 C2 SLES 1 31.9803 14.0269 56.9814 CC32A 858 863 864 865 -0.11 865 863 H2A SLES 1 30.9341 14.1014 57.38 HCA2 862 0 0 0 0.09 866 864 H2B SLES 1 32.2603 12.9479 56.8513 HCA2 862 0 0 0 0.09 867 865 C1 SLES 1 32.1433 14.8204 55.6671 CC32A 862 866 867 868 -0.01 868 866 H1B SLES 1 31.8919 15.9022 55.8183 HCA2 865 0 0 0 0.09 869 867 H1A SLES 1 33.191 14.7464 55.285 HCA2 865 0 0 0 0.09 870 868 O1 SLES 1 31.3777 14.4538 54.5654 OC30A 865 869 0 0 -0.34 871 869 C2 SLES 1 30.4689 13.3785 54.7157 CC32A 868 870 871 872 -0.01 872 870 H2A SLES 1 29.7184 13.6078 55.5254 HCA2 869 0 0 0 0.09 873 871 H2B SLES 1 30.9992 12.4349 54.9838 HCA2 869 0 0 0 0.09 874 872 C1 SLES 1 29.9637 13.7135 53.2654 CC32A 869 873 874 875 -0.01 875 873 H1B SLES 1 28.958 13.9177 53.656 HCA2 872 0 0 0 0.09 876 874 H1A SLES 1 30.4084 12.6704 53.0742 HCA2 872 0 0 0 0.09 877 875 O1 SLES 1 29.5577 13.5294 51.9338 OC30A 872 876 0 0 -0.34 878 876 C1 SLES 1 28.4837 12.6355 51.6779 CTL2 875 877 878 879 -0.18 879 877 H11 SLES 1 27.5741 12.7562 52.3301 HAL2 876 0 0 0 0.09 880 878 H12 SLES 1 28.825 11.5751 51.7846 HAL2 876 0 0 0 0.09 881 879 C2 SLES 1 28.1943 13.011 50.2252 CTL2 876 880 881 882 -0.18 882 880 H21 SLES 1 27.7959 14.047 50.1041 HAL2 879 0 0 0 0.09 883 881 H22 SLES 1 29.0785 12.8815 49.5546 HAL2 879 0 0 0 0.09 884 882 C3 SLES 1 27.1527 12.0418 49.8352 CTL2 879 883 884 885 -0.18 885 883 H31 SLES 1 26.3042 12.2282 50.5484 HAL2 882 0 0 0 0.09 886 884 H32 SLES 1 27.6243 11.032 49.9894 HAL2 882 0 0 0 0.09 887 885 C4 SLES 1 26.572 12.0392 48.4584 CTL2 882 886 887 888 -0.18 888 886 H41 SLES 1 26.0765 13.0135 48.2237 HAL2 885 0 0 0 0.09 889 887 H42 SLES 1 27.3559 11.8563 47.6864 HAL2 885 0 0 0 0.09 890 888 C5 SLES 1 25.5927 10.8718 48.6409 CTL2 885 889 890 891 -0.18 891 889 H51 SLES 1 24.8776 11.0855 49.4794 HAL2 888 0 0 0 0.09 892 890 H52 SLES 1 26.1416 9.94271 48.9472 HAL2 888 0 0 0 0.09 893 891 C6 SLES 1 24.7708 10.5021 47.4828 CTL2 888 892 893 894 -0.18 894 892 H61 SLES 1 23.702 10.5593 47.8252 HAL2 891 0 0 0 0.09 895 893 H62 SLES 1 24.9694 9.41338 47.2913 HAL2 891 0 0 0 0.09 896 894 C7 SLES 1 24.9711 11.3196 46.201 CTL2 891 895 896 897 -0.18 897 895 H71 SLES 1 24.7115 12.3994 46.3067 HAL2 894 0 0 0 0.09 898 896 H72 SLES 1 25.9945 11.2391 45.7663 HAL2 894 0 0 0 0.09 899 897 C8 SLES 1 23.9824 10.6339 45.3294 CTL2 894 898 899 900 -0.18 900 898 H81 SLES 1 22.9841 10.7371 45.8402 HAL2 897 0 0 0 0.09 901 899 H82 SLES 1 24.2949 9.55167 45.2892 HAL2 897 0 0 0 0.09 902 900 C9 SLES 1 23.7865 11.0727 43.9202 CTL2 897 901 902 903 -0.18 903 901 H91 SLES 1 23.4517 12.1337 43.8908 HAL2 900 0 0 0 0.09 904 902 H92 SLES 1 24.7371 10.9705 43.3501 HAL2 900 0 0 0 0.09 905 903 C10 SLES 1 22.7078 10.0872 43.4754 CTL2 900 904 905 906 -0.18 906 904 H10 SLES 1 21.8035 10.1876 44.1345 HAL2 903 0 0 0 0.09 907 905 H10 SLES 1 23.0795 9.03348 43.5975 HAL2 903 0 0 0 0.09 908 906 C11 SLES 1 22.253 10.2423 42.0606 CTL2 903 907 908 909 -0.18 909 907 H11 SLES 1 21.8649 11.2815 41.9488 HAL2 906 0 0 0 0.09 910 908 H11 SLES 1 23.1488 10.1209 41.4086 HAL2 906 0 0 0 0.09 911 909 C12 SLES 1 21.1776 9.19535 41.757 CTL3 906 910 911 912 -0.27 912 910 H12 SLES 1 20.2267 9.69499 41.488 HAL3 909 0 0 0 0.09 913 911 H12 SLES 1 21.5191 8.52548 40.9439 HAL3 909 0 0 0 0.09 914 912 H12 SLES 1 20.9579 8.54234 42.6371 HAL3 909 0 0 0 0.09 915 913 NA SLES 1 25.9333 29.0557 58.3714 NA 0 0 0 0 1 916 914 S SLES 1 24.1627 26.772 59.2791 SL 915 916 917 918 1.33 917 915 OS1 SLES 1 24.0798 26.7532 57.8087 OSL 914 919 0 0 -0.28 918 916 OS2 SLES 1 23.706 28.1434 59.3156 O2L 914 0 0 0 -0.65 919 917 OS3 SLES 1 25.5969 26.6051 59.23 O2L 914 0 0 0 -0.65 920 918 OS4 SLES 1 23.3203 25.7117 59.7566 O2L 914 0 0 0 -0.65 921 919 C2 SLES 1 23.3823 25.8794 57.0142 CC32A 915 920 921 922 -0.11 922 920 H2A SLES 1 22.2842 25.9274 57.2391 HCA2 919 0 0 0 0.09 923 921 H2B SLES 1 23.7521 24.8289 57.1529 HCA2 919 0 0 0 0.09 924 922 C1 SLES 1 23.6941 26.411 55.5986 CC32A 919 923 924 925 -0.01 925 923 H1B SLES 1 23.3492 27.4713 55.4837 HCA2 922 0 0 0 0.09 926 924 H1A SLES 1 24.7912 26.3669 55.3897 HCA2 922 0 0 0 0.09 927 925 O1 SLES 1 23.1366 25.7612 54.5026 OC30A 922 926 0 0 -0.34 928 926 C2 SLES 1 22.2908 24.6523 54.7468 CC32A 925 927 928 929 -0.01 929 927 H2A SLES 1 21.4093 24.9613 55.3784 HCA2 926 0 0 0 0.09 930 928 H2B SLES 1 22.8357 23.8368 55.2774 HCA2 926 0 0 0 0.09 931 929 C1 SLES 1 21.9965 24.644 53.2027 CC32A 926 930 931 932 -0.01 932 930 H1B SLES 1 20.9307 24.8209 53.3985 HCA2 929 0 0 0 0.09 933 931 H1A SLES 1 22.5355 23.6327 53.2977 HCA2 929 0 0 0 0.09 934 932 O1 SLES 1 21.8168 24.1624 51.8959 OC30A 929 933 0 0 -0.34 935 933 C1 SLES 1 20.8592 23.1343 51.6862 CTL2 932 934 935 936 -0.18 936 934 H11 SLES 1 19.8529 23.2908 52.1659 HAL2 933 0 0 0 0.09 937 935 H12 SLES 1 21.2511 22.1545 52.0587 HAL2 933 0 0 0 0.09 938 936 C2 SLES 1 20.7753 23.1863 50.1613 CTL2 933 937 938 939 -0.18 939 937 H21 SLES 1 20.3311 24.1338 49.772 HAL2 936 0 0 0 0.09 940 938 H22 SLES 1 21.76 23.0152 49.662 HAL2 936 0 0 0 0.09 941 939 C3 SLES 1 19.8757 22.0616 49.8419 CTL2 936 940 941 942 -0.18 942 940 H31 SLES 1 18.9156 22.3 50.3754 HAL2 939 0 0 0 0.09 943 941 H32 SLES 1 20.3851 21.1533 50.2679 HAL2 939 0 0 0 0.09 944 942 C4 SLES 1 19.5185 21.7309 48.4291 CTL2 939 943 944 945 -0.18 945 943 H41 SLES 1 19.0006 22.5863 47.9293 HAL2 942 0 0 0 0.09 946 944 H42 SLES 1 20.4239 21.4779 47.829 HAL2 942 0 0 0 0.09 947 945 C5 SLES 1 18.6045 20.5316 48.714 CTL2 942 946 947 948 -0.18 948 946 H51 SLES 1 17.7544 20.8344 49.3816 HAL2 945 0 0 0 0.09 949 947 H52 SLES 1 19.1608 19.7396 49.2811 HAL2 945 0 0 0 0.09 950 948 C6 SLES 1 18.0005 19.8621 47.5563 CTL2 945 949 950 951 -0.18 951 949 H61 SLES 1 16.89 19.8799 47.7273 HAL2 948 0 0 0 0.09 952 950 H62 SLES 1 18.3002 18.782 47.6263 HAL2 948 0 0 0 0.09 953 951 C7 SLES 1 18.3423 20.4272 46.1723 CTL2 948 952 953 954 -0.18 954 952 H71 SLES 1 17.9965 21.4758 46.0127 HAL2 951 0 0 0 0.09 955 953 H72 SLES 1 19.4241 20.364 45.9105 HAL2 951 0 0 0 0.09 956 954 C8 SLES 1 17.5507 19.4894 45.3348 CTL2 951 955 956 957 -0.18 957 955 H81 SLES 1 16.4803 19.5922 45.669 HAL2 954 0 0 0 0.09 958 956 H82 SLES 1 17.9385 18.4566 45.5657 HAL2 954 0 0 0 0.09 959 957 C9 SLES 1 17.5477 19.6209 43.8517 CTL2 954 958 959 960 -0.18 960 958 H91 SLES 1 17.1502 20.6172 43.5549 HAL2 957 0 0 0 0.09 961 959 H92 SLES 1 18.5804 19.5028 43.4533 HAL2 957 0 0 0 0.09 962 960 C10 SLES 1 16.6213 18.4658 43.4776 CTL2 957 961 962 963 -0.18 963 961 H10 SLES 1 15.6205 18.6043 43.969 HAL2 960 0 0 0 0.09 964 962 H10 SLES 1 17.0402 17.4986 43.8679 HAL2 960 0 0 0 0.09 965 963 C11 SLES 1 16.3834 18.294 42.0125 CTL2 960 964 965 966 -0.18 966 964 H11 SLES 1 15.9476 19.2475 41.633 HAL2 963 0 0 0 0.09 967 965 H11 SLES 1 17.3762 18.1355 41.5312 HAL2 963 0 0 0 0.09 968 966 C12 SLES 1 15.4423 17.107 41.7883 CTL3 963 967 968 969 -0.27 969 967 H12 SLES 1 14.5133 17.4478 41.2914 HAL3 966 0 0 0 0.09 970 968 H12 SLES 1 15.9513 16.3272 41.1889 HAL3 966 0 0 0 0.09 971 969 H12 SLES 1 15.1329 16.6215 42.7464 HAL3 966 0 0 0 0.09 972 970 NA SLES 1 12.6572 36.7461 58.4378 NA 0 0 0 0 1 973 971 S SLES 1 10.8919 34.4222 59.2486 SL 972 973 974 975 1.33 974 972 OS1 SLES 1 11.1398 34.2247 57.8102 OSL 971 976 0 0 -0.28 975 973 OS2 SLES 1 10.3445 35.7377 59.0024 O2L 971 0 0 0 -0.65 976 974 OS3 SLES 1 12.3091 34.3909 59.5275 O2L 971 0 0 0 -0.65 977 975 OS4 SLES 1 10.04 33.3478 59.675 O2L 971 0 0 0 -0.65 978 976 C2 SLES 1 10.6991 33.2009 57.011 CC32A 972 977 978 979 -0.11 979 977 H2A SLES 1 9.57782 33.1678 56.9896 HCA2 976 0 0 0 0.09 980 978 H2B SLES 1 11.1008 32.2145 57.3651 HCA2 976 0 0 0 0.09 981 979 C1 SLES 1 11.2805 33.5921 55.6353 CC32A 976 980 981 982 -0.01 982 980 H1B SLES 1 10.897 34.5932 55.3082 HCA2 979 0 0 0 0.09 983 981 H1A SLES 1 12.3969 33.6308 55.6715 HCA2 979 0 0 0 0.09 984 982 O1 SLES 1 11.0274 32.7682 54.5438 OC30A 979 983 0 0 -0.34 985 983 C2 SLES 1 10.2276 31.6183 54.7502 CC32A 982 984 985 986 -0.01 986 984 H2A SLES 1 9.20829 31.9115 55.1331 HCA2 983 0 0 0 0.09 987 985 H2B SLES 1 10.696 30.9268 55.4891 HCA2 983 0 0 0 0.09 988 986 C1 SLES 1 10.2856 31.4021 53.1943 CC32A 983 987 988 989 -0.01 989 987 H1B SLES 1 9.19332 31.4961 53.134 HCA2 986 0 0 0 0.09 990 988 H1A SLES 1 10.8589 30.4658 53.5366 HCA2 986 0 0 0 0.09 991 989 O1 SLES 1 10.4352 30.7567 51.9562 OC30A 986 990 0 0 -0.34 992 990 C1 SLES 1 9.62207 29.623 51.6886 CTL2 989 991 992 993 -0.18 993 991 H11 SLES 1 8.52585 29.7356 51.9186 HAL2 990 0 0 0 0.09 994 992 H12 SLES 1 9.98829 28.7359 52.2642 HAL2 990 0 0 0 0.09 995 993 C2 SLES 1 9.87623 29.489 50.1878 CTL2 990 994 995 996 -0.18 996 994 H21 SLES 1 9.46518 30.3372 49.5892 HAL2 993 0 0 0 0.09 997 995 H22 SLES 1 10.9569 29.3575 49.9363 HAL2 993 0 0 0 0.09 998 996 C3 SLES 1 9.15067 28.2527 49.8394 CTL2 993 997 998 999 -0.18 999 997 H31 SLES 1 8.08167 28.4571 50.1202 HAL2 996 0 0 0 0.09 1000 998 H32 SLES 1 9.61425 27.454 50.482 HAL2 996 0 0 0 0.09 1001 999 C4 SLES 1 9.14071 27.727 48.4407 CTL2 996 1000 1001 1002 -0.18 1002 1000 H41 SLES 1 8.68891 28.4641 47.7319 HAL2 999 0 0 0 0.09 1003 1001 H42 SLES 1 10.1723 27.4951 48.0857 HAL2 999 0 0 0 0.09 1004 1002 C5 SLES 1 8.27173 26.4858 48.6842 CTL2 999 1003 1004 1005 -0.18 1005 1003 H51 SLES 1 7.27549 26.7801 49.1095 HAL2 1002 0 0 0 0.09 1006 1004 H52 SLES 1 8.74145 25.8229 49.4577 HAL2 1002 0 0 0 0.09 1007 1005 C6 SLES 1 7.98861 25.6307 47.5257 CTL2 1002 1006 1007 1008 -0.18 1008 1006 H61 SLES 1 6.86937 25.5604 47.4535 HAL2 1005 0 0 0 0.09 1009 1007 H62 SLES 1 8.33946 24.6004 47.8024 HAL2 1005 0 0 0 0.09 1010 1008 C7 SLES 1 8.5898 26.0617 46.1824 CTL2 1005 1009 1010 1011 -0.18 1011 1009 H71 SLES 1 8.21624 27.046 45.8134 HAL2 1008 0 0 0 0.09 1012 1010 H72 SLES 1 9.7044 26.0739 46.1669 HAL2 1008 0 0 0 0.09 1013 1011 C8 SLES 1 8.07152 24.9605 45.3303 CTL2 1008 1012 1013 1014 -0.18 1014 1012 H81 SLES 1 6.94905 24.9969 45.4131 HAL2 1011 0 0 0 0.09 1015 1013 H82 SLES 1 8.46898 24.0041 45.775 HAL2 1011 0 0 0 0.09 1016 1014 C9 SLES 1 8.38958 24.9178 43.8764 CTL2 1011 1015 1016 1017 -0.18 1017 1015 H91 SLES 1 7.99995 25.8295 43.3706 HAL2 1014 0 0 0 0.09 1018 1016 H92 SLES 1 9.49071 24.8551 43.7255 HAL2 1014 0 0 0 0.09 1019 1017 C10 SLES 1 7.65217 23.6425 43.4734 CTL2 1014 1018 1019 1020 -0.18 1020 1018 H10 SLES 1 6.55998 23.7392 43.7184 HAL2 1017 0 0 0 0.09 1021 1019 H10 SLES 1 8.03986 22.7725 44.0702 HAL2 1017 0 0 0 0.09 1022 1020 C11 SLES 1 7.75882 23.2793 42.028 CTL2 1017 1021 1022 1023 -0.18 1023 1021 H11 SLES 1 7.35338 24.1354 41.4399 HAL2 1020 0 0 0 0.09 1024 1022 H11 SLES 1 8.84241 23.1632 41.7938 HAL2 1020 0 0 0 0.09 1025 1023 C12 SLES 1 6.976 21.9885 41.7713 CTL3 1020 1024 1025 1026 -0.27 1026 1024 H12 SLES 1 6.15954 22.1773 41.0476 HAL3 1023 0 0 0 0.09 1027 1025 H12 SLES 1 7.65858 21.1975 41.404 HAL3 1023 0 0 0 0.09 1028 1026 H12 SLES 1 6.49557 21.5899 42.6985 HAL3 1023 0 0 0 0.09 1029 1027 NA SLES 1 -2.61571 38.4421 58.7094 NA 0 0 0 0 1 1030 1028 S SLES 1 -4.33622 35.9869 59.1413 SL 1029 1030 1031 1032 1.33 1031 1029 OS1 SLES 1 -3.72073 35.7891 57.8179 OSL 1028 1033 0 0 -0.28 1032 1030 OS2 SLES 1 -4.90786 37.246 58.7187 O2L 1028 0 0 0 -0.65 1033 1031 OS3 SLES 1 -3.03632 36.0829 59.7645 O2L 1028 0 0 0 -0.65 1034 1032 OS4 SLES 1 -5.17903 34.8496 59.382 O2L 1028 0 0 0 -0.65 1035 1033 C2 SLES 1 -3.86373 34.7186 56.9725 CC32A 1029 1034 1035 1036 -0.11 1036 1034 H2A SLES 1 -4.93754 34.5882 56.6744 HCA2 1033 0 0 0 0.09 1037 1035 H2B SLES 1 -3.48613 33.7764 57.4513 HCA2 1033 0 0 0 0.09 1038 1036 C1 SLES 1 -2.9894 35.1371 55.7708 CC32A 1033 1037 1038 1039 -0.01 1039 1037 H1B SLES 1 -3.35744 36.0961 55.3222 HCA2 1036 0 0 0 0.09 1040 1038 H1A SLES 1 -1.92447 35.273 56.0818 HCA2 1036 0 0 0 0.09 1041 1039 O1 SLES 1 -2.89409 34.2775 54.6818 OC30A 1036 1040 0 0 -0.34 1042 1040 C2 SLES 1 -3.62557 33.066 54.7252 CC32A 1039 1041 1042 1043 -0.01 1043 1041 H2A SLES 1 -4.72833 33.2757 54.8319 HCA2 1040 0 0 0 0.09 1044 1042 H2B SLES 1 -3.30353 32.4293 55.5823 HCA2 1040 0 0 0 0.09 1045 1043 C1 SLES 1 -3.16231 32.8313 53.2416 CC32A 1040 1044 1045 1046 -0.01 1046 1044 H1B SLES 1 -4.20857 32.8293 52.9085 HCA2 1043 0 0 0 0.09 1047 1045 H1A SLES 1 -2.62016 31.9537 53.7498 HCA2 1043 0 0 0 0.09 1048 1046 O1 SLES 1 -2.65611 32.182 52.104 OC30A 1043 1047 0 0 -0.34 1049 1047 C1 SLES 1 -3.28288 30.9781 51.6847 CTL2 1046 1048 1049 1050 -0.18 1050 1048 H11 SLES 1 -4.40714 30.9989 51.631 HAL2 1047 0 0 0 0.09 1051 1049 H12 SLES 1 -3.00288 30.1352 52.3655 HAL2 1047 0 0 0 0.09 1052 1050 C2 SLES 1 -2.65084 30.8432 50.3001 CTL2 1047 1051 1052 1053 -0.18 1053 1051 H21 SLES 1 -2.96522 31.6431 49.5874 HAL2 1050 0 0 0 0.09 1054 1052 H22 SLES 1 -1.53471 30.8019 50.3299 HAL2 1050 0 0 0 0.09 1055 1053 C3 SLES 1 -3.16467 29.5434 49.8282 CTL2 1050 1054 1055 1056 -0.18 1056 1054 H31 SLES 1 -4.28273 29.6587 49.8269 HAL2 1053 0 0 0 0.09 1057 1055 H32 SLES 1 -2.81458 28.7979 50.5947 HAL2 1053 0 0 0 0.09 1058 1056 C4 SLES 1 -2.78169 28.9969 48.4911 CTL2 1053 1057 1058 1059 -0.18 1059 1057 H41 SLES 1 -3.09889 29.6809 47.6657 HAL2 1056 0 0 0 0.09 1060 1058 H42 SLES 1 -1.67896 28.8497 48.4123 HAL2 1056 0 0 0 0.09 1061 1059 C5 SLES 1 -3.58184 27.6891 48.5567 CTL2 1056 1060 1061 1062 -0.18 1062 1060 H51 SLES 1 -4.67312 27.9026 48.7101 HAL2 1059 0 0 0 0.09 1063 1061 H52 SLES 1 -3.2695 27.0815 49.4465 HAL2 1059 0 0 0 0.09 1064 1062 C6 SLES 1 -3.49628 26.7947 47.3965 CTL2 1059 1063 1064 1065 -0.18 1065 1063 H61 SLES 1 -4.55237 26.6265 47.0511 HAL2 1062 0 0 0 0.09 1066 1064 H62 SLES 1 -3.14474 25.8031 47.7894 HAL2 1062 0 0 0 0.09 1067 1065 C7 SLES 1 -2.61409 27.2551 46.2297 CTL2 1062 1066 1067 1068 -0.18 1068 1066 H71 SLES 1 -2.96072 28.1974 45.7435 HAL2 1065 0 0 0 0.09 1069 1067 H72 SLES 1 -1.53581 27.3635 46.491 HAL2 1065 0 0 0 0.09 1070 1068 C8 SLES 1 -2.81248 26.0999 45.3166 CTL2 1065 1069 1070 1071 -0.18 1071 1069 H81 SLES 1 -3.91909 26.0403 45.1166 HAL2 1068 0 0 0 0.09 1072 1070 H82 SLES 1 -2.46399 25.1886 45.881 HAL2 1068 0 0 0 0.09 1073 1071 C9 SLES 1 -2.13784 26.0622 43.9899 CTL2 1068 1072 1073 1074 -0.18 1074 1072 H91 SLES 1 -2.45991 26.9286 43.37 HAL2 1071 0 0 0 0.09 1075 1073 H92 SLES 1 -1.03266 26.0927 44.1196 HAL2 1071 0 0 0 0.09 1076 1074 C10 SLES 1 -2.64631 24.7217 43.4636 CTL2 1071 1075 1076 1077 -0.18 1077 1075 H10 SLES 1 -3.76916 24.7272 43.4258 HAL2 1074 0 0 0 0.09 1078 1076 H10 SLES 1 -2.35227 23.8979 44.1696 HAL2 1074 0 0 0 0.09 1079 1077 C11 SLES 1 -2.15212 24.3465 42.1043 CTL2 1074 1078 1079 1080 -0.18 1080 1078 H11 SLES 1 -2.46436 25.1549 41.4029 HAL2 1077 0 0 0 0.09 1081 1079 H11 SLES 1 -1.03873 24.321 42.1511 HAL2 1077 0 0 0 0.09 1082 1080 C12 SLES 1 -2.73982 22.9888 41.709 CTL3 1077 1081 1082 1083 -0.27 1083 1081 H12 SLES 1 -3.36124 23.0949 40.7986 HAL3 1080 0 0 0 0.09 1084 1082 H12 SLES 1 -1.92597 22.2543 41.552 HAL3 1080 0 0 0 0.09 1085 1083 H12 SLES 1 -3.40383 22.5647 42.5018 HAL3 1080 0 0 0 0.09 1086 1084 NA SLES 1 -17.3214 33.814 59.1394 NA 0 0 0 0 1 1087 1085 S SLES 1 -18.8599 31.2101 58.9758 SL 1086 1087 1088 1089 1.33 1088 1086 OS1 SLES 1 -17.9347 31.1751 57.8304 OSL 1085 1090 0 0 -0.28 1089 1087 OS2 SLES 1 -19.4303 32.4557 58.5133 O2L 1085 0 0 0 -0.65 1090 1088 OS3 SLES 1 -17.7578 31.3469 59.8999 O2L 1085 0 0 0 -0.65 1091 1089 OS4 SLES 1 -19.6265 29.9969 58.9283 O2L 1085 0 0 0 -0.65 1092 1090 C2 SLES 1 -17.7749 30.1752 56.9053 CC32A 1086 1091 1092 1093 -0.11 1093 1091 H2A SLES 1 -18.7315 29.9924 56.3482 HCA2 1090 0 0 0 0.09 1094 1092 H2B SLES 1 -17.4348 29.2251 57.3966 HCA2 1090 0 0 0 0.09 1095 1093 C1 SLES 1 -16.685 30.7608 55.9818 CC32A 1090 1094 1095 1096 -0.01 1096 1094 H1B SLES 1 -17.0244 31.7256 55.5231 HCA2 1093 0 0 0 0.09 1097 1095 H1A SLES 1 -15.7405 30.9472 56.5496 HCA2 1093 0 0 0 0.09 1098 1096 O1 SLES 1 -16.2568 30.0094 54.8928 OC30A 1093 1097 0 0 -0.34 1099 1097 C2 SLES 1 -16.8624 28.7479 54.6762 CC32A 1096 1098 1099 1100 -0.01 1100 1098 H2A SLES 1 -17.9739 28.8655 54.5268 HCA2 1097 0 0 0 0.09 1101 1099 H2B SLES 1 -16.6935 28.0642 55.5408 HCA2 1097 0 0 0 0.09 1102 1100 C1 SLES 1 -16.0434 28.6791 53.3364 CC32A 1097 1101 1102 1103 -0.01 1103 1101 H1B SLES 1 -16.977 28.629 52.7607 HCA2 1100 0 0 0 0.09 1104 1102 H1A SLES 1 -15.557 27.8028 53.9003 HCA2 1100 0 0 0 0.09 1105 1103 O1 SLES 1 -15.2257 28.1712 52.3139 OC30A 1100 1104 0 0 -0.34 1106 1104 C1 SLES 1 -15.6218 26.9657 51.6753 CTL2 1103 1105 1106 1107 -0.18 1107 1105 H11 SLES 1 -16.6988 26.9079 51.3527 HAL2 1104 0 0 0 0.09 1108 1106 H12 SLES 1 -15.433 26.0893 52.3452 HAL2 1104 0 0 0 0.09 1109 1107 C2 SLES 1 -14.672 26.9996 50.4788 CTL2 1104 1108 1109 1110 -0.18 1110 1108 H21 SLES 1 -14.8826 27.8335 49.7668 HAL2 1107 0 0 0 0.09 1111 1109 H22 SLES 1 -13.5954 27.0385 50.7748 HAL2 1107 0 0 0 0.09 1112 1110 C3 SLES 1 -14.9376 25.7118 49.8101 CTL2 1107 1111 1112 1113 -0.18 1113 1111 H31 SLES 1 -16.0297 25.7439 49.5462 HAL2 1110 0 0 0 0.09 1114 1112 H32 SLES 1 -14.7101 24.93 50.5865 HAL2 1110 0 0 0 0.09 1115 1113 C4 SLES 1 -14.2018 25.3145 48.5717 CTL2 1110 1114 1115 1116 -0.18 1116 1114 H41 SLES 1 -14.3778 26.0429 47.7421 HAL2 1113 0 0 0 0.09 1117 1115 H42 SLES 1 -13.1027 25.2566 48.7522 HAL2 1113 0 0 0 0.09 1118 1116 C5 SLES 1 -14.8701 23.9503 48.3534 CTL2 1113 1117 1118 1119 -0.18 1119 1117 H51 SLES 1 -15.9818 24.0684 48.2524 HAL2 1116 0 0 0 0.09 1120 1118 H52 SLES 1 -14.7209 23.2919 49.2493 HAL2 1116 0 0 0 0.09 1121 1119 C6 SLES 1 -14.4314 23.1699 47.1908 CTL2 1116 1120 1121 1122 -0.18 1122 1120 H61 SLES 1 -15.3562 22.955 46.5897 HAL2 1119 0 0 0 0.09 1123 1121 H62 SLES 1 -14.0918 22.1763 47.5893 HAL2 1119 0 0 0 0.09 1124 1122 C7 SLES 1 -13.346 23.7946 46.3058 CTL2 1119 1123 1124 1125 -0.18 1125 1123 H71 SLES 1 -13.6543 24.7478 45.8149 HAL2 1122 0 0 0 0.09 1126 1124 H72 SLES 1 -12.3743 23.9591 46.8269 HAL2 1122 0 0 0 0.09 1127 1125 C8 SLES 1 -13.216 22.7124 45.2962 CTL2 1122 1126 1127 1128 -0.18 1128 1126 H81 SLES 1 -14.234 22.589 44.8309 HAL2 1125 0 0 0 0.09 1129 1127 H82 SLES 1 -12.9271 21.7834 45.8654 HAL2 1125 0 0 0 0.09 1130 1128 C9 SLES 1 -12.2476 22.8412 44.1726 CTL2 1125 1129 1130 1131 -0.18 1131 1129 H91 SLES 1 -12.4936 23.7324 43.553 HAL2 1128 0 0 0 0.09 1132 1130 H92 SLES 1 -11.2117 22.9418 44.5676 HAL2 1128 0 0 0 0.09 1133 1131 C10 SLES 1 -12.4914 21.518 43.4498 CTL2 1128 1132 1133 1134 -0.18 1134 1132 H10 SLES 1 -13.5693 21.4439 43.142 HAL2 1131 0 0 0 0.09 1135 1133 H10 SLES 1 -12.2966 20.6596 44.1488 HAL2 1131 0 0 0 0.09 1136 1134 C11 SLES 1 -11.6586 21.3009 42.2283 CTL2 1131 1135 1136 1137 -0.18 1137 1135 H11 SLES 1 -11.8706 22.1424 41.5283 HAL2 1134 0 0 0 0.09 1138 1136 H11 SLES 1 -10.5901 21.3538 42.5412 HAL2 1134 0 0 0 0.09 1139 1137 C12 SLES 1 -12.0083 19.9435 41.612 CTL3 1134 1138 1139 1140 -0.27 1140 1138 H12 SLES 1 -12.4051 20.0827 40.5876 HAL3 1137 0 0 0 0.09 1141 1139 H12 SLES 1 -11.1159 19.2877 41.6074 HAL3 1137 0 0 0 0.09 1142 1140 H12 SLES 1 -12.7979 19.4035 42.1902 HAL3 1137 0 0 0 0.09 1143 1141 NA SLES 1 -28.9414 23.5809 59.6534 NA 0 0 0 0 1 1144 1142 S SLES 1 -30.1596 20.9487 58.7807 SL 1143 1144 1145 1146 1.33 1145 1143 OS1 SLES 1 -29.0451 21.178 57.8455 OSL 1142 1147 0 0 -0.28 1146 1144 OS2 SLES 1 -30.7585 22.2149 58.4219 O2L 1142 0 0 0 -0.65 1147 1145 OS3 SLES 1 -29.2602 20.9948 59.9104 O2L 1142 0 0 0 -0.65 1148 1146 OS4 SLES 1 -30.781 19.7138 58.3923 O2L 1142 0 0 0 -0.65 1149 1147 C2 SLES 1 -28.6236 20.3693 56.821 CC32A 1143 1148 1149 1150 -0.11 1150 1148 H2A SLES 1 -29.4419 20.2232 56.0674 HCA2 1147 0 0 0 0.09 1151 1149 H2B SLES 1 -28.2846 19.3728 57.2104 HCA2 1147 0 0 0 0.09 1152 1150 C1 SLES 1 -27.4494 21.1802 56.2318 CC32A 1147 1151 1152 1153 -0.01 1153 1151 H1B SLES 1 -27.7951 22.1855 55.8764 HCA2 1150 0 0 0 0.09 1154 1152 H1A SLES 1 -26.6452 21.3271 56.994 HCA2 1150 0 0 0 0.09 1155 1153 O1 SLES 1 -26.7604 20.6625 55.1403 OC30A 1150 1154 0 0 -0.34 1156 1154 C2 SLES 1 -27.1892 19.4208 54.6117 CC32A 1153 1155 1156 1157 -0.01 1157 1155 H2A SLES 1 -28.2619 19.4877 54.2708 HCA2 1154 0 0 0 0.09 1158 1156 H2B SLES 1 -27.111 18.6087 55.3719 HCA2 1154 0 0 0 0.09 1159 1157 C1 SLES 1 -26.1404 19.6439 53.4623 CC32A 1154 1158 1159 1160 -0.01 1160 1158 H1B SLES 1 -26.9461 19.633 52.7163 HCA2 1157 0 0 0 0.09 1161 1159 H1A SLES 1 -25.6786 18.7169 53.962 HCA2 1157 0 0 0 0.09 1162 1160 O1 SLES 1 -25.1064 19.3799 52.5495 OC30A 1157 1161 0 0 -0.34 1163 1161 C1 SLES 1 -25.2599 18.2815 51.6619 CTL2 1160 1162 1163 1164 -0.18 1164 1162 H11 SLES 1 -26.2505 18.209 51.132 HAL2 1161 0 0 0 0.09 1165 1163 H12 SLES 1 -25.1083 17.3157 52.2067 HAL2 1161 0 0 0 0.09 1166 1164 C2 SLES 1 -24.1191 18.5892 50.693 CTL2 1161 1165 1166 1167 -0.18 1167 1165 H21 SLES 1 -24.2803 19.5191 50.0964 HAL2 1164 0 0 0 0.09 1168 1166 H22 SLES 1 -23.1222 18.6478 51.1942 HAL2 1164 0 0 0 0.09 1169 1167 C3 SLES 1 -24.1313 17.424 49.7883 CTL2 1164 1168 1169 1170 -0.18 1170 1168 H31 SLES 1 -25.1561 17.4284 49.3267 HAL2 1167 0 0 0 0.09 1171 1169 H32 SLES 1 -23.9703 16.535 50.4588 HAL2 1167 0 0 0 0.09 1172 1170 C4 SLES 1 -23.1496 17.301 48.6685 CTL2 1167 1171 1172 1173 -0.18 1173 1171 H41 SLES 1 -23.2455 18.1503 47.9479 HAL2 1170 0 0 0 0.09 1174 1172 H42 SLES 1 -22.1005 17.2865 49.0467 HAL2 1170 0 0 0 0.09 1175 1173 C5 SLES 1 -23.6292 15.9546 48.1096 CTL2 1170 1174 1175 1176 -0.18 1176 1174 H51 SLES 1 -24.7109 16.0135 47.8155 HAL2 1173 0 0 0 0.09 1177 1175 H52 SLES 1 -23.5786 15.1605 48.9004 HAL2 1173 0 0 0 0.09 1178 1176 C6 SLES 1 -22.9139 15.422 46.9443 CTL2 1173 1177 1178 1179 -0.18 1179 1177 H61 SLES 1 -23.6901 15.2544 46.1491 HAL2 1176 0 0 0 0.09 1180 1178 H62 SLES 1 -22.5544 14.3991 47.2369 HAL2 1176 0 0 0 0.09 1181 1179 C7 SLES 1 -21.7549 16.2643 46.3977 CTL2 1176 1180 1181 1182 -0.18 1182 1180 H71 SLES 1 -22.0632 17.2659 46.0153 HAL2 1179 0 0 0 0.09 1183 1181 H72 SLES 1 -20.9136 16.3997 47.1165 HAL2 1179 0 0 0 0.09 1184 1182 C8 SLES 1 -21.3392 15.3877 45.2725 CTL2 1179 1183 1184 1185 -0.18 1185 1183 H81 SLES 1 -22.2399 15.2796 44.6053 HAL2 1182 0 0 0 0.09 1186 1184 H82 SLES 1 -21.0664 14.3947 45.7307 HAL2 1182 0 0 0 0.09 1187 1185 C9 SLES 1 -20.2026 15.7768 44.3929 CTL2 1182 1186 1187 1188 -0.18 1188 1186 H91 SLES 1 -20.4208 16.7445 43.8882 HAL2 1185 0 0 0 0.09 1189 1187 H92 SLES 1 -19.2695 15.876 44.9918 HAL2 1185 0 0 0 0.09 1190 1188 C10 SLES 1 -20.1803 14.588 43.4344 CTL2 1185 1189 1190 1191 -0.18 1191 1189 H10 SLES 1 -21.1729 14.4966 42.916 HAL2 1188 0 0 0 0.09 1192 1190 H10 SLES 1 -20.0299 13.6351 44.0114 HAL2 1188 0 0 0 0.09 1193 1191 C11 SLES 1 -19.1247 14.6455 42.3786 CTL2 1188 1192 1193 1194 -0.18 1194 1192 H11 SLES 1 -19.2902 15.5808 41.7946 HAL2 1191 0 0 0 0.09 1195 1193 H11 SLES 1 -18.1402 14.7145 42.8967 HAL2 1191 0 0 0 0.09 1196 1194 C12 SLES 1 -19.2217 13.3971 41.4971 CTL3 1191 1195 1196 1197 -0.27 1197 1195 H12 SLES 1 -19.4403 13.6872 40.4511 HAL3 1194 0 0 0 0.09 1198 1196 H12 SLES 1 -18.2824 12.814 41.5606 HAL3 1194 0 0 0 0.09 1199 1197 H12 SLES 1 -20.0447 12.712 41.8176 HAL3 1194 0 0 0 0.09 1200 1198 NA SLES 1 -35.4226 9.43959 60.1626 NA 0 0 0 0 1 1201 1199 S SLES 1 -36.2988 7.00385 58.5898 SL 1200 1201 1202 1203 1.33 1202 1200 OS1 SLES 1 -35.1297 7.52415 57.8606 OSL 1199 1204 0 0 -0.28 1203 1201 OS2 SLES 1 -36.9799 8.27273 58.4602 O2L 1199 0 0 0 -0.65 1204 1202 OS3 SLES 1 -35.516 6.849 59.7942 O2L 1199 0 0 0 -0.65 1205 1203 OS4 SLES 1 -36.7614 5.85273 57.8667 O2L 1199 0 0 0 -0.65 1206 1204 C2 SLES 1 -34.5403 7.00926 56.7342 CC32A 1200 1205 1206 1207 -0.11 1207 1205 H2A SLES 1 -35.2679 6.98516 55.8805 HCA2 1204 0 0 0 0.09 1208 1206 H2B SLES 1 -34.1454 5.97619 56.9249 HCA2 1204 0 0 0 0.09 1209 1207 C1 SLES 1 -33.3993 8.01708 56.4774 CC32A 1204 1208 1209 1210 -0.01 1210 1208 H1B SLES 1 -33.8048 9.05021 56.3209 HCA2 1207 0 0 0 0.09 1211 1209 H1A SLES 1 -32.6866 8.03895 57.3381 HCA2 1207 0 0 0 0.09 1212 1210 O1 SLES 1 -32.5663 7.81907 55.3815 OC30A 1207 1211 0 0 -0.34 1213 1211 C2 SLES 1 -32.8243 6.70787 54.5427 CC32A 1210 1212 1213 1214 -0.01 1214 1212 H2A SLES 1 -33.8625 6.77571 54.1079 HCA2 1211 0 0 0 0.09 1215 1213 H2B SLES 1 -32.7397 5.74838 55.1047 HCA2 1211 0 0 0 0.09 1216 1214 C1 SLES 1 -31.6999 7.26744 53.5975 CC32A 1211 1215 1216 1217 -0.01 1217 1215 H1B SLES 1 -32.4285 7.37359 52.783 HCA2 1214 0 0 0 0.09 1218 1216 H1A SLES 1 -31.2 6.28478 53.9244 HCA2 1214 0 0 0 0.09 1219 1217 O1 SLES 1 -30.5656 7.29837 52.7702 OC30A 1214 1218 0 0 -0.34 1220 1218 C1 SLES 1 -30.5313 6.42954 51.6469 CTL2 1217 1219 1220 1221 -0.18 1221 1219 H11 SLES 1 -31.4573 6.41223 51.0069 HAL2 1218 0 0 0 0.09 1222 1220 H12 SLES 1 -30.3393 5.37664 51.974 HAL2 1218 0 0 0 0.09 1223 1221 C2 SLES 1 -29.3404 7.03561 50.9057 CTL2 1218 1222 1223 1224 -0.18 1224 1222 H21 SLES 1 -29.5336 8.06518 50.5193 HAL2 1221 0 0 0 0.09 1225 1223 H22 SLES 1 -28.4042 7.0466 51.5154 HAL2 1221 0 0 0 0.09 1226 1224 C3 SLES 1 -29.158 6.11608 49.7667 CTL2 1221 1225 1226 1227 -0.18 1227 1225 H31 SLES 1 -30.1316 6.15498 49.2062 HAL2 1224 0 0 0 0.09 1228 1226 H32 SLES 1 -28.9757 5.10892 50.2337 HAL2 1224 0 0 0 0.09 1229 1227 C4 SLES 1 -28.0699 6.32843 48.7647 CTL2 1224 1228 1229 1230 -0.18 1230 1228 H41 SLES 1 -28.1793 7.31346 48.2475 HAL2 1227 0 0 0 0.09 1231 1229 H42 SLES 1 -27.0636 6.30094 49.2448 HAL2 1227 0 0 0 0.09 1232 1230 C5 SLES 1 -28.3655 5.11903 47.8675 CTL2 1227 1231 1232 1233 -0.18 1233 1231 H51 SLES 1 -29.4161 5.16756 47.4751 HAL2 1230 0 0 0 0.09 1234 1232 H52 SLES 1 -28.3127 4.16794 48.4599 HAL2 1230 0 0 0 0.09 1235 1233 C6 SLES 1 -27.4982 4.92576 46.6997 CTL2 1230 1234 1235 1236 -0.18 1236 1234 H61 SLES 1 -28.1781 4.89344 45.8055 HAL2 1233 0 0 0 0.09 1237 1235 H62 SLES 1 -27.0715 3.8911 46.793 HAL2 1233 0 0 0 0.09 1238 1236 C7 SLES 1 -26.3791 5.95291 46.4895 CTL2 1233 1237 1238 1239 -0.18 1239 1237 H71 SLES 1 -26.7448 6.99152 46.3101 HAL2 1236 0 0 0 0.09 1240 1238 H72 SLES 1 -25.6245 5.97647 47.3097 HAL2 1236 0 0 0 0.09 1241 1239 C8 SLES 1 -25.7798 5.39526 45.2496 CTL2 1236 1240 1241 1242 -0.18 1242 1240 H81 SLES 1 -26.6007 5.38198 44.4789 HAL2 1239 0 0 0 0.09 1243 1241 H82 SLES 1 -25.4571 4.34481 45.5004 HAL2 1239 0 0 0 0.09 1244 1242 C9 SLES 1 -24.6091 6.05918 44.6128 CTL2 1239 1243 1244 1245 -0.18 1245 1243 H91 SLES 1 -24.8709 7.09981 44.3174 HAL2 1242 0 0 0 0.09 1246 1244 H92 SLES 1 -23.749 6.0821 45.3191 HAL2 1242 0 0 0 0.09 1247 1245 C10 SLES 1 -24.3854 5.1317 43.4202 CTL2 1242 1246 1247 1248 -0.18 1248 1246 H10 SLES 1 -25.3126 5.09332 42.7869 HAL2 1245 0 0 0 0.09 1249 1247 H10 SLES 1 -24.1988 4.0837 43.7812 HAL2 1245 0 0 0 0.09 1250 1248 C11 SLES 1 -23.247 5.50948 42.5291 CTL2 1245 1249 1250 1251 -0.18 1251 1249 H11 SLES 1 -23.4462 6.54094 42.1556 HAL2 1248 0 0 0 0.09 1252 1250 H11 SLES 1 -22.3256 5.52565 43.1561 HAL2 1248 0 0 0 0.09 1253 1251 C12 SLES 1 -23.143 4.49776 41.3843 CTL3 1248 1252 1253 1254 -0.27 1254 1252 H12 SLES 1 -23.2907 5.0077 40.4126 HAL3 1251 0 0 0 0.09 1255 1253 H12 SLES 1 -22.1623 3.98455 41.4196 HAL3 1251 0 0 0 0.09 1256 1254 H12 SLES 1 -23.9231 3.69979 41.4485 HAL3 1251 0 0 0 0.09 1257 1255 NA SLES 1 -35.5608 -6.1806 60.5788 NA 0 0 0 0 1 1258 1256 S SLES 1 -36.2478 -8.20811 58.436 SL 1257 1258 1259 1260 1.33 1259 1257 OS1 SLES 1 -35.1339 -7.426 57.8731 OSL 1256 1261 0 0 -0.28 1260 1258 OS2 SLES 1 -37.0335 -7.0086 58.6217 O2L 1256 0 0 0 -0.65 1261 1259 OS3 SLES 1 -35.442 -8.59439 59.5712 O2L 1256 0 0 0 -0.65 1262 1260 OS4 SLES 1 -36.6205 -9.17541 57.4423 O2L 1256 0 0 0 -0.65 1263 1261 C2 SLES 1 -34.5156 -7.5909 56.6599 CC32A 1257 1262 1263 1264 -0.11 1264 1262 H2A SLES 1 -35.2478 -7.46056 55.8197 HCA2 1261 0 0 0 0.09 1265 1263 H2B SLES 1 -34.034 -8.60216 56.5896 HCA2 1261 0 0 0 0.09 1266 1264 C1 SLES 1 -33.4653 -6.45946 56.6764 CC32A 1261 1265 1266 1267 -0.01 1267 1265 H1B SLES 1 -33.9572 -5.45758 56.7797 HCA2 1264 0 0 0 0.09 1268 1266 H1A SLES 1 -32.7478 -6.59492 57.5225 HCA2 1264 0 0 0 0.09 1269 1267 O1 SLES 1 -32.6305 -6.30609 55.5747 OC30A 1264 1268 0 0 -0.34 1270 1268 C2 SLES 1 -32.8039 -7.18883 54.4813 CC32A 1267 1269 1270 1271 -0.01 1271 1269 H2A SLES 1 -33.8487 -7.10078 54.0664 HCA2 1268 0 0 0 0.09 1272 1270 H2B SLES 1 -32.6337 -8.24812 54.7854 HCA2 1268 0 0 0 0.09 1273 1271 C1 SLES 1 -31.7401 -6.31836 53.7187 CC32A 1268 1272 1273 1274 -0.01 1274 1272 H1B SLES 1 -32.4837 -6.07234 52.9492 HCA2 1271 0 0 0 0.09 1275 1273 H1A SLES 1 -31.1567 -7.30645 53.794 HCA2 1271 0 0 0 0.09 1276 1274 O1 SLES 1 -30.6212 -5.9865 52.9378 OC30A 1271 1275 0 0 -0.34 1277 1275 C1 SLES 1 -30.5266 -6.53976 51.6328 CTL2 1274 1276 1277 1278 -0.18 1278 1276 H11 SLES 1 -31.4547 -6.47303 50.9992 HAL2 1275 0 0 0 0.09 1279 1277 H12 SLES 1 -30.2441 -7.62128 51.6874 HAL2 1275 0 0 0 0.09 1280 1278 C2 SLES 1 -29.3983 -5.6701 51.0801 CTL2 1275 1279 1280 1281 -0.18 1281 1279 H21 SLES 1 -29.6807 -4.59632 50.9623 HAL2 1278 0 0 0 0.09 1282 1280 H22 SLES 1 -28.4598 -5.73447 51.683 HAL2 1278 0 0 0 0.09 1283 1281 C3 SLES 1 -29.1521 -6.25597 49.7488 CTL2 1278 1282 1283 1284 -0.18 1284 1282 H31 SLES 1 -30.1314 -6.15895 49.2057 HAL2 1281 0 0 0 0.09 1285 1283 H32 SLES 1 -28.8816 -7.3293 49.9502 HAL2 1281 0 0 0 0.09 1286 1284 C4 SLES 1 -28.0962 -5.70917 48.8438 CTL2 1281 1285 1286 1287 -0.18 1287 1285 H41 SLES 1 -28.2927 -4.63853 48.5891 HAL2 1284 0 0 0 0.09 1288 1286 H42 SLES 1 -27.086 -5.77229 49.3123 HAL2 1284 0 0 0 0.09 1289 1287 C5 SLES 1 -28.2995 -6.67507 47.6687 CTL2 1284 1288 1289 1290 -0.18 1290 1288 H51 SLES 1 -29.3546 -6.61735 47.29 HAL2 1287 0 0 0 0.09 1291 1289 H52 SLES 1 -28.1614 -7.73657 48.0042 HAL2 1287 0 0 0 0.09 1292 1290 C6 SLES 1 -27.4316 -6.49625 46.4991 CTL2 1287 1291 1292 1293 -0.18 1293 1291 H61 SLES 1 -28.116 -6.35973 45.6182 HAL2 1290 0 0 0 0.09 1294 1292 H62 SLES 1 -26.9192 -7.48197 46.3344 HAL2 1290 0 0 0 0.09 1295 1293 C7 SLES 1 -26.4043 -5.35969 46.5653 CTL2 1290 1294 1295 1296 -0.18 1296 1294 H71 SLES 1 -26.8571 -4.34348 46.6483 HAL2 1293 0 0 0 0.09 1297 1295 H72 SLES 1 -25.6456 -5.47988 47.3731 HAL2 1293 0 0 0 0.09 1298 1296 C8 SLES 1 -25.7738 -5.53652 45.2316 CTL2 1293 1297 1298 1299 -0.18 1299 1297 H81 SLES 1 -26.5989 -5.42435 44.4735 HAL2 1296 0 0 0 0.09 1300 1298 H82 SLES 1 -25.3621 -6.58565 45.2142 HAL2 1296 0 0 0 0.09 1301 1299 C9 SLES 1 -24.6693 -4.63893 44.7941 CTL2 1296 1300 1301 1302 -0.18 1302 1300 H91 SLES 1 -25.02 -3.58302 44.7665 HAL2 1299 0 0 0 0.09 1303 1301 H92 SLES 1 -23.8067 -4.72238 45.4927 HAL2 1299 0 0 0 0.09 1304 1302 C10 SLES 1 -24.3818 -5.21558 43.4095 CTL2 1299 1303 1304 1305 -0.18 1305 1303 H10 SLES 1 -25.3093 -5.17097 42.777 HAL2 1302 0 0 0 0.09 1306 1304 H10 SLES 1 -24.1048 -6.30134 43.498 HAL2 1302 0 0 0 0.09 1307 1305 C11 SLES 1 -23.2885 -4.53287 42.6538 CTL2 1302 1306 1307 1308 -0.18 1308 1306 H11 SLES 1 -23.5768 -3.46098 42.5489 HAL2 1305 0 0 0 0.09 1309 1307 H11 SLES 1 -22.365 -4.59783 43.2746 HAL2 1305 0 0 0 0.09 1310 1308 C12 SLES 1 -23.1127 -5.21273 41.293 CTL3 1305 1309 1310 1311 -0.27 1311 1309 H12 SLES 1 -23.3126 -4.48945 40.4788 HAL3 1308 0 0 0 0.09 1312 1310 H12 SLES 1 -22.0923 -5.63484 41.2088 HAL3 1308 0 0 0 0.09 1313 1311 H12 SLES 1 -23.8228 -6.0634 41.1466 HAL3 1308 0 0 0 0.09 1314 1312 NA SLES 1 -29.2646 -20.5273 60.8301 NA 0 0 0 0 1 1315 1313 S SLES 1 -30.0402 -22.077 58.3459 SL 1314 1315 1316 1317 1.33 1316 1314 OS1 SLES 1 -29.0549 -21.086 57.8809 OSL 1313 1318 0 0 -0.28 1317 1315 OS2 SLES 1 -30.8839 -21.0304 58.8783 O2L 1313 0 0 0 -0.65 1318 1316 OS3 SLES 1 -29.0871 -22.6302 59.2802 O2L 1313 0 0 0 -0.65 1319 1317 OS4 SLES 1 -30.4516 -22.8271 57.1927 O2L 1313 0 0 0 -0.65 1320 1318 C2 SLES 1 -28.5659 -20.9143 56.611 CC32A 1314 1319 1320 1321 -0.11 1321 1319 H2A SLES 1 -29.3948 -20.6686 55.8958 HCA2 1318 0 0 0 0.09 1322 1320 H2B SLES 1 -28.0242 -21.8332 56.2623 HCA2 1318 0 0 0 0.09 1323 1321 C1 SLES 1 -27.6038 -19.7208 56.7941 CC32A 1318 1322 1323 1324 -0.01 1324 1322 H1B SLES 1 -28.1513 -18.8193 57.1735 HCA2 1321 0 0 0 0.09 1325 1323 H1A SLES 1 -26.7884 -19.9741 57.5153 HCA2 1321 0 0 0 0.09 1326 1324 O1 SLES 1 -26.9104 -19.2448 55.6865 OC30A 1321 1325 0 0 -0.34 1327 1325 C2 SLES 1 -27.1415 -19.8715 54.438 CC32A 1324 1326 1327 1328 -0.01 1328 1326 H2A SLES 1 -28.2297 -19.7923 54.1534 HCA2 1325 0 0 0 0.09 1329 1327 H2B SLES 1 -26.8632 -20.9509 54.4693 HCA2 1325 0 0 0 0.09 1330 1328 C1 SLES 1 -26.2345 -18.7546 53.8049 CC32A 1325 1329 1330 1331 -0.01 1331 1329 H1B SLES 1 -27.0751 -18.4138 53.1861 HCA2 1328 0 0 0 0.09 1332 1330 H1A SLES 1 -25.5773 -19.6742 53.5932 HCA2 1328 0 0 0 0.09 1333 1331 O1 SLES 1 -25.2364 -18.1507 53.0232 OC30A 1328 1332 0 0 -0.34 1334 1332 C1 SLES 1 -25.249 -18.3848 51.6221 CTL2 1331 1333 1334 1335 -0.18 1335 1333 H11 SLES 1 -26.2445 -18.2659 51.11 HAL2 1332 0 0 0 0.09 1336 1334 H12 SLES 1 -24.8857 -19.4189 51.3963 HAL2 1332 0 0 0 0.09 1337 1335 C2 SLES 1 -24.2545 -17.3097 51.186 CTL2 1332 1336 1337 1338 -0.18 1338 1336 H21 SLES 1 -24.6242 -16.2689 51.3489 HAL2 1335 0 0 0 0.09 1339 1337 H22 SLES 1 -23.2523 -17.4184 51.6679 HAL2 1335 0 0 0 0.09 1340 1338 C3 SLES 1 -24.1175 -17.5551 49.7378 CTL2 1335 1339 1340 1341 -0.18 1341 1339 H31 SLES 1 -25.1557 -17.4321 49.3252 HAL2 1338 0 0 0 0.09 1342 1340 H32 SLES 1 -23.7502 -18.6154 49.6572 HAL2 1338 0 0 0 0.09 1343 1341 C4 SLES 1 -23.211 -16.7208 48.892 CTL2 1338 1342 1343 1344 -0.18 1344 1342 H41 SLES 1 -23.5107 -15.644 48.9137 HAL2 1341 0 0 0 0.09 1345 1343 H42 SLES 1 -22.1529 -16.7912 49.2375 HAL2 1341 0 0 0 0.09 1346 1344 C5 SLES 1 -23.475 -17.4126 47.5478 CTL2 1341 1345 1346 1347 -0.18 1347 1345 H51 SLES 1 -24.5672 -17.3719 47.2921 HAL2 1344 0 0 0 0.09 1348 1346 H52 SLES 1 -23.2247 -18.5042 47.6119 HAL2 1344 0 0 0 0.09 1349 1347 C6 SLES 1 -22.7582 -16.8935 46.3773 CTL2 1344 1348 1349 1350 -0.18 1350 1348 H61 SLES 1 -23.5447 -16.6282 45.6197 HAL2 1347 0 0 0 0.09 1351 1349 H62 SLES 1 -22.1984 -17.7636 45.9404 HAL2 1347 0 0 0 0.09 1352 1350 C7 SLES 1 -21.8137 -15.7085 46.6119 CTL2 1347 1351 1352 1353 -0.18 1353 1351 H71 SLES 1 -22.3258 -14.7848 46.9714 HAL2 1350 0 0 0 0.09 1354 1352 H72 SLES 1 -20.9628 -15.9344 47.2958 HAL2 1350 0 0 0 0.09 1355 1353 C8 SLES 1 -21.3252 -15.52 45.2215 CTL2 1350 1354 1355 1356 -0.18 1356 1354 H81 SLES 1 -22.2357 -15.3193 44.59 HAL2 1353 0 0 0 0.09 1357 1355 H82 SLES 1 -20.8442 -16.4943 44.9217 HAL2 1353 0 0 0 0.09 1358 1356 C9 SLES 1 -20.3435 -14.4461 44.9057 CTL2 1353 1357 1358 1359 -0.18 1359 1357 H91 SLES 1 -20.7695 -13.4493 45.1579 HAL2 1356 0 0 0 0.09 1360 1358 H92 SLES 1 -19.4044 -14.602 45.4827 HAL2 1356 0 0 0 0.09 1361 1359 C10 SLES 1 -20.172 -14.6665 43.4041 CTL2 1356 1360 1361 1362 -0.18 1362 1360 H10 SLES 1 -21.1652 -14.5694 42.888 HAL2 1359 0 0 0 0.09 1363 1361 H10 SLES 1 -19.81 -15.713 43.2107 HAL2 1359 0 0 0 0.09 1364 1362 C11 SLES 1 -19.2215 -13.7305 42.7312 CTL2 1359 1363 1364 1365 -0.18 1365 1363 H11 SLES 1 -19.5955 -12.6949 42.9066 HAL2 1362 0 0 0 0.09 1366 1364 H11 SLES 1 -18.2322 -13.8452 43.2317 HAL2 1362 0 0 0 0.09 1367 1365 C12 SLES 1 -19.1508 -14.067 41.239 CTL3 1362 1366 1367 1368 -0.27 1368 1366 H12 SLES 1 -19.4917 -13.2016 40.6382 HAL3 1365 0 0 0 0.09 1369 1367 H12 SLES 1 -18.1187 -14.3603 40.9647 HAL3 1365 0 0 0 0.09 1370 1368 H12 SLES 1 -19.8104 -14.9267 40.9642 HAL3 1365 0 0 0 0.09 1371 1369 NA SLES 1 -17.6156 -31.0353 60.8731 NA 0 0 0 0 1 1372 1370 S SLES 1 -18.7512 -32.2369 58.3352 SL 1371 1372 1373 1374 1.33 1373 1371 OS1 SLES 1 -17.9436 -31.0914 57.8826 OSL 1370 1375 0 0 -0.28 1374 1372 OS2 SLES 1 -19.5444 -31.3779 59.1858 O2L 1370 0 0 0 -0.65 1375 1373 OS3 SLES 1 -17.6002 -32.8351 58.9714 O2L 1370 0 0 0 -0.65 1376 1374 OS4 SLES 1 -19.3265 -32.8299 57.1608 O2L 1370 0 0 0 -0.65 1377 1375 C2 SLES 1 -17.7224 -30.6711 56.5959 CC32A 1371 1376 1377 1378 -0.11 1378 1376 H2A SLES 1 -18.6886 -30.3977 56.0953 HCA2 1375 0 0 0 0.09 1379 1377 H2B SLES 1 -17.1978 -31.4641 55.9997 HCA2 1375 0 0 0 0.09 1380 1378 C1 SLES 1 -16.8256 -29.4328 56.8104 CC32A 1375 1379 1380 1381 -0.01 1381 1379 H1B SLES 1 -17.3488 -28.6624 57.4343 HCA2 1378 0 0 0 0.09 1382 1380 H1A SLES 1 -15.8708 -29.716 57.3177 HCA2 1378 0 0 0 0.09 1383 1381 O1 SLES 1 -16.3934 -28.7194 55.6976 OC30A 1378 1382 0 0 -0.34 1384 1382 C2 SLES 1 -16.819 -29.158 54.4204 CC32A 1381 1383 1384 1385 -0.01 1385 1383 H2A SLES 1 -17.9445 -29.1427 54.3539 HCA2 1382 0 0 0 0.09 1386 1384 H2B SLES 1 -16.4678 -30.1955 54.2111 HCA2 1382 0 0 0 0.09 1387 1385 C1 SLES 1 -16.129 -27.8698 53.8412 CC32A 1382 1386 1387 1388 -0.01 1388 1386 H1B SLES 1 -17.0945 -27.5195 53.4529 HCA2 1385 0 0 0 0.09 1389 1387 H1A SLES 1 -15.4648 -28.6739 53.3568 HCA2 1385 0 0 0 0.09 1390 1388 O1 SLES 1 -15.3442 -27.0526 53.0117 OC30A 1385 1389 0 0 -0.34 1391 1389 C1 SLES 1 -15.6119 -27.0596 51.6167 CTL2 1388 1390 1391 1392 -0.18 1392 1390 H11 SLES 1 -16.6933 -26.9598 51.3204 HAL2 1389 0 0 0 0.09 1393 1391 H12 SLES 1 -15.2303 -28.0031 51.1512 HAL2 1389 0 0 0 0.09 1394 1392 C2 SLES 1 -14.7953 -25.8354 51.2052 CTL2 1389 1393 1394 1395 -0.18 1395 1393 H21 SLES 1 -15.1958 -24.8758 51.6121 HAL2 1392 0 0 0 0.09 1396 1394 H22 SLES 1 -13.7138 -25.9197 51.4728 HAL2 1392 0 0 0 0.09 1397 1395 C3 SLES 1 -14.925 -25.8311 49.7357 CTL2 1392 1396 1397 1398 -0.18 1398 1396 H31 SLES 1 -16.0293 -25.7473 49.5441 HAL2 1395 0 0 0 0.09 1399 1397 H32 SLES 1 -14.5096 -26.8231 49.4054 HAL2 1395 0 0 0 0.09 1400 1398 C4 SLES 1 -14.2577 -24.7865 48.9011 CTL2 1395 1399 1400 1401 -0.18 1401 1399 H41 SLES 1 -14.6194 -23.7621 49.165 HAL2 1398 0 0 0 0.09 1402 1400 H42 SLES 1 -13.1504 -24.8059 49.0334 HAL2 1398 0 0 0 0.09 1403 1401 C5 SLES 1 -14.7296 -25.2771 47.5257 CTL2 1398 1402 1403 1404 -0.18 1404 1402 H51 SLES 1 -15.8509 -25.3046 47.4811 HAL2 1401 0 0 0 0.09 1405 1403 H52 SLES 1 -14.3987 -26.3346 47.351 HAL2 1401 0 0 0 0.09 1406 1404 C6 SLES 1 -14.2896 -24.5089 46.3554 CTL2 1401 1405 1406 1407 -0.18 1407 1405 H61 SLES 1 -15.2239 -24.2052 45.8097 HAL2 1404 0 0 0 0.09 1408 1406 H62 SLES 1 -13.7675 -25.238 45.6791 HAL2 1404 0 0 0 0.09 1409 1407 C7 SLES 1 -13.3995 -23.2888 46.6214 CTL2 1404 1408 1409 1410 -0.18 1410 1408 H71 SLES 1 -13.8934 -22.49 47.2235 HAL2 1407 0 0 0 0.09 1411 1409 H72 SLES 1 -12.4191 -23.5357 47.0911 HAL2 1407 0 0 0 0.09 1412 1410 C8 SLES 1 -13.2032 -22.8329 45.221 CTL2 1407 1411 1412 1413 -0.18 1413 1411 H81 SLES 1 -14.2302 -22.6251 44.8083 HAL2 1410 0 0 0 0.09 1414 1412 H82 SLES 1 -12.7248 -23.694 44.6733 HAL2 1410 0 0 0 0.09 1415 1413 C9 SLES 1 -12.3758 -21.6302 44.9281 CTL2 1410 1414 1415 1416 -0.18 1416 1414 H91 SLES 1 -12.8111 -20.7339 45.4238 HAL2 1413 0 0 0 0.09 1417 1415 H92 SLES 1 -11.3344 -21.7824 45.2909 HAL2 1413 0 0 0 0.09 1418 1416 C10 SLES 1 -12.4838 -21.5895 43.4052 CTL2 1413 1417 1418 1419 -0.18 1419 1417 H10 SLES 1 -13.5623 -21.5101 43.1007 HAL2 1416 0 0 0 0.09 1420 1418 H10 SLES 1 -12.0964 -22.5504 42.9691 HAL2 1416 0 0 0 0.09 1421 1419 C11 SLES 1 -11.7468 -20.4682 42.7479 CTL2 1416 1420 1421 1422 -0.18 1422 1420 H11 SLES 1 -12.1487 -19.5163 43.1667 HAL2 1419 0 0 0 0.09 1423 1421 H11 SLES 1 -10.6738 -20.5627 43.0347 HAL2 1419 0 0 0 0.09 1424 1422 C12 SLES 1 -11.9437 -20.5531 41.2316 CTL3 1419 1423 1424 1425 -0.27 1425 1423 H12 SLES 1 -12.4519 -19.6408 40.8633 HAL3 1422 0 0 0 0.09 1426 1424 H12 SLES 1 -10.9669 -20.6948 40.7295 HAL3 1422 0 0 0 0.09 1427 1425 H12 SLES 1 -12.5845 -21.4188 40.9329 HAL3 1422 0 0 0 0.09 1428 1426 NA SLES 1 -2.68635 -35.8258 60.7003 NA 0 0 0 0 1 1429 1427 S SLES 1 -4.31011 -36.9537 58.4056 SL 1428 1429 1430 1431 1.33 1430 1428 OS1 SLES 1 -3.72286 -35.7104 57.8779 OSL 1427 1432 0 0 -0.28 1431 1429 OS2 SLES 1 -4.93526 -36.2312 59.4909 O2L 1427 0 0 0 -0.65 1432 1430 OS3 SLES 1 -2.99849 -37.4841 58.6982 O2L 1427 0 0 0 -0.65 1433 1431 OS4 SLES 1 -5.107 -37.517 57.3523 O2L 1427 0 0 0 -0.65 1434 1432 C2 SLES 1 -3.85112 -35.1856 56.6172 CC32A 1428 1433 1434 1435 -0.11 1435 1433 H2A SLES 1 -4.92723 -34.9698 56.384 HCA2 1432 0 0 0 0.09 1436 1434 H2B SLES 1 -3.42921 -35.8845 55.8471 HCA2 1432 0 0 0 0.09 1437 1435 C1 SLES 1 -3.02316 -33.8867 56.7224 CC32A 1432 1436 1437 1438 -0.01 1438 1436 H1B SLES 1 -3.43531 -33.212 57.5168 HCA2 1435 0 0 0 0.09 1439 1437 H1A SLES 1 -1.95577 -34.1137 56.9639 HCA2 1435 0 0 0 0.09 1440 1438 O1 SLES 1 -2.92688 -33.0629 55.606 OC30A 1435 1439 0 0 -0.34 1441 1439 C2 SLES 1 -3.61514 -33.4521 54.4314 CC32A 1438 1440 1441 1442 -0.01 1442 1440 H2A SLES 1 -4.72129 -33.5367 54.6333 HCA2 1439 0 0 0 0.09 1443 1441 H2B SLES 1 -3.24935 -34.4361 54.0552 HCA2 1439 0 0 0 0.09 1444 1442 C1 SLES 1 -3.18288 -32.0694 53.8214 CC32A 1439 1443 1444 1445 -0.01 1445 1443 H1B SLES 1 -4.23678 -31.7847 53.7034 HCA2 1442 0 0 0 0.09 1446 1444 H1A SLES 1 -2.59801 -32.7739 53.1257 HCA2 1442 0 0 0 0.09 1447 1445 O1 SLES 1 -2.68454 -31.1288 52.9054 OC30A 1442 1446 0 0 -0.34 1448 1446 C1 SLES 1 -3.28049 -31.0666 51.6174 CTL2 1445 1447 1448 1449 -0.18 1449 1447 H11 SLES 1 -4.40582 -31.0477 51.5938 HAL2 1446 0 0 0 0.09 1450 1448 H12 SLES 1 -2.95422 -31.9371 50.9943 HAL2 1446 0 0 0 0.09 1451 1449 C2 SLES 1 -2.68044 -29.747 51.1343 CTL2 1446 1450 1451 1452 -0.18 1452 1450 H21 SLES 1 -3.04041 -28.8583 51.7064 HAL2 1449 0 0 0 0.09 1453 1451 H22 SLES 1 -1.56315 -29.7485 51.1315 HAL2 1449 0 0 0 0.09 1454 1452 C3 SLES 1 -3.16164 -29.6556 49.7427 CTL2 1449 1453 1454 1455 -0.18 1455 1453 H31 SLES 1 -4.28265 -29.6619 49.8245 HAL2 1452 0 0 0 0.09 1456 1454 H32 SLES 1 -2.76645 -30.5804 49.2383 HAL2 1452 0 0 0 0.09 1457 1455 C4 SLES 1 -2.79511 -28.4998 48.8694 CTL2 1452 1456 1457 1458 -0.18 1458 1456 H41 SLES 1 -3.15688 -27.5335 49.2998 HAL2 1455 0 0 0 0.09 1459 1457 H42 SLES 1 -1.69042 -28.4253 48.7352 HAL2 1455 0 0 0 0.09 1460 1458 C5 SLES 1 -3.54811 -28.9382 47.6061 CTL2 1455 1459 1460 1461 -0.18 1461 1459 H51 SLES 1 -4.64169 -29.0665 47.8244 HAL2 1458 0 0 0 0.09 1462 1460 H52 SLES 1 -3.19215 -29.9463 47.2665 HAL2 1458 0 0 0 0.09 1463 1461 C6 SLES 1 -3.46224 -28.0555 46.4371 CTL2 1458 1462 1463 1464 -0.18 1464 1462 H61 SLES 1 -4.52058 -27.8036 46.1554 HAL2 1461 0 0 0 0.09 1465 1463 H62 SLES 1 -3.06691 -28.6857 45.5958 HAL2 1461 0 0 0 0.09 1466 1464 C7 SLES 1 -2.62694 -26.7788 46.5921 CTL2 1461 1465 1466 1467 -0.18 1467 1465 H71 SLES 1 -3.01812 -26.0716 47.3611 HAL2 1464 0 0 0 0.09 1468 1466 H72 SLES 1 -1.54657 -26.9649 46.7943 HAL2 1464 0 0 0 0.09 1469 1467 C8 SLES 1 -2.80942 -26.2133 45.2303 CTL2 1464 1468 1469 1470 -0.18 1470 1468 H81 SLES 1 -3.91817 -26.0743 45.0907 HAL2 1467 0 0 0 0.09 1471 1469 H82 SLES 1 -2.41542 -26.9875 44.5121 HAL2 1467 0 0 0 0.09 1472 1470 C9 SLES 1 -2.16863 -24.9221 44.8575 CTL2 1467 1471 1472 1473 -0.18 1473 1471 H91 SLES 1 -2.53614 -24.1054 45.5183 HAL2 1470 0 0 0 0.09 1474 1472 H92 SLES 1 -1.06214 -25.0012 44.9503 HAL2 1470 0 0 0 0.09 1475 1473 C10 SLES 1 -2.64449 -24.789 43.4123 CTL2 1470 1474 1475 1476 -0.18 1476 1474 H10 SLES 1 -3.76747 -24.7896 43.3784 HAL2 1473 0 0 0 0.09 1477 1475 H10 SLES 1 -2.3042 -25.6782 42.8149 HAL2 1473 0 0 0 0.09 1478 1476 C11 SLES 1 -2.17329 -23.5625 42.7009 CTL2 1473 1477 1478 1479 -0.18 1479 1477 H11 SLES 1 -2.53112 -22.6823 43.2844 HAL2 1476 0 0 0 0.09 1480 1478 H11 SLES 1 -1.05884 -23.5762 42.7179 HAL2 1476 0 0 0 0.09 1481 1479 C12 SLES 1 -2.72433 -23.5628 41.2722 CTL3 1476 1480 1481 1482 -0.27 1482 1480 H12 SLES 1 -3.37248 -22.6788 41.1152 HAL3 1479 0 0 0 0.09 1483 1481 H12 SLES 1 -1.8902 -23.5792 40.5439 HAL3 1479 0 0 0 0.09 1484 1482 H12 SLES 1 -3.35259 -24.4621 41.0579 HAL3 1479 0 0 0 0.09 1485 1483 NA SLES 1 12.8569 -34.0724 60.3416 NA 0 0 0 0 1 1486 1484 S SLES 1 10.8181 -35.4102 58.545 SL 1485 1486 1487 1488 1.33 1487 1485 OS1 SLES 1 11.1459 -34.1442 57.8676 OSL 1484 1489 0 0 -0.28 1488 1486 OS2 SLES 1 10.4219 -34.7006 59.7409 O2L 1484 0 0 0 -0.65 1489 1487 OS3 SLES 1 12.2021 -35.8229 58.5079 O2L 1484 0 0 0 -0.65 1490 1488 OS4 SLES 1 9.83642 -36.0738 57.734 O2L 1484 0 0 0 -0.65 1491 1489 C2 SLES 1 10.6635 -33.6781 56.6712 CC32A 1485 1490 1491 1492 -0.11 1492 1490 H2A SLES 1 9.54869 -33.5578 56.7118 HCA2 1489 0 0 0 0.09 1493 1491 H2B SLES 1 10.9398 -34.3689 55.831 HCA2 1489 0 0 0 0.09 1494 1492 C1 SLES 1 11.3759 -32.3142 56.5452 CC32A 1489 1493 1494 1495 -0.01 1495 1493 H1B SLES 1 11.1172 -31.6458 57.407 HCA2 1492 0 0 0 0.09 1496 1494 H1A SLES 1 12.4854 -32.4461 56.5151 HCA2 1492 0 0 0 0.09 1497 1495 O1 SLES 1 11.1201 -31.527 55.4276 OC30A 1492 1496 0 0 -0.34 1498 1496 C2 SLES 1 10.1981 -32.0129 54.4692 CC32A 1495 1497 1498 1499 -0.01 1499 1497 H2A SLES 1 9.18837 -32.1782 54.9432 HCA2 1496 0 0 0 0.09 1500 1498 H2B SLES 1 10.5428 -32.9776 54.0288 HCA2 1496 0 0 0 0.09 1501 1499 C1 SLES 1 10.3438 -30.6234 53.7488 CC32A 1496 1500 1501 1502 -0.01 1502 1500 H1B SLES 1 9.27306 -30.4285 53.8942 HCA2 1499 0 0 0 0.09 1503 1501 H1A SLES 1 10.7963 -31.304 52.9398 HCA2 1499 0 0 0 0.09 1504 1502 O1 SLES 1 10.5156 -29.6804 52.7225 OC30A 1499 1503 0 0 -0.34 1505 1503 C1 SLES 1 9.61531 -29.7135 51.6242 CTL2 1502 1504 1505 1506 -0.18 1506 1504 H11 SLES 1 8.52213 -29.7855 51.8831 HAL2 1503 0 0 0 0.09 1507 1505 H12 SLES 1 9.85074 -30.5774 50.9529 HAL2 1503 0 0 0 0.09 1508 1506 C2 SLES 1 9.95991 -28.3687 50.9855 CTL2 1503 1507 1508 1509 -0.18 1509 1507 H21 SLES 1 9.67775 -27.4913 51.6156 HAL2 1506 0 0 0 0.09 1510 1508 H22 SLES 1 11.0373 -28.281 50.7028 HAL2 1506 0 0 0 0.09 1511 1509 C3 SLES 1 9.1421 -28.3675 49.7577 CTL2 1506 1510 1511 1512 -0.18 1512 1510 H31 SLES 1 8.08142 -28.4604 50.1179 HAL2 1509 0 0 0 0.09 1513 1511 H32 SLES 1 9.47819 -29.2756 49.1849 HAL2 1509 0 0 0 0.09 1514 1512 C4 SLES 1 9.17866 -27.2189 48.8024 CTL2 1509 1513 1514 1515 -0.18 1515 1513 H41 SLES 1 8.85283 -26.2695 49.2946 HAL2 1512 0 0 0 0.09 1516 1514 H42 SLES 1 10.2047 -27.0614 48.3945 HAL2 1512 0 0 0 0.09 1517 1515 C5 SLES 1 8.17637 -27.7624 47.7752 CTL2 1512 1516 1517 1518 -0.18 1518 1516 H51 SLES 1 7.18665 -27.9696 48.2626 HAL2 1515 0 0 0 0.09 1519 1517 H52 SLES 1 8.52276 -28.7506 47.373 HAL2 1515 0 0 0 0.09 1520 1518 C6 SLES 1 7.89237 -26.9192 46.6083 CTL2 1515 1519 1520 1521 -0.18 1521 1519 H61 SLES 1 6.77951 -26.7633 46.5969 HAL2 1518 0 0 0 0.09 1522 1520 H62 SLES 1 8.11941 -27.5464 45.7047 HAL2 1518 0 0 0 0.09 1523 1521 C7 SLES 1 8.62615 -25.575 46.529 CTL2 1518 1522 1523 1524 -0.18 1524 1522 H71 SLES 1 8.37851 -24.8735 47.3604 HAL2 1521 0 0 0 0.09 1525 1523 H72 SLES 1 9.73483 -25.6665 46.4569 HAL2 1521 0 0 0 0.09 1526 1524 C8 SLES 1 8.06286 -25.0764 45.2478 CTL2 1521 1525 1526 1527 -0.18 1527 1525 H81 SLES 1 6.94645 -25.0317 45.3883 HAL2 1524 0 0 0 0.09 1528 1526 H82 SLES 1 8.33167 -25.8425 44.466 HAL2 1524 0 0 0 0.09 1529 1527 C9 SLES 1 8.47661 -23.7527 44.7061 CTL2 1524 1528 1529 1530 -0.18 1530 1528 H91 SLES 1 8.21545 -22.9443 45.4251 HAL2 1527 0 0 0 0.09 1531 1529 H92 SLES 1 9.57403 -23.7396 44.5198 HAL2 1527 0 0 0 0.09 1532 1530 C10 SLES 1 7.64703 -23.7114 43.4244 CTL2 1527 1531 1532 1533 -0.18 1533 1531 H10 SLES 1 6.55522 -23.803 43.673 HAL2 1530 0 0 0 0.09 1534 1532 H10 SLES 1 7.90396 -24.5919 42.7747 HAL2 1530 0 0 0 0.09 1535 1533 C11 SLES 1 7.81867 -22.4781 42.5985 CTL2 1530 1534 1535 1536 -0.18 1536 1534 H11 SLES 1 7.54212 -21.6085 43.2392 HAL2 1533 0 0 0 0.09 1537 1535 H11 SLES 1 8.89926 -22.402 42.3358 HAL2 1533 0 0 0 0.09 1538 1536 C12 SLES 1 6.93219 -22.5751 41.3537 CTL3 1533 1537 1538 1539 -0.27 1539 1537 H12 SLES 1 6.1913 -21.7521 41.3503 HAL3 1536 0 0 0 0.09 1540 1538 H12 SLES 1 7.55745 -22.5515 40.4399 HAL3 1536 0 0 0 0.09 1541 1539 H12 SLES 1 6.35073 -23.529 41.3178 HAL3 1536 0 0 0 0.09 1542 1540 NA SLES 1 26.2712 -26.1426 59.8591 NA 0 0 0 0 1 1543 1541 S SLES 1 24.0378 -27.8484 58.7294 SL 1542 1543 1544 1545 1.33 1544 1542 OS1 SLES 1 24.0899 -26.6655 57.8535 OSL 1541 1546 0 0 -0.28 1545 1543 OS2 SLES 1 23.8371 -27.0135 59.8926 O2L 1541 0 0 0 -0.65 1546 1544 OS3 SLES 1 25.416 -28.1653 58.4333 O2L 1541 0 0 0 -0.65 1547 1545 OS4 SLES 1 22.9758 -28.6817 58.2399 O2L 1541 0 0 0 -0.65 1548 1546 C2 SLES 1 23.322 -26.3993 56.7487 CC32A 1542 1547 1548 1549 -0.11 1549 1547 H2A SLES 1 22.2349 -26.3524 57.0221 HCA2 1546 0 0 0 0.09 1550 1548 H2B SLES 1 23.4798 -27.1761 55.9542 HCA2 1546 0 0 0 0.09 1551 1549 C1 SLES 1 23.8556 -25.0187 56.3096 CC32A 1546 1550 1551 1552 -0.01 1552 1550 H1B SLES 1 23.7217 -24.2599 57.1237 HCA2 1549 0 0 0 0.09 1553 1551 H1A SLES 1 24.9409 -25.0761 56.0488 HCA2 1549 0 0 0 0.09 1554 1552 O1 SLES 1 23.2935 -24.4088 55.1933 OC30A 1549 1553 0 0 -0.34 1555 1553 C2 SLES 1 22.2409 -25.0822 54.5273 CC32A 1552 1554 1555 1556 -0.01 1556 1554 H2A SLES 1 21.3756 -25.2519 55.23 HCA2 1553 0 0 0 0.09 1557 1555 H2B SLES 1 22.5765 -26.0712 54.1364 HCA2 1553 0 0 0 0.09 1558 1556 C1 SLES 1 22.0949 -23.7957 53.636 CC32A 1553 1557 1558 1559 -0.01 1559 1557 H1B SLES 1 21.0656 -23.6577 53.9924 HCA2 1556 0 0 0 0.09 1560 1558 H1A SLES 1 22.4296 -24.5459 52.8313 HCA2 1556 0 0 0 0.09 1561 1559 O1 SLES 1 21.9528 -22.9898 52.4948 OC30A 1556 1560 0 0 -0.34 1562 1560 C1 SLES 1 20.8478 -23.2329 51.6359 CTL2 1559 1561 1562 1563 -0.18 1563 1561 H11 SLES 1 19.8466 -23.3451 52.1382 HAL2 1560 0 0 0 0.09 1564 1562 H12 SLES 1 21.0184 -24.1609 51.0341 HAL2 1560 0 0 0 0.09 1565 1563 C2 SLES 1 20.9168 -21.9657 50.7846 CTL2 1560 1564 1565 1566 -0.18 1566 1564 H21 SLES 1 20.6908 -21.0331 51.3554 HAL2 1563 0 0 0 0.09 1567 1565 H22 SLES 1 21.8961 -21.8423 50.261 HAL2 1563 0 0 0 0.09 1568 1566 C3 SLES 1 19.8612 -22.1866 49.7781 CTL2 1563 1567 1568 1569 -0.18 1569 1567 H31 SLES 1 18.9152 -22.3036 50.3736 HAL2 1566 0 0 0 0.09 1570 1568 H32 SLES 1 20.1549 -23.138 49.2543 HAL2 1566 0 0 0 0.09 1571 1569 C4 SLES 1 19.5827 -21.1774 48.7118 CTL2 1566 1570 1571 1572 -0.18 1572 1570 H41 SLES 1 19.2779 -20.1953 49.1503 HAL2 1569 0 0 0 0.09 1573 1571 H42 SLES 1 20.4787 -21.0053 48.0703 HAL2 1569 0 0 0 0.09 1574 1572 C5 SLES 1 18.4431 -21.9225 48.0037 CTL2 1569 1573 1574 1575 -0.18 1575 1573 H51 SLES 1 17.6041 -22.1304 48.7198 HAL2 1572 0 0 0 0.09 1576 1574 H52 SLES 1 18.7908 -22.9294 47.6521 HAL2 1572 0 0 0 0.09 1577 1575 C6 SLES 1 17.8377 -21.2659 46.8394 CTL2 1572 1576 1577 1578 -0.18 1578 1576 H61 SLES 1 16.738 -21.1906 47.058 HAL2 1575 0 0 0 0.09 1579 1577 H62 SLES 1 17.9279 -21.9917 45.9871 HAL2 1575 0 0 0 0.09 1580 1578 C7 SLES 1 18.4038 -19.8969 46.4431 CTL2 1575 1579 1580 1581 -0.18 1581 1579 H71 SLES 1 18.2711 -19.1088 47.2214 HAL2 1578 0 0 0 0.09 1582 1580 H72 SLES 1 19.4756 -19.9201 46.1372 HAL2 1578 0 0 0 0.09 1583 1581 C8 SLES 1 17.5361 -19.6157 45.2703 CTL2 1578 1582 1583 1584 -0.18 1584 1582 H81 SLES 1 16.4759 -19.6301 45.6497 HAL2 1581 0 0 0 0.09 1585 1583 H82 SLES 1 17.7062 -20.4596 44.5428 HAL2 1581 0 0 0 0.09 1586 1584 C9 SLES 1 17.695 -18.3514 44.5 CTL2 1581 1585 1586 1587 -0.18 1587 1585 H91 SLES 1 17.5148 -17.4737 45.1602 HAL2 1584 0 0 0 0.09 1588 1586 H92 SLES 1 18.7214 -18.2874 44.074 HAL2 1584 0 0 0 0.09 1589 1587 C10 SLES 1 16.6126 -18.5408 43.4393 CTL2 1584 1588 1589 1590 -0.18 1590 1588 H10 SLES 1 15.6125 -18.6737 43.9336 HAL2 1587 0 0 0 0.09 1591 1589 H10 SLES 1 16.8103 -19.4808 42.8556 HAL2 1587 0 0 0 0.09 1592 1590 C11 SLES 1 16.4846 -17.421 42.4583 CTL2 1587 1591 1592 1593 -0.18 1593 1591 H11 SLES 1 16.267 -16.4944 43.0389 HAL2 1590 0 0 0 0.09 1594 1592 H11 SLES 1 17.4724 -17.3062 41.9547 HAL2 1590 0 0 0 0.09 1595 1593 C12 SLES 1 15.3682 -17.7461 41.4619 CTL3 1590 1594 1595 1596 -0.27 1596 1594 H12 SLES 1 14.567 -16.9845 41.528 HAL3 1593 0 0 0 0.09 1597 1595 H12 SLES 1 15.7802 -17.8024 40.4356 HAL3 1593 0 0 0 0.09 1598 1596 H12 SLES 1 14.8878 -18.7342 41.6675 HAL3 1593 0 0 0 0.09 1599 1597 NA SLES 1 35.2479 -13.4918 59.3361 NA 0 0 0 0 1 1600 1598 S SLES 1 33.0583 -15.5442 58.9267 SL 1599 1600 1601 1602 1.33 1601 1599 OS1 SLES 1 32.8715 -14.57 57.838 OSL 1598 1603 0 0 -0.28 1602 1600 OS2 SLES 1 32.9398 -14.5 59.9198 O2L 1598 0 0 0 -0.65 1603 1601 OS3 SLES 1 34.4065 -15.8214 58.4873 O2L 1598 0 0 0 -0.65 1604 1602 OS4 SLES 1 32.026 -16.5318 58.7826 O2L 1598 0 0 0 -0.65 1605 1603 C2 SLES 1 31.9352 -14.5937 56.8361 CC32A 1599 1604 1605 1606 -0.11 1606 1604 H2A SLES 1 30.8972 -14.5647 57.2612 HCA2 1603 0 0 0 0.09 1607 1605 H2B SLES 1 32.0569 -15.507 56.1952 HCA2 1603 0 0 0 0.09 1608 1606 C1 SLES 1 32.2639 -13.3025 56.0563 CC32A 1603 1607 1608 1609 -0.01 1609 1607 H1B SLES 1 32.1702 -12.4011 56.7159 HCA2 1606 0 0 0 0.09 1610 1608 H1A SLES 1 33.3028 -13.3392 55.6458 HCA2 1606 0 0 0 0.09 1611 1609 O1 SLES 1 31.4949 -12.9794 54.9434 OC30A 1606 1610 0 0 -0.34 1612 1610 C2 SLES 1 30.4316 -13.8472 54.5955 CC32A 1609 1611 1612 1613 -0.01 1613 1611 H2A SLES 1 29.6932 -13.9246 55.4442 HCA2 1610 0 0 0 0.09 1614 1612 H2B SLES 1 30.8055 -14.8709 54.3593 HCA2 1610 0 0 0 0.09 1615 1613 C1 SLES 1 30.0372 -12.7886 53.5025 CC32A 1610 1614 1615 1616 -0.01 1616 1614 H1B SLES 1 29.0588 -12.6496 53.9811 HCA2 1613 0 0 0 0.09 1617 1615 H1A SLES 1 30.3292 -13.666 52.8189 HCA2 1613 0 0 0 0.09 1618 1616 O1 SLES 1 29.6593 -12.2509 52.2615 OC30A 1613 1617 0 0 -0.34 1619 1617 C1 SLES 1 28.4751 -12.7429 51.6504 CTL2 1616 1618 1619 1620 -0.18 1620 1618 H11 SLES 1 27.5694 -12.8155 52.3149 HAL2 1617 0 0 0 0.09 1621 1619 H12 SLES 1 28.6511 -13.7625 51.2238 HAL2 1617 0 0 0 0.09 1622 1620 C2 SLES 1 28.3001 -11.6803 50.5664 CTL2 1617 1621 1622 1623 -0.18 1623 1621 H21 SLES 1 28.0647 -10.6665 50.9707 HAL2 1620 0 0 0 0.09 1624 1622 H22 SLES 1 29.1802 -11.6028 49.8824 HAL2 1620 0 0 0 0.09 1625 1623 C3 SLES 1 27.1419 -12.1781 49.8003 CTL2 1620 1624 1625 1626 -0.18 1626 1624 H31 SLES 1 26.3039 -12.232 50.5474 HAL2 1623 0 0 0 0.09 1627 1625 H32 SLES 1 27.4523 -13.1958 49.4346 HAL2 1623 0 0 0 0.09 1628 1626 C4 SLES 1 26.62 -11.4357 48.6131 CTL2 1623 1627 1628 1629 -0.18 1629 1627 H41 SLES 1 26.2837 -10.4067 48.892 HAL2 1626 0 0 0 0.09 1630 1628 H42 SLES 1 27.3968 -11.3411 47.8185 HAL2 1626 0 0 0 0.09 1631 1629 C5 SLES 1 25.4721 -12.3882 48.2521 CTL2 1626 1630 1631 1632 -0.18 1632 1630 H51 SLES 1 24.7653 -12.4983 49.1172 HAL2 1629 0 0 0 0.09 1633 1631 H52 SLES 1 25.8651 -13.4204 48.0556 HAL2 1629 0 0 0 0.09 1634 1632 C6 SLES 1 24.6492 -12.0325 47.0904 CTL2 1629 1633 1634 1635 -0.18 1635 1633 H61 SLES 1 23.5884 -11.9882 47.4588 HAL2 1632 0 0 0 0.09 1636 1634 H62 SLES 1 24.6912 -12.9128 46.3942 HAL2 1632 0 0 0 0.09 1637 1635 C7 SLES 1 25.0171 -10.7415 46.3492 CTL2 1632 1636 1637 1638 -0.18 1638 1636 H71 SLES 1 24.9167 -9.81888 46.9683 HAL2 1635 0 0 0 0.09 1639 1637 H72 SLES 1 26.033 -10.7551 45.8904 HAL2 1635 0 0 0 0.09 1640 1638 C8 SLES 1 23.9714 -10.7715 45.2941 CTL2 1635 1639 1640 1641 -0.18 1641 1639 H81 SLES 1 22.9808 -10.7784 45.8296 HAL2 1638 0 0 0 0.09 1642 1640 H82 SLES 1 24.1212 -11.7354 44.7293 HAL2 1638 0 0 0 0.09 1643 1641 C9 SLES 1 23.8965 -9.68865 44.275 CTL2 1638 1642 1643 1644 -0.18 1644 1642 H91 SLES 1 23.7242 -8.70655 44.7695 HAL2 1641 0 0 0 0.09 1645 1643 H92 SLES 1 24.8425 -9.64544 43.6898 HAL2 1641 0 0 0 0.09 1646 1644 C10 SLES 1 22.7013 -10.169 43.4544 CTL2 1641 1645 1646 1647 -0.18 1647 1645 H10 SLES 1 21.7975 -10.2632 44.1151 HAL2 1644 0 0 0 0.09 1648 1646 H10 SLES 1 22.9077 -11.1946 43.0435 HAL2 1644 0 0 0 0.09 1649 1647 C11 SLES 1 22.3286 -9.29059 42.3046 CTL2 1644 1648 1649 1650 -0.18 1650 1648 H11 SLES 1 22.1035 -8.28004 42.7183 HAL2 1647 0 0 0 0.09 1651 1649 H11 SLES 1 23.2207 -9.2167 41.6404 HAL2 1647 0 0 0 0.09 1652 1650 C12 SLES 1 21.1222 -9.89209 41.5783 CTL3 1647 1651 1652 1653 -0.27 1653 1651 H12 SLES 1 20.2669 -9.18994 41.6175 HAL3 1650 0 0 0 0.09 1654 1652 H12 SLES 1 21.3912 -10.1337 40.5316 HAL3 1650 0 0 0 0.09 1655 1653 H12 SLES 1 20.7747 -10.8457 42.0466 HAL3 1650 0 0 0 0.09 1656 1654 NA SLES 1 49.3873 1.64418 47.3182 NA 0 0 0 0 1 1657 1655 S SLES 1 47.5064 -0.607557 48.0705 SL 1656 1657 1658 1659 1.33 1658 1656 OS1 SLES 1 46.8673 0.0495181 46.9176 OSL 1655 1660 0 0 -0.28 1659 1657 OS2 SLES 1 47.5268 0.637759 48.805 O2L 1655 0 0 0 -0.65 1660 1658 OS3 SLES 1 48.694 -0.880562 47.2945 O2L 1655 0 0 0 -0.65 1661 1659 OS4 SLES 1 46.6367 -1.67631 48.4746 O2L 1655 0 0 0 -0.65 1662 1660 C2 SLES 1 45.6946 -0.293442 46.2944 CC32A 1656 1661 1662 1663 -0.11 1663 1661 H2A SLES 1 44.8331 -0.239842 47.0112 HCA2 1660 0 0 0 0.09 1664 1662 H2B SLES 1 45.7599 -1.32482 45.8568 HCA2 1660 0 0 0 0.09 1665 1663 C1 SLES 1 45.5852 0.785828 45.1959 CC32A 1660 1664 1665 1666 -0.01 1666 1664 H1B SLES 1 45.5536 1.81251 45.6445 HCA2 1663 0 0 0 0.09 1667 1665 H1A SLES 1 46.453 0.728524 44.4939 HCA2 1663 0 0 0 0.09 1668 1666 O1 SLES 1 44.4864 0.763312 44.3436 OC30A 1663 1667 0 0 -0.34 1669 1667 C2 SLES 1 43.5104 -0.242648 44.5438 CC32A 1666 1668 1669 1670 -0.01 1670 1668 H2A SLES 1 43.071 -0.164001 45.5793 HCA2 1667 0 0 0 0.09 1671 1669 H2B SLES 1 43.9482 -1.26114 44.4233 HCA2 1667 0 0 0 0.09 1672 1670 C1 SLES 1 42.6613 0.478817 43.4351 CC32A 1667 1671 1672 1673 -0.01 1673 1671 H1B SLES 1 41.8551 0.65649 44.159 HCA2 1670 0 0 0 0.09 1674 1672 H1A SLES 1 42.8697 -0.515444 42.8962 HCA2 1670 0 0 0 0.09 1675 1673 O1 SLES 1 41.8627 0.661847 42.2945 OC30A 1670 1674 0 0 -0.34 1676 1674 C1 SLES 1 40.6396 -0.0556061 42.2104 CTL2 1673 1675 1676 1677 -0.18 1677 1675 H11 SLES 1 39.9878 -0.0306716 43.128 HAL2 1674 0 0 0 0.09 1678 1676 H12 SLES 1 40.8345 -1.13244 41.9761 HAL2 1674 0 0 0 0.09 1679 1677 C2 SLES 1 39.9998 0.688909 41.0394 CTL2 1674 1678 1679 1680 -0.18 1680 1678 H21 SLES 1 39.7432 1.75006 41.2733 HAL2 1677 0 0 0 0.09 1681 1679 H22 SLES 1 40.6209 0.661981 40.111 HAL2 1677 0 0 0 0.09 1682 1680 C3 SLES 1 38.757 -0.0705721 40.805 CTL2 1677 1681 1682 1683 -0.18 1683 1681 H31 SLES 1 38.1905 -0.00200562 41.7734 HAL2 1680 0 0 0 0.09 1684 1682 H32 SLES 1 39.0964 -1.1202 40.5838 HAL2 1680 0 0 0 0.09 1685 1683 C4 SLES 1 37.8074 0.312422 39.7167 CTL2 1680 1684 1685 1686 -0.18 1686 1684 H41 SLES 1 37.4167 1.34952 39.8635 HAL2 1683 0 0 0 0.09 1687 1685 H42 SLES 1 38.2962 0.266707 38.7153 HAL2 1683 0 0 0 0.09 1688 1686 C5 SLES 1 36.7603 -0.785032 39.9497 CTL2 1683 1687 1688 1689 -0.18 1689 1687 H51 SLES 1 36.3604 -0.731426 40.9972 HAL2 1686 0 0 0 0.09 1690 1688 H52 SLES 1 37.229 -1.8004 39.8616 HAL2 1686 0 0 0 0.09 1691 1689 C6 SLES 1 35.5914 -0.792326 39.0625 CTL2 1686 1690 1691 1692 -0.18 1692 1690 H61 SLES 1 34.6896 -0.739757 39.7309 HAL2 1689 0 0 0 0.09 1693 1691 H62 SLES 1 35.5605 -1.81162 38.592 HAL2 1689 0 0 0 0.09 1694 1692 C7 SLES 1 35.5303 0.29928 37.9872 CTL2 1689 1693 1694 1695 -0.18 1695 1693 H71 SLES 1 35.4774 1.33595 38.396 HAL2 1692 0 0 0 0.09 1696 1694 H72 SLES 1 36.3589 0.250531 37.2431 HAL2 1692 0 0 0 0.09 1697 1695 C8 SLES 1 34.2398 -0.0712677 37.351 CTL2 1692 1696 1697 1698 -0.18 1698 1696 H81 SLES 1 33.4605 -0.0213796 38.1624 HAL2 1695 0 0 0 0.09 1699 1697 H82 SLES 1 34.3614 -1.13052 36.9854 HAL2 1695 0 0 0 0.09 1700 1698 C9 SLES 1 33.7105 0.716524 36.2038 CTL2 1695 1699 1700 1701 -0.18 1701 1699 H91 SLES 1 33.5444 1.77424 36.5077 HAL2 1698 0 0 0 0.09 1702 1700 H92 SLES 1 34.4277 0.685989 35.353 HAL2 1698 0 0 0 0.09 1703 1701 C10 SLES 1 32.4142 -0.0423176 35.9272 CTL2 1698 1702 1703 1704 -0.18 1704 1702 H10 SLES 1 31.7664 -0.0391775 36.8451 HAL2 1701 0 0 0 0.09 1705 1703 H10 SLES 1 32.6433 -1.11881 35.6988 HAL2 1701 0 0 0 0.09 1706 1704 C11 SLES 1 31.5962 0.492708 34.7971 CTL2 1701 1705 1706 1707 -0.18 1707 1705 H11 SLES 1 31.3524 1.55386 35.0372 HAL2 1704 0 0 0 0.09 1708 1706 H11 SLES 1 32.2349 0.468091 33.8839 HAL2 1704 0 0 0 0.09 1709 1707 C12 SLES 1 30.3348 -0.360704 34.6368 CTL3 1704 1708 1709 1710 -0.27 1710 1708 H12 SLES 1 29.4329 0.261463 34.7964 HAL3 1707 0 0 0 0.09 1711 1709 H12 SLES 1 30.3208 -0.832578 33.6351 HAL3 1707 0 0 0 0.09 1712 1710 H12 SLES 1 30.2855 -1.19245 35.3819 HAL3 1707 0 0 0 0.09 1713 1711 NA SLES 1 46.8651 16.4648 46.9638 NA 0 0 0 0 1 1714 1712 S SLES 1 45.2182 14.2439 48.2004 SL 1713 1714 1715 1716 1.33 1715 1713 OS1 SLES 1 44.5702 14.5197 46.9069 OSL 1712 1717 0 0 -0.28 1716 1714 OS2 SLES 1 45.0562 15.6219 48.6074 O2L 1712 0 0 0 -0.65 1717 1715 OS3 SLES 1 46.469 13.9424 47.5433 O2L 1712 0 0 0 -0.65 1718 1716 OS4 SLES 1 44.4569 13.204 48.8336 O2L 1712 0 0 0 -0.65 1719 1717 C2 SLES 1 43.4796 13.8937 46.3592 CC32A 1713 1718 1719 1720 -0.11 1720 1718 H2A SLES 1 42.5806 14.0104 47.0204 HCA2 1717 0 0 0 0.09 1721 1719 H2B SLES 1 43.6863 12.8037 46.1894 HCA2 1717 0 0 0 0.09 1722 1720 C1 SLES 1 43.3054 14.6548 45.0273 CC32A 1717 1721 1722 1723 -0.01 1723 1721 H1B SLES 1 43.1321 15.7471 45.2097 HCA2 1720 0 0 0 0.09 1724 1722 H1A SLES 1 44.2103 14.5389 44.3816 HCA2 1720 0 0 0 0.09 1725 1723 O1 SLES 1 42.2636 14.2914 44.1808 OC30A 1720 1724 0 0 -0.34 1726 1724 C2 SLES 1 41.4003 13.2496 44.5985 CC32A 1723 1725 1726 1727 -0.01 1727 1725 H2A SLES 1 40.9003 13.5197 45.5724 HCA2 1724 0 0 0 0.09 1728 1726 H2B SLES 1 41.9582 12.2947 44.7417 HCA2 1724 0 0 0 0.09 1729 1727 C1 SLES 1 40.5342 13.5718 43.3269 CC32A 1724 1728 1729 1730 -0.01 1730 1728 H1B SLES 1 39.6755 13.8166 43.966 HCA2 1727 0 0 0 0.09 1731 1729 H1A SLES 1 40.884 12.5111 43.0533 HCA2 1727 0 0 0 0.09 1732 1730 O1 SLES 1 39.7818 13.3743 42.1578 OC30A 1727 1731 0 0 -0.34 1733 1731 C1 SLES 1 38.6555 12.5112 42.2233 CTL2 1730 1732 1733 1734 -0.18 1734 1732 H11 SLES 1 37.9572 12.6747 43.091 HAL2 1731 0 0 0 0.09 1735 1733 H12 SLES 1 38.9851 11.4425 42.2647 HAL2 1731 0 0 0 0.09 1736 1734 C2 SLES 1 37.9977 12.8666 40.8906 CTL2 1731 1735 1736 1737 -0.18 1737 1735 H21 SLES 1 37.6087 13.9125 40.8512 HAL2 1734 0 0 0 0.09 1738 1736 H22 SLES 1 38.6664 12.6948 40.0122 HAL2 1734 0 0 0 0.09 1739 1737 C3 SLES 1 36.8647 11.9244 40.8203 CTL2 1734 1738 1739 1740 -0.18 1740 1738 H31 SLES 1 36.2433 12.1528 41.7286 HAL2 1737 0 0 0 0.09 1741 1739 H32 SLES 1 37.3338 10.9031 40.8712 HAL2 1737 0 0 0 0.09 1742 1740 C4 SLES 1 35.9367 11.9132 39.6492 CTL2 1737 1741 1742 1743 -0.18 1743 1741 H41 SLES 1 35.4221 12.8982 39.528 HAL2 1740 0 0 0 0.09 1744 1742 H42 SLES 1 36.4802 11.6892 38.7013 HAL2 1740 0 0 0 0.09 1745 1743 C5 SLES 1 35.0118 10.7824 40.1193 CTL2 1740 1744 1745 1746 -0.18 1746 1744 H51 SLES 1 34.5532 11.0361 41.1119 HAL2 1743 0 0 0 0.09 1747 1745 H52 SLES 1 35.5982 9.84214 40.2939 HAL2 1743 0 0 0 0.09 1748 1746 C6 SLES 1 33.9005 10.4165 39.2336 CTL2 1743 1747 1748 1749 -0.18 1749 1747 H61 SLES 1 32.9642 10.5156 39.8471 HAL2 1746 0 0 0 0.09 1750 1748 H62 SLES 1 34.0121 9.3183 39.0267 HAL2 1746 0 0 0 0.09 1751 1749 C7 SLES 1 33.7716 11.2012 37.9224 CTL2 1746 1750 1751 1752 -0.18 1752 1750 H71 SLES 1 33.5781 12.2908 38.0632 HAL2 1749 0 0 0 0.09 1753 1751 H72 SLES 1 34.6388 11.0785 37.2327 HAL2 1749 0 0 0 0.09 1754 1752 C8 SLES 1 32.568 10.5308 37.3661 CTL2 1749 1753 1754 1755 -0.18 1755 1753 H81 SLES 1 31.746 10.6769 38.1218 HAL2 1752 0 0 0 0.09 1756 1754 H82 SLES 1 32.8299 9.43835 37.2743 HAL2 1752 0 0 0 0.09 1757 1755 C9 SLES 1 32.0135 10.9474 36.0486 CTL2 1752 1756 1757 1758 -0.18 1758 1756 H91 SLES 1 31.711 12.018 36.0799 HAL2 1755 0 0 0 0.09 1759 1757 H92 SLES 1 32.7738 10.8027 35.2484 HAL2 1755 0 0 0 0.09 1760 1758 C10 SLES 1 30.8297 9.989 35.9358 CTL2 1755 1759 1760 1761 -0.18 1761 1759 H10 SLES 1 30.1379 10.1321 36.8094 HAL2 1758 0 0 0 0.09 1762 1760 H10 SLES 1 31.1929 8.92633 35.9838 HAL2 1758 0 0 0 0.09 1763 1761 C11 SLES 1 30.0169 10.1304 34.6901 CTL2 1758 1762 1763 1764 -0.18 1764 1762 H11 SLES 1 29.6404 11.1793 34.6568 HAL2 1761 0 0 0 0.09 1765 1763 H11 SLES 1 30.702 9.96668 33.8262 HAL2 1761 0 0 0 0.09 1766 1764 C12 SLES 1 28.8724 9.11335 34.7142 CTL3 1761 1765 1766 1767 -0.27 1767 1765 H12 SLES 1 27.8977 9.63834 34.695 HAL3 1764 0 0 0 0.09 1768 1766 H12 SLES 1 28.9662 8.41646 33.8586 HAL3 1764 0 0 0 0.09 1769 1767 H12 SLES 1 28.8794 8.4857 35.6391 HAL3 1764 0 0 0 0.09 1770 1768 NA SLES 1 39.964 29.7702 46.7412 NA 0 0 0 0 1 1771 1769 S SLES 1 38.4233 27.6646 48.2796 SL 1770 1771 1772 1773 1.33 1772 1770 OS1 SLES 1 37.9162 27.5714 46.8999 OSL 1769 1774 0 0 -0.28 1773 1771 OS2 SLES 1 38.0648 29.0637 48.3469 O2L 1769 0 0 0 -0.65 1774 1772 OS3 SLES 1 39.7715 27.3985 47.8337 O2L 1769 0 0 0 -0.65 1775 1773 OS4 SLES 1 37.7048 26.6914 49.0533 O2L 1769 0 0 0 -0.65 1776 1774 C2 SLES 1 36.9761 26.7048 46.4034 CC32A 1770 1775 1776 1777 -0.11 1777 1775 H2A SLES 1 35.9943 26.8393 46.9296 HCA2 1774 0 0 0 0.09 1778 1776 H2B SLES 1 37.3181 25.6408 46.5053 HCA2 1774 0 0 0 0.09 1779 1777 C1 SLES 1 36.8891 27.1361 44.9235 CC32A 1774 1778 1779 1780 -0.01 1780 1778 H1B SLES 1 36.5782 28.2095 44.8366 HCA2 1777 0 0 0 0.09 1781 1779 H1A SLES 1 37.8748 27.0065 44.4127 HCA2 1777 0 0 0 0.09 1782 1780 O1 SLES 1 36.0063 26.4668 44.0828 OC30A 1777 1781 0 0 -0.34 1783 1781 C2 SLES 1 35.2144 25.4327 44.6381 CC32A 1780 1782 1783 1784 -0.01 1784 1782 H2A SLES 1 34.5705 25.8347 45.4719 HCA2 1781 0 0 0 0.09 1785 1783 H2B SLES 1 35.8492 24.6123 45.0474 HCA2 1781 0 0 0 0.09 1786 1784 C1 SLES 1 34.4845 25.3603 43.2478 CC32A 1781 1785 1786 1787 -0.01 1787 1785 H1B SLES 1 33.5314 25.6194 43.7276 HCA2 1784 0 0 0 0.09 1788 1786 H1A SLES 1 34.9775 24.3214 43.2566 HCA2 1784 0 0 0 0.09 1789 1787 O1 SLES 1 33.9097 24.8215 42.0854 OC30A 1784 1788 0 0 -0.34 1790 1788 C1 SLES 1 32.8831 23.8507 42.2332 CTL2 1787 1789 1790 1791 -0.18 1791 1789 H11 SLES 1 32.0684 24.1009 42.9687 HAL2 1788 0 0 0 0.09 1792 1790 H12 SLES 1 33.3177 22.8684 42.5471 HAL2 1788 0 0 0 0.09 1793 1791 C2 SLES 1 32.3627 23.8251 40.7967 CTL2 1788 1792 1793 1794 -0.18 1794 1792 H21 SLES 1 31.8717 24.7779 40.484 HAL2 1791 0 0 0 0.09 1795 1793 H22 SLES 1 33.1505 23.5607 40.0498 HAL2 1791 0 0 0 0.09 1796 1794 C3 SLES 1 31.3551 22.7481 40.83 CTL2 1791 1795 1796 1797 -0.18 1797 1795 H31 SLES 1 30.6041 23.0798 41.5977 HAL2 1794 0 0 0 0.09 1798 1796 H32 SLES 1 31.921 21.832 41.1562 HAL2 1794 0 0 0 0.09 1799 1797 C4 SLES 1 30.5873 22.366 39.6063 CTL2 1794 1798 1799 1800 -0.18 1800 1798 H41 SLES 1 29.9892 23.226 39.2159 HAL2 1797 0 0 0 0.09 1801 1799 H42 SLES 1 31.2659 22.0198 38.7917 HAL2 1797 0 0 0 0.09 1802 1800 C5 SLES 1 29.7376 21.2486 40.2265 CTL2 1797 1801 1802 1803 -0.18 1803 1801 H51 SLES 1 29.134 21.6443 41.0862 HAL2 1800 0 0 0 0.09 1804 1802 H52 SLES 1 30.395 20.4528 40.6657 HAL2 1800 0 0 0 0.09 1805 1803 C6 SLES 1 28.7914 20.5595 39.3415 CTL2 1800 1804 1805 1806 -0.18 1806 1804 H61 SLES 1 27.7807 20.6618 39.8219 HAL2 1803 0 0 0 0.09 1807 1805 H62 SLES 1 29.0451 19.467 39.4 HAL2 1803 0 0 0 0.09 1808 1806 C7 SLES 1 28.744 21.0239 37.8809 CTL2 1803 1807 1808 1809 -0.18 1809 1807 H71 SLES 1 28.4187 22.0832 37.7522 HAL2 1806 0 0 0 0.09 1810 1808 H72 SLES 1 29.6987 20.8733 37.3253 HAL2 1806 0 0 0 0.09 1811 1809 C8 SLES 1 27.6983 20.0976 37.3749 CTL2 1806 1810 1811 1812 -0.18 1812 1810 H81 SLES 1 26.7774 20.2908 37.9936 HAL2 1809 0 0 0 0.09 1813 1811 H82 SLES 1 28.0852 19.055 37.5584 HAL2 1809 0 0 0 0.09 1814 1812 C9 SLES 1 27.2713 20.1481 35.9494 CTL2 1809 1813 1814 1815 -0.18 1815 1813 H91 SLES 1 26.8542 21.1513 35.7082 HAL2 1812 0 0 0 0.09 1816 1814 H92 SLES 1 28.1367 19.9387 35.2813 HAL2 1812 0 0 0 0.09 1817 1815 C10 SLES 1 26.2206 19.0397 35.9403 CTL2 1812 1816 1817 1818 -0.18 1818 1816 H10 SLES 1 25.4137 19.2722 36.6867 HAL2 1815 0 0 0 0.09 1819 1817 H10 SLES 1 26.6868 18.069 36.2625 HAL2 1815 0 0 0 0.09 1820 1818 C11 SLES 1 25.5594 18.8048 34.6211 CTL2 1815 1819 1820 1821 -0.18 1821 1819 H11 SLES 1 25.0797 19.7635 34.315 HAL2 1818 0 0 0 0.09 1822 1820 H11 SLES 1 26.3607 18.5534 33.8881 HAL2 1818 0 0 0 0.09 1823 1821 C12 SLES 1 24.5367 17.6738 34.7618 CTL3 1818 1822 1823 1824 -0.27 1824 1822 H12 SLES 1 23.5213 18.0492 34.5288 HAL3 1821 0 0 0 0.09 1825 1823 H12 SLES 1 24.8108 16.8299 34.0991 HAL3 1821 0 0 0 0.09 1826 1824 H12 SLES 1 24.4953 17.2633 35.8006 HAL3 1821 0 0 0 0.09 1827 1825 NA SLES 1 29.358 40.3289 46.6723 NA 0 0 0 0 1 1828 1826 S SLES 1 27.7881 38.3139 48.3002 SL 1827 1828 1829 1830 1.33 1829 1827 OS1 SLES 1 27.5568 37.9291 46.8975 OSL 1826 1831 0 0 -0.28 1830 1828 OS2 SLES 1 27.2794 39.6439 48.0489 O2L 1826 0 0 0 -0.65 1831 1829 OS3 SLES 1 29.2157 38.1633 48.1372 O2L 1826 0 0 0 -0.65 1832 1830 OS4 SLES 1 27.0448 37.3921 49.1123 O2L 1826 0 0 0 -0.65 1833 1831 C2 SLES 1 26.82 36.8742 46.4226 CC32A 1827 1832 1833 1834 -0.11 1834 1832 H2A SLES 1 25.7494 36.9588 46.7476 HCA2 1831 0 0 0 0.09 1835 1833 H2B SLES 1 27.2465 35.8971 46.7735 HCA2 1831 0 0 0 0.09 1836 1834 C1 SLES 1 26.963 37.0424 44.8946 CC32A 1831 1835 1836 1837 -0.01 1837 1835 H1B SLES 1 26.5632 38.0351 44.5616 HCA2 1834 0 0 0 0.09 1838 1836 H1A SLES 1 28.034 36.9655 44.5843 HCA2 1834 0 0 0 0.09 1839 1837 O1 SLES 1 26.3251 36.1317 44.0592 OC30A 1834 1838 0 0 -0.34 1840 1838 C2 SLES 1 25.5567 35.1047 44.6588 CC32A 1837 1839 1840 1841 -0.01 1841 1839 H2A SLES 1 24.7316 35.5467 45.2877 HCA2 1838 0 0 0 0.09 1842 1840 H2B SLES 1 26.1871 34.4555 45.3104 HCA2 1838 0 0 0 0.09 1843 1841 C1 SLES 1 25.1073 34.7084 43.2056 CC32A 1838 1842 1843 1844 -0.01 1844 1842 H1B SLES 1 24.0603 34.911 43.4672 HCA2 1841 0 0 0 0.09 1845 1843 H1A SLES 1 25.6959 33.7612 43.4862 HCA2 1841 0 0 0 0.09 1846 1844 O1 SLES 1 24.8162 33.9144 42.0845 OC30A 1841 1845 0 0 -0.34 1847 1845 C1 SLES 1 23.887 32.8511 42.2392 CTL2 1844 1846 1847 1848 -0.18 1848 1846 H11 SLES 1 22.929 33.1055 42.7729 HAL2 1845 0 0 0 0.09 1849 1847 H12 SLES 1 24.3563 32.001 42.7956 HAL2 1845 0 0 0 0.09 1850 1848 C2 SLES 1 23.646 32.5212 40.7668 CTL2 1845 1849 1850 1851 -0.18 1851 1849 H21 SLES 1 23.1244 33.335 40.2079 HAL2 1848 0 0 0 0.09 1852 1850 H22 SLES 1 24.5812 32.2474 40.2202 HAL2 1848 0 0 0 0.09 1853 1851 C3 SLES 1 22.7675 31.338 40.8333 CTL2 1848 1852 1853 1854 -0.18 1854 1852 H31 SLES 1 21.8574 31.6859 41.3936 HAL2 1851 0 0 0 0.09 1855 1853 H32 SLES 1 23.3559 30.5724 41.4107 HAL2 1851 0 0 0 0.09 1856 1854 C4 SLES 1 22.2827 30.661 39.5924 CTL2 1851 1855 1856 1857 -0.18 1857 1855 H41 SLES 1 21.6805 31.3569 38.9577 HAL2 1854 0 0 0 0.09 1858 1856 H42 SLES 1 23.1322 30.2814 38.9775 HAL2 1854 0 0 0 0.09 1859 1857 C5 SLES 1 21.4545 29.5554 40.2609 CTL2 1854 1858 1859 1860 -0.18 1860 1858 H51 SLES 1 20.6647 30.0008 40.9226 HAL2 1857 0 0 0 0.09 1861 1859 H52 SLES 1 22.099 28.9382 40.9407 HAL2 1857 0 0 0 0.09 1862 1860 C6 SLES 1 20.765 28.6096 39.3759 CTL2 1857 1861 1862 1863 -0.18 1863 1861 H61 SLES 1 19.6779 28.6514 39.6575 HAL2 1860 0 0 0 0.09 1864 1862 H62 SLES 1 21.1161 27.5857 39.6755 HAL2 1860 0 0 0 0.09 1865 1863 C7 SLES 1 20.9396 28.8186 37.8668 CTL2 1860 1864 1865 1866 -0.18 1866 1864 H71 SLES 1 20.5348 29.7889 37.4936 HAL2 1863 0 0 0 0.09 1867 1865 H72 SLES 1 21.9908 28.7098 37.5119 HAL2 1863 0 0 0 0.09 1868 1866 C8 SLES 1 20.1076 27.6895 37.3765 CTL2 1863 1867 1868 1869 -0.18 1869 1867 H81 SLES 1 19.0733 27.8548 37.7902 HAL2 1866 0 0 0 0.09 1870 1868 H82 SLES 1 20.5607 26.7528 37.8099 HAL2 1866 0 0 0 0.09 1871 1869 C9 SLES 1 19.9479 27.4484 35.916 CTL2 1866 1870 1871 1872 -0.18 1872 1870 H91 SLES 1 19.4801 28.3331 35.4291 HAL2 1869 0 0 0 0.09 1873 1871 H92 SLES 1 20.9388 27.2517 35.4483 HAL2 1869 0 0 0 0.09 1874 1872 C10 SLES 1 19.0384 26.2217 35.9401 CTL2 1869 1873 1874 1875 -0.18 1875 1873 H10 SLES 1 18.0879 26.4617 36.4889 HAL2 1872 0 0 0 0.09 1876 1874 H10 SLES 1 19.5359 25.3886 36.5075 HAL2 1872 0 0 0 0.09 1877 1875 C11 SLES 1 18.6601 25.6875 34.597 CTL2 1872 1876 1877 1878 -0.18 1878 1876 H11 SLES 1 18.1476 26.5096 34.0451 HAL2 1875 0 0 0 0.09 1879 1877 H11 SLES 1 19.6046 25.4305 34.0637 HAL2 1875 0 0 0 0.09 1880 1878 C12 SLES 1 17.7526 24.4669 34.7749 CTL3 1875 1879 1880 1881 -0.27 1881 1879 H12 SLES 1 16.7641 24.6585 34.3142 HAL3 1878 0 0 0 0.09 1882 1880 H12 SLES 1 18.2308 23.571 34.3331 HAL3 1878 0 0 0 0.09 1883 1881 H12 SLES 1 17.5634 24.2297 35.8507 HAL3 1878 0 0 0 0.09 1884 1882 NA SLES 1 16.0421 47.1637 46.7639 NA 0 0 0 0 1 1885 1883 S SLES 1 14.3706 45.1287 48.2603 SL 1884 1885 1886 1887 1.33 1886 1884 OS1 SLES 1 14.5047 44.5807 46.8998 OSL 1883 1888 0 0 -0.28 1887 1885 OS2 SLES 1 13.7921 46.3485 47.7426 O2L 1883 0 0 0 -0.65 1888 1886 OS3 SLES 1 15.8059 45.1528 48.4241 O2L 1883 0 0 0 -0.65 1889 1887 OS4 SLES 1 13.5664 44.2009 49.0049 O2L 1883 0 0 0 -0.65 1890 1888 C2 SLES 1 14.0118 43.3961 46.4151 CC32A 1884 1889 1890 1891 -0.11 1891 1889 H2A SLES 1 12.8927 43.37 46.4922 HCA2 1888 0 0 0 0.09 1892 1890 H2B SLES 1 14.4503 42.5233 46.9677 HCA2 1888 0 0 0 0.09 1893 1891 C1 SLES 1 14.4773 43.4308 44.9434 CC32A 1888 1892 1893 1894 -0.01 1894 1892 H1B SLES 1 14.0589 44.3245 44.4117 HCA2 1891 0 0 0 0.09 1895 1893 H1A SLES 1 15.5926 43.4661 44.8796 HCA2 1891 0 0 0 0.09 1896 1894 O1 SLES 1 14.146 42.3662 44.1121 OC30A 1891 1895 0 0 -0.34 1897 1895 C2 SLES 1 13.3768 41.3106 44.6586 CC32A 1894 1896 1897 1898 -0.01 1898 1896 H2A SLES 1 12.3885 41.6992 45.0377 HCA2 1895 0 0 0 0.09 1899 1897 H2B SLES 1 13.9097 40.8176 45.5051 HCA2 1895 0 0 0 0.09 1900 1898 C1 SLES 1 13.3124 40.7174 43.2043 CC32A 1895 1899 1900 1901 -0.01 1901 1899 H1B SLES 1 12.2179 40.8046 43.2103 HCA2 1898 0 0 0 0.09 1902 1900 H1A SLES 1 13.9205 39.8886 43.7195 HCA2 1898 0 0 0 0.09 1903 1901 O1 SLES 1 13.3689 39.7857 42.1552 OC30A 1898 1902 0 0 -0.34 1904 1902 C1 SLES 1 12.5484 38.6292 42.2408 CTL2 1901 1903 1904 1905 -0.18 1905 1903 H11 SLES 1 11.473 38.806 42.523 HAL2 1902 0 0 0 0.09 1906 1904 H12 SLES 1 12.9683 37.9075 42.9859 HAL2 1902 0 0 0 0.09 1907 1905 C2 SLES 1 12.683 38.1274 40.8038 CTL2 1902 1906 1907 1908 -0.18 1908 1906 H21 SLES 1 12.2169 38.8062 40.0497 HAL2 1905 0 0 0 0.09 1909 1907 H22 SLES 1 13.7413 37.9272 40.5068 HAL2 1905 0 0 0 0.09 1910 1908 C3 SLES 1 11.9443 36.8507 40.8297 CTL2 1905 1909 1910 1911 -0.18 1911 1909 H31 SLES 1 10.8992 37.1286 41.1361 HAL2 1908 0 0 0 0.09 1912 1910 H32 SLES 1 12.4658 36.2301 41.6099 HAL2 1908 0 0 0 0.09 1913 1911 C4 SLES 1 11.8278 35.997 39.6088 CTL2 1908 1912 1913 1914 -0.18 1914 1912 H41 SLES 1 11.3134 36.5414 38.7789 HAL2 1911 0 0 0 0.09 1915 1913 H42 SLES 1 12.8299 35.6745 39.2405 HAL2 1911 0 0 0 0.09 1916 1914 C5 SLES 1 10.9935 34.8627 40.2191 CTL2 1911 1915 1916 1917 -0.18 1917 1915 H51 SLES 1 10.0316 35.2626 40.6371 HAL2 1914 0 0 0 0.09 1918 1916 H52 SLES 1 11.5302 34.4059 41.0918 HAL2 1914 0 0 0 0.09 1919 1917 C6 SLES 1 10.6273 33.7517 39.3332 CTL2 1914 1918 1919 1920 -0.18 1920 1918 H61 SLES 1 9.50658 33.6769 39.3702 HAL2 1917 0 0 0 0.09 1921 1919 H62 SLES 1 11.0094 32.8177 39.826 HAL2 1917 0 0 0 0.09 1922 1920 C7 SLES 1 11.1147 33.8327 37.8815 CTL2 1917 1921 1922 1923 -0.18 1923 1921 H71 SLES 1 10.703 34.6996 37.3126 HAL2 1920 0 0 0 0.09 1924 1922 H72 SLES 1 12.2243 33.8295 37.7743 HAL2 1920 0 0 0 0.09 1925 1923 C8 SLES 1 10.541 32.5608 37.3709 CTL2 1920 1924 1925 1926 -0.18 1926 1924 H81 SLES 1 9.42846 32.6278 37.5317 HAL2 1923 0 0 0 0.09 1927 1925 H82 SLES 1 10.9823 31.7394 38.0041 HAL2 1923 0 0 0 0.09 1928 1926 C9 SLES 1 10.7422 32.1584 35.9516 CTL2 1923 1927 1928 1929 -0.18 1929 1927 H91 SLES 1 10.3042 32.9214 35.2698 HAL2 1926 0 0 0 0.09 1930 1928 H92 SLES 1 11.8283 32.0494 35.7332 HAL2 1926 0 0 0 0.09 1931 1929 C10 SLES 1 9.98772 30.8306 35.9352 CTL2 1926 1930 1931 1932 -0.18 1932 1930 H10 SLES 1 8.9177 30.9956 36.2354 HAL2 1929 0 0 0 0.09 1933 1931 H10 SLES 1 10.4306 30.1304 36.6949 HAL2 1929 0 0 0 0.09 1934 1932 C11 SLES 1 9.98206 30.1217 34.62 CTL2 1929 1933 1934 1935 -0.18 1935 1933 H11 SLES 1 9.52232 30.8107 33.8736 HAL2 1932 0 0 0 0.09 1936 1934 H11 SLES 1 11.0445 29.9407 34.3357 HAL2 1932 0 0 0 0.09 1937 1935 C12 SLES 1 9.19418 28.8153 34.7524 CTL3 1932 1936 1937 1938 -0.27 1938 1936 H12 SLES 1 8.3206 28.8284 34.0721 HAL3 1935 0 0 0 0.09 1939 1937 H12 SLES 1 9.85308 27.9515 34.5377 HAL3 1935 0 0 0 0.09 1940 1938 H12 SLES 1 8.79347 28.6621 35.7845 HAL3 1935 0 0 0 0.09 1941 1939 NA SLES 1 1.2519 49.6261 47.007 NA 0 0 0 0 1 1942 1940 S SLES 1 -0.48998 47.4348 48.1638 SL 1941 1942 1943 1944 1.33 1943 1941 OS1 SLES 1 0.0356554 46.8758 46.9066 OSL 1940 1945 0 0 -0.28 1944 1942 OS2 SLES 1 -1.06018 48.5605 47.4579 O2L 1940 0 0 0 -0.65 1945 1943 OS3 SLES 1 0.848698 47.6413 48.6664 O2L 1940 0 0 0 -0.65 1946 1944 OS4 SLES 1 -1.34 46.4319 48.7414 O2L 1940 0 0 0 -0.65 1947 1945 C2 SLES 1 -0.183811 45.6279 46.3814 CC32A 1941 1946 1947 1948 -0.11 1948 1946 H2A SLES 1 -1.27696 45.4645 46.1884 HCA2 1945 0 0 0 0.09 1949 1947 H2B SLES 1 0.203164 44.8298 47.069 HCA2 1945 0 0 0 0.09 1950 1948 C1 SLES 1 0.621073 45.6855 45.0652 CC32A 1945 1949 1950 1951 -0.01 1951 1949 H1B SLES 1 0.245908 46.5072 44.4016 HCA2 1948 0 0 0 0.09 1952 1950 H1A SLES 1 1.7063 45.8578 45.2696 HCA2 1948 0 0 0 0.09 1953 1951 O1 SLES 1 0.6284 44.5686 44.2365 OC30A 1948 1952 0 0 -0.34 1954 1952 C2 SLES 1 -0.124691 43.4385 44.6374 CC32A 1951 1953 1954 1955 -0.01 1955 1953 H2A SLES 1 -1.21367 43.71 44.7466 HCA2 1952 0 0 0 0.09 1956 1954 H2B SLES 1 0.23748 43.0359 45.6122 HCA2 1952 0 0 0 0.09 1957 1955 C1 SLES 1 0.238069 42.8078 43.2441 CC32A 1952 1956 1957 1958 -0.01 1958 1956 H1B SLES 1 -0.827066 42.7582 42.982 HCA2 1955 0 0 0 0.09 1959 1957 H1A SLES 1 0.792486 42.0735 43.9338 HCA2 1955 0 0 0 0.09 1960 1958 O1 SLES 1 0.656792 41.8658 42.2905 OC30A 1955 1959 0 0 -0.34 1961 1959 C1 SLES 1 -0.0211082 40.6186 42.2378 CTL2 1958 1960 1961 1962 -0.18 1962 1960 H11 SLES 1 -1.1458 40.6666 42.2433 HAL2 1959 0 0 0 0.09 1963 1961 H12 SLES 1 0.28348 39.9725 43.0994 HAL2 1959 0 0 0 0.09 1964 1962 C2 SLES 1 0.518503 40.1036 40.9042 CTL2 1959 1963 1964 1965 -0.18 1965 1963 H21 SLES 1 0.176663 40.701 40.0251 HAL2 1962 0 0 0 0.09 1966 1964 H22 SLES 1 1.63312 40.0297 40.8815 HAL2 1962 0 0 0 0.09 1967 1965 C3 SLES 1 -0.0521241 38.7458 40.8197 CTL2 1962 1966 1967 1968 -0.18 1968 1966 H31 SLES 1 -1.16526 38.8986 40.8505 HAL2 1965 0 0 0 0.09 1969 1967 H32 SLES 1 0.329941 38.2136 41.7343 HAL2 1965 0 0 0 0.09 1970 1968 C4 SLES 1 0.233177 37.8556 39.6538 CTL2 1965 1969 1970 1971 -0.18 1971 1969 H41 SLES 1 -0.121143 38.312 38.6968 HAL2 1968 0 0 0 0.09 1972 1970 H42 SLES 1 1.32523 37.6518 39.5551 HAL2 1968 0 0 0 0.09 1973 1971 C5 SLES 1 -0.589096 36.641 40.1051 CTL2 1968 1972 1973 1974 -0.18 1974 1972 H51 SLES 1 -1.66356 36.9278 40.2577 HAL2 1971 0 0 0 0.09 1975 1973 H52 SLES 1 -0.233893 36.2753 41.1044 HAL2 1971 0 0 0 0.09 1976 1974 C6 SLES 1 -0.596769 35.4724 39.2176 CTL2 1971 1975 1976 1977 -0.18 1977 1975 H61 SLES 1 -1.67606 35.2596 38.9881 HAL2 1974 0 0 0 0.09 1978 1976 H62 SLES 1 -0.242321 34.6051 39.837 HAL2 1974 0 0 0 0.09 1979 1977 C7 SLES 1 0.219079 35.5791 37.9236 CTL2 1974 1978 1979 1980 -0.18 1980 1978 H71 SLES 1 -0.137471 36.3743 37.2271 HAL2 1977 0 0 0 0.09 1981 1979 H72 SLES 1 1.31388 35.7116 38.0867 HAL2 1977 0 0 0 0.09 1982 1980 C8 SLES 1 -0.0617829 34.234 37.3585 CTL2 1977 1981 1982 1983 -0.18 1983 1981 H81 SLES 1 -1.1799 34.1657 37.2432 HAL2 1980 0 0 0 0.09 1984 1982 H82 SLES 1 0.302254 33.4891 38.1221 HAL2 1980 0 0 0 0.09 1985 1983 C9 SLES 1 0.526095 33.8264 36.0527 CTL2 1980 1984 1985 1986 -0.18 1986 1984 H91 SLES 1 0.183926 34.5125 35.246 HAL2 1983 0 0 0 0.09 1987 1985 H92 SLES 1 1.63769 33.8483 36.1081 HAL2 1983 0 0 0 0.09 1988 1986 C10 SLES 1 -0.0435056 32.415 35.9262 CTL2 1983 1987 1988 1989 -0.18 1989 1987 H10 SLES 1 -1.1661 32.4525 35.951 HAL2 1986 0 0 0 0.09 1990 1988 H10 SLES 1 0.277096 31.7935 36.8063 HAL2 1986 0 0 0 0.09 1991 1989 C11 SLES 1 0.355008 31.68 34.6879 CTL2 1986 1990 1991 1992 -0.18 1992 1990 H11 SLES 1 0.0162057 32.2885 33.8173 HAL2 1989 0 0 0 0.09 1993 1991 H11 SLES 1 1.46831 31.626 34.6775 HAL2 1989 0 0 0 0.09 1994 1992 C12 SLES 1 -0.285688 30.2892 34.6964 CTL3 1989 1993 1994 1995 -0.27 1995 1993 H12 SLES 1 -0.961353 30.1773 33.8263 HAL3 1992 0 0 0 0.09 1996 1994 H12 SLES 1 0.500563 29.5093 34.6927 HAL3 1992 0 0 0 0.09 1997 1995 H12 SLES 1 -0.906853 30.1116 35.6085 HAL3 1992 0 0 0 0.09 1998 1996 NA SLES 1 -13.6318 47.4516 47.3778 NA 0 0 0 0 1 1999 1997 S SLES 1 -15.314 45.016 48.0201 SL 1998 1999 2000 2001 1.33 2000 1998 OS1 SLES 1 -14.4361 44.5889 46.9173 OSL 1997 2002 0 0 -0.28 2001 1999 OS2 SLES 1 -15.8333 46.1047 47.2227 O2L 1997 0 0 0 -0.65 2002 2000 OS3 SLES 1 -14.1719 45.348 48.8402 O2L 1997 0 0 0 -0.65 2003 2001 OS4 SLES 1 -16.1463 43.8928 48.3478 O2L 1997 0 0 0 -0.65 2004 2002 C2 SLES 1 -14.3657 43.3539 46.3249 CC32A 1998 2003 2004 2005 -0.11 2005 2003 H2A SLES 1 -15.3512 43.0763 45.8661 HCA2 2002 0 0 0 0.09 2006 2004 H2B SLES 1 -14.0591 42.57 47.0674 HCA2 2002 0 0 0 0.09 2007 2005 C1 SLES 1 -13.2815 43.5736 45.248 CC32A 2002 2006 2007 2008 -0.01 2008 2006 H1B SLES 1 -13.5854 44.381 44.5323 HCA2 2005 0 0 0 0.09 2009 2007 H1A SLES 1 -12.3075 43.8585 45.7162 HCA2 2005 0 0 0 0.09 2010 2008 O1 SLES 1 -12.9362 42.5108 44.4202 OC30A 2005 2009 0 0 -0.34 2011 2009 C2 SLES 1 -13.6168 41.2819 44.5974 CC32A 2008 2010 2011 2012 -0.01 2012 2010 H2A SLES 1 -14.7252 41.4201 44.4426 HCA2 2009 0 0 0 0.09 2013 2011 H2B SLES 1 -13.4525 40.8722 45.6215 HCA2 2009 0 0 0 0.09 2014 2012 C1 SLES 1 -12.854 40.7722 43.321 CC32A 2009 2013 2014 2015 -0.01 2015 2013 H1B SLES 1 -13.8102 40.6144 42.8048 HCA2 2012 0 0 0 0.09 2016 2014 H1A SLES 1 -12.3948 40.0708 44.1081 HCA2 2012 0 0 0 0.09 2017 2015 O1 SLES 1 -12.1044 39.9367 42.4772 OC30A 2012 2016 0 0 -0.34 2018 2016 C1 SLES 1 -12.589 38.6244 42.2305 CTL2 2015 2017 2018 2019 -0.18 2019 2017 H11 SLES 1 -13.679 38.5425 41.9612 HAL2 2016 0 0 0 0.09 2020 2018 H12 SLES 1 -12.4225 37.9727 43.1249 HAL2 2016 0 0 0 0.09 2021 2019 C2 SLES 1 -11.6847 38.2466 41.0581 CTL2 2016 2020 2021 2022 -0.18 2022 2020 H21 SLES 1 -11.8768 38.8468 40.1364 HAL2 2019 0 0 0 0.09 2023 2021 H22 SLES 1 -10.5971 38.3028 41.3076 HAL2 2019 0 0 0 0.09 2024 2022 C3 SLES 1 -12.0447 36.8387 40.8041 CTL2 2019 2023 2024 2025 -0.18 2025 2023 H31 SLES 1 -13.1427 36.8607 40.5647 HAL2 2022 0 0 0 0.09 2026 2024 H32 SLES 1 -11.8306 36.306 41.7717 HAL2 2022 0 0 0 0.09 2027 2025 C4 SLES 1 -11.3789 36.0506 39.7231 CTL2 2022 2026 2027 2028 -0.18 2028 2026 H41 SLES 1 -11.5466 36.5136 38.7195 HAL2 2025 0 0 0 0.09 2029 2027 H42 SLES 1 -10.2785 35.9793 39.8903 HAL2 2025 0 0 0 0.09 2030 2028 C5 SLES 1 -12.1277 34.7272 39.9302 CTL2 2025 2029 2030 2031 -0.18 2031 2029 H51 SLES 1 -13.2344 34.8801 39.8214 HAL2 2028 0 0 0 0.09 2032 2030 H52 SLES 1 -11.9805 34.3521 40.9771 HAL2 2028 0 0 0 0.09 2033 2031 C6 SLES 1 -11.7762 33.6144 39.0406 CTL2 2028 2032 2033 2034 -0.18 2034 2032 H61 SLES 1 -12.7335 33.2914 38.5484 HAL2 2031 0 0 0 0.09 2035 2033 H62 SLES 1 -11.4759 32.7619 39.7072 HAL2 2031 0 0 0 0.09 2036 2034 C7 SLES 1 -10.6929 33.883 37.9889 CTL2 2031 2035 2036 2037 -0.18 2037 2035 H71 SLES 1 -10.9677 34.6679 37.2452 HAL2 2034 0 0 0 0.09 2038 2036 H72 SLES 1 -9.69476 34.1316 38.4185 HAL2 2034 0 0 0 0.09 2039 2037 C8 SLES 1 -10.66 32.5466 37.3406 CTL2 2034 2038 2039 2040 -0.18 2040 2038 H81 SLES 1 -11.7001 32.3564 36.9531 HAL2 2037 0 0 0 0.09 2041 2039 H82 SLES 1 -10.4004 31.8089 38.1523 HAL2 2037 0 0 0 0.09 2042 2040 C9 SLES 1 -9.72931 32.2794 36.2095 CTL2 2037 2041 2042 2043 -0.18 2043 2041 H91 SLES 1 -9.95013 32.9637 35.36 HAL2 2040 0 0 0 0.09 2044 2042 H92 SLES 1 -8.67528 32.426 36.5362 HAL2 2040 0 0 0 0.09 2045 2043 C10 SLES 1 -10.0715 30.8206 35.9139 CTL2 2040 2044 2045 2046 -0.18 2046 2044 H10 SLES 1 -11.1628 30.7274 35.6636 HAL2 2043 0 0 0 0.09 2047 2045 H10 SLES 1 -9.8971 30.1942 36.8307 HAL2 2043 0 0 0 0.09 2048 2046 C11 SLES 1 -9.29857 30.2034 34.794 CTL2 2043 2047 2048 2049 -0.18 2049 2047 H11 SLES 1 -9.49112 30.8144 33.8816 HAL2 2046 0 0 0 0.09 2050 2048 H11 SLES 1 -8.21763 30.2784 35.0556 HAL2 2046 0 0 0 0.09 2051 2049 C12 SLES 1 -9.74421 28.7496 34.6123 CTL3 2046 2050 2051 2052 -0.27 2052 2050 H12 SLES 1 -10.1715 28.6073 33.6007 HAL3 2049 0 0 0 0.09 2053 2051 H12 SLES 1 -8.88936 28.0666 34.7831 HAL3 2049 0 0 0 0.09 2054 2052 H12 SLES 1 -10.5394 28.4535 35.3399 HAL3 2049 0 0 0 0.09 2055 2053 NA SLES 1 -27.1926 40.7947 47.8399 NA 0 0 0 0 1 2056 2054 S SLES 1 -28.6356 38.1316 47.8432 SL 2055 2056 2057 2058 1.33 2057 2055 OS1 SLES 1 -27.4951 37.9424 46.9307 OSL 2054 2059 0 0 -0.28 2058 2056 OS2 SLES 1 -29.1132 39.2494 47.0601 O2L 2054 0 0 0 -0.65 2059 2057 OS3 SLES 1 -27.7478 38.4791 48.9287 O2L 2054 0 0 0 -0.65 2060 2058 OS4 SLES 1 -29.3626 36.8935 47.8626 O2L 2054 0 0 0 -0.65 2061 2059 C2 SLES 1 -27.138 36.8058 46.2512 CC32A 2055 2060 2061 2062 -0.11 2062 2060 H2A SLES 1 -27.9581 36.4836 45.5566 HCA2 2059 0 0 0 0.09 2063 2061 H2B SLES 1 -26.8951 35.9727 46.963 HCA2 2059 0 0 0 0.09 2064 2062 C1 SLES 1 -25.8887 37.2734 45.4739 CC32A 2059 2063 2064 2065 -0.01 2065 2063 H1B SLES 1 -26.1378 38.1266 44.7909 HCA2 2062 0 0 0 0.09 2066 2064 H1A SLES 1 -25.0827 37.6004 46.1757 HCA2 2062 0 0 0 0.09 2067 2065 O1 SLES 1 -25.2382 36.3656 44.6452 OC30A 2062 2066 0 0 -0.34 2068 2066 C2 SLES 1 -25.7723 35.0583 44.5425 CC32A 2065 2067 2068 2069 -0.01 2069 2067 H2A SLES 1 -26.8309 35.0951 44.1557 HCA2 2066 0 0 0 0.09 2070 2068 H2B SLES 1 -25.7764 34.5439 45.5319 HCA2 2066 0 0 0 0.09 2071 2069 C1 SLES 1 -24.6955 34.7969 43.4276 CC32A 2066 2070 2071 2072 -0.01 2072 2070 H1B SLES 1 -25.4909 34.6033 42.6958 HCA2 2069 0 0 0 0.09 2073 2071 H1A SLES 1 -24.3252 34.056 44.2253 HCA2 2069 0 0 0 0.09 2074 2072 O1 SLES 1 -23.6801 34.1587 42.6971 OC30A 2069 2073 0 0 -0.34 2075 2073 C1 SLES 1 -23.9235 32.8432 42.2195 CTL2 2072 2074 2075 2076 -0.18 2076 2074 H11 SLES 1 -24.9109 32.6791 41.7043 HAL2 2073 0 0 0 0.09 2077 2075 H12 SLES 1 -23.866 32.1064 43.06 HAL2 2073 0 0 0 0.09 2078 2076 C2 SLES 1 -22.7492 32.7141 41.2504 CTL2 2073 2077 2078 2079 -0.18 2079 2077 H21 SLES 1 -22.8189 33.4007 40.3726 HAL2 2076 0 0 0 0.09 2080 2078 H22 SLES 1 -21.7565 32.855 41.7434 HAL2 2076 0 0 0 0.09 2081 2079 C3 SLES 1 -22.8577 31.3186 40.7847 CTL2 2076 2080 2081 2082 -0.18 2082 2080 H31 SLES 1 -23.8729 31.2523 40.3068 HAL2 2079 0 0 0 0.09 2083 2081 H32 SLES 1 -22.7853 30.6952 41.7184 HAL2 2079 0 0 0 0.09 2084 2082 C4 SLES 1 -21.8794 30.7478 39.8099 CTL2 2079 2083 2084 2085 -0.18 2085 2083 H41 SLES 1 -21.89 31.3118 38.8448 HAL2 2082 0 0 0 0.09 2086 2084 H42 SLES 1 -20.84 30.7746 40.2135 HAL2 2082 0 0 0 0.09 2087 2085 C5 SLES 1 -22.4734 29.3362 39.7115 CTL2 2082 2086 2087 2088 -0.18 2088 2086 H51 SLES 1 -23.5421 29.3819 39.3711 HAL2 2085 0 0 0 0.09 2089 2087 H52 SLES 1 -22.5036 28.8512 40.7225 HAL2 2085 0 0 0 0.09 2090 2088 C6 SLES 1 -21.7972 28.3875 38.8193 CTL2 2085 2089 2090 2091 -0.18 2091 2089 H61 SLES 1 -22.5769 28.0278 38.0944 HAL2 2088 0 0 0 0.09 2092 2090 H62 SLES 1 -21.5352 27.4956 39.4495 HAL2 2088 0 0 0 0.09 2093 2091 C7 SLES 1 -20.5607 28.9001 38.0711 CTL2 2088 2092 2093 2094 -0.18 2094 2092 H71 SLES 1 -20.7726 29.7378 37.3654 HAL2 2091 0 0 0 0.09 2095 2093 H72 SLES 1 -19.7182 29.1987 38.7373 HAL2 2091 0 0 0 0.09 2096 2094 C8 SLES 1 -20.2144 27.6665 37.3189 CTL2 2091 2095 2096 2097 -0.18 2097 2095 H81 SLES 1 -21.1142 27.4158 36.6898 HAL2 2094 0 0 0 0.09 2098 2096 H82 SLES 1 -20.0379 26.8653 38.0918 HAL2 2094 0 0 0 0.09 2099 2097 C9 SLES 1 -19.038 27.6442 36.4066 CTL2 2094 2098 2099 2100 -0.18 2100 2098 H91 SLES 1 -19.1619 28.4016 35.6006 HAL2 2097 0 0 0 0.09 2101 2099 H92 SLES 1 -18.1061 27.861 36.9757 HAL2 2097 0 0 0 0.09 2102 2100 C10 SLES 1 -19.1137 26.2055 35.8995 CTL2 2097 2101 2102 2103 -0.18 2103 2101 H10 SLES 1 -20.1049 26.0278 35.4013 HAL2 2100 0 0 0 0.09 2104 2102 H10 SLES 1 -19.0566 25.4917 36.7659 HAL2 2100 0 0 0 0.09 2105 2103 C11 SLES 1 -18.046 25.8196 34.9281 CTL2 2100 2104 2105 2106 -0.18 2106 2104 H11 SLES 1 -18.1196 26.5157 34.0602 HAL2 2103 0 0 0 0.09 2107 2105 H11 SLES 1 -17.0649 25.9768 35.4331 HAL2 2103 0 0 0 0.09 2108 2106 C12 SLES 1 -18.2468 24.3606 34.5085 CTL3 2103 2107 2108 2109 -0.27 2109 2107 H12 SLES 1 -18.427 24.3008 33.4176 HAL3 2106 0 0 0 0.09 2110 2108 H12 SLES 1 -17.365 23.7573 34.8 HAL3 2106 0 0 0 0.09 2111 2109 H12 SLES 1 -19.132 23.8923 35.005 HAL3 2106 0 0 0 0.09 2112 2110 NA SLES 1 -38.1014 30.236 48.3482 NA 0 0 0 0 1 2113 2111 S SLES 1 -39.1523 27.4823 47.6506 SL 2112 2113 2114 2115 1.33 2114 2112 OS1 SLES 1 -37.8632 27.5846 46.9457 OSL 2111 2116 0 0 -0.28 2115 2113 OS2 SLES 1 -39.6422 28.6692 46.986 O2L 2111 0 0 0 -0.65 2116 2114 OS3 SLES 1 -38.5087 27.7143 48.9231 O2L 2111 0 0 0 -0.65 2117 2115 OS4 SLES 1 -39.6986 26.1928 47.3332 O2L 2111 0 0 0 -0.65 2118 2116 C2 SLES 1 -37.2496 26.6364 46.1675 CC32A 2112 2117 2118 2119 -0.11 2119 2117 H2A SLES 1 -37.8942 26.3642 45.2904 HCA2 2116 0 0 0 0.09 2120 2118 H2B SLES 1 -37.0158 25.7164 46.7661 HCA2 2116 0 0 0 0.09 2121 2119 C1 SLES 1 -35.9651 27.3672 45.7208 CC32A 2116 2120 2121 2122 -0.01 2122 2120 H1B SLES 1 -36.2123 28.301 45.1522 HCA2 2119 0 0 0 0.09 2123 2121 H1A SLES 1 -35.336 27.6414 46.6031 HCA2 2119 0 0 0 0.09 2124 2122 O1 SLES 1 -35.0713 26.7007 44.8895 OC30A 2119 2123 0 0 -0.34 2125 2123 C2 SLES 1 -35.3999 25.3863 44.478 CC32A 2122 2124 2125 2126 -0.01 2126 2124 H2A SLES 1 -36.3763 25.3831 43.9139 HCA2 2123 0 0 0 0.09 2127 2125 H2B SLES 1 -35.4959 24.7006 45.3522 HCA2 2123 0 0 0 0.09 2128 2126 C1 SLES 1 -34.1302 25.4489 43.5534 CC32A 2123 2127 2128 2129 -0.01 2129 2127 H1B SLES 1 -34.7619 25.3116 42.6659 HCA2 2126 0 0 0 0.09 2130 2128 H1A SLES 1 -33.7984 24.6163 44.2739 HCA2 2126 0 0 0 0.09 2131 2129 O1 SLES 1 -32.9324 25.0659 42.9285 OC30A 2126 2130 0 0 -0.34 2132 2130 C1 SLES 1 -32.9145 23.8429 42.2061 CTL2 2129 2131 2132 2133 -0.18 2133 2131 H11 SLES 1 -33.7732 23.6745 41.4978 HAL2 2130 0 0 0 0.09 2134 2132 H12 SLES 1 -32.896 22.9738 42.911 HAL2 2130 0 0 0 0.09 2135 2133 C2 SLES 1 -31.5913 24.018 41.4623 CTL2 2130 2134 2135 2136 -0.18 2136 2134 H21 SLES 1 -31.6089 24.8436 40.7108 HAL2 2133 0 0 0 0.09 2137 2135 H22 SLES 1 -30.7206 24.1684 42.1462 HAL2 2133 0 0 0 0.09 2138 2136 C3 SLES 1 -31.4327 22.7287 40.7631 CTL2 2133 2137 2138 2139 -0.18 2139 2137 H31 SLES 1 -32.3379 22.6462 40.1019 HAL2 2136 0 0 0 0.09 2140 2138 H32 SLES 1 -31.4301 21.9548 41.5797 HAL2 2136 0 0 0 0.09 2141 2139 C4 SLES 1 -30.2404 22.4527 39.9057 CTL2 2136 2140 2141 2142 -0.18 2142 2140 H41 SLES 1 -30.1695 23.1809 39.0604 HAL2 2139 0 0 0 0.09 2143 2141 H42 SLES 1 -29.2941 22.5129 40.4929 HAL2 2139 0 0 0 0.09 2144 2142 C5 SLES 1 -30.6141 21.0294 39.4703 CTL2 2139 2143 2144 2145 -0.18 2145 2143 H51 SLES 1 -31.6091 21.0253 38.9507 HAL2 2142 0 0 0 0.09 2146 2144 H52 SLES 1 -30.743 20.3658 40.3655 HAL2 2142 0 0 0 0.09 2147 2145 C6 SLES 1 -29.6794 20.3374 38.5755 CTL2 2142 2146 2147 2148 -0.18 2148 2146 H61 SLES 1 -30.2744 20.0382 37.6704 HAL2 2145 0 0 0 0.09 2149 2147 H62 SLES 1 -29.4057 19.3768 39.089 HAL2 2145 0 0 0 0.09 2150 2148 C7 SLES 1 -28.4181 21.1054 38.1621 CTL2 2145 2149 2150 2151 -0.18 2151 2149 H71 SLES 1 -28.6232 22.0321 37.5757 HAL2 2148 0 0 0 0.09 2152 2150 H72 SLES 1 -27.7438 21.3622 39.0119 HAL2 2148 0 0 0 0.09 2153 2151 C8 SLES 1 -27.7902 20.0746 37.2955 CTL2 2148 2152 2153 2154 -0.18 2154 2152 H81 SLES 1 -28.5329 19.8518 36.4789 HAL2 2151 0 0 0 0.09 2155 2153 H82 SLES 1 -27.6355 19.1675 37.9464 HAL2 2151 0 0 0 0.09 2156 2154 C9 SLES 1 -26.4885 20.3438 36.6247 CTL2 2151 2155 2156 2157 -0.18 2157 2155 H91 SLES 1 -26.5805 21.2197 35.9443 HAL2 2154 0 0 0 0.09 2158 2156 H92 SLES 1 -25.7001 20.548 37.3835 HAL2 2154 0 0 0 0.09 2159 2157 C10 SLES 1 -26.2853 19.0235 35.8844 CTL2 2154 2158 2159 2160 -0.18 2160 2158 H10 SLES 1 -27.1487 18.8383 35.1898 HAL2 2157 0 0 0 0.09 2161 2159 H10 SLES 1 -26.2745 18.1721 36.6182 HAL2 2157 0 0 0 0.09 2162 2160 C11 SLES 1 -25.0312 18.9369 35.0768 CTL2 2157 2161 2162 2163 -0.18 2163 2161 H11 SLES 1 -25.0555 19.7695 34.3358 HAL2 2160 0 0 0 0.09 2164 2162 H11 SLES 1 -24.176 19.0998 35.773 HAL2 2160 0 0 0 0.09 2165 2163 C12 SLES 1 -24.9617 17.5675 34.395 CTL3 2160 2164 2165 2166 -0.27 2166 2164 H12 SLES 1 -24.9517 17.6915 33.2947 HAL3 2163 0 0 0 0.09 2167 2165 H12 SLES 1 -24.0661 17.0161 34.7417 HAL3 2163 0 0 0 0.09 2168 2166 H12 SLES 1 -25.8446 16.9259 34.6365 HAL3 2163 0 0 0 0.09 2169 2167 NA SLES 1 -45.2474 16.7527 48.8529 NA 0 0 0 0 1 2170 2168 S SLES 1 -45.8514 14.1312 47.461 SL 2169 2170 2171 2172 1.33 2171 2169 OS1 SLES 1 -44.5241 14.5279 46.9607 OSL 2168 2173 0 0 -0.28 2172 2170 OS2 SLES 1 -46.4262 15.3781 47.0076 O2L 2168 0 0 0 -0.65 2173 2171 OS3 SLES 1 -45.3723 14.1375 48.824 O2L 2168 0 0 0 -0.65 2174 2172 OS4 SLES 1 -46.1885 12.8958 46.8114 O2L 2168 0 0 0 -0.65 2175 2173 C2 SLES 1 -43.7171 13.8514 46.0818 CC32A 2169 2174 2175 2176 -0.11 2176 2174 H2A SLES 1 -44.2308 13.7167 45.0934 HCA2 2173 0 0 0 0.09 2177 2175 H2B SLES 1 -43.4237 12.8504 46.496 HCA2 2173 0 0 0 0.09 2178 2176 C1 SLES 1 -42.5028 14.7976 45.9646 CC32A 2173 2177 2178 2179 -0.01 2179 2177 H1B SLES 1 -42.8143 15.8036 45.5808 HCA2 2176 0 0 0 0.09 2180 2178 H1A SLES 1 -42.0053 14.9313 46.9565 HCA2 2176 0 0 0 0.09 2181 2179 O1 SLES 1 -41.4515 14.4359 45.1291 OC30A 2176 2180 0 0 -0.34 2182 2180 C2 SLES 1 -41.5615 13.221 44.4103 CC32A 2179 2181 2182 2183 -0.01 2183 2181 H2A SLES 1 -42.4686 13.2405 43.7409 HCA2 2180 0 0 0 0.09 2184 2182 H2B SLES 1 -41.6513 12.3494 45.1001 HCA2 2180 0 0 0 0.09 2185 2183 C1 SLES 1 -40.2266 13.6266 43.6862 CC32A 2180 2184 2185 2186 -0.01 2186 2184 H1B SLES 1 -40.7443 13.6264 42.7179 HCA2 2183 0 0 0 0.09 2187 2185 H1A SLES 1 -39.8599 12.6933 44.2492 HCA2 2183 0 0 0 0.09 2188 2186 O1 SLES 1 -38.9331 13.5254 43.1489 OC30A 2183 2187 0 0 -0.34 2189 2187 C1 SLES 1 -38.6828 12.5063 42.1914 CTL2 2186 2188 2189 2190 -0.18 2190 2188 H11 SLES 1 -39.4379 12.4112 41.3619 HAL2 2187 0 0 0 0.09 2191 2189 H12 SLES 1 -38.6188 11.5077 42.6925 HAL2 2187 0 0 0 0.09 2192 2190 C2 SLES 1 -37.3277 12.9859 41.6731 CTL2 2187 2191 2192 2193 -0.18 2193 2191 H21 SLES 1 -37.3804 13.9531 41.1178 HAL2 2190 0 0 0 0.09 2194 2192 H22 SLES 1 -36.556 13.0704 42.4766 HAL2 2190 0 0 0 0.09 2195 2193 C3 SLES 1 -36.9321 11.9125 40.7416 CTL2 2190 2194 2195 2196 -0.18 2196 2194 H31 SLES 1 -37.7491 11.8848 39.9702 HAL2 2193 0 0 0 0.09 2197 2195 H32 SLES 1 -36.9074 10.979 41.3691 HAL2 2193 0 0 0 0.09 2198 2196 C4 SLES 1 -35.6353 11.9668 40.001 CTL2 2193 2197 2198 2199 -0.18 2199 2197 H41 SLES 1 -35.5786 12.8704 39.3452 HAL2 2196 0 0 0 0.09 2200 2198 H42 SLES 1 -34.7676 11.994 40.7012 HAL2 2196 0 0 0 0.09 2201 2199 C5 SLES 1 -35.773 10.6469 39.2303 CTL2 2196 2200 2201 2202 -0.18 2202 2200 H51 SLES 1 -36.7029 10.6535 38.6015 HAL2 2199 0 0 0 0.09 2203 2201 H52 SLES 1 -35.9004 9.78835 39.9409 HAL2 2199 0 0 0 0.09 2204 2202 C6 SLES 1 -34.6717 10.2793 38.333 CTL2 2199 2203 2204 2205 -0.18 2205 2203 H61 SLES 1 -35.1301 10.1301 37.3179 HAL2 2202 0 0 0 0.09 2206 2204 H62 SLES 1 -34.3252 9.26258 38.661 HAL2 2202 0 0 0 0.09 2207 2205 C7 SLES 1 -33.4885 11.2515 38.253 CTL2 2202 2206 2207 2208 -0.18 2208 2206 H71 SLES 1 -33.7558 12.2592 37.8557 HAL2 2205 0 0 0 0.09 2209 2207 H72 SLES 1 -32.9409 11.3806 39.2154 HAL2 2205 0 0 0 0.09 2210 2208 C8 SLES 1 -32.6478 10.5166 37.2728 CTL2 2205 2209 2210 2211 -0.18 2211 2209 H81 SLES 1 -33.2707 10.4056 36.3413 HAL2 2208 0 0 0 0.09 2212 2210 H82 SLES 1 -32.4393 9.50785 37.7304 HAL2 2208 0 0 0 0.09 2213 2211 C9 SLES 1 -31.3336 11.0684 36.8425 CTL2 2208 2212 2213 2214 -0.18 2214 2212 H91 SLES 1 -31.4733 12.0603 36.3574 HAL2 2211 0 0 0 0.09 2215 2213 H92 SLES 1 -30.6575 11.1793 37.7198 HAL2 2211 0 0 0 0.09 2216 2214 C10 SLES 1 -30.8859 9.97899 35.8702 CTL2 2211 2215 2216 2217 -0.18 2217 2215 H10 SLES 1 -31.6448 9.86394 35.0497 HAL2 2214 0 0 0 0.09 2218 2216 H10 SLES 1 -30.8348 8.99005 36.402 HAL2 2214 0 0 0 0.09 2219 2217 C11 SLES 1 -29.5582 10.2121 35.2258 CTL2 2214 2218 2219 2220 -0.18 2220 2218 H11 SLES 1 -29.6194 11.1831 34.6813 HAL2 2217 0 0 0 0.09 2221 2219 H11 SLES 1 -28.8046 10.3043 36.0419 HAL2 2217 0 0 0 0.09 2222 2220 C12 SLES 1 -29.2416 9.04765 34.2831 CTL3 2217 2221 2222 2223 -0.27 2223 2221 H12 SLES 1 -29.14 9.41726 33.2442 HAL3 2220 0 0 0 0.09 2224 2222 H12 SLES 1 -28.3193 8.53157 34.614 HAL3 2220 0 0 0 0.09 2225 2223 H12 SLES 1 -30.0513 8.27715 34.2706 HAL3 2220 0 0 0 0.09 2226 2224 NA SLES 1 -47.8631 1.64418 49.3046 NA 0 0 0 0 1 2227 2225 S SLES 1 -48.1029 -0.607557 47.2931 SL 2226 2227 2228 2229 1.33 2228 2226 OS1 SLES 1 -46.8239 0.0495181 46.9742 OSL 2225 2230 0 0 -0.28 2229 2227 OS2 SLES 1 -48.8176 0.637759 47.1228 O2L 2225 0 0 0 -0.65 2230 2228 OS3 SLES 1 -47.6607 -0.880562 48.6411 O2L 2225 0 0 0 -0.65 2231 2229 OS4 SLES 1 -48.2682 -1.67631 46.3484 O2L 2225 0 0 0 -0.65 2232 2230 C2 SLES 1 -45.9184 -0.293442 46.0028 CC32A 2226 2231 2232 2233 -0.11 2233 2231 H2A SLES 1 -46.3878 -0.239842 44.9851 HCA2 2230 0 0 0 0.09 2234 2232 H2B SLES 1 -45.5126 -1.32482 46.1791 HCA2 2230 0 0 0 0.09 2235 2233 C1 SLES 1 -44.829 0.785828 46.1813 CC32A 2230 2234 2235 2236 -0.01 2236 2234 H1B SLES 1 -45.2542 1.81251 46.0347 HCA2 2233 0 0 0 0.09 2237 2235 H1A SLES 1 -44.3756 0.728524 47.2013 HCA2 2233 0 0 0 0.09 2238 2236 O1 SLES 1 -43.7214 0.763312 45.3407 OC30A 2233 2237 0 0 -0.34 2239 2237 C2 SLES 1 -43.6622 -0.242648 44.346 CC32A 2236 2238 2239 2240 -0.01 2240 2238 H2A SLES 1 -44.5486 -0.164001 43.6536 HCA2 2237 0 0 0 0.09 2241 2239 H2B SLES 1 -43.6591 -1.26114 44.8001 HCA2 2237 0 0 0 0.09 2242 2240 C1 SLES 1 -42.3714 0.478817 43.8128 CC32A 2237 2241 2242 2243 -0.01 2243 2241 H1B SLES 1 -42.862 0.65649 42.8467 HCA2 2240 0 0 0 0.09 2244 2242 H1A SLES 1 -41.9049 -0.515444 44.1536 HCA2 2240 0 0 0 0.09 2245 2243 O1 SLES 1 -41.0631 0.661847 43.3367 OC30A 2240 2244 0 0 -0.34 2246 2244 C1 SLES 1 -40.6653 -0.0556061 42.1769 CTL2 2243 2245 2246 2247 -0.18 2247 2245 H11 SLES 1 -41.3828 -0.0306716 41.3099 HAL2 2244 0 0 0 0.09 2248 2246 H12 SLES 1 -40.4893 -1.13244 42.4259 HAL2 2244 0 0 0 0.09 2249 2247 C2 SLES 1 -39.3685 0.688909 41.8621 CTL2 2244 2248 2249 2250 -0.18 2250 2248 H21 SLES 1 -39.5281 1.75006 41.5537 HAL2 2247 0 0 0 0.09 2251 2249 H22 SLES 1 -38.6326 0.661981 42.7023 HAL2 2247 0 0 0 0.09 2252 2250 C3 SLES 1 -38.8205 -0.0705721 40.7223 CTL2 2247 2251 2252 2253 -0.18 2253 2251 H31 SLES 1 -39.6092 -0.00200562 39.9244 HAL2 2250 0 0 0 0.09 2254 2252 H32 SLES 1 -38.6946 -1.1202 41.1073 HAL2 2250 0 0 0 0.09 2255 2253 C4 SLES 1 -37.5235 0.312422 40.0867 CTL2 2250 2254 2255 2256 -0.18 2256 2254 H41 SLES 1 -37.5642 1.34952 39.6713 HAL2 2253 0 0 0 0.09 2257 2255 H42 SLES 1 -36.6827 0.266707 40.818 HAL2 2253 0 0 0 0.09 2258 2256 C5 SLES 1 -37.4775 -0.785032 39.015 CTL2 2253 2257 2258 2259 -0.18 2259 2257 H51 SLES 1 -38.3858 -0.731426 38.3576 HAL2 2256 0 0 0 0.09 2260 2258 H52 SLES 1 -37.5137 -1.8004 39.4905 HAL2 2256 0 0 0 0.09 2261 2259 C6 SLES 1 -36.318 -0.792326 38.1156 CTL2 2256 2260 2261 2262 -0.18 2262 2260 H61 SLES 1 -36.7302 -0.739757 37.0715 HAL2 2259 0 0 0 0.09 2263 2261 H62 SLES 1 -35.8555 -1.81162 38.2075 HAL2 2259 0 0 0 0.09 2264 2262 C7 SLES 1 -35.2636 0.29928 38.3348 CTL2 2259 2263 2264 2265 -0.18 2265 2263 H71 SLES 1 -35.6447 1.33595 38.1779 HAL2 2262 0 0 0 0.09 2266 2264 H72 SLES 1 -34.7592 0.250531 39.3278 HAL2 2262 0 0 0 0.09 2267 2265 C8 SLES 1 -34.315 -0.0712677 37.253 CTL2 2262 2266 2267 2268 -0.18 2268 2266 H81 SLES 1 -34.897 -0.0213796 36.2902 HAL2 2265 0 0 0 0.09 2269 2267 H82 SLES 1 -33.9934 -1.13052 37.465 HAL2 2265 0 0 0 0.09 2270 2268 C9 SLES 1 -33.0699 0.716524 37.0386 CTL2 2265 2269 2270 2271 -0.18 2271 2269 H91 SLES 1 -33.3205 1.77424 36.7995 HAL2 2268 0 0 0 0.09 2272 2270 H92 SLES 1 -32.4338 0.685989 37.9516 HAL2 2268 0 0 0 0.09 2273 2271 C10 SLES 1 -32.4672 -0.0423176 35.8581 CTL2 2268 2272 2273 2274 -0.18 2274 2272 H10 SLES 1 -33.1862 -0.0391775 34.9948 HAL2 2271 0 0 0 0.09 2275 2273 H10 SLES 1 -32.3059 -1.11881 36.1385 HAL2 2271 0 0 0 0.09 2276 2274 C11 SLES 1 -31.1639 0.492708 35.3604 CTL2 2271 2275 2276 2277 -0.18 2277 2275 H11 SLES 1 -31.3327 1.55386 35.0629 HAL2 2274 0 0 0 0.09 2278 2276 H11 SLES 1 -30.4472 0.468091 36.2137 HAL2 2274 0 0 0 0.09 2279 2277 C12 SLES 1 -30.6827 -0.360704 34.1835 CTL3 2274 2278 2279 2280 -0.27 2280 2278 H12 SLES 1 -30.6033 0.261463 33.271 HAL3 2277 0 0 0 0.09 2281 2279 H12 SLES 1 -29.7114 -0.832578 34.4293 HAL3 2277 0 0 0 0.09 2282 2280 H12 SLES 1 -31.3896 -1.19245 33.943 HAL3 2277 0 0 0 0.09 2283 2281 NA SLES 1 -45.6255 -13.5872 49.6591 NA 0 0 0 0 1 2284 2282 S SLES 1 -45.7116 -15.301 47.1631 SL 2283 2284 2285 2286 1.33 2285 2283 OS1 SLES 1 -44.5355 -14.4325 46.9849 OSL 2282 2287 0 0 -0.28 2286 2284 OS2 SLES 1 -46.5729 -14.1502 47.3203 O2L 2282 0 0 0 -0.65 2287 2285 OS3 SLES 1 -45.1698 -15.8329 48.3923 O2L 2282 0 0 0 -0.65 2288 2286 OS4 SLES 1 -45.803 -16.1232 45.9895 O2L 2282 0 0 0 -0.65 2289 2287 C2 SLES 1 -43.6496 -14.4163 45.938 CC32A 2283 2288 2289 2290 -0.11 2290 2288 H2A SLES 1 -44.1756 -14.1785 44.9758 HCA2 2287 0 0 0 0.09 2291 2289 H2B SLES 1 -43.1191 -15.4011 45.8464 HCA2 2287 0 0 0 0.09 2292 2290 C1 SLES 1 -42.6836 -13.2847 46.3499 CC32A 2287 2291 2292 2293 -0.01 2293 2291 H1B SLES 1 -43.2312 -12.314 46.4695 HCA2 2290 0 0 0 0.09 2294 2292 H1A SLES 1 -42.1729 -13.5287 47.3137 HCA2 2290 0 0 0 0.09 2295 2293 O1 SLES 1 -41.627 -12.9663 45.5034 OC30A 2290 2294 0 0 -0.34 2296 2294 C2 SLES 1 -41.5057 -13.6881 44.2913 CC32A 2293 2295 2296 2297 -0.01 2297 2295 H2A SLES 1 -42.4309 -13.5563 43.6605 HCA2 2294 0 0 0 0.09 2298 2296 H2B SLES 1 -41.3613 -14.7774 44.4817 HCA2 2294 0 0 0 0.09 2299 2297 C1 SLES 1 -40.3367 -12.7047 43.9209 CC32A 2294 2298 2299 2300 -0.01 2300 2298 H1B SLES 1 -40.8952 -12.3624 43.0398 HCA2 2297 0 0 0 0.09 2301 2299 H1A SLES 1 -39.7414 -13.6857 43.9965 HCA2 2297 0 0 0 0.09 2302 2300 O1 SLES 1 -39.0853 -12.2511 43.4734 OC30A 2297 2301 0 0 -0.34 2303 2301 C1 SLES 1 -38.67 -12.6134 42.1641 CTL2 2300 2302 2303 2304 -0.18 2304 2302 H11 SLES 1 -39.4308 -12.4702 41.3469 HAL2 2301 0 0 0 0.09 2305 2303 H12 SLES 1 -38.3584 -13.6879 42.1372 HAL2 2301 0 0 0 0.09 2306 2304 C2 SLES 1 -37.4861 -11.6595 42.0109 CTL2 2301 2305 2306 2307 -0.18 2307 2305 H21 SLES 1 -37.7828 -10.5837 41.9758 HAL2 2304 0 0 0 0.09 2308 2306 H22 SLES 1 -36.7082 -11.7959 42.8012 HAL2 2304 0 0 0 0.09 2309 2307 C3 SLES 1 -36.9159 -12.0483 40.707 CTL2 2304 2308 2309 2310 -0.18 2310 2308 H31 SLES 1 -37.7486 -11.8887 39.9692 HAL2 2307 0 0 0 0.09 2311 2309 H32 SLES 1 -36.6498 -13.1357 40.8199 HAL2 2307 0 0 0 0.09 2312 2310 C4 SLES 1 -35.7072 -11.3653 40.1542 CTL2 2307 2311 2312 2313 -0.18 2313 2311 H41 SLES 1 -35.889 -10.2722 40.0069 HAL2 2310 0 0 0 0.09 2314 2312 H42 SLES 1 -34.829 -11.4805 40.832 HAL2 2310 0 0 0 0.09 2315 2313 C5 SLES 1 -35.5925 -12.1583 38.8454 CTL2 2310 2314 2315 2316 -0.18 2316 2314 H51 SLES 1 -36.5347 -12.0617 38.2429 HAL2 2313 0 0 0 0.09 2317 2315 H52 SLES 1 -35.4864 -13.2546 39.0582 HAL2 2313 0 0 0 0.09 2318 2316 C6 SLES 1 -34.4895 -11.8047 37.9445 CTL2 2313 2317 2318 2319 -0.18 2319 2317 H61 SLES 1 -34.96 -11.5544 36.9552 HAL2 2316 0 0 0 0.09 2320 2318 H62 SLES 1 -33.9086 -12.7505 37.7727 HAL2 2316 0 0 0 0.09 2321 2319 C7 SLES 1 -33.5573 -10.6753 38.3997 CTL2 2316 2320 2321 2322 -0.18 2322 2320 H71 SLES 1 -34.063 -9.68712 38.5107 HAL2 2319 0 0 0 0.09 2323 2321 H72 SLES 1 -32.9986 -10.8983 39.3382 HAL2 2319 0 0 0 0.09 2324 2322 C8 SLES 1 -32.6315 -10.6538 37.2379 CTL2 2319 2323 2324 2325 -0.18 2325 2323 H81 SLES 1 -33.2658 -10.4467 36.3308 HAL2 2322 0 0 0 0.09 2326 2324 H82 SLES 1 -32.1793 -11.6844 37.1761 HAL2 2322 0 0 0 0.09 2327 2325 C9 SLES 1 -31.4984 -9.68887 37.1938 CTL2 2322 2326 2327 2328 -0.18 2328 2326 H91 SLES 1 -31.8813 -8.64438 37.2274 HAL2 2325 0 0 0 0.09 2329 2327 H92 SLES 1 -30.8152 -9.85861 38.0562 HAL2 2325 0 0 0 0.09 2330 2328 C10 SLES 1 -30.8762 -10.0605 35.8494 CTL2 2325 2329 2330 2331 -0.18 2331 2329 H10 SLES 1 -31.6358 -9.93937 35.0305 HAL2 2328 0 0 0 0.09 2332 2330 H10 SLES 1 -30.5775 -11.1441 35.8534 HAL2 2328 0 0 0 0.09 2333 2331 C11 SLES 1 -29.6715 -9.26348 35.4674 CTL2 2328 2332 2333 2334 -0.18 2334 2332 H11 SLES 1 -29.9768 -8.19145 35.4432 HAL2 2331 0 0 0 0.09 2335 2333 H11 SLES 1 -28.9122 -9.40314 36.2715 HAL2 2331 0 0 0 0.09 2336 2334 C12 SLES 1 -29.1587 -9.7421 34.1062 CTL3 2331 2335 2336 2337 -0.27 2337 2335 H12 SLES 1 -29.2001 -8.91387 33.3724 HAL3 2334 0 0 0 0.09 2338 2336 H12 SLES 1 -28.1279 -10.1345 34.2057 HAL3 2334 0 0 0 0.09 2339 2337 H12 SLES 1 -29.7771 -10.573 33.6859 HAL3 2334 0 0 0 0.09 2340 2338 NA SLES 1 -38.7132 -27.3921 49.8817 NA 0 0 0 0 1 2341 2339 S SLES 1 -38.9262 -28.5331 47.084 SL 2340 2341 2342 2343 1.33 2342 2340 OS1 SLES 1 -37.8816 -27.499 46.9919 OSL 2339 2344 0 0 -0.28 2343 2341 OS2 SLES 1 -39.8795 -27.5661 47.5808 O2L 2339 0 0 0 -0.65 2344 2342 OS3 SLES 1 -38.1811 -29.2374 48.1019 O2L 2339 0 0 0 -0.65 2345 2343 OS4 SLES 1 -39.0748 -29.0923 45.7698 O2L 2339 0 0 0 -0.65 2346 2344 C2 SLES 1 -37.1404 -27.144 45.8938 CC32A 2340 2345 2346 2347 -0.11 2347 2345 H2A SLES 1 -37.805 -26.779 45.0667 HCA2 2344 0 0 0 0.09 2348 2346 H2B SLES 1 -36.5229 -28.0079 45.5305 HCA2 2344 0 0 0 0.09 2349 2347 C1 SLES 1 -36.2575 -26.008 46.4537 CC32A 2344 2348 2349 2350 -0.01 2350 2348 H1B SLES 1 -36.8868 -25.166 46.8426 HCA2 2347 0 0 0 0.09 2351 2349 H1A SLES 1 -35.6071 -26.3813 47.2825 HCA2 2347 0 0 0 0.09 2352 2350 O1 SLES 1 -35.3553 -25.3804 45.6014 OC30A 2347 2351 0 0 -0.34 2353 2351 C2 SLES 1 -35.3096 -25.806 44.2517 CC32A 2350 2352 2353 2354 -0.01 2354 2352 H2A SLES 1 -36.3153 -25.6668 43.761 HCA2 2351 0 0 0 0.09 2355 2353 H2B SLES 1 -35.0266 -26.882 44.176 HCA2 2351 0 0 0 0.09 2356 2354 C1 SLES 1 -34.3084 -24.6207 44 CC32A 2351 2355 2356 2357 -0.01 2357 2355 H1B SLES 1 -35.0062 -24.1761 43.2782 HCA2 2354 0 0 0 0.09 2358 2356 H1A SLES 1 -33.6066 -25.5078 43.7932 HCA2 2354 0 0 0 0.09 2359 2357 O1 SLES 1 -33.1787 -23.9211 43.5458 OC30A 2354 2358 0 0 -0.34 2360 2358 C1 SLES 1 -32.8939 -23.9391 42.1542 CTL2 2357 2359 2360 2361 -0.18 2361 2359 H11 SLES 1 -33.7618 -23.7276 41.4692 HAL2 2358 0 0 0 0.09 2362 2360 H12 SLES 1 -32.4746 -24.9326 41.8548 HAL2 2358 0 0 0 0.09 2363 2361 C2 SLES 1 -31.8476 -22.8264 42.1048 CTL2 2358 2362 2363 2364 -0.18 2364 2362 H21 SLES 1 -32.2601 -21.8166 42.343 HAL2 2361 0 0 0 0.09 2365 2363 H22 SLES 1 -30.9669 -23.0234 42.7636 HAL2 2361 0 0 0 0.09 2366 2364 C3 SLES 1 -31.4064 -22.8508 40.6973 CTL2 2361 2365 2366 2367 -0.18 2367 2365 H31 SLES 1 -32.3371 -22.6497 40.1 HAL2 2364 0 0 0 0.09 2368 2366 H32 SLES 1 -31.0133 -23.8924 40.535 HAL2 2364 0 0 0 0.09 2369 2367 C4 SLES 1 -30.3566 -21.9124 40.197 CTL2 2364 2368 2369 2370 -0.18 2370 2368 H41 SLES 1 -30.6716 -20.8467 40.319 HAL2 2367 0 0 0 0.09 2371 2369 H42 SLES 1 -29.3933 -22.0516 40.7416 HAL2 2367 0 0 0 0.09 2372 2370 C5 SLES 1 -30.322 -22.3872 38.7381 CTL2 2367 2371 2372 2373 -0.18 2373 2371 H51 SLES 1 -31.337 -22.2904 38.2686 HAL2 2370 0 0 0 0.09 2374 2372 H52 SLES 1 -30.0731 -23.4798 38.6864 HAL2 2370 0 0 0 0.09 2375 2373 C6 SLES 1 -29.3845 -21.7079 37.8365 CTL2 2370 2374 2375 2376 -0.18 2376 2374 H61 SLES 1 -29.9991 -21.3177 36.9804 HAL2 2373 0 0 0 0.09 2377 2375 H62 SLES 1 -28.7316 -22.5103 37.3994 HAL2 2373 0 0 0 0.09 2378 2376 C7 SLES 1 -28.5294 -20.5877 38.4412 CTL2 2373 2377 2378 2379 -0.18 2379 2377 H71 SLES 1 -29.1203 -19.7213 38.8217 HAL2 2376 0 0 0 0.09 2380 2378 H72 SLES 1 -27.8371 -20.9289 39.2456 HAL2 2376 0 0 0 0.09 2381 2379 C8 SLES 1 -27.7637 -20.1979 37.2291 CTL2 2376 2380 2381 2382 -0.18 2382 2380 H81 SLES 1 -28.525 -19.8887 36.459 HAL2 2379 0 0 0 0.09 2383 2381 H82 SLES 1 -27.2149 -21.1229 36.892 HAL2 2379 0 0 0 0.09 2384 2382 C9 SLES 1 -26.7552 -19.1045 37.293 CTL2 2379 2383 2384 2385 -0.18 2385 2383 H91 SLES 1 -27.2407 -18.1509 37.599 HAL2 2382 0 0 0 0.09 2386 2384 H92 SLES 1 -25.9553 -19.3615 38.0233 HAL2 2382 0 0 0 0.09 2387 2385 C10 SLES 1 -26.2696 -19.0967 35.845 CTL2 2382 2386 2387 2388 -0.18 2388 2386 H10 SLES 1 -27.1341 -18.906 35.1532 HAL2 2385 0 0 0 0.09 2389 2387 H10 SLES 1 -25.8582 -20.1072 35.5748 HAL2 2385 0 0 0 0.09 2390 2388 C11 SLES 1 -25.2145 -18.0847 35.5364 CTL2 2385 2389 2390 2391 -0.18 2391 2389 H11 SLES 1 -25.6337 -17.0819 35.785 HAL2 2388 0 0 0 0.09 2392 2390 H11 SLES 1 -24.3502 -18.2902 36.2095 HAL2 2388 0 0 0 0.09 2393 2391 C12 SLES 1 -24.8275 -18.1914 34.0586 CTL3 2388 2392 2393 2394 -0.27 2394 2392 H12 SLES 1 -25.049 -17.2392 33.5386 HAL3 2391 0 0 0 0.09 2395 2393 H12 SLES 1 -23.7563 -18.4562 33.9652 HAL3 2391 0 0 0 0.09 2396 2394 H12 SLES 1 -25.4009 -18.9884 33.5244 HAL3 2391 0 0 0 0.09 2397 2395 NA SLES 1 -27.8044 -38.3484 49.9505 NA 0 0 0 0 1 2398 2396 S SLES 1 -28.4096 -39.0356 47.0633 SL 2397 2398 2399 2400 1.33 2399 2397 OS1 SLES 1 -27.5135 -37.8687 46.9943 OSL 2396 2401 0 0 -0.28 2400 2398 OS2 SLES 1 -29.3505 -38.3005 47.8788 O2L 2396 0 0 0 -0.65 2401 2399 OS3 SLES 1 -27.4201 -39.7893 47.7984 O2L 2396 0 0 0 -0.65 2402 2400 OS4 SLES 1 -28.7388 -39.3876 45.7107 O2L 2396 0 0 0 -0.65 2403 2401 C2 SLES 1 -27.0288 -37.2424 45.8745 CC32A 2397 2402 2403 2404 -0.11 2404 2402 H2A SLES 1 -27.8689 -36.8405 45.2487 HCA2 2401 0 0 0 0.09 2405 2403 H2B SLES 1 -26.4021 -37.9439 45.2624 HCA2 2401 0 0 0 0.09 2406 2404 C1 SLES 1 -26.1811 -36.1042 46.4826 CC32A 2401 2405 2406 2407 -0.01 2407 2405 H1B SLES 1 -26.8123 -35.4299 47.1176 HCA2 2404 0 0 0 0.09 2408 2406 H1A SLES 1 -25.3537 -36.5164 47.1109 HCA2 2404 0 0 0 0.09 2409 2407 O1 SLES 1 -25.5222 -35.2299 45.6251 OC30A 2404 2408 0 0 -0.34 2410 2408 C2 SLES 1 -25.6821 -35.4193 44.231 CC32A 2407 2409 2410 2411 -0.01 2411 2409 H2A SLES 1 -26.7699 -35.3391 43.9452 HCA2 2408 0 0 0 0.09 2412 2410 H2B SLES 1 -25.3071 -36.4203 43.913 HCA2 2408 0 0 0 0.09 2413 2411 C1 SLES 1 -24.8737 -34.0845 44.0423 CC32A 2408 2412 2413 2414 -0.01 2414 2412 H1B SLES 1 -25.7351 -33.6265 43.5385 HCA2 2411 0 0 0 0.09 2415 2413 H1A SLES 1 -24.1334 -34.8229 43.5636 HCA2 2411 0 0 0 0.09 2416 2414 O1 SLES 1 -23.9264 -33.174 43.5467 OC30A 2411 2415 0 0 -0.34 2417 2415 C1 SLES 1 -23.9028 -32.9259 42.1482 CTL2 2414 2416 2417 2418 -0.18 2418 2416 H11 SLES 1 -24.8994 -32.7248 41.6649 HAL2 2415 0 0 0 0.09 2419 2417 H12 SLES 1 -23.4446 -33.7914 41.6063 HAL2 2415 0 0 0 0.09 2420 2418 C2 SLES 1 -23.0055 -31.6891 42.1347 CTL2 2415 2419 2420 2421 -0.18 2421 2419 H21 SLES 1 -23.4701 -30.7969 42.6191 HAL2 2418 0 0 0 0.09 2422 2420 H22 SLES 1 -22.0028 -31.8701 42.5931 HAL2 2418 0 0 0 0.09 2423 2421 C3 SLES 1 -22.8314 -31.4236 40.6941 CTL2 2418 2422 2423 2424 -0.18 2424 2422 H31 SLES 1 -23.8721 -31.2553 40.3042 HAL2 2421 0 0 0 0.09 2425 2423 H32 SLES 1 -22.3684 -32.3618 40.2804 HAL2 2421 0 0 0 0.09 2426 2424 C4 SLES 1 -21.9956 -30.2829 40.2109 CTL2 2421 2425 2426 2427 -0.18 2427 2425 H41 SLES 1 -22.3922 -29.3039 40.5771 HAL2 2424 0 0 0 0.09 2428 2426 H42 SLES 1 -20.9393 -30.3777 40.5558 HAL2 2424 0 0 0 0.09 2429 2427 C5 SLES 1 -22.1813 -30.5042 38.7037 CTL2 2424 2428 2429 2430 -0.18 2430 2428 H51 SLES 1 -23.27 -30.4701 38.4322 HAL2 2427 0 0 0 0.09 2431 2429 H52 SLES 1 -21.8336 -31.5299 38.4114 HAL2 2427 0 0 0 0.09 2432 2430 C6 SLES 1 -21.5024 -29.5664 37.8022 CTL2 2427 2431 2432 2433 -0.18 2433 2431 H61 SLES 1 -22.3016 -29.1284 37.1448 HAL2 2430 0 0 0 0.09 2434 2432 H62 SLES 1 -20.8612 -30.191 37.1239 HAL2 2430 0 0 0 0.09 2435 2433 C7 SLES 1 -20.672 -28.4548 38.4553 CTL2 2430 2434 2435 2436 -0.18 2436 2434 H71 SLES 1 -21.2697 -27.7501 39.0803 HAL2 2433 0 0 0 0.09 2437 2435 H72 SLES 1 -19.8114 -28.8259 39.0589 HAL2 2433 0 0 0 0.09 2438 2436 C8 SLES 1 -20.1879 -27.7725 37.2274 CTL2 2433 2437 2438 2439 -0.18 2439 2437 H81 SLES 1 -21.1062 -27.4476 36.6623 HAL2 2436 0 0 0 0.09 2440 2438 H82 SLES 1 -19.6172 -28.5473 36.6405 HAL2 2436 0 0 0 0.09 2441 2439 C9 SLES 1 -19.3046 -26.5781 37.3264 CTL2 2436 2440 2441 2442 -0.18 2442 2440 H91 SLES 1 -19.8221 -25.7617 37.8782 HAL2 2439 0 0 0 0.09 2443 2441 H92 SLES 1 -18.3614 -26.8404 37.8563 HAL2 2439 0 0 0 0.09 2444 2442 C10 SLES 1 -19.0979 -26.2685 35.8452 CTL2 2439 2443 2444 2445 -0.18 2445 2443 H10 SLES 1 -20.0903 -26.0861 35.351 HAL2 2442 0 0 0 0.09 2446 2444 H10 SLES 1 -18.6403 -27.1564 35.3298 HAL2 2442 0 0 0 0.09 2447 2445 C11 SLES 1 -18.2294 -25.0865 35.5605 CTL2 2442 2446 2447 2448 -0.18 2448 2446 H11 SLES 1 -18.6978 -24.2037 36.0549 HAL2 2445 0 0 0 0.09 2449 2447 H11 SLES 1 -17.239 -25.2804 36.034 HAL2 2445 0 0 0 0.09 2450 2448 C12 SLES 1 -18.1126 -24.8973 34.0455 CTL3 2445 2449 2450 2451 -0.27 2451 2449 H12 SLES 1 -18.5243 -23.9118 33.7532 HAL3 2448 0 0 0 0.09 2452 2450 H12 SLES 1 -17.0552 -24.9961 33.7312 HAL3 2448 0 0 0 0.09 2453 2451 H12 SLES 1 -18.6883 -25.6665 33.4742 HAL3 2448 0 0 0 0.09 2454 2452 NA SLES 1 -14.0099 -45.3269 49.8589 NA 0 0 0 0 1 2455 2453 S SLES 1 -15.1743 -45.8011 47.1032 SL 2454 2455 2456 2457 1.33 2456 2454 OS1 SLES 1 -14.4475 -44.5249 46.992 OSL 2453 2458 0 0 -0.28 2457 2455 OS2 SLES 1 -15.9799 -45.2806 48.1852 O2L 2453 0 0 0 -0.65 2458 2456 OS3 SLES 1 -13.9694 -46.4859 47.5114 O2L 2453 0 0 0 -0.65 2459 2457 OS4 SLES 1 -15.7608 -46.059 45.8182 O2L 2453 0 0 0 -0.65 2460 2458 C2 SLES 1 -14.2982 -43.7331 45.8821 CC32A 2454 2459 2460 2461 -0.11 2461 2459 H2A SLES 1 -15.2961 -43.3863 45.5041 HCA2 2458 0 0 0 0.09 2462 2460 H2B SLES 1 -13.7545 -44.282 45.0681 HCA2 2458 0 0 0 0.09 2463 2461 C1 SLES 1 -13.4622 -42.5582 46.4338 CC32A 2458 2462 2463 2464 -0.01 2464 2462 H1B SLES 1 -14.0022 -42.0388 47.2675 HCA2 2461 0 0 0 0.09 2465 2463 H1A SLES 1 -12.475 -42.917 46.8156 HCA2 2461 0 0 0 0.09 2466 2464 O1 SLES 1 -13.1117 -41.5244 45.5721 OC30A 2461 2465 0 0 -0.34 2467 2465 C2 SLES 1 -13.561 -41.5954 44.2313 CC32A 2464 2466 2467 2468 -0.01 2468 2466 H2A SLES 1 -14.6874 -41.632 44.1952 HCA2 2465 0 0 0 0.09 2469 2467 H2B SLES 1 -13.1625 -42.5019 43.7184 HCA2 2465 0 0 0 0.09 2470 2468 C1 SLES 1 -12.9642 -40.1534 44.0436 CC32A 2465 2469 2470 2471 -0.01 2471 2469 H1B SLES 1 -13.9612 -39.7661 43.7954 HCA2 2468 0 0 0 0.09 2472 2470 H1A SLES 1 -12.2762 -40.7369 43.3303 HCA2 2468 0 0 0 0.09 2473 2471 O1 SLES 1 -12.2566 -39.0814 43.476 OC30A 2468 2472 0 0 -0.34 2474 2472 C1 SLES 1 -12.5762 -38.6962 42.1466 CTL2 2471 2473 2474 2475 -0.18 2475 2473 H11 SLES 1 -13.6719 -38.5821 41.9149 HAL2 2472 0 0 0 0.09 2476 2474 H12 SLES 1 -12.1621 -39.436 41.416 HAL2 2472 0 0 0 0.09 2477 2475 C2 SLES 1 -11.8432 -37.3564 42.0977 CTL2 2472 2476 2477 2478 -0.18 2478 2476 H21 SLES 1 -12.2793 -36.5853 42.7773 HAL2 2475 0 0 0 0.09 2479 2477 H22 SLES 1 -10.7493 -37.4473 42.3065 HAL2 2475 0 0 0 0.09 2480 2478 C3 SLES 1 -12.0285 -36.9299 40.6976 CTL2 2475 2479 2480 2481 -0.18 2481 2479 H31 SLES 1 -13.1422 -36.8633 40.5617 HAL2 2478 0 0 0 0.09 2482 2480 H32 SLES 1 -11.573 -37.7535 40.0812 HAL2 2478 0 0 0 0.09 2483 2481 C4 SLES 1 -11.4507 -35.6469 40.1946 CTL2 2478 2482 2483 2484 -0.18 2484 2482 H41 SLES 1 -11.857 -34.7696 40.756 HAL2 2481 0 0 0 0.09 2485 2483 H42 SLES 1 -10.3398 -35.6346 40.2928 HAL2 2481 0 0 0 0.09 2486 2484 C5 SLES 1 -11.9472 -35.7416 38.7456 CTL2 2481 2485 2486 2487 -0.18 2487 2485 H51 SLES 1 -13.0662 -35.8252 38.7177 HAL2 2484 0 0 0 0.09 2488 2486 H52 SLES 1 -11.5665 -36.6786 38.2603 HAL2 2484 0 0 0 0.09 2489 2487 C6 SLES 1 -11.594 -34.6383 37.8449 CTL2 2484 2488 2489 2490 -0.18 2490 2488 H61 SLES 1 -12.5633 -34.2474 37.4321 HAL2 2487 0 0 0 0.09 2491 2489 H62 SLES 1 -11.0593 -35.103 36.9734 HAL2 2487 0 0 0 0.09 2492 2490 C7 SLES 1 -10.7618 -33.4963 38.4405 CTL2 2487 2491 2492 2493 -0.18 2493 2491 H71 SLES 1 -11.2749 -32.9416 39.2613 HAL2 2490 0 0 0 0.09 2494 2492 H72 SLES 1 -9.75237 -33.8079 38.7966 HAL2 2490 0 0 0 0.09 2495 2493 C8 SLES 1 -10.6436 -32.6387 37.233 CTL2 2490 2494 2495 2496 -0.18 2496 2494 H81 SLES 1 -11.6952 -32.3841 36.9209 HAL2 2493 0 0 0 0.09 2497 2495 H82 SLES 1 -10.1404 -33.2698 36.4463 HAL2 2493 0 0 0 0.09 2498 2496 C9 SLES 1 -9.89408 -31.3535 37.2908 CTL2 2493 2497 2498 2499 -0.18 2499 2497 H91 SLES 1 -10.3581 -30.6709 38.0374 HAL2 2496 0 0 0 0.09 2500 2498 H92 SLES 1 -8.83303 -31.5396 37.5714 HAL2 2496 0 0 0 0.09 2501 2499 C10 SLES 1 -10.0617 -30.8753 35.85 CTL2 2496 2500 2501 2502 -0.18 2502 2500 H10 SLES 1 -11.1538 -30.778 35.6045 HAL2 2499 0 0 0 0.09 2503 2501 H10 SLES 1 -9.63982 -31.6399 35.1424 HAL2 2499 0 0 0 0.09 2504 2502 C11 SLES 1 -9.41187 -29.5667 35.5375 CTL2 2499 2503 2504 2505 -0.18 2505 2503 H11 SLES 1 -9.84846 -28.8064 36.2264 HAL2 2502 0 0 0 0.09 2506 2504 H11 SLES 1 -8.32528 -29.6735 35.762 HAL2 2502 0 0 0 0.09 2507 2505 C12 SLES 1 -9.66127 -29.2158 34.068 CTL3 2502 2506 2507 2508 -0.27 2508 2506 H12 SLES 1 -10.2316 -28.2694 33.9953 HAL3 2505 0 0 0 0.09 2509 2507 H12 SLES 1 -8.6979 -29.1425 33.5267 HAL3 2505 0 0 0 0.09 2510 2508 H12 SLES 1 -10.2652 -29.9945 33.5404 HAL3 2505 0 0 0 0.09 2511 2509 NA SLES 1 1.2519 -47.6243 49.6158 NA 0 0 0 0 1 2512 2510 S SLES 1 -0.48998 -48.1745 47.1998 SL 2511 2512 2513 2514 1.33 2513 2511 OS1 SLES 1 0.0356554 -46.8155 46.9852 OSL 2510 2515 0 0 -0.28 2514 2512 OS2 SLES 1 -1.06018 -47.784 48.4698 O2L 2510 0 0 0 -0.65 2515 2513 OS3 SLES 1 0.848698 -48.7134 47.2692 O2L 2510 0 0 0 -0.65 2516 2514 OS4 SLES 1 -1.34 -48.4729 46.0816 O2L 2510 0 0 0 -0.65 2517 2515 C2 SLES 1 -0.183811 -45.9852 45.9158 CC32A 2511 2516 2517 2518 -0.11 2518 2516 H2A SLES 1 -1.27696 -45.7565 45.8079 HCA2 2515 0 0 0 0.09 2519 2517 H2B SLES 1 0.203164 -46.4428 44.9669 HCA2 2515 0 0 0 0.09 2520 2518 C1 SLES 1 0.621073 -44.7287 46.3121 CC32A 2515 2519 2520 2521 -0.01 2521 2519 H1B SLES 1 0.245908 -44.3005 47.2776 HCA2 2518 0 0 0 0.09 2522 2520 H1A SLES 1 1.7063 -44.9708 46.4256 HCA2 2518 0 0 0 0.09 2523 2521 O1 SLES 1 0.6284 -43.6392 45.4477 OC30A 2518 2522 0 0 -0.34 2524 2522 C2 SLES 1 -0.124691 -43.734 44.2524 CC32A 2521 2523 2524 2525 -0.01 2525 2523 H2A SLES 1 -1.21367 -43.9096 44.4863 HCA2 2522 0 0 0 0.09 2526 2524 H2B SLES 1 0.23748 -44.5714 43.6112 HCA2 2522 0 0 0 0.09 2527 2525 C1 SLES 1 0.238069 -42.2248 44.0038 CC32A 2522 2526 2527 2528 -0.01 2528 2526 H1B SLES 1 -0.827066 -41.9589 44.0237 HCA2 2525 0 0 0 0.09 2529 2527 H1A SLES 1 0.792486 -42.7011 43.116 HCA2 2525 0 0 0 0.09 2530 2528 O1 SLES 1 0.656792 -41.06 43.3407 OC30A 2525 2529 0 0 -0.34 2531 2529 C1 SLES 1 -0.0211082 -40.6863 42.1496 CTL2 2528 2530 2531 2532 -0.18 2532 2530 H11 SLES 1 -1.1458 -40.704 42.1946 HAL2 2529 0 0 0 0.09 2533 2531 H12 SLES 1 0.28348 -41.3513 41.3025 HAL2 2529 0 0 0 0.09 2534 2532 C2 SLES 1 0.518503 -39.2648 41.9973 CTL2 2529 2533 2534 2535 -0.18 2535 2533 H21 SLES 1 0.176663 -38.5703 42.8019 HAL2 2532 0 0 0 0.09 2536 2534 H22 SLES 1 1.63312 -39.2238 41.9319 HAL2 2532 0 0 0 0.09 2537 2535 C3 SLES 1 -0.0521241 -38.8317 40.7077 CTL2 2532 2536 2537 2538 -0.18 2538 2536 H31 SLES 1 -1.16526 -38.9011 40.8473 HAL2 2535 0 0 0 0.09 2539 2537 H32 SLES 1 0.329941 -39.5774 39.9569 HAL2 2535 0 0 0 0.09 2540 2538 C4 SLES 1 0.233177 -37.4752 40.1495 CTL2 2535 2539 2540 2541 -0.18 2541 2539 H41 SLES 1 -0.121143 -36.6689 40.8381 HAL2 2538 0 0 0 0.09 2542 2540 H42 SLES 1 1.32523 -37.3271 39.9782 HAL2 2538 0 0 0 0.09 2543 2541 C5 SLES 1 -0.589096 -37.5968 38.8595 CTL2 2538 2542 2543 2544 -0.18 2544 2542 H51 SLES 1 -1.66356 -37.8184 39.0971 HAL2 2541 0 0 0 0.09 2545 2543 H52 SLES 1 -0.233893 -38.4674 38.2477 HAL2 2541 0 0 0 0.09 2546 2544 C6 SLES 1 -0.596769 -36.4371 37.9604 CTL2 2541 2545 2546 2547 -0.18 2547 2545 H61 SLES 1 -1.67606 -36.1602 37.8143 HAL2 2544 0 0 0 0.09 2548 2546 H62 SLES 1 -0.242321 -36.8108 36.9625 HAL2 2544 0 0 0 0.09 2549 2547 C7 SLES 1 0.219079 -35.2147 38.3985 CTL2 2544 2548 2549 2550 -0.18 2550 2548 H71 SLES 1 -0.137471 -34.7478 39.3468 HAL2 2547 0 0 0 0.09 2551 2549 H72 SLES 1 1.31388 -35.4065 38.4842 HAL2 2547 0 0 0 0.09 2552 2550 C8 SLES 1 -0.0617829 -34.3208 37.2454 CTL2 2547 2551 2552 2553 -0.18 2553 2551 H81 SLES 1 -1.1799 -34.1918 37.2093 HAL2 2550 0 0 0 0.09 2554 2552 H82 SLES 1 0.302254 -34.8656 36.3283 HAL2 2550 0 0 0 0.09 2555 2553 C9 SLES 1 0.526095 -32.954 37.1897 CTL2 2550 2554 2555 2556 -0.18 2556 2554 H91 SLES 1 0.183926 -32.3524 38.0612 HAL2 2553 0 0 0 0.09 2557 2555 H92 SLES 1 1.63769 -33.0131 37.1965 HAL2 2553 0 0 0 0.09 2558 2556 C10 SLES 1 -0.0435056 -32.4665 35.8591 CTL2 2553 2557 2558 2559 -0.18 2559 2557 H10 SLES 1 -1.1661 -32.5002 35.8889 HAL2 2556 0 0 0 0.09 2560 2558 H10 SLES 1 0.277096 -33.1557 35.031 HAL2 2556 0 0 0 0.09 2561 2559 C11 SLES 1 0.355008 -31.0801 35.4696 CTL2 2556 2560 2561 2562 -0.18 2562 2560 H11 SLES 1 0.0162057 -30.3967 36.2828 HAL2 2559 0 0 0 0.09 2563 2561 H11 SLES 1 1.46831 -31.0561 35.4202 HAL2 2559 0 0 0 0.09 2564 2562 C12 SLES 1 -0.285688 -30.7283 34.124 CTL3 2559 2563 2564 2565 -0.27 2565 2563 H12 SLES 1 -0.961353 -29.8589 34.2411 HAL3 2562 0 0 0 0.09 2566 2564 H12 SLES 1 0.500563 -30.523 33.3716 HAL3 2562 0 0 0 0.09 2567 2565 H12 SLES 1 -0.906853 -31.5635 33.7164 HAL3 2562 0 0 0 0.09 2568 2566 NA SLES 1 16.4202 -45.039 49.2451 NA 0 0 0 0 1 2569 2567 S SLES 1 14.2309 -45.9138 47.3435 SL 2568 2569 2570 2571 1.33 2570 2568 OS1 SLES 1 14.5161 -44.5167 46.9745 OSL 2567 2572 0 0 -0.28 2571 2569 OS2 SLES 1 13.9388 -45.5244 48.705 O2L 2567 0 0 0 -0.65 2572 2570 OS3 SLES 1 15.6034 -46.2907 47.0953 O2L 2567 0 0 0 -0.65 2573 2571 OS4 SLES 1 13.1809 -46.3671 46.4752 O2L 2567 0 0 0 -0.65 2574 2572 C2 SLES 1 13.9443 -43.7753 45.9722 CC32A 2568 2573 2574 2575 -0.11 2575 2573 H2A SLES 1 12.8376 -43.6799 46.1302 HCA2 2572 0 0 0 0.09 2576 2574 H2B SLES 1 14.1456 -44.2353 44.9685 HCA2 2572 0 0 0 0.09 2577 2575 C1 SLES 1 14.658 -42.4153 46.1293 CC32A 2572 2576 2577 2578 -0.01 2578 2576 H1B SLES 1 14.4757 -41.9823 47.1469 HCA2 2575 0 0 0 0.09 2579 2577 H1A SLES 1 15.7601 -42.5247 45.979 HCA2 2575 0 0 0 0.09 2580 2578 O1 SLES 1 14.3215 -41.3799 45.264 OC30A 2575 2579 0 0 -0.34 2581 2579 C2 SLES 1 13.321 -41.6241 44.2924 CC32A 2578 2580 2581 2582 -0.01 2582 2580 H2A SLES 1 12.3508 -41.9111 44.7902 HCA2 2579 0 0 0 0.09 2583 2581 H2B SLES 1 13.6197 -42.4473 43.6019 HCA2 2579 0 0 0 0.09 2584 2582 C1 SLES 1 13.4225 -40.0987 43.9268 CC32A 2579 2583 2584 2585 -0.01 2585 2583 H1B SLES 1 12.3688 -39.9563 44.201 HCA2 2582 0 0 0 0.09 2586 2584 H1A SLES 1 13.802 -40.5546 42.9417 HCA2 2582 0 0 0 0.09 2587 2585 O1 SLES 1 13.5211 -38.9304 43.154 OC30A 2582 2586 0 0 -0.34 2588 2586 C1 SLES 1 12.5356 -38.7011 42.1569 CTL2 2585 2587 2588 2589 -0.18 2589 2587 H11 SLES 1 11.4659 -38.8456 42.4767 HAL2 2586 0 0 0 0.09 2590 2588 H12 SLES 1 12.7079 -39.3709 41.277 HAL2 2586 0 0 0 0.09 2591 2589 C2 SLES 1 12.8414 -37.2372 41.8434 CTL2 2586 2590 2591 2592 -0.18 2592 2590 H21 SLES 1 12.6194 -36.5447 42.6907 HAL2 2589 0 0 0 0.09 2593 2591 H22 SLES 1 13.8936 -37.0718 41.5058 HAL2 2589 0 0 0 0.09 2594 2592 C3 SLES 1 11.9281 -36.9419 40.7232 CTL2 2589 2593 2594 2595 -0.18 2595 2593 H31 SLES 1 10.8987 -37.1312 41.1331 HAL2 2592 0 0 0 0.09 2596 2594 H32 SLES 1 12.2082 -37.6777 39.9195 HAL2 2592 0 0 0 0.09 2597 2595 C4 SLES 1 11.8996 -35.5933 40.0802 CTL2 2592 2596 2597 2598 -0.18 2598 2596 H41 SLES 1 11.6237 -34.7975 40.8154 HAL2 2595 0 0 0 0.09 2599 2597 H42 SLES 1 12.8913 -35.3299 39.643 HAL2 2595 0 0 0 0.09 2600 2598 C5 SLES 1 10.813 -35.8771 39.0344 CTL2 2595 2599 2600 2601 -0.18 2601 2599 H51 SLES 1 9.86342 -36.2078 39.5334 HAL2 2598 0 0 0 0.09 2602 2600 H52 SLES 1 11.1162 -36.7324 38.3749 HAL2 2598 0 0 0 0.09 2603 2601 C6 SLES 1 10.445 -34.7755 38.1375 CTL2 2598 2602 2603 2604 -0.18 2604 2602 H61 SLES 1 9.33646 -34.6328 38.2539 HAL2 2601 0 0 0 0.09 2605 2603 H62 SLES 1 10.5928 -35.1587 37.0922 HAL2 2601 0 0 0 0.09 2606 2604 C7 SLES 1 11.1836 -33.4459 38.3331 CTL2 2601 2605 2606 2607 -0.18 2607 2605 H71 SLES 1 11.0102 -32.9732 39.3287 HAL2 2604 0 0 0 0.09 2608 2606 H72 SLES 1 12.282 -33.5057 38.1524 HAL2 2604 0 0 0 0.09 2609 2607 C8 SLES 1 10.5246 -32.6529 37.2633 CTL2 2604 2608 2609 2610 -0.18 2610 2608 H81 SLES 1 9.42354 -32.6554 37.4994 HAL2 2607 0 0 0 0.09 2611 2609 H82 SLES 1 10.7224 -33.2003 36.2981 HAL2 2607 0 0 0 0.09 2612 2610 C9 SLES 1 10.907 -31.2325 37.0329 CTL2 2607 2611 2612 2613 -0.18 2613 2611 H91 SLES 1 10.7123 -30.6286 37.9472 HAL2 2610 0 0 0 0.09 2614 2612 H92 SLES 1 11.986 -31.163 36.7684 HAL2 2610 0 0 0 0.09 2615 2613 C10 SLES 1 9.97799 -30.8853 35.8714 CTL2 2610 2614 2615 2616 -0.18 2616 2614 H10 SLES 1 8.90869 -31.0462 36.1763 HAL2 2613 0 0 0 0.09 2617 2615 H10 SLES 1 10.1733 -31.5762 35.0065 HAL2 2613 0 0 0 0.09 2618 2616 C11 SLES 1 10.0954 -29.485 35.3635 CTL2 2613 2617 2618 2619 -0.18 2619 2617 H11 SLES 1 9.87966 -28.8027 36.2185 HAL2 2616 0 0 0 0.09 2620 2618 H11 SLES 1 11.1522 -29.3358 35.042 HAL2 2616 0 0 0 0.09 2621 2619 C12 SLES 1 9.11124 -29.2815 34.2081 CTL3 2616 2620 2621 2622 -0.27 2622 2620 H12 SLES 1 8.38073 -28.4905 34.4667 HAL3 2619 0 0 0 0.09 2623 2621 H12 SLES 1 9.66162 -29.0274 33.2813 HAL3 2619 0 0 0 0.09 2624 2622 H12 SLES 1 8.51924 -30.203 33.9851 HAL3 2619 0 0 0 0.09 2625 2623 NA SLES 1 29.9697 -37.8825 48.7829 NA 0 0 0 0 1 2626 2624 S SLES 1 27.5621 -39.2179 47.5203 SL 2625 2626 2627 2628 1.33 2627 2625 OS1 SLES 1 27.5752 -37.8554 46.9611 OSL 2624 2629 0 0 -0.28 2628 2626 OS2 SLES 1 27.5167 -38.695 48.8676 O2L 2624 0 0 0 -0.65 2629 2627 OS3 SLES 1 28.8881 -39.4735 47.0068 O2L 2624 0 0 0 -0.65 2630 2628 OS4 SLES 1 26.4211 -39.8862 46.9605 O2L 2624 0 0 0 -0.65 2631 2629 C2 SLES 1 26.7108 -37.3108 46.046 CC32A 2625 2630 2631 2632 -0.11 2632 2630 H2A SLES 1 25.6602 -37.3156 46.4397 HCA2 2629 0 0 0 0.09 2633 2631 H2B SLES 1 26.7535 -37.8683 45.0729 HCA2 2629 0 0 0 0.09 2634 2632 C1 SLES 1 27.2554 -35.8732 45.9034 CC32A 2629 2633 2634 2635 -0.01 2635 2633 H1B SLES 1 27.2376 -35.3384 46.8883 HCA2 2632 0 0 0 0.09 2636 2634 H1A SLES 1 28.305 -35.8815 45.5195 HCA2 2632 0 0 0 0.09 2637 2635 O1 SLES 1 26.6091 -34.996 45.039 OC30A 2632 2636 0 0 -0.34 2638 2636 C2 SLES 1 25.4664 -35.4657 44.3473 CC32A 2635 2637 2638 2639 -0.01 2639 2637 H2A SLES 1 24.6706 -35.7907 45.0771 HCA2 2636 0 0 0 0.09 2640 2638 H2B SLES 1 25.7179 -36.3319 43.6915 HCA2 2636 0 0 0 0.09 2641 2639 C1 SLES 1 25.2854 -33.9959 43.8202 CC32A 2636 2640 2641 2642 -0.01 2642 2640 H1B SLES 1 24.3046 -33.9343 44.3099 HCA2 2639 0 0 0 0.09 2643 2641 H1A SLES 1 25.5041 -34.5281 42.8245 HCA2 2639 0 0 0 0.09 2644 2642 O1 SLES 1 25.0624 -32.9296 42.9341 OC30A 2639 2643 0 0 -0.34 2645 2643 C1 SLES 1 23.8663 -32.9338 42.1678 CTL2 2642 2644 2645 2646 -0.18 2646 2644 H11 SLES 1 22.9176 -33.1511 42.7336 HAL2 2643 0 0 0 0.09 2647 2645 H12 SLES 1 23.9349 -33.6859 41.3419 HAL2 2643 0 0 0 0.09 2648 2646 C2 SLES 1 23.9024 -31.4962 41.6511 CTL2 2643 2647 2648 2649 -0.18 2649 2647 H21 SLES 1 23.7756 -30.7311 42.4544 HAL2 2646 0 0 0 0.09 2650 2648 H22 SLES 1 24.8276 -31.2624 41.07 HAL2 2646 0 0 0 0.09 2651 2649 C3 SLES 1 22.7413 -31.443 40.7427 CTL2 2646 2650 2651 2652 -0.18 2652 2650 H31 SLES 1 21.8566 -31.6889 41.391 HAL2 2649 0 0 0 0.09 2653 2651 H32 SLES 1 22.9391 -32.2391 39.9727 HAL2 2649 0 0 0 0.09 2654 2652 C4 SLES 1 22.399 -30.1962 39.9935 CTL2 2649 2653 2654 2655 -0.18 2655 2653 H41 SLES 1 22.1826 -29.349 40.6901 HAL2 2652 0 0 0 0.09 2656 2654 H42 SLES 1 23.2315 -29.8846 39.3198 HAL2 2652 0 0 0 0.09 2657 2655 C5 SLES 1 21.1624 -30.7234 39.2532 CTL2 2652 2656 2657 2658 -0.18 2658 2656 H51 SLES 1 20.3926 -31.0891 39.9837 HAL2 2655 0 0 0 0.09 2659 2657 H52 SLES 1 21.4291 -31.6169 38.6296 HAL2 2655 0 0 0 0.09 2660 2658 C6 SLES 1 20.4702 -29.7885 38.3588 CTL2 2655 2659 2660 2661 -0.18 2661 2659 H61 SLES 1 19.4026 -29.7521 38.7079 HAL2 2658 0 0 0 0.09 2662 2660 H62 SLES 1 20.442 -30.2812 37.3499 HAL2 2658 0 0 0 0.09 2663 2661 C7 SLES 1 21.0509 -28.3733 38.251 CTL2 2658 2662 2663 2664 -0.18 2664 2662 H71 SLES 1 21.0319 -27.8012 39.2085 HAL2 2661 0 0 0 0.09 2665 2663 H72 SLES 1 22.084 -28.3371 37.8335 HAL2 2661 0 0 0 0.09 2666 2664 C8 SLES 1 20.0811 -27.7955 37.285 CTL2 2661 2665 2666 2667 -0.18 2667 2665 H81 SLES 1 19.0654 -27.8866 37.7628 HAL2 2664 0 0 0 0.09 2668 2666 H82 SLES 1 20.14 -28.4349 36.3586 HAL2 2664 0 0 0 0.09 2669 2667 C9 SLES 1 20.2145 -26.3823 36.8358 CTL2 2664 2668 2669 2670 -0.18 2670 2668 H91 SLES 1 20.1403 -25.6933 37.7066 HAL2 2667 0 0 0 0.09 2671 2669 H92 SLES 1 21.194 -26.231 36.3289 HAL2 2667 0 0 0 0.09 2672 2670 C10 SLES 1 19.0227 -26.2847 35.8858 CTL2 2667 2671 2672 2673 -0.18 2673 2671 H10 SLES 1 18.0733 -26.52 36.4386 HAL2 2670 0 0 0 0.09 2674 2672 H10 SLES 1 19.1196 -27.0533 35.0713 HAL2 2670 0 0 0 0.09 2675 2673 C11 SLES 1 18.8434 -24.9544 35.2294 CTL2 2670 2674 2675 2676 -0.18 2676 2674 H11 SLES 1 18.7258 -24.1977 36.0398 HAL2 2673 0 0 0 0.09 2677 2675 H11 SLES 1 19.7787 -24.734 34.6646 HAL2 2673 0 0 0 0.09 2678 2676 C12 SLES 1 17.6184 -25.0036 34.3119 CTL3 2673 2677 2678 2679 -0.27 2679 2677 H12 SLES 1 16.8614 -24.2695 34.6498 HAL3 2676 0 0 0 0.09 2680 2678 H12 SLES 1 17.921 -24.8098 33.2644 HAL3 2676 0 0 0 0.09 2681 2679 H12 SLES 1 17.1197 -26.0039 34.32 HAL3 2676 0 0 0 0.09 2682 2680 NA SLES 1 40.5758 -26.9263 48.2746 NA 0 0 0 0 1 2683 2681 S SLES 1 38.1972 -28.7154 47.713 SL 2682 2683 2684 2685 1.33 2684 2682 OS1 SLES 1 37.9346 -27.4857 46.9461 OSL 2681 2686 0 0 -0.28 2685 2683 OS2 SLES 1 38.3021 -27.9606 48.9417 O2L 2681 0 0 0 -0.65 2686 2684 OS3 SLES 1 39.4438 -28.9216 47.0124 O2L 2681 0 0 0 -0.65 2687 2685 OS4 SLES 1 37.0811 -29.5909 47.4899 O2L 2681 0 0 0 -0.65 2688 2686 C2 SLES 1 36.8669 -27.2124 46.1297 CC32A 2682 2687 2688 2689 -0.11 2689 2687 H2A SLES 1 35.9051 -27.2542 46.7059 HCA2 2686 0 0 0 0.09 2690 2688 H2B SLES 1 36.8252 -27.9323 45.2697 HCA2 2686 0 0 0 0.09 2691 2689 C1 SLES 1 37.1815 -25.7769 45.6564 CC32A 2686 2690 2691 2692 -0.01 2692 2690 H1B SLES 1 37.2526 -25.0745 46.527 HCA2 2689 0 0 0 0.09 2693 2691 H1A SLES 1 38.1458 -25.7464 45.0922 HCA2 2689 0 0 0 0.09 2694 2692 O1 SLES 1 36.2903 -25.1466 44.7947 OC30A 2689 2693 0 0 -0.34 2695 2693 C2 SLES 1 35.1241 -25.8524 44.4118 CC32A 2692 2694 2695 2696 -0.01 2696 2694 H2A SLES 1 34.5095 -26.1184 45.3189 HCA2 2693 0 0 0 0.09 2697 2695 H2B SLES 1 35.3799 -26.7936 43.8712 HCA2 2693 0 0 0 0.09 2698 2696 C1 SLES 1 34.6626 -24.5321 43.6944 CC32A 2693 2697 2698 2699 -0.01 2699 2697 H1B SLES 1 33.7756 -24.4838 44.3398 HCA2 2696 0 0 0 0.09 2700 2698 H1A SLES 1 34.7857 -25.213 42.7759 HCA2 2696 0 0 0 0.09 2701 2699 O1 SLES 1 34.1559 -23.6767 42.7027 OC30A 2696 2700 0 0 -0.34 2702 2700 C1 SLES 1 32.8624 -23.9469 42.1813 CTL2 2699 2701 2702 2703 -0.18 2703 2701 H11 SLES 1 32.057 -24.1539 42.9401 HAL2 2700 0 0 0 0.09 2704 2702 H12 SLES 1 32.8964 -24.8271 41.4909 HAL2 2700 0 0 0 0.09 2705 2703 C2 SLES 1 32.6191 -22.6335 41.4392 CTL2 2700 2704 2705 2706 -0.18 2706 2704 H21 SLES 1 32.5229 -21.7509 42.1162 HAL2 2703 0 0 0 0.09 2707 2705 H22 SLES 1 33.3968 -22.4157 40.6672 HAL2 2703 0 0 0 0.09 2708 2706 C3 SLES 1 31.3289 -22.8702 40.7642 CTL2 2703 2707 2708 2709 -0.18 2709 2707 H31 SLES 1 30.6034 -23.0833 41.5959 HAL2 2706 0 0 0 0.09 2710 2708 H32 SLES 1 31.5042 -23.7696 40.1114 HAL2 2706 0 0 0 0.09 2711 2709 C4 SLES 1 30.7035 -21.8256 39.8977 CTL2 2706 2710 2711 2712 -0.18 2712 2710 H41 SLES 1 30.4914 -20.8918 40.4745 HAL2 2709 0 0 0 0.09 2713 2711 H42 SLES 1 31.3651 -21.5585 39.0404 HAL2 2709 0 0 0 0.09 2714 2712 C5 SLES 1 29.4455 -22.6064 39.4943 CTL2 2709 2713 2714 2715 -0.18 2715 2713 H51 SLES 1 28.8618 -22.9094 40.404 HAL2 2712 0 0 0 0.09 2716 2714 H52 SLES 1 29.7251 -23.5669 38.9866 HAL2 2712 0 0 0 0.09 2717 2715 C6 SLES 1 28.4966 -21.9299 38.6026 CTL2 2712 2716 2717 2718 -0.18 2718 2716 H61 SLES 1 27.5054 -21.9413 39.132 HAL2 2715 0 0 0 0.09 2719 2717 H62 SLES 1 28.3711 -22.6005 37.7104 HAL2 2715 0 0 0 0.09 2720 2718 C7 SLES 1 28.8554 -20.5062 38.16 CTL2 2715 2719 2720 2721 -0.18 2721 2719 H71 SLES 1 28.9158 -19.7725 38.9982 HAL2 2718 0 0 0 0.09 2722 2720 H72 SLES 1 29.7919 -20.44 37.559 HAL2 2718 0 0 0 0.09 2723 2721 C8 SLES 1 27.6718 -20.2209 37.3084 CTL2 2718 2722 2723 2724 -0.18 2724 2722 H81 SLES 1 26.7695 -20.3278 37.9736 HAL2 2721 0 0 0 0.09 2725 2723 H82 SLES 1 27.6646 -21.0104 36.504 HAL2 2721 0 0 0 0.09 2726 2724 C9 SLES 1 27.5379 -18.9087 36.6177 CTL2 2721 2725 2726 2727 -0.18 2727 2725 H91 SLES 1 27.5143 -18.0825 37.3629 HAL2 2724 0 0 0 0.09 2728 2726 H92 SLES 1 28.392 -18.7521 35.9211 HAL2 2724 0 0 0 0.09 2729 2727 C10 SLES 1 26.2049 -19.1129 35.9008 CTL2 2724 2728 2729 2730 -0.18 2730 2728 H10 SLES 1 25.3991 -19.3399 36.6501 HAL2 2727 0 0 0 0.09 2731 2729 H10 SLES 1 26.2705 -20.0041 35.2191 HAL2 2727 0 0 0 0.09 2732 2730 C11 SLES 1 25.7427 -17.9526 35.0807 CTL2 2727 2731 2732 2733 -0.18 2733 2731 H11 SLES 1 25.6578 -17.0759 35.7642 HAL2 2730 0 0 0 0.09 2734 2732 H11 SLES 1 26.5348 -17.7438 34.3247 HAL2 2730 0 0 0 0.09 2735 2733 C12 SLES 1 24.4025 -18.2977 34.4254 CTL3 2730 2734 2735 2736 -0.27 2736 2734 H12 SLES 1 23.6186 -17.5969 34.7727 HAL3 2733 0 0 0 0.09 2737 2735 H12 SLES 1 24.501 -18.2699 33.3226 HAL3 2733 0 0 0 0.09 2738 2736 H12 SLES 1 24.0516 -19.3258 34.6885 HAL3 2733 0 0 0 0.09 2739 2737 NA SLES 1 47.2432 -13.2993 47.7699 NA 0 0 0 0 1 2740 2738 S SLES 1 45.0785 -15.4136 47.9025 SL 2739 2740 2741 2742 1.33 2741 2739 OS1 SLES 1 44.5816 -14.4243 46.9311 OSL 2738 2743 0 0 -0.28 2742 2740 OS2 SLES 1 45.2029 -14.394 48.9201 O2L 2738 0 0 0 -0.65 2743 2741 OS3 SLES 1 46.2665 -15.6377 47.1115 O2L 2738 0 0 0 -0.65 2744 2742 OS4 SLES 1 44.0714 -16.4314 48.0116 O2L 2738 0 0 0 -0.65 2745 2743 C2 SLES 1 43.4121 -14.4586 46.2153 CC32A 2739 2744 2745 2746 -0.11 2746 2744 H2A SLES 1 42.5255 -14.4721 46.9028 HCA2 2743 0 0 0 0.09 2747 2745 H2B SLES 1 43.3816 -15.3543 45.5399 HCA2 2743 0 0 0 0.09 2748 2746 C1 SLES 1 43.4861 -13.1419 45.4127 CC32A 2743 2747 2748 2749 -0.01 2749 2747 H1B SLES 1 43.5489 -12.2575 46.0984 HCA2 2746 0 0 0 0.09 2750 2748 H1A SLES 1 44.3778 -13.1363 44.7388 HCA2 2746 0 0 0 0.09 2751 2749 O1 SLES 1 42.4391 -12.8218 44.5551 OC30A 2746 2750 0 0 -0.34 2752 2750 C2 SLES 1 41.3445 -13.7168 44.4795 CC32A 2749 2751 2752 2753 -0.01 2753 2751 H2A SLES 1 40.8626 -13.8354 45.492 HCA2 2750 0 0 0 0.09 2754 2752 H2B SLES 1 41.6682 -14.7228 44.1234 HCA2 2750 0 0 0 0.09 2755 2753 C1 SLES 1 40.6443 -12.65 43.5617 CC32A 2750 2754 2755 2756 -0.01 2756 2754 H1B SLES 1 39.8265 -12.5526 44.2878 HCA2 2753 0 0 0 0.09 2757 2755 H1A SLES 1 40.7655 -13.5035 42.8006 HCA2 2753 0 0 0 0.09 2758 2756 O1 SLES 1 39.934 -12.1001 42.4823 OC30A 2753 2757 0 0 -0.34 2759 2757 C1 SLES 1 38.6427 -12.6182 42.196 CTL2 2756 2758 2759 2760 -0.18 2760 2758 H11 SLES 1 37.9502 -12.7337 43.076 HAL2 2757 0 0 0 0.09 2761 2759 H12 SLES 1 38.7247 -13.6228 41.7094 HAL2 2757 0 0 0 0.09 2762 2760 C2 SLES 1 38.1561 -11.5403 41.2284 CTL2 2757 2761 2762 2763 -0.18 2763 2761 H21 SLES 1 38.0111 -10.5431 41.7093 HAL2 2760 0 0 0 0.09 2764 2762 H22 SLES 1 38.8186 -11.4203 40.3367 HAL2 2760 0 0 0 0.09 2765 2763 C3 SLES 1 36.8485 -12.0603 40.7857 CTL2 2760 2764 2765 2766 -0.18 2766 2764 H31 SLES 1 36.2428 -12.1566 41.7276 HAL2 2763 0 0 0 0.09 2767 2765 H32 SLES 1 37.0762 -13.0598 40.322 HAL2 2763 0 0 0 0.09 2768 2766 C4 SLES 1 36.0085 -11.3117 39.8023 CTL2 2763 2767 2768 2769 -0.18 2769 2767 H41 SLES 1 35.7324 -10.3 40.1897 HAL2 2766 0 0 0 0.09 2770 2768 H42 SLES 1 36.5415 -11.1758 38.8321 HAL2 2766 0 0 0 0.09 2771 2769 C5 SLES 1 34.8313 -12.2938 39.7343 CTL2 2766 2770 2771 2772 -0.18 2772 2770 H51 SLES 1 34.385 -12.4443 40.7533 HAL2 2769 0 0 0 0.09 2773 2771 H52 SLES 1 35.1841 -13.3084 39.4111 HAL2 2769 0 0 0 0.09 2774 2772 C6 SLES 1 33.7183 -11.942 38.8451 CTL2 2769 2773 2774 2775 -0.18 2775 2773 H61 SLES 1 32.7941 -11.9398 39.4844 HAL2 2772 0 0 0 0.09 2776 2774 H62 SLES 1 33.5954 -12.8062 38.1384 HAL2 2772 0 0 0 0.09 2777 2775 C7 SLES 1 33.8404 -10.625 38.0691 CTL2 2772 2776 2777 2778 -0.18 2778 2776 H71 SLES 1 33.8854 -9.71873 38.7182 HAL2 2775 0 0 0 0.09 2779 2777 H72 SLES 1 34.6964 -10.5961 37.3555 HAL2 2775 0 0 0 0.09 2780 2778 C8 SLES 1 32.5516 -10.668 37.3311 CTL2 2775 2779 2780 2781 -0.18 2781 2779 H81 SLES 1 31.7411 -10.7181 38.1113 HAL2 2778 0 0 0 0.09 2782 2780 H82 SLES 1 32.5699 -11.6149 36.72 HAL2 2778 0 0 0 0.09 2783 2781 C9 SLES 1 32.1783 -9.56789 36.3999 CTL2 2778 2782 2783 2784 -0.18 2784 2782 H91 SLES 1 32.119 -8.60209 36.9498 HAL2 2781 0 0 0 0.09 2785 2783 H92 SLES 1 32.9315 -9.482 35.5848 HAL2 2781 0 0 0 0.09 2786 2784 C10 SLES 1 30.82 -10.0705 35.9151 CTL2 2781 2785 2786 2787 -0.18 2787 2785 H10 SLES 1 30.1289 -10.2075 36.7902 HAL2 2784 0 0 0 0.09 2788 2786 H10 SLES 1 30.9356 -11.0804 35.4353 HAL2 2784 0 0 0 0.09 2789 2787 C11 SLES 1 30.1302 -9.18184 34.9317 CTL2 2784 2788 2789 2790 -0.18 2790 2788 H11 SLES 1 29.9977 -8.18772 35.4187 HAL2 2787 0 0 0 0.09 2791 2789 H11 SLES 1 30.8096 -9.06548 34.0557 HAL2 2787 0 0 0 0.09 2792 2790 C12 SLES 1 28.7895 -9.8078 34.5373 CTL3 2787 2791 2792 2793 -0.27 2793 2791 H12 SLES 1 27.9578 -9.13495 34.8232 HAL3 2790 0 0 0 0.09 2794 2792 H12 SLES 1 28.7747 -10.0194 33.4504 HAL3 2790 0 0 0 0.09 2795 2793 H12 SLES 1 28.6052 -10.7815 35.0544 HAL3 2790 0 0 0 0.09 2796 2794 NA SLES 1 57.1043 1.64418 33.2983 NA 0 0 0 0 1 2797 2795 S SLES 1 55.4822 -0.607557 34.5118 SL 2796 2797 2798 2799 1.33 2798 2796 OS1 SLES 1 54.5665 0.0495181 33.5636 OSL 2795 2800 0 0 -0.28 2799 2797 OS2 SLES 1 55.6921 0.637759 35.2159 O2L 2795 0 0 0 -0.65 2800 2798 OS3 SLES 1 56.4285 -0.880562 33.4548 O2L 2795 0 0 0 -0.65 2801 2799 OS4 SLES 1 54.7467 -1.67631 35.1272 O2L 2795 0 0 0 -0.65 2802 2800 C2 SLES 1 53.2725 -0.293442 33.2651 CC32A 2796 2801 2802 2803 -0.11 2803 2801 H2A SLES 1 52.6258 -0.239842 34.1805 HCA2 2800 0 0 0 0.09 2804 2802 H2B SLES 1 53.2223 -1.32482 32.8255 HCA2 2800 0 0 0 0.09 2805 2803 C1 SLES 1 52.8824 0.785828 32.2324 CC32A 2800 2804 2805 2806 -0.01 2806 2804 H1B SLES 1 52.968 1.81251 32.6739 HCA2 2803 0 0 0 0.09 2807 2805 H1A SLES 1 53.539 0.728524 31.3297 HCA2 2803 0 0 0 0.09 2808 2806 O1 SLES 1 51.6006 0.763312 31.6935 OC30A 2803 2807 0 0 -0.34 2809 2807 C2 SLES 1 50.7096 -0.242648 32.1396 CC32A 2806 2808 2809 2810 -0.01 2810 2808 H2A SLES 1 50.5531 -0.164001 33.2535 HCA2 2807 0 0 0 0.09 2811 2809 H2B SLES 1 51.1013 -1.26114 31.9098 HCA2 2807 0 0 0 0.09 2812 2810 C1 SLES 1 49.6024 0.478817 31.2883 CC32A 2807 2811 2812 2813 -0.01 2813 2811 H1B SLES 1 49.0111 0.65649 32.1963 HCA2 2810 0 0 0 0.09 2814 2812 H1A SLES 1 49.6643 -0.515444 30.7139 HCA2 2810 0 0 0 0.09 2815 2813 O1 SLES 1 48.5359 0.661847 30.3933 OC30A 2810 2814 0 0 -0.34 2816 2814 C1 SLES 1 47.3327 -0.0556061 30.6287 CTL2 2813 2815 2816 2817 -0.18 2817 2815 H11 SLES 1 46.9406 -0.0306716 31.6836 HAL2 2814 0 0 0 0.09 2818 2816 H12 SLES 1 47.4603 -1.13244 30.3518 HAL2 2814 0 0 0 0.09 2819 2817 C2 SLES 1 46.4116 0.688909 29.6631 CTL2 2814 2818 2819 2820 -0.18 2820 2818 H21 SLES 1 46.2243 1.75006 29.9555 HAL2 2817 0 0 0 0.09 2821 2819 H22 SLES 1 46.7713 0.661981 28.6056 HAL2 2817 0 0 0 0.09 2822 2820 C3 SLES 1 45.1505 -0.0705721 29.7584 CTL2 2817 2821 2822 2823 -0.18 2823 2821 H31 SLES 1 44.8539 -0.00200562 30.8404 HAL2 2820 0 0 0 0.09 2824 2822 H32 SLES 1 45.421 -1.1202 29.4569 HAL2 2820 0 0 0 0.09 2825 2823 C4 SLES 1 43.9515 0.312422 28.9529 CTL2 2820 2824 2825 2826 -0.18 2826 2824 H41 SLES 1 43.6122 1.34952 29.1959 HAL2 2823 0 0 0 0.09 2827 2825 H42 SLES 1 44.1645 0.266707 27.8591 HAL2 2823 0 0 0 0.09 2828 2826 C5 SLES 1 43.0004 -0.785032 29.449 CTL2 2823 2827 2828 2829 -0.18 2829 2827 H51 SLES 1 42.8853 -0.731426 30.5643 HAL2 2826 0 0 0 0.09 2830 2828 H52 SLES 1 43.4303 -1.8004 29.2426 HAL2 2826 0 0 0 0.09 2831 2829 C6 SLES 1 41.6418 -0.792326 28.8945 CTL2 2826 2830 2831 2832 -0.18 2832 2830 H61 SLES 1 40.9436 -0.739757 29.7736 HAL2 2829 0 0 0 0.09 2833 2831 H62 SLES 1 41.4901 -1.81162 28.448 HAL2 2829 0 0 0 0.09 2834 2832 C7 SLES 1 41.3044 0.29928 27.8717 CTL2 2829 2833 2834 2835 -0.18 2835 2833 H71 SLES 1 41.3591 1.33595 28.2803 HAL2 2832 0 0 0 0.09 2836 2834 H72 SLES 1 41.9122 0.250531 26.9385 HAL2 2832 0 0 0 0.09 2837 2835 C8 SLES 1 39.8932 -0.0712677 27.5912 CTL2 2832 2836 2837 2838 -0.18 2838 2836 H81 SLES 1 39.3505 -0.0213796 28.5766 HAL2 2835 0 0 0 0.09 2839 2837 H82 SLES 1 39.916 -1.13052 27.2066 HAL2 2835 0 0 0 0.09 2840 2838 C9 SLES 1 39.085 0.716524 26.6201 CTL2 2835 2839 2840 2841 -0.18 2841 2839 H91 SLES 1 39.0033 1.77424 26.9566 HAL2 2838 0 0 0 0.09 2842 2840 H92 SLES 1 39.5576 0.685989 25.6127 HAL2 2838 0 0 0 0.09 2843 2841 C10 SLES 1 37.7614 -0.0423176 26.6884 CTL2 2838 2842 2843 2844 -0.18 2844 2842 H10 SLES 1 37.3732 -0.0391775 27.7427 HAL2 2841 0 0 0 0.09 2845 2843 H10 SLES 1 37.9235 -1.11881 26.4085 HAL2 2841 0 0 0 0.09 2846 2844 C11 SLES 1 36.6787 0.492708 25.8085 CTL2 2841 2845 2846 2847 -0.18 2847 2845 H11 SLES 1 36.5054 1.55386 26.1035 HAL2 2844 0 0 0 0.09 2848 2846 H11 SLES 1 37.0593 0.468091 24.7612 HAL2 2844 0 0 0 0.09 2849 2847 C12 SLES 1 35.4189 -0.360704 25.9802 CTL3 2844 2848 2849 2850 -0.27 2850 2848 H12 SLES 1 34.5889 0.261463 26.3678 HAL3 2847 0 0 0 0.09 2851 2849 H12 SLES 1 35.1461 -0.832578 25.0162 HAL3 2847 0 0 0 0.09 2852 2850 H12 SLES 1 35.5641 -1.19245 26.7127 HAL3 2847 0 0 0 0.09 2853 2851 NA SLES 1 54.9729 16.0387 32.9446 NA 0 0 0 0 1 2854 2852 S SLES 1 53.6588 13.9016 34.6417 SL 2853 2854 2855 2856 1.33 2855 2853 OS1 SLES 1 52.7015 14.1613 33.5529 OSL 2852 2857 0 0 -0.28 2856 2854 OS2 SLES 1 53.6383 15.2942 35.0301 O2L 2852 0 0 0 -0.65 2857 2855 OS3 SLES 1 54.6878 13.5456 33.6921 O2L 2852 0 0 0 -0.65 2858 2856 OS4 SLES 1 53.0671 12.902 35.4859 O2L 2852 0 0 0 -0.65 2859 2857 C2 SLES 1 51.4926 13.5532 33.3295 CC32A 2853 2858 2859 2860 -0.11 2860 2858 H2A SLES 1 50.8002 13.7142 34.1977 HCA2 2857 0 0 0 0.09 2861 2859 H2B SLES 1 51.6243 12.4534 33.1487 HCA2 2857 0 0 0 0.09 2862 2860 C1 SLES 1 50.993 14.283 32.064 CC32A 2857 2861 2862 2863 -0.01 2863 2861 H1B SLES 1 50.8968 15.3844 32.2482 HCA2 2860 0 0 0 0.09 2864 2862 H1A SLES 1 51.6951 14.123 31.2092 HCA2 2860 0 0 0 0.09 2865 2863 O1 SLES 1 49.7587 13.9277 31.5307 OC30A 2860 2864 0 0 -0.34 2866 2864 C2 SLES 1 49.0123 12.9236 32.1936 CC32A 2863 2865 2866 2867 -0.01 2867 2865 H2A SLES 1 48.7899 13.2344 33.2545 HCA2 2864 0 0 0 0.09 2868 2866 H2B SLES 1 49.5676 11.9568 32.2188 HCA2 2864 0 0 0 0.09 2869 2867 C1 SLES 1 47.8513 13.2367 31.1813 CC32A 2864 2868 2869 2870 -0.01 2870 2868 H1B SLES 1 47.1948 13.5239 32.0132 HCA2 2867 0 0 0 0.09 2871 2869 H1A SLES 1 48.0947 12.1591 30.8621 HCA2 2867 0 0 0 0.09 2872 2870 O1 SLES 1 46.8157 13.0301 30.2557 OC30A 2867 2871 0 0 -0.34 2873 2871 C1 SLES 1 45.7273 12.2026 30.6413 CTL2 2870 2872 2873 2874 -0.18 2874 2872 H11 SLES 1 45.2835 12.41 31.6549 HAL2 2871 0 0 0 0.09 2875 2873 H12 SLES 1 46.0333 11.1262 30.6316 HAL2 2871 0 0 0 0.09 2876 2874 C2 SLES 1 44.7521 12.5413 29.5147 CTL2 2871 2875 2876 2877 -0.18 2877 2875 H21 SLES 1 44.3888 13.5967 29.5426 HAL2 2874 0 0 0 0.09 2878 2876 H22 SLES 1 45.1643 12.3261 28.4988 HAL2 2874 0 0 0 0.09 2879 2877 C3 SLES 1 43.6201 11.6314 29.7736 CTL2 2874 2878 2879 2880 -0.18 2880 2878 H31 SLES 1 43.2625 11.9024 30.8042 HAL2 2877 0 0 0 0.09 2881 2879 H32 SLES 1 44.0642 10.5984 29.7351 HAL2 2877 0 0 0 0.09 2882 2880 C4 SLES 1 42.4184 11.6159 28.8856 CTL2 2877 2881 2882 2883 -0.18 2883 2881 H41 SLES 1 41.9113 12.6121 28.8694 HAL2 2880 0 0 0 0.09 2884 2882 H42 SLES 1 42.6906 11.3505 27.8371 HAL2 2880 0 0 0 0.09 2885 2883 C5 SLES 1 41.6243 10.526 29.6182 CTL2 2880 2884 2885 2886 -0.18 2886 2884 H51 SLES 1 41.4464 10.8199 30.6868 HAL2 2883 0 0 0 0.09 2887 2885 H52 SLES 1 42.2156 9.57392 29.6657 HAL2 2883 0 0 0 0.09 2888 2886 C6 SLES 1 40.3127 10.1693 29.0652 CTL2 2883 2887 2888 2889 -0.18 2889 2887 H61 SLES 1 39.5715 10.3125 29.8977 HAL2 2886 0 0 0 0.09 2890 2888 H62 SLES 1 40.3428 9.06312 28.8736 HAL2 2886 0 0 0 0.09 2891 2889 C7 SLES 1 39.8628 10.9218 27.8071 CTL2 2886 2890 2891 2892 -0.18 2892 2890 H71 SLES 1 39.7362 12.0201 27.9565 HAL2 2889 0 0 0 0.09 2893 2891 H72 SLES 1 40.5169 10.7549 26.9199 HAL2 2889 0 0 0 0.09 2894 2892 C8 SLES 1 38.5415 10.2725 27.6063 CTL2 2889 2893 2894 2895 -0.18 2895 2893 H81 SLES 1 37.9488 10.4631 28.5446 HAL2 2892 0 0 0 0.09 2896 2894 H82 SLES 1 38.7468 9.17068 27.4864 HAL2 2892 0 0 0 0.09 2897 2895 C9 SLES 1 37.6713 10.6695 26.4653 CTL2 2892 2896 2897 2898 -0.18 2898 2896 H91 SLES 1 37.4105 11.7491 26.5382 HAL2 2895 0 0 0 0.09 2899 2897 H92 SLES 1 38.1929 10.4809 25.5002 HAL2 2895 0 0 0 0.09 2900 2898 C10 SLES 1 36.4788 9.74382 26.6971 CTL2 2895 2899 2900 2901 -0.18 2901 2899 H10 SLES 1 36.0424 9.93081 27.7153 HAL2 2898 0 0 0 0.09 2902 2900 H10 SLES 1 36.819 8.67257 26.6848 HAL2 2898 0 0 0 0.09 2903 2901 C11 SLES 1 35.3722 9.87552 25.7019 CTL2 2898 2902 2903 2904 -0.18 2904 2902 H11 SLES 1 35.0226 10.9338 25.7325 HAL2 2901 0 0 0 0.09 2905 2903 H11 SLES 1 35.8042 9.66835 24.6955 HAL2 2901 0 0 0 0.09 2906 2904 C12 SLES 1 34.2521 8.89368 26.0575 CTL3 2901 2905 2906 2907 -0.27 2907 2905 H12 SLES 1 33.3177 9.44651 26.275 HAL3 2904 0 0 0 0.09 2908 2906 H12 SLES 1 34.1042 8.17149 25.231 HAL3 2904 0 0 0 0.09 2909 2907 H12 SLES 1 34.4869 8.29128 26.9693 HAL3 2904 0 0 0 0.09 2910 2908 NA SLES 1 49.2717 29.3684 32.6938 NA 0 0 0 0 1 2911 2909 S SLES 1 48.1106 27.452 34.7318 SL 2910 2911 2912 2913 1.33 2912 2910 OS1 SLES 1 47.2501 27.3088 33.5451 OSL 2909 2914 0 0 -0.28 2913 2911 OS2 SLES 1 47.8423 28.8716 34.7901 O2L 2909 0 0 0 -0.65 2914 2912 OS3 SLES 1 49.2784 27.0803 33.9666 O2L 2909 0 0 0 -0.65 2915 2913 OS4 SLES 1 47.5846 26.5703 35.7357 O2L 2909 0 0 0 -0.65 2916 2914 C2 SLES 1 46.176 26.4724 33.3779 CC32A 2910 2915 2916 2917 -0.11 2917 2915 H2A SLES 1 45.3769 26.6958 34.1333 HCA2 2914 0 0 0 0.09 2918 2916 H2B SLES 1 46.4878 25.3976 33.4626 HCA2 2914 0 0 0 0.09 2919 2917 C1 SLES 1 45.7152 26.8209 31.9462 CC32A 2914 2918 2919 2920 -0.01 2920 2918 H1B SLES 1 45.4377 27.904 31.8671 HCA2 2917 0 0 0 0.09 2921 2919 H1A SLES 1 46.5222 26.603 31.2044 HCA2 2917 0 0 0 0.09 2922 2920 O1 SLES 1 44.6126 26.1576 31.4187 OC30A 2917 2921 0 0 -0.34 2923 2921 C2 SLES 1 43.955 25.2068 32.2362 CC32A 2920 2922 2923 2924 -0.01 2924 2922 H2A SLES 1 43.5746 25.6945 33.179 HCA2 2921 0 0 0 0.09 2925 2923 H2B SLES 1 44.641 24.3752 32.5218 HCA2 2921 0 0 0 0.09 2926 2924 C1 SLES 1 42.8779 25.0969 31.0966 CC32A 2921 2925 2926 2927 -0.01 2927 2925 H1B SLES 1 42.0993 25.44 31.7906 HCA2 2924 0 0 0 0.09 2928 2926 H1A SLES 1 43.3113 24.0328 31.0501 HCA2 2924 0 0 0 0.09 2929 2927 O1 SLES 1 41.9914 24.5264 30.1689 OC30A 2924 2928 0 0 -0.34 2930 2928 C1 SLES 1 41.0018 23.629 30.6518 CTL2 2927 2929 2930 2931 -0.18 2931 2929 H11 SLES 1 40.4243 23.9699 31.556 HAL2 2928 0 0 0 0.09 2932 2930 H12 SLES 1 41.4628 22.6424 30.9101 HAL2 2928 0 0 0 0.09 2933 2931 C2 SLES 1 40.1161 23.5506 29.409 CTL2 2928 2932 2933 2934 -0.18 2934 2932 H21 SLES 1 39.5999 24.5111 29.169 HAL2 2931 0 0 0 0.09 2935 2933 H22 SLES 1 40.664 23.1964 28.502 HAL2 2931 0 0 0 0.09 2936 2934 C3 SLES 1 39.1097 22.5395 29.7845 CTL2 2931 2935 2936 2937 -0.18 2937 2935 H31 SLES 1 38.6056 22.9597 30.6971 HAL2 2934 0 0 0 0.09 2938 2936 H32 SLES 1 39.703 21.6119 30.0152 HAL2 2934 0 0 0 0.09 2939 2937 C4 SLES 1 38.0276 22.133 28.8375 CTL2 2934 2938 2939 2940 -0.18 2940 2938 H41 SLES 1 37.3836 23.0029 28.5575 HAL2 2937 0 0 0 0.09 2941 2939 H42 SLES 1 38.4488 21.7 27.8999 HAL2 2937 0 0 0 0.09 2942 2940 C5 SLES 1 37.3282 21.1065 29.7387 CTL2 2937 2941 2942 2943 -0.18 2943 2941 H51 SLES 1 36.9932 21.5871 30.6963 HAL2 2940 0 0 0 0.09 2944 2942 H52 SLES 1 38.045 20.2999 30.0453 HAL2 2940 0 0 0 0.09 2945 2943 C6 SLES 1 36.152 20.4246 29.1867 CTL2 2940 2944 2945 2946 -0.18 2946 2944 H61 SLES 1 35.3114 20.615 29.9078 HAL2 2943 0 0 0 0.09 2947 2945 H62 SLES 1 36.3659 19.3242 29.2549 HAL2 2943 0 0 0 0.09 2948 2946 C7 SLES 1 35.7357 20.8048 27.7606 CTL2 2943 2947 2948 2949 -0.18 2949 2947 H71 SLES 1 35.4327 21.8724 27.6462 HAL2 2946 0 0 0 0.09 2950 2948 H72 SLES 1 36.5002 20.5654 26.9854 HAL2 2946 0 0 0 0.09 2951 2949 C8 SLES 1 34.5549 19.9147 27.6165 CTL2 2946 2950 2951 2952 -0.18 2952 2950 H81 SLES 1 33.8416 20.1983 28.4404 HAL2 2949 0 0 0 0.09 2953 2951 H82 SLES 1 34.9326 18.8633 27.7663 HAL2 2949 0 0 0 0.09 2954 2952 C9 SLES 1 33.7653 19.9072 26.3542 CTL2 2949 2953 2954 2955 -0.18 2955 2953 H91 SLES 1 33.3414 20.9177 26.1598 HAL2 2952 0 0 0 0.09 2956 2954 H92 SLES 1 34.4112 19.6078 25.4985 HAL2 2952 0 0 0 0.09 2957 2955 C10 SLES 1 32.7047 18.8648 26.7025 CTL2 2952 2956 2957 2958 -0.18 2958 2956 H10 SLES 1 32.1369 19.1883 27.6164 HAL2 2955 0 0 0 0.09 2959 2957 H10 SLES 1 33.1988 17.8885 26.9596 HAL2 2955 0 0 0 0.09 2960 2958 C11 SLES 1 31.706 18.5932 25.6249 CTL2 2955 2959 2960 2961 -0.18 2961 2959 H11 SLES 1 31.2026 19.5593 25.3877 HAL2 2958 0 0 0 0.09 2962 2960 H11 SLES 1 32.2711 18.2521 24.7267 HAL2 2958 0 0 0 0.09 2963 2961 C12 SLES 1 30.7113 17.5354 26.1115 CTL3 2958 2962 2963 2964 -0.27 2964 2962 H12 SLES 1 29.6874 17.9565 26.128 HAL3 2961 0 0 0 0.09 2965 2963 H12 SLES 1 30.7629 16.6394 25.4627 HAL3 2961 0 0 0 0.09 2966 2964 H12 SLES 1 30.9317 17.1895 27.1513 HAL3 2961 0 0 0 0.09 2967 2965 NA SLES 1 40.3981 40.7904 32.563 NA 0 0 0 0 1 2968 2966 S SLES 1 39.2132 39.0956 34.7761 SL 2967 2968 2969 2970 1.33 2969 2967 OS1 SLES 1 38.5841 38.5979 33.5409 OSL 2966 2971 0 0 -0.28 2970 2968 OS2 SLES 1 38.7373 40.4353 34.5124 O2L 2966 0 0 0 -0.65 2971 2969 OS3 SLES 1 40.5298 38.8006 34.2597 O2L 2966 0 0 0 -0.65 2972 2970 OS4 SLES 1 38.6654 38.3291 35.8597 O2L 2966 0 0 0 -0.65 2973 2971 C2 SLES 1 37.6826 37.573 33.4071 CC32A 2967 2972 2973 2974 -0.11 2974 2972 H2A SLES 1 36.7488 37.786 33.9917 HCA2 2971 0 0 0 0.09 2975 2973 H2B SLES 1 38.1282 36.6003 33.746 HCA2 2971 0 0 0 0.09 2976 2974 C1 SLES 1 37.4123 37.577 31.8871 CC32A 2971 2975 2976 2977 -0.01 2977 2975 H1B SLES 1 36.9981 38.5647 31.5564 HCA2 2974 0 0 0 0.09 2978 2976 H1A SLES 1 38.3509 37.3731 31.3155 HCA2 2974 0 0 0 0.09 2979 2977 O1 SLES 1 36.5159 36.6508 31.3649 OC30A 2974 2978 0 0 -0.34 2980 2978 C2 SLES 1 35.8795 35.7615 32.2643 CC32A 2977 2979 2980 2981 -0.01 2981 2979 H2A SLES 1 35.2864 36.3361 33.0322 HCA2 2978 0 0 0 0.09 2982 2980 H2B SLES 1 36.6233 35.1246 32.7979 HCA2 2978 0 0 0 0.09 2983 2981 C1 SLES 1 35.0266 35.2673 31.0399 CC32A 2978 2982 2983 2984 -0.01 2984 2982 H1B SLES 1 34.1054 35.589 31.5436 HCA2 2981 0 0 0 0.09 2985 2983 H1A SLES 1 35.6105 34.3026 31.265 HCA2 2981 0 0 0 0.09 2986 2984 O1 SLES 1 34.3921 34.3972 30.1387 OC30A 2981 2985 0 0 -0.34 2987 2985 C1 SLES 1 33.4775 33.443 30.6593 CTL2 2984 2986 2987 2988 -0.18 2988 2986 H11 SLES 1 32.7194 33.8345 31.3936 HAL2 2985 0 0 0 0.09 2989 2987 H12 SLES 1 34.0283 32.6124 31.1684 HAL2 2985 0 0 0 0.09 2990 2988 C2 SLES 1 32.8235 32.9939 29.3534 CTL2 2985 2989 2990 2991 -0.18 2991 2989 H21 SLES 1 32.2197 33.7931 28.86 HAL2 2988 0 0 0 0.09 2992 2990 H22 SLES 1 33.5551 32.584 28.6151 HAL2 2988 0 0 0 0.09 2993 2991 C3 SLES 1 31.9261 31.9076 29.7904 CTL2 2988 2992 2993 2994 -0.18 2994 2992 H31 SLES 1 31.2268 32.3901 30.5264 HAL2 2991 0 0 0 0.09 2995 2993 H32 SLES 1 32.6021 31.152 30.278 HAL2 2991 0 0 0 0.09 2996 2994 C4 SLES 1 31.0801 31.1593 28.8119 CTL2 2991 2995 2996 2997 -0.18 2997 2995 H41 SLES 1 30.371 31.8416 28.2815 HAL2 2994 0 0 0 0.09 2998 2996 H42 SLES 1 31.7043 30.6458 28.0435 HAL2 2994 0 0 0 0.09 2999 2997 C5 SLES 1 30.4003 30.2044 29.8024 CTL2 2994 2998 2999 3000 -0.18 3000 2998 H51 SLES 1 29.8503 30.7824 30.592 HAL2 2997 0 0 0 0.09 3001 2999 H52 SLES 1 31.1672 29.6007 30.3555 HAL2 2997 0 0 0 0.09 3002 3000 C6 SLES 1 29.4387 29.2431 29.2507 CTL2 2997 3001 3002 3003 -0.18 3003 3001 H61 SLES 1 28.4747 29.411 29.8033 HAL2 3000 0 0 0 0.09 3004 3002 H62 SLES 1 29.7952 28.2259 29.566 HAL2 3000 0 0 0 0.09 3005 3003 C7 SLES 1 29.2065 29.2867 27.7355 CTL2 3000 3004 3005 3006 -0.18 3006 3004 H71 SLES 1 28.7751 30.2485 27.3704 HAL2 3003 0 0 0 0.09 3007 3005 H72 SLES 1 30.1119 29.0485 27.1303 HAL2 3003 0 0 0 0.09 3008 3006 C8 SLES 1 28.2048 28.1953 27.621 CTL2 3003 3007 3008 3009 -0.18 3009 3007 H81 SLES 1 27.3351 28.4937 28.2713 HAL2 3006 0 0 0 0.09 3010 3008 H82 SLES 1 28.701 27.2682 28.0269 HAL2 3006 0 0 0 0.09 3011 3009 C9 SLES 1 27.6375 27.8279 26.2944 CTL2 3006 3010 3011 3012 -0.18 3012 3010 H91 SLES 1 27.1092 28.6996 25.8473 HAL2 3009 0 0 0 0.09 3013 3011 H92 SLES 1 28.4488 27.4971 25.6077 HAL2 3009 0 0 0 0.09 3014 3012 C10 SLES 1 26.6961 26.6973 26.7042 CTL2 3009 3013 3014 3015 -0.18 3015 3013 H10 SLES 1 25.9483 27.0752 27.4527 HAL2 3012 0 0 0 0.09 3016 3014 H10 SLES 1 27.2779 25.882 27.2144 HAL2 3012 0 0 0 0.09 3017 3015 C11 SLES 1 25.933 26.0707 25.5827 CTL2 3012 3016 3017 3018 -0.18 3018 3016 H11 SLES 1 25.3404 26.8781 25.0928 HAL2 3015 0 0 0 0.09 3019 3017 H11 SLES 1 26.6782 25.678 24.8527 HAL2 3015 0 0 0 0.09 3020 3018 C12 SLES 1 25.0361 24.961 26.1385 CTL3 3015 3019 3020 3021 -0.27 3021 3019 H12 SLES 1 23.9729 25.1957 25.9368 HAL3 3018 0 0 0 0.09 3022 3020 H12 SLES 1 25.3196 23.9865 25.6955 HAL3 3018 0 0 0 0.09 3023 3021 H12 SLES 1 25.1341 24.8485 27.2463 HAL3 3018 0 0 0 0.09 3024 3022 NA SLES 1 28.9318 49.5872 32.5611 NA 0 0 0 0 1 3025 3023 S SLES 1 27.5829 48.0161 34.7716 SL 3024 3025 3026 3027 1.33 3026 3024 OS1 SLES 1 27.2934 47.2612 33.5404 OSL 3023 3028 0 0 -0.28 3027 3025 OS2 SLES 1 26.9818 49.208 34.2159 O2L 3023 0 0 0 -0.65 3028 3026 OS3 SLES 1 29.0049 47.8875 34.5514 O2L 3023 0 0 0 -0.65 3029 3027 OS4 SLES 1 26.9446 47.3141 35.8495 O2L 3023 0 0 0 -0.65 3030 3028 C2 SLES 1 26.5944 46.0878 33.415 CC32A 3024 3029 3030 3031 -0.11 3031 3029 H2A SLES 1 25.5415 46.2111 33.7825 HCA2 3028 0 0 0 0.09 3032 3030 H2B SLES 1 27.0982 45.2588 33.9793 HCA2 3028 0 0 0 0.09 3033 3031 C1 SLES 1 26.6376 45.8477 31.8905 CC32A 3028 3032 3033 3034 -0.01 3034 3032 H1B SLES 1 26.1604 46.6978 31.3373 HCA2 3031 0 0 0 0.09 3035 3033 H1A SLES 1 27.6913 45.7358 31.535 HCA2 3031 0 0 0 0.09 3036 3034 O1 SLES 1 26.0074 44.7211 31.373 OC30A 3031 3035 0 0 -0.34 3037 3035 C2 SLES 1 25.3381 43.8601 32.2761 CC32A 3034 3036 3037 3038 -0.01 3038 3036 H2A SLES 1 24.5263 44.4189 32.824 HCA2 3035 0 0 0 0.09 3039 3037 H2B SLES 1 26.0432 43.4356 33.0285 HCA2 3035 0 0 0 0.09 3040 3038 C1 SLES 1 24.829 43.0716 31.0152 CC32A 3035 3039 3040 3041 -0.01 3041 3039 H1B SLES 1 23.7889 43.2926 31.2889 HCA2 3038 0 0 0 0.09 3042 3040 H1A SLES 1 25.4885 42.2593 31.4923 HCA2 3038 0 0 0 0.09 3043 3041 O1 SLES 1 24.5208 41.9955 30.1672 OC30A 3038 3042 0 0 -0.34 3044 3042 C1 SLES 1 23.6674 40.9741 30.6634 CTL2 3041 3043 3044 3045 -0.18 3045 3043 H11 SLES 1 22.7288 41.3213 31.1789 HAL2 3042 0 0 0 0.09 3046 3044 H12 SLES 1 24.2183 40.3239 31.3889 HAL2 3042 0 0 0 0.09 3047 3045 C2 SLES 1 23.3609 40.2532 29.3514 CTL2 3042 3046 3047 3048 -0.18 3048 3046 H21 SLES 1 22.7599 40.8654 28.6369 HAL2 3045 0 0 0 0.09 3049 3047 H22 SLES 1 24.2773 39.8828 28.8304 HAL2 3045 0 0 0 0.09 3050 3048 C3 SLES 1 22.56 39.0948 29.7908 CTL2 3045 3049 3050 3051 -0.18 3051 3049 H31 SLES 1 21.665 39.5412 30.3037 HAL2 3048 0 0 0 0.09 3052 3050 H32 SLES 1 23.2258 38.5367 30.5056 HAL2 3048 0 0 0 0.09 3053 3051 C4 SLES 1 22.0448 38.0913 28.8107 CTL2 3048 3052 3053 3054 -0.18 3054 3052 H41 SLES 1 21.3661 38.5665 28.0602 HAL2 3051 0 0 0 0.09 3055 3053 H42 SLES 1 22.8781 37.5974 28.2579 HAL2 3051 0 0 0 0.09 3056 3054 C5 SLES 1 21.3246 37.1706 29.805 CTL2 3051 3055 3056 3057 -0.18 3057 3055 H51 SLES 1 20.5496 37.743 30.381 HAL2 3054 0 0 0 0.09 3058 3056 H52 SLES 1 22.0434 36.785 30.5751 HAL2 3054 0 0 0 0.09 3059 3057 C6 SLES 1 20.6422 35.9947 29.2528 CTL2 3054 3058 3059 3060 -0.18 3060 3058 H61 SLES 1 19.5729 36.0645 29.5912 HAL2 3057 0 0 0 0.09 3061 3059 H62 SLES 1 21.0708 35.1037 29.7856 HAL2 3057 0 0 0 0.09 3062 3060 C7 SLES 1 20.7156 35.8002 27.7335 CTL2 3057 3061 3062 3063 -0.18 3063 3061 H71 SLES 1 20.2325 36.6178 27.1479 HAL2 3060 0 0 0 0.09 3064 3062 H72 SLES 1 21.7488 35.6449 27.345 HAL2 3060 0 0 0 0.09 3065 3063 C8 SLES 1 19.9252 34.5473 27.6197 CTL2 3060 3064 3065 3066 -0.18 3066 3064 H81 SLES 1 18.9089 34.7735 28.0487 HAL2 3063 0 0 0 0.09 3067 3065 H82 SLES 1 20.458 33.7802 28.2508 HAL2 3063 0 0 0 0.09 3068 3066 C9 SLES 1 19.6952 33.9184 26.2898 CTL2 3063 3067 3068 3069 -0.18 3069 3067 H91 SLES 1 19.1477 34.6205 25.622 HAL2 3066 0 0 0 0.09 3070 3068 H92 SLES 1 20.667 33.6458 25.8203 HAL2 3066 0 0 0 0.09 3071 3069 C10 SLES 1 18.8635 32.7056 26.7021 CTL2 3066 3070 3071 3072 -0.18 3072 3070 H10 SLES 1 17.9341 33.0433 27.2354 HAL2 3069 0 0 0 0.09 3073 3071 H10 SLES 1 19.4421 32.076 27.4317 HAL2 3069 0 0 0 0.09 3074 3072 C11 SLES 1 18.4399 31.8167 25.5783 CTL2 3069 3073 3074 3075 -0.18 3075 3073 H11 SLES 1 17.848 32.4394 24.8677 HAL2 3072 0 0 0 0.09 3076 3074 H11 SLES 1 19.3653 31.4666 25.0649 HAL2 3072 0 0 0 0.09 3077 3075 C12 SLES 1 17.6189 30.651 26.1368 CTL3 3072 3076 3077 3078 -0.27 3078 3076 H12 SLES 1 16.5955 30.6709 25.7145 HAL3 3075 0 0 0 0.09 3079 3077 H12 SLES 1 18.1231 29.6906 25.9135 HAL3 3075 0 0 0 0.09 3080 3078 H12 SLES 1 17.5074 30.702 27.2479 HAL3 3075 0 0 0 0.09 3081 3079 NA SLES 1 15.6021 55.1998 32.6883 NA 0 0 0 0 1 3082 3080 S SLES 1 14.0324 53.5908 34.7185 SL 3081 3082 3083 3084 1.33 3083 3081 OS1 SLES 1 14.1459 52.7095 33.5438 OSL 3080 3085 0 0 -0.28 3084 3082 OS2 SLES 1 13.4044 54.6203 33.9208 O2L 3080 0 0 0 -0.65 3085 3083 OS3 SLES 1 15.4702 53.6876 34.8218 O2L 3080 0 0 0 -0.65 3086 3084 OS4 SLES 1 13.2763 52.8726 35.7056 O2L 3080 0 0 0 -0.65 3087 3085 C2 SLES 1 13.6752 51.4292 33.4011 CC32A 3081 3086 3087 3088 -0.11 3088 3086 H2A SLES 1 12.5599 51.4001 33.5201 HCA2 3085 0 0 0 0.09 3089 3087 H2B SLES 1 14.154 50.7406 34.1469 HCA2 3085 0 0 0 0.09 3090 3088 C1 SLES 1 14.0996 51.0883 31.9564 CC32A 3085 3089 3090 3091 -0.01 3091 3089 H1B SLES 1 13.6408 51.8029 31.2248 HCA2 3088 0 0 0 0.09 3092 3090 H1A SLES 1 15.2112 51.1296 31.848 HCA2 3088 0 0 0 0.09 3093 3091 O1 SLES 1 13.7776 49.8367 31.4426 OC30A 3088 3092 0 0 -0.34 3094 3092 C2 SLES 1 13.0549 48.9441 32.2707 CC32A 3091 3093 3094 3095 -0.01 3095 3093 H2A SLES 1 12.0662 49.397 32.5687 HCA2 3092 0 0 0 0.09 3096 3094 H2B SLES 1 13.6248 48.7009 33.1979 HCA2 3092 0 0 0 0.09 3097 3095 C1 SLES 1 12.9688 47.9906 31.024 CC32A 3092 3096 3097 3098 -0.01 3098 3096 H1B SLES 1 11.8727 48.0528 31.0441 HCA2 3095 0 0 0 0.09 3099 3097 H1A SLES 1 13.6148 47.3382 31.7165 HCA2 3095 0 0 0 0.09 3100 3098 O1 SLES 1 13.0245 46.8186 30.2524 OC30A 3095 3099 0 0 -0.34 3101 3099 C1 SLES 1 12.241 45.7073 30.6638 CTL2 3098 3100 3101 3102 -0.18 3102 3100 H11 SLES 1 11.1689 45.9285 30.9264 HAL2 3099 0 0 0 0.09 3103 3101 H12 SLES 1 12.7021 45.2144 31.5566 HAL2 3099 0 0 0 0.09 3104 3102 C2 SLES 1 12.3516 44.8506 29.4034 CTL2 3099 3103 3104 3105 -0.18 3105 3103 H21 SLES 1 11.8455 45.2988 28.5147 HAL2 3102 0 0 0 0.09 3106 3104 H22 SLES 1 13.407 44.6026 29.1332 HAL2 3102 0 0 0 0.09 3107 3105 C3 SLES 1 11.6519 43.6094 29.7857 CTL2 3102 3106 3107 3108 -0.18 3108 3106 H31 SLES 1 10.6077 43.9352 30.0442 HAL2 3105 0 0 0 0.09 3109 3107 H32 SLES 1 12.2123 43.2255 30.6825 HAL2 3105 0 0 0 0.09 3110 3108 C4 SLES 1 11.5277 42.4642 28.8338 CTL2 3105 3109 3110 3111 -0.18 3111 3109 H41 SLES 1 10.9753 42.7619 27.9086 HAL2 3108 0 0 0 0.09 3112 3110 H42 SLES 1 12.5286 42.0783 28.5286 HAL2 3108 0 0 0 0.09 3113 3111 C5 SLES 1 10.7441 41.511 29.7462 CTL2 3108 3112 3113 3114 -0.18 3114 3112 H51 SLES 1 9.78241 41.9855 30.0779 HAL2 3111 0 0 0 0.09 3115 3113 H52 SLES 1 11.3174 41.3096 30.6891 HAL2 3111 0 0 0 0.09 3116 3114 C6 SLES 1 10.387 40.1996 29.193 CTL2 3111 3115 3116 3117 -0.18 3117 3115 H61 SLES 1 9.27042 40.1131 29.286 HAL2 3114 0 0 0 0.09 3118 3116 H62 SLES 1 10.8097 39.4351 29.8988 HAL2 3114 0 0 0 0.09 3119 3117 C7 SLES 1 10.8325 39.9091 27.7547 CTL2 3114 3118 3119 3120 -0.18 3120 3118 H71 SLES 1 10.3802 40.5884 26.994 HAL2 3117 0 0 0 0.09 3121 3119 H72 SLES 1 11.9384 39.9019 27.6146 HAL2 3117 0 0 0 0.09 3122 3120 C8 SLES 1 10.283 38.536 27.6125 CTL2 3117 3121 3122 3123 -0.18 3123 3121 H81 SLES 1 9.17371 38.6188 27.7877 HAL2 3120 0 0 0 0.09 3124 3122 H82 SLES 1 10.7653 37.9182 28.4225 HAL2 3120 0 0 0 0.09 3125 3123 C9 SLES 1 10.4576 37.7814 26.3409 CTL2 3120 3124 3125 3126 -0.18 3126 3124 H91 SLES 1 9.97908 38.3303 25.4992 HAL2 3123 0 0 0 0.09 3127 3125 H92 SLES 1 11.5402 37.6425 26.1219 HAL2 3123 0 0 0 0.09 3128 3126 C10 SLES 1 9.74249 36.4795 26.6963 CTL2 3123 3127 3128 3129 -0.18 3129 3127 H10 SLES 1 8.67656 36.6942 26.9791 HAL2 3126 0 0 0 0.09 3130 3128 H10 SLES 1 10.2262 36.0117 27.5967 HAL2 3126 0 0 0 0.09 3131 3129 C11 SLES 1 9.72227 35.4518 25.612 CTL2 3126 3130 3131 3132 -0.18 3132 3130 H11 SLES 1 9.22242 35.9119 24.7279 HAL2 3129 0 0 0 0.09 3133 3131 H11 SLES 1 10.7816 35.2257 25.3489 HAL2 3129 0 0 0 0.09 3134 3132 C12 SLES 1 8.97717 34.2087 26.1065 CTL3 3129 3133 3134 3135 -0.27 3135 3133 H12 SLES 1 8.08554 34.0249 25.4761 HAL3 3132 0 0 0 0.09 3136 3134 H12 SLES 1 9.65525 33.3332 26.1019 HAL3 3132 0 0 0 0.09 3137 3135 H12 SLES 1 8.60915 34.3218 27.1559 HAL3 3132 0 0 0 0.09 3138 3136 NA SLES 1 1.2519 57.2544 32.9359 NA 0 0 0 0 1 3139 3137 S SLES 1 -0.48998 55.4372 34.6204 SL 3138 3139 3140 3141 1.33 3140 3138 OS1 SLES 1 0.0356554 54.5718 33.5508 OSL 3137 3142 0 0 -0.28 3141 3139 OS2 SLES 1 -1.06018 56.3418 33.6472 O2L 3137 0 0 0 -0.65 3142 3140 OS3 SLES 1 0.848698 55.7667 35.0524 O2L 3137 0 0 0 -0.65 3143 3141 OS4 SLES 1 -1.34 54.618 35.438 O2L 3137 0 0 0 -0.65 3144 3142 C2 SLES 1 -0.183811 53.2305 33.3664 CC32A 3138 3143 3144 3145 -0.11 3145 3143 H2A SLES 1 -1.27696 53.0227 33.2223 HCA2 3142 0 0 0 0.09 3146 3144 H2B SLES 1 0.203164 52.6376 34.2372 HCA2 3142 0 0 0 0.09 3147 3145 C1 SLES 1 0.621073 52.9455 32.0802 CC32A 3142 3146 3147 3148 -0.01 3148 3146 H1B SLES 1 0.245908 53.5675 31.2266 HCA2 3145 0 0 0 0.09 3149 3147 H1A SLES 1 1.7063 53.1649 32.2331 HCA2 3145 0 0 0 0.09 3150 3148 O1 SLES 1 0.6284 51.6522 31.5688 OC30A 3145 3149 0 0 -0.34 3151 3149 C2 SLES 1 -0.124691 50.6644 32.2485 CC32A 3148 3150 3151 3152 -0.01 3152 3150 H2A SLES 1 -1.21367 50.9548 32.2837 HCA2 3149 0 0 0 0.09 3153 3151 H2B SLES 1 0.23748 50.5278 33.2943 HCA2 3149 0 0 0 0.09 3154 3152 C1 SLES 1 0.238069 49.6946 31.0659 CC32A 3149 3153 3154 3155 -0.01 3155 3153 H1B SLES 1 -0.827066 49.5788 30.8256 HCA2 3152 0 0 0 0.09 3156 3154 H1A SLES 1 0.792486 49.1638 31.9222 HCA2 3152 0 0 0 0.09 3157 3155 O1 SLES 1 0.656792 48.5378 30.3887 OC30A 3152 3156 0 0 -0.34 3158 3156 C1 SLES 1 -0.0211082 47.3195 30.6605 CTL2 3155 3157 3158 3159 -0.18 3159 3157 H11 SLES 1 -1.1458 47.3673 30.6534 HAL2 3156 0 0 0 0.09 3160 3158 H12 SLES 1 0.28348 46.9184 31.66 HAL2 3156 0 0 0 0.09 3161 3159 C2 SLES 1 0.518503 46.4768 29.5057 CTL2 3156 3160 3161 3162 -0.18 3162 3160 H21 SLES 1 0.176663 46.8264 28.5019 HAL2 3159 0 0 0 0.09 3163 3161 H22 SLES 1 1.63312 46.3997 29.5028 HAL2 3159 0 0 0 0.09 3164 3162 C3 SLES 1 -0.0521241 45.1435 29.7754 CTL2 3159 3163 3164 3165 -0.18 3165 3163 H31 SLES 1 -1.16526 45.299 29.7657 HAL2 3162 0 0 0 0.09 3166 3164 H32 SLES 1 0.329941 44.8661 30.7966 HAL2 3162 0 0 0 0.09 3167 3165 C4 SLES 1 0.233177 43.9819 28.8797 CTL2 3162 3166 3167 3168 -0.18 3168 3166 H41 SLES 1 -0.121143 44.175 27.8372 HAL2 3165 0 0 0 0.09 3169 3167 H42 SLES 1 1.32523 43.7594 28.8371 HAL2 3165 0 0 0 0.09 3170 3168 C5 SLES 1 -0.589096 42.9254 29.63 CTL2 3165 3169 3170 3171 -0.18 3171 3169 H51 SLES 1 -1.66356 43.242 29.7031 HAL2 3168 0 0 0 0.09 3172 3170 H52 SLES 1 -0.233893 42.8309 30.6899 HAL2 3168 0 0 0 0.09 3173 3171 C6 SLES 1 -0.596769 41.567 29.0752 CTL2 3168 3172 3173 3174 -0.18 3174 3172 H61 SLES 1 -1.67606 41.302 28.9085 HAL2 3171 0 0 0 0.09 3175 3173 H62 SLES 1 -0.242321 40.8896 29.8979 HAL2 3171 0 0 0 0.09 3176 3174 C7 SLES 1 0.219079 41.3351 27.7976 CTL2 3171 3175 3176 3177 -0.18 3177 3175 H71 SLES 1 -0.137471 41.923 26.919 HAL2 3174 0 0 0 0.09 3178 3176 H72 SLES 1 1.31388 41.5053 27.9209 HAL2 3174 0 0 0 0.09 3179 3177 C8 SLES 1 -0.0617829 39.8896 27.6 CTL2 3174 3178 3179 3180 -0.18 3180 3178 H81 SLES 1 -1.1799 39.7938 27.5063 HAL2 3177 0 0 0 0.09 3181 3179 H82 SLES 1 0.302254 39.3677 28.5303 HAL2 3177 0 0 0 0.09 3182 3180 C9 SLES 1 0.526095 39.1579 26.4442 CTL2 3177 3181 3182 3183 -0.18 3183 3181 H91 SLES 1 0.183926 39.6119 25.4874 HAL2 3180 0 0 0 0.09 3184 3182 H92 SLES 1 1.63769 39.1934 26.4919 HAL2 3180 0 0 0 0.09 3185 3183 C10 SLES 1 -0.0435056 37.7618 26.6873 CTL2 3180 3184 3185 3186 -0.18 3186 3184 H10 SLES 1 -1.1661 37.8045 26.7015 HAL2 3183 0 0 0 0.09 3187 3185 H10 SLES 1 0.277096 37.3893 27.6982 HAL2 3183 0 0 0 0.09 3188 3186 C11 SLES 1 0.355008 36.7314 25.6813 CTL2 3183 3187 3188 3189 -0.18 3189 3187 H11 SLES 1 0.0162057 37.0938 24.6829 HAL2 3186 0 0 0 0.09 3190 3188 H11 SLES 1 1.46831 36.6765 25.6853 HAL2 3186 0 0 0 0.09 3191 3189 C12 SLES 1 -0.285688 35.3902 26.0495 CTL3 3186 3190 3191 3192 -0.27 3192 3190 H12 SLES 1 -0.961353 35.0569 25.238 HAL3 3189 0 0 0 0.09 3193 3191 H12 SLES 1 0.500563 34.6359 26.2478 HAL3 3189 0 0 0 0.09 3194 3192 H12 SLES 1 -0.906853 35.4548 26.9765 HAL3 3189 0 0 0 0.09 3195 3193 NA SLES 1 -13.2018 55.5862 33.287 NA 0 0 0 0 1 3196 3194 S SLES 1 -14.9719 53.4395 34.4842 SL 3195 3196 3197 3198 1.33 3197 3195 OS1 SLES 1 -14.0775 52.7205 33.5609 OSL 3194 3199 0 0 -0.28 3198 3196 OS2 SLES 1 -15.4371 54.2931 33.4138 O2L 3194 0 0 0 -0.65 3199 3197 OS3 SLES 1 -13.843 53.9496 35.2277 O2L 3194 0 0 0 -0.65 3200 3198 OS4 SLES 1 -15.8455 52.459 35.0648 O2L 3194 0 0 0 -0.65 3201 3199 C2 SLES 1 -14.0276 51.3724 33.3132 CC32A 3195 3200 3201 3202 -0.11 3202 3200 H2A SLES 1 -15.0082 51.0059 32.9094 HCA2 3199 0 0 0 0.09 3203 3201 H2B SLES 1 -13.7645 50.8033 34.244 HCA2 3199 0 0 0 0.09 3204 3202 C1 SLES 1 -12.9088 51.28 32.2534 CC32A 3199 3203 3204 3205 -0.01 3205 3203 H1B SLES 1 -13.1693 51.8788 31.3424 HCA2 3202 0 0 0 0.09 3206 3204 H1A SLES 1 -11.9398 51.6563 32.664 HCA2 3202 0 0 0 0.09 3207 3205 O1 SLES 1 -12.5728 50.0307 31.7431 OC30A 3202 3206 0 0 -0.34 3208 3206 C2 SLES 1 -13.2939 48.9056 32.2111 CC32A 3205 3207 3208 3209 -0.01 3209 3207 H2A SLES 1 -14.3931 49.0224 31.9883 HCA2 3206 0 0 0 0.09 3210 3208 H2B SLES 1 -13.1694 48.7742 33.3114 HCA2 3206 0 0 0 0.09 3211 3209 C1 SLES 1 -12.5124 48.064 31.1379 CC32A 3206 3210 3211 3212 -0.01 3212 3210 H1B SLES 1 -13.4585 47.7975 30.6485 HCA2 3209 0 0 0 0.09 3213 3211 H1A SLES 1 -12.0954 47.5829 32.0955 HCA2 3209 0 0 0 0.09 3214 3212 O1 SLES 1 -11.7652 47.0213 30.5665 OC30A 3209 3213 0 0 -0.34 3215 3213 C1 SLES 1 -12.2815 45.7008 30.6538 CTL2 3212 3214 3215 3216 -0.18 3216 3214 H11 SLES 1 -13.3658 45.5748 30.3784 HAL2 3213 0 0 0 0.09 3217 3215 H12 SLES 1 -12.1586 45.3019 31.6921 HAL2 3213 0 0 0 0.09 3218 3216 C2 SLES 1 -11.3575 45.0107 29.6513 CTL2 3213 3217 3218 3219 -0.18 3219 3217 H21 SLES 1 -11.5068 45.3533 28.5992 HAL2 3216 0 0 0 0.09 3220 3218 H22 SLES 1 -10.2758 45.1067 29.9142 HAL2 3216 0 0 0 0.09 3221 3219 C3 SLES 1 -11.7518 43.5934 29.7607 CTL2 3216 3220 3221 3222 -0.18 3222 3220 H31 SLES 1 -12.8418 43.5756 29.487 HAL2 3219 0 0 0 0.09 3223 3221 H32 SLES 1 -11.5797 43.3273 30.8403 HAL2 3219 0 0 0 0.09 3224 3222 C4 SLES 1 -11.0806 42.5362 28.9453 CTL2 3219 3223 3224 3225 -0.18 3225 3223 H41 SLES 1 -11.2075 42.7245 27.8507 HAL2 3222 0 0 0 0.09 3226 3224 H42 SLES 1 -9.98776 42.4874 29.1624 HAL2 3222 0 0 0 0.09 3227 3225 C5 SLES 1 -11.8736 41.3292 29.4644 CTL2 3222 3226 3227 3228 -0.18 3228 3226 H51 SLES 1 -12.9719 41.472 29.2823 HAL2 3225 0 0 0 0.09 3229 3227 H52 SLES 1 -11.7658 41.2374 30.5773 HAL2 3225 0 0 0 0.09 3230 3228 C6 SLES 1 -11.5312 40.0154 28.9076 CTL2 3225 3229 3230 3231 -0.18 3231 3229 H61 SLES 1 -12.4839 39.5957 28.4845 HAL2 3228 0 0 0 0.09 3232 3230 H62 SLES 1 -11.2743 39.3603 29.7829 HAL2 3228 0 0 0 0.09 3233 3231 C7 SLES 1 -10.4125 39.9768 27.8594 CTL2 3228 3232 3233 3234 -0.18 3234 3232 H71 SLES 1 -10.6438 40.5459 26.9282 HAL2 3231 0 0 0 0.09 3235 3233 H72 SLES 1 -9.41933 40.3074 28.2429 HAL2 3231 0 0 0 0.09 3236 3234 C8 SLES 1 -10.4015 38.517 27.5829 CTL2 3231 3235 3236 3237 -0.18 3237 3235 H81 SLES 1 -11.4359 38.2546 27.2235 HAL2 3234 0 0 0 0.09 3238 3236 H82 SLES 1 -10.1858 38.0115 28.567 HAL2 3234 0 0 0 0.09 3239 3237 C9 SLES 1 -9.44892 37.9438 26.5925 CTL2 3234 3238 3239 3240 -0.18 3240 3238 H91 SLES 1 -9.62644 38.387 25.5872 HAL2 3237 0 0 0 0.09 3241 3239 H92 SLES 1 -8.40022 38.148 26.9051 HAL2 3237 0 0 0 0.09 3242 3240 C10 SLES 1 -9.82591 36.4661 26.6755 CTL2 3237 3241 3242 3243 -0.18 3243 3241 H10 SLES 1 -10.9123 36.3342 26.4215 HAL2 3240 0 0 0 0.09 3244 3242 H10 SLES 1 -9.69491 36.0972 27.7292 HAL2 3240 0 0 0 0.09 3245 3243 C11 SLES 1 -9.04161 35.5614 25.7817 CTL2 3240 3244 3245 3246 -0.18 3246 3244 H11 SLES 1 -9.19135 35.9169 24.7357 HAL2 3243 0 0 0 0.09 3247 3245 H11 SLES 1 -7.96639 35.6789 26.0511 HAL2 3243 0 0 0 0.09 3248 3246 C12 SLES 1 -9.52492 34.1206 25.9698 CTL3 3243 3247 3248 3249 -0.27 3249 3247 H12 SLES 1 -9.92874 33.7282 25.0164 HAL3 3246 0 0 0 0.09 3250 3248 H12 SLES 1 -8.69552 33.4877 26.3413 HAL3 3246 0 0 0 0.09 3251 3249 H12 SLES 1 -10.3479 34.0419 26.7222 HAL3 3246 0 0 0 0.09 3252 3250 NA SLES 1 -26.8144 50.2565 33.7177 NA 0 0 0 0 1 3253 3251 S SLES 1 -28.4116 47.7541 34.3189 SL 3252 3253 3254 3255 1.33 3254 3252 OS1 SLES 1 -27.233 47.2803 33.5734 OSL 3251 3256 0 0 -0.28 3255 3253 OS2 SLES 1 -28.775 48.6412 33.2364 O2L 3251 0 0 0 -0.65 3256 3254 OS3 SLES 1 -27.5695 48.3412 35.3355 O2L 3251 0 0 0 -0.65 3257 3255 OS4 SLES 1 -29.211 46.5978 34.6115 O2L 3251 0 0 0 -0.65 3258 3256 C2 SLES 1 -26.9053 45.9895 33.2452 CC32A 3252 3257 3258 3259 -0.11 3259 3257 H2A SLES 1 -27.7013 45.5284 32.6028 HCA2 3256 0 0 0 0.09 3260 3258 H2B SLES 1 -26.7546 45.3674 34.167 HCA2 3256 0 0 0 0.09 3261 3259 C1 SLES 1 -25.5871 46.1797 32.4643 CC32A 3256 3260 3261 3262 -0.01 3262 3260 H1B SLES 1 -25.7445 46.8292 31.5645 HCA2 3259 0 0 0 0.09 3263 3261 H1A SLES 1 -24.8053 46.648 33.1114 HCA2 3259 0 0 0 0.09 3264 3262 O1 SLES 1 -24.9446 45.057 31.9536 OC30A 3259 3263 0 0 -0.34 3265 3263 C2 SLES 1 -25.5489 43.7935 32.1609 CC32A 3262 3264 3265 3266 -0.01 3266 3264 H2A SLES 1 -26.579 43.77 31.7028 HCA2 3263 0 0 0 0.09 3267 3265 H2B SLES 1 -25.6415 43.5626 33.248 HCA2 3263 0 0 0 0.09 3268 3266 C1 SLES 1 -24.4263 43.1988 31.2351 CC32A 3263 3267 3268 3269 -0.01 3269 3267 H1B SLES 1 -25.1877 42.8504 30.5248 HCA2 3266 0 0 0 0.09 3270 3268 H1A SLES 1 -24.1481 42.683 32.2245 HCA2 3266 0 0 0 0.09 3271 3269 O1 SLES 1 -23.4099 42.3466 30.774 OC30A 3266 3270 0 0 -0.34 3272 3270 C1 SLES 1 -23.7031 40.9628 30.6439 CTL2 3269 3271 3272 3273 -0.18 3273 3271 H11 SLES 1 -24.6667 40.7087 30.1203 HAL2 3270 0 0 0 0.09 3274 3272 H12 SLES 1 -23.7389 40.4755 31.6508 HAL2 3270 0 0 0 0.09 3275 3273 C2 SLES 1 -22.484 40.5304 29.8305 CTL2 3270 3274 3275 3276 -0.18 3276 3274 H21 SLES 1 -22.4611 40.9599 28.8001 HAL2 3273 0 0 0 0.09 3277 3275 H22 SLES 1 -21.5151 40.7559 30.3392 HAL2 3273 0 0 0 0.09 3278 3276 C3 SLES 1 -22.6482 39.0669 29.7426 CTL2 3273 3277 3278 3279 -0.18 3279 3277 H31 SLES 1 -23.6359 38.9182 29.2271 HAL2 3276 0 0 0 0.09 3280 3278 H32 SLES 1 -22.6678 38.7131 30.8104 HAL2 3276 0 0 0 0.09 3281 3279 C4 SLES 1 -21.6504 38.216 29.0261 CTL2 3276 3280 3281 3282 -0.18 3282 3280 H41 SLES 1 -21.571 38.5017 27.9482 HAL2 3279 0 0 0 0.09 3283 3281 H42 SLES 1 -20.6367 38.3059 29.4823 HAL2 3279 0 0 0 0.09 3284 3282 C5 SLES 1 -22.3209 36.8556 29.2607 CTL2 3279 3283 3284 3285 -0.18 3285 3283 H51 SLES 1 -23.3633 36.8536 28.8441 HAL2 3282 0 0 0 0.09 3286 3284 H52 SLES 1 -22.439 36.6599 30.359 HAL2 3282 0 0 0 0.09 3287 3285 C6 SLES 1 -21.6516 35.6756 28.7015 CTL2 3282 3286 3287 3288 -0.18 3288 3286 H61 SLES 1 -22.4077 35.1684 28.0427 HAL2 3285 0 0 0 0.09 3289 3287 H62 SLES 1 -21.4806 34.9742 29.5617 HAL2 3285 0 0 0 0.09 3290 3288 C7 SLES 1 -20.345 35.9174 27.9359 CTL2 3285 3289 3290 3291 -0.18 3291 3289 H71 SLES 1 -20.465 36.5443 27.0209 HAL2 3288 0 0 0 0.09 3292 3290 H72 SLES 1 -19.5266 36.3473 28.5588 HAL2 3288 0 0 0 0.09 3293 3291 C8 SLES 1 -20.0297 34.5142 27.5626 CTL2 3288 3292 3293 3294 -0.18 3294 3292 H81 SLES 1 -20.9045 34.1427 26.9586 HAL2 3291 0 0 0 0.09 3295 3293 H82 SLES 1 -19.9468 33.9418 28.53 HAL2 3291 0 0 0 0.09 3296 3294 C9 SLES 1 -18.8054 34.1997 26.7759 CTL2 3291 3295 3296 3297 -0.18 3297 3295 H91 SLES 1 -18.8366 34.7188 25.7919 HAL2 3294 0 0 0 0.09 3298 3296 H92 SLES 1 -17.8971 34.5213 27.3334 HAL2 3294 0 0 0 0.09 3299 3297 C10 SLES 1 -18.9371 32.6824 26.6619 CTL2 3294 3298 3299 3300 -0.18 3300 3298 H10 SLES 1 -19.9063 32.4199 26.158 HAL2 3297 0 0 0 0.09 3301 3299 H10 SLES 1 -18.9735 32.2241 27.6877 HAL2 3297 0 0 0 0.09 3302 3300 C11 SLES 1 -17.8395 32.0065 25.9063 CTL2 3297 3301 3302 3303 -0.18 3303 3301 H11 SLES 1 -17.8205 32.448 24.8827 HAL2 3300 0 0 0 0.09 3304 3302 H11 SLES 1 -16.8819 32.2515 26.4215 HAL2 3300 0 0 0 0.09 3305 3303 C12 SLES 1 -18.1021 30.4983 25.8729 CTL3 3300 3304 3305 3306 -0.27 3306 3304 H12 SLES 1 -18.2215 30.1569 24.8263 HAL3 3303 0 0 0 0.09 3307 3305 H12 SLES 1 -17.2765 29.9582 26.376 HAL3 3303 0 0 0 0.09 3308 3306 H12 SLES 1 -19.0412 30.2171 26.41 HAL3 3303 0 0 0 0.09 3309 3307 NA SLES 1 -38.6671 41.5632 34.1987 NA 0 0 0 0 1 3310 3308 S SLES 1 -39.8907 38.7931 34.1359 SL 3309 3310 3311 3312 1.33 3311 3309 OS1 SLES 1 -38.5348 38.6199 33.5875 OSL 3308 3313 0 0 -0.28 3312 3310 OS2 SLES 1 -40.2032 39.7808 33.1272 O2L 3308 0 0 0 -0.65 3313 3311 OS3 SLES 1 -39.3564 39.3245 35.3686 O2L 3308 0 0 0 -0.65 3314 3312 OS4 SLES 1 -40.5182 37.5019 34.1089 O2L 3308 0 0 0 -0.65 3315 3313 C2 SLES 1 -37.9367 37.4595 33.1669 CC32A 3309 3314 3315 3316 -0.11 3316 3314 H2A SLES 1 -38.5145 36.9977 32.3232 HCA2 3313 0 0 0 0.09 3317 3315 H2B SLES 1 -37.8473 36.7257 34.0114 HCA2 3313 0 0 0 0.09 3318 3316 C1 SLES 1 -36.5535 37.9604 32.6985 CC32A 3313 3317 3318 3319 -0.01 3319 3317 H1B SLES 1 -36.6581 38.7165 31.8777 HCA2 3316 0 0 0 0.09 3320 3318 H1A SLES 1 -35.9916 38.4264 33.5449 HCA2 3316 0 0 0 0.09 3321 3319 O1 SLES 1 -35.647 37.0387 32.1859 OC30A 3316 3320 0 0 -0.34 3322 3320 C2 SLES 1 -36.0519 35.6846 32.1014 CC32A 3319 3321 3322 3323 -0.01 3323 3321 H2A SLES 1 -36.9646 35.5869 31.4464 HCA2 3320 0 0 0 0.09 3324 3322 H2B SLES 1 -36.2949 35.2712 33.1082 HCA2 3320 0 0 0 0.09 3325 3323 C1 SLES 1 -34.6974 35.4143 31.351 CC32A 3320 3324 3325 3326 -0.01 3326 3324 H1B SLES 1 -35.249 35.0784 30.463 HCA2 3323 0 0 0 0.09 3327 3325 H1A SLES 1 -34.5148 34.7918 32.3005 HCA2 3323 0 0 0 0.09 3328 3326 O1 SLES 1 -33.484 34.8026 30.9968 OC30A 3323 3327 0 0 -0.34 3329 3327 C1 SLES 1 -33.5067 33.43 30.6317 CTL2 3326 3328 3329 3330 -0.18 3330 3328 H11 SLES 1 -34.3037 33.1272 29.8966 HAL2 3327 0 0 0 0.09 3331 3329 H12 SLES 1 -33.6363 32.7874 31.5387 HAL2 3327 0 0 0 0.09 3332 3330 C2 SLES 1 -32.1066 33.314 30.0308 CTL2 3327 3331 3332 3333 -0.18 3333 3331 H21 SLES 1 -31.9754 33.9021 29.0909 HAL2 3330 0 0 0 0.09 3334 3332 H22 SLES 1 -31.297 33.5921 30.7489 HAL2 3330 0 0 0 0.09 3335 3333 C3 SLES 1 -31.9982 31.8755 29.7223 CTL2 3330 3334 3335 3336 -0.18 3336 3334 H31 SLES 1 -32.838 31.6708 29.0039 HAL2 3333 0 0 0 0.09 3337 3335 H32 SLES 1 -32.1459 31.3556 30.7091 HAL2 3333 0 0 0 0.09 3338 3336 C4 SLES 1 -30.7577 31.3033 29.1166 CTL2 3333 3337 3338 3339 -0.18 3339 3337 H41 SLES 1 -30.5385 31.7668 28.1232 HAL2 3336 0 0 0 0.09 3340 3338 H42 SLES 1 -29.8719 31.4639 29.775 HAL2 3336 0 0 0 0.09 3341 3339 C5 SLES 1 -31.2149 29.8407 29.0327 CTL2 3336 3340 3341 3342 -0.18 3342 3340 H51 SLES 1 -32.1505 29.7555 28.4184 HAL2 3339 0 0 0 0.09 3343 3341 H52 SLES 1 -31.4906 29.4563 30.0499 HAL2 3339 0 0 0 0.09 3344 3342 C6 SLES 1 -30.2638 28.8747 28.4709 CTL2 3339 3343 3344 3345 -0.18 3345 3343 H61 SLES 1 -30.7921 28.3763 27.6134 HAL2 3342 0 0 0 0.09 3346 3344 H62 SLES 1 -30.1302 28.0763 29.2494 HAL2 3342 0 0 0 0.09 3347 3345 C7 SLES 1 -28.9035 29.4219 28.0217 CTL2 3342 3346 3347 3348 -0.18 3348 3346 H71 SLES 1 -28.9652 30.1637 27.1907 HAL2 3345 0 0 0 0.09 3349 3347 H72 SLES 1 -28.2952 29.8596 28.847 HAL2 3345 0 0 0 0.09 3350 3348 C8 SLES 1 -28.2902 28.1571 27.5403 CTL2 3345 3349 3350 3351 -0.18 3351 3349 H81 SLES 1 -28.9666 27.7653 26.7297 HAL2 3348 0 0 0 0.09 3352 3350 H82 SLES 1 -28.2831 27.4548 28.4219 HAL2 3348 0 0 0 0.09 3353 3351 C9 SLES 1 -26.9101 28.1527 26.9818 CTL2 3348 3352 3353 3354 -0.18 3354 3352 H91 SLES 1 -26.8549 28.8131 26.0876 HAL2 3351 0 0 0 0.09 3355 3353 H92 SLES 1 -26.1844 28.508 27.7474 HAL2 3351 0 0 0 0.09 3356 3354 C10 SLES 1 -26.7562 26.6704 26.6474 CTL2 3351 3355 3356 3357 -0.18 3357 3355 H10 SLES 1 -27.5607 26.3554 25.9291 HAL2 3354 0 0 0 0.09 3358 3356 H10 SLES 1 -26.8948 26.053 27.5764 HAL2 3354 0 0 0 0.09 3359 3357 C11 SLES 1 -25.4422 26.2899 26.0466 CTL2 3354 3358 3359 3360 -0.18 3360 3358 H11 SLES 1 -25.318 26.8881 25.1139 HAL2 3357 0 0 0 0.09 3361 3359 H11 SLES 1 -24.648 26.5844 26.7711 HAL2 3357 0 0 0 0.09 3362 3360 C12 SLES 1 -25.4311 24.7847 25.7653 CTL3 3357 3361 3362 3363 -0.27 3363 3361 H12 SLES 1 -25.3021 24.6022 24.6807 HAL3 3360 0 0 0 0.09 3364 3362 H12 SLES 1 -24.6275 24.2955 26.3495 HAL3 3360 0 0 0 0.09 3365 3363 H12 SLES 1 -26.388 24.2887 26.0614 HAL3 3360 0 0 0 0.09 3366 3364 NA SLES 1 -47.9271 30.0377 34.6971 NA 0 0 0 0 1 3367 3365 S SLES 1 -48.6369 27.1901 33.9478 SL 3366 3367 3368 3369 1.33 3368 3366 OS1 SLES 1 -47.2118 27.3278 33.6022 OSL 3365 3370 0 0 -0.28 3369 3367 OS2 SLES 1 -48.9809 28.3048 33.0936 O2L 3365 0 0 0 -0.65 3370 3368 OS3 SLES 1 -48.3668 27.534 35.3247 O2L 3365 0 0 0 -0.65 3371 3369 OS4 SLES 1 -49.0238 25.854 33.5915 O2L 3365 0 0 0 -0.65 3372 3370 C2 SLES 1 -46.3734 26.3741 33.0838 CC32A 3366 3371 3372 3373 -0.11 3373 3371 H2A SLES 1 -46.7484 26.0131 32.0898 HCA2 3370 0 0 0 0.09 3374 3372 H2B SLES 1 -46.2696 25.5062 33.7877 HCA2 3370 0 0 0 0.09 3375 3373 C1 SLES 1 -45.0481 27.153 32.9401 CC32A 3370 3374 3375 3376 -0.01 3376 3374 H1B SLES 1 -45.1736 28.0355 32.2606 HCA2 3373 0 0 0 0.09 3377 3375 H1A SLES 1 -44.6896 27.5152 33.9348 HCA2 3373 0 0 0 0.09 3378 3376 O1 SLES 1 -43.9376 26.4935 32.4242 OC30A 3373 3377 0 0 -0.34 3379 3377 C2 SLES 1 -44.0889 25.1401 32.0367 CC32A 3376 3378 3379 3380 -0.01 3380 3378 H2A SLES 1 -44.8781 25.0457 31.2369 HCA2 3377 0 0 0 0.09 3381 3379 H2B SLES 1 -44.3859 24.5022 32.9018 HCA2 3377 0 0 0 0.09 3382 3380 C1 SLES 1 -42.6222 25.2242 31.4776 CC32A 3377 3381 3382 3383 -0.01 3383 3381 H1B SLES 1 -42.9876 24.9979 30.4672 HCA2 3380 0 0 0 0.09 3384 3382 H1A SLES 1 -42.4601 24.4565 32.3182 HCA2 3380 0 0 0 0.09 3385 3383 O1 SLES 1 -41.286 24.8775 31.2199 OC30A 3380 3384 0 0 -0.34 3386 3384 C1 SLES 1 -41.0245 23.6177 30.618 CTL2 3383 3385 3386 3387 -0.18 3387 3385 H11 SLES 1 -41.655 23.3573 29.7225 HAL2 3384 0 0 0 0.09 3388 3386 H12 SLES 1 -41.1583 22.794 31.3637 HAL2 3384 0 0 0 0.09 3389 3387 C2 SLES 1 -39.5592 23.8278 30.2388 CTL2 3384 3388 3389 3390 -0.18 3390 3388 H21 SLES 1 -39.4102 24.6055 29.4517 HAL2 3387 0 0 0 0.09 3391 3389 H22 SLES 1 -38.9099 24.0695 31.1153 HAL2 3387 0 0 0 0.09 3392 3390 C3 SLES 1 -39.1656 22.5116 29.7011 CTL2 3387 3391 3392 3393 -0.18 3393 3391 H31 SLES 1 -39.8571 22.3367 28.8324 HAL2 3390 0 0 0 0.09 3394 3392 H32 SLES 1 -39.3487 21.7883 30.5432 HAL2 3390 0 0 0 0.09 3395 3393 C4 SLES 1 -37.7771 22.2577 29.2106 CTL2 3390 3394 3395 3396 -0.18 3396 3394 H41 SLES 1 -37.5137 22.9381 28.3636 HAL2 3393 0 0 0 0.09 3397 3395 H42 SLES 1 -37.0254 22.4085 30.0206 HAL2 3393 0 0 0 0.09 3398 3396 C5 SLES 1 -37.9609 20.7916 28.796 CTL2 3393 3397 3398 3399 -0.18 3399 3397 H51 SLES 1 -38.7799 20.6977 28.0342 HAL2 3396 0 0 0 0.09 3400 3398 H52 SLES 1 -38.2962 20.1749 29.671 HAL2 3396 0 0 0 0.09 3401 3399 C6 SLES 1 -36.7929 20.1055 28.2317 CTL2 3396 3400 3401 3402 -0.18 3402 3400 H61 SLES 1 -37.1115 19.7189 27.2258 HAL2 3399 0 0 0 0.09 3403 3401 H62 SLES 1 -36.6262 19.1946 28.8672 HAL2 3399 0 0 0 0.09 3404 3402 C7 SLES 1 -35.5004 20.922 28.1112 CTL2 3399 3403 3404 3405 -0.18 3405 3403 H71 SLES 1 -35.5803 21.7989 27.4262 HAL2 3402 0 0 0 0.09 3406 3404 H72 SLES 1 -35.0891 21.2678 29.0878 HAL2 3402 0 0 0 0.09 3407 3405 C8 SLES 1 -34.6212 19.8816 27.5176 CTL2 3402 3406 3407 3408 -0.18 3408 3406 H81 SLES 1 -35.1089 19.5675 26.5524 HAL2 3405 0 0 0 0.09 3409 3407 H82 SLES 1 -34.608 19.0249 28.2499 HAL2 3405 0 0 0 0.09 3410 3408 C9 SLES 1 -33.2002 20.1884 27.1961 CTL2 3405 3409 3410 3411 -0.18 3411 3409 H91 SLES 1 -33.1439 21.016 26.4541 HAL2 3408 0 0 0 0.09 3412 3410 H92 SLES 1 -32.6523 20.4833 28.1191 HAL2 3408 0 0 0 0.09 3413 3411 C10 SLES 1 -32.7514 18.8416 26.6329 CTL2 3408 3412 3413 3414 -0.18 3414 3412 H10 SLES 1 -33.3893 18.5649 25.7504 HAL2 3411 0 0 0 0.09 3415 3413 H10 SLES 1 -32.9012 18.0367 27.403 HAL2 3411 0 0 0 0.09 3416 3414 C11 SLES 1 -31.3247 18.783 26.193 CTL2 3411 3415 3416 3417 -0.18 3417 3415 H11 SLES 1 -31.1852 19.568 25.4136 HAL2 3414 0 0 0 0.09 3418 3416 H11 SLES 1 -30.6941 19.037 27.0763 HAL2 3414 0 0 0 0.09 3419 3417 C12 SLES 1 -31.0182 17.3827 25.6543 CTL3 3414 3418 3419 3420 -0.27 3420 3418 H12 SLES 1 -30.7199 17.4425 24.5896 HAL3 3417 0 0 0 0.09 3421 3419 H12 SLES 1 -30.2252 16.907 26.2637 HAL3 3417 0 0 0 0.09 3422 3420 H12 SLES 1 -31.9057 16.7047 25.7001 HAL3 3417 0 0 0 0.09 3423 3421 NA SLES 1 -53.9112 16.4251 35.179 NA 0 0 0 0 1 3424 3422 S SLES 1 -54.0743 13.7503 33.7672 SL 3423 3424 3425 3426 1.33 3425 3423 OS1 SLES 1 -52.6713 14.1723 33.6165 OSL 3422 3427 0 0 -0.28 3426 3424 OS2 SLES 1 -54.5374 14.9669 33.1379 O2L 3422 0 0 0 -0.65 3427 3425 OS3 SLES 1 -53.968 13.8075 35.2068 O2L 3422 0 0 0 -0.65 3428 3426 OS4 SLES 1 -54.2035 12.4884 33.0943 O2L 3422 0 0 0 -0.65 3429 3427 C2 SLES 1 -51.6485 13.4965 33.0015 CC32A 3423 3428 3429 3430 -0.11 3430 3428 H2A SLES 1 -51.8832 13.3201 31.9185 HCA2 3427 0 0 0 0.09 3431 3429 H2B SLES 1 -51.452 12.5161 33.5113 HCA2 3427 0 0 0 0.09 3432 3430 C1 SLES 1 -50.4663 14.4746 33.1725 CC32A 3427 3431 3432 3433 -0.01 3433 3431 H1B SLES 1 -50.6883 15.4603 32.6871 HCA2 3430 0 0 0 0.09 3434 3432 H1A SLES 1 -50.2481 14.6497 34.2546 HCA2 3430 0 0 0 0.09 3435 3433 O1 SLES 1 -49.2258 14.1217 32.6523 OC30A 3430 3434 0 0 -0.34 3436 3434 C2 SLES 1 -49.1181 12.8851 31.9711 CC32A 3433 3435 3436 3437 -0.01 3437 3435 H2A SLES 1 -49.8192 12.8598 31.0883 HCA2 3434 0 0 0 0.09 3438 3436 H2B SLES 1 -49.3662 12.0301 32.6427 HCA2 3434 0 0 0 0.09 3439 3437 C1 SLES 1 -47.6494 13.3102 31.6062 CC32A 3434 3438 3439 3440 -0.01 3440 3438 H1B SLES 1 -47.8962 13.2686 30.5371 HCA2 3437 0 0 0 0.09 3441 3439 H1A SLES 1 -47.4226 12.4038 32.2765 HCA2 3437 0 0 0 0.09 3442 3440 O1 SLES 1 -46.2587 13.2328 31.428 OC30A 3437 3441 0 0 -0.34 3443 3441 C1 SLES 1 -45.7452 12.1961 30.6036 CTL2 3440 3442 3443 3444 -0.18 3444 3442 H11 SLES 1 -46.2552 12.0564 29.6099 HAL2 3441 0 0 0 0.09 3445 3443 H12 SLES 1 -45.7929 11.2137 31.1375 HAL2 3441 0 0 0 0.09 3446 3444 C2 SLES 1 -44.3123 12.7013 30.4401 CTL2 3441 3445 3446 3447 -0.18 3447 3445 H21 SLES 1 -44.2389 13.6512 29.8579 HAL2 3444 0 0 0 0.09 3448 3446 H22 SLES 1 -43.7793 12.8302 31.4135 HAL2 3444 0 0 0 0.09 3449 3447 C3 SLES 1 -43.6643 11.6153 29.6806 CTL2 3444 3448 3449 3450 -0.18 3450 3448 H31 SLES 1 -44.2507 11.5427 28.7244 HAL2 3447 0 0 0 0.09 3451 3449 H32 SLES 1 -43.7844 10.7002 30.324 HAL2 3447 0 0 0 0.09 3452 3450 C4 SLES 1 -42.2206 11.6879 29.3017 CTL2 3447 3451 3452 3453 -0.18 3453 3451 H41 SLES 1 -42.014 12.5747 28.6532 HAL2 3450 0 0 0 0.09 3454 3452 H42 SLES 1 -41.5667 11.7596 30.2023 HAL2 3450 0 0 0 0.09 3455 3453 C5 SLES 1 -42.1239 10.3442 28.5667 CTL2 3450 3454 3455 3456 -0.18 3456 3454 H51 SLES 1 -42.8572 10.3064 27.7177 HAL2 3453 0 0 0 0.09 3457 3455 H52 SLES 1 -42.414 9.50172 29.2483 HAL2 3453 0 0 0 0.09 3458 3456 C6 SLES 1 -40.8188 9.98514 28.0001 CTL2 3453 3457 3458 3459 -0.18 3459 3457 H61 SLES 1 -40.9929 9.79517 26.9063 HAL2 3456 0 0 0 0.09 3460 3458 H62 SLES 1 -40.5483 8.98833 28.4411 HAL2 3456 0 0 0 0.09 3461 3459 C7 SLES 1 -39.677 10.9894 28.1981 CTL2 3456 3460 3461 3462 -0.18 3462 3460 H71 SLES 1 -39.8528 11.9776 27.7112 HAL2 3459 0 0 0 0.09 3463 3461 H72 SLES 1 -39.4026 11.1605 29.2649 HAL2 3459 0 0 0 0.09 3464 3462 C8 SLES 1 -38.5939 10.2534 27.496 CTL2 3459 3463 3464 3465 -0.18 3465 3463 H81 SLES 1 -38.9494 10.0989 26.4387 HAL2 3462 0 0 0 0.09 3466 3464 H82 SLES 1 -38.4905 9.26397 28.0259 HAL2 3462 0 0 0 0.09 3467 3465 C9 SLES 1 -37.2251 10.8319 27.4043 CTL2 3462 3466 3467 3468 -0.18 3468 3466 H91 SLES 1 -37.2545 11.8058 26.8664 HAL2 3465 0 0 0 0.09 3469 3467 H92 SLES 1 -36.8041 10.9864 28.4232 HAL2 3465 0 0 0 0.09 3470 3468 C10 SLES 1 -36.5157 9.73039 26.6195 CTL2 3465 3469 3470 3471 -0.18 3471 3469 H10 SLES 1 -37.0313 9.57088 25.6341 HAL2 3468 0 0 0 0.09 3472 3470 H10 SLES 1 -36.584 8.7581 27.1793 HAL2 3468 0 0 0 0.09 3473 3471 C11 SLES 1 -35.0711 9.9851 26.3355 CTL2 3468 3472 3473 3474 -0.18 3474 3472 H11 SLES 1 -35.0089 10.9388 25.7614 HAL2 3471 0 0 0 0.09 3475 3473 H11 SLES 1 -34.5589 10.1216 27.3161 HAL2 3471 0 0 0 0.09 3476 3474 C12 SLES 1 -34.4944 8.8055 25.5476 CTL3 3471 3475 3476 3477 -0.27 3477 3475 H12 SLES 1 -34.133 9.14978 24.5592 HAL3 3474 0 0 0 0.09 3478 3476 H12 SLES 1 -33.6797 8.32599 26.1244 HAL3 3474 0 0 0 0.09 3479 3477 H12 SLES 1 -35.256 8.01138 25.3507 HAL3 3474 0 0 0 0.09 3480 3478 NA SLES 1 -56.1462 1.64418 35.6115 NA 0 0 0 0 1 3481 3479 S SLES 1 -55.8572 -0.607557 33.6065 SL 3480 3481 3482 3483 1.33 3482 3480 OS1 SLES 1 -54.5392 0.0495181 33.6295 OSL 3479 3484 0 0 -0.28 3483 3481 OS2 SLES 1 -56.5035 0.637759 33.257 O2L 3479 0 0 0 -0.65 3484 3482 OS3 SLES 1 -55.7789 -0.880562 35.023 O2L 3479 0 0 0 -0.65 3485 3483 OS4 SLES 1 -55.7723 -1.67631 32.6512 O2L 3479 0 0 0 -0.65 3486 3484 C2 SLES 1 -53.4132 -0.293442 32.9255 CC32A 3480 3485 3486 3487 -0.11 3487 3485 H2A SLES 1 -53.6032 -0.239842 31.821 HCA2 3484 0 0 0 0.09 3488 3486 H2B SLES 1 -53.0668 -1.32482 33.2009 HCA2 3484 0 0 0 0.09 3489 3487 C1 SLES 1 -52.4071 0.785828 33.38 CC32A 3484 3488 3489 3490 -0.01 3490 3488 H1B SLES 1 -52.7798 1.81251 33.1283 HCA2 3487 0 0 0 0.09 3491 3489 H1A SLES 1 -52.2331 0.728524 34.4825 HCA2 3487 0 0 0 0.09 3492 3490 O1 SLES 1 -51.1196 0.763312 32.8546 OC30A 3487 3491 0 0 -0.34 3493 3491 C2 SLES 1 -50.805 -0.242648 31.9092 CC32A 3490 3492 3493 3494 -0.01 3494 3492 H2A SLES 1 -51.4821 -0.164001 31.0109 HCA2 3491 0 0 0 0.09 3495 3493 H2B SLES 1 -50.9195 -1.26114 32.3486 HCA2 3491 0 0 0 0.09 3496 3494 C1 SLES 1 -49.4202 0.478817 31.7282 CC32A 3491 3495 3496 3497 -0.01 3497 3495 H1B SLES 1 -49.6441 0.65649 30.668 HCA2 3494 0 0 0 0.09 3498 3496 H1A SLES 1 -49.0578 -0.515444 32.1782 HCA2 3494 0 0 0 0.09 3499 3497 O1 SLES 1 -48.0332 0.661847 31.6069 OC30A 3494 3498 0 0 -0.34 3500 3498 C1 SLES 1 -47.3488 -0.0556061 30.5897 CTL2 3497 3499 3500 3501 -0.18 3501 3499 H11 SLES 1 -47.8175 -0.0306716 29.5665 HAL2 3498 0 0 0 0.09 3502 3500 H12 SLES 1 -47.2433 -1.13244 30.8756 HAL2 3498 0 0 0 0.09 3503 3501 C2 SLES 1 -46.0148 0.688909 30.6212 CTL2 3498 3502 3503 3504 -0.18 3504 3502 H21 SLES 1 -46.0891 1.75006 30.2819 HAL2 3501 0 0 0 0.09 3505 3503 H22 SLES 1 -45.5214 0.661981 31.6232 HAL2 3501 0 0 0 0.09 3506 3504 C3 SLES 1 -45.1904 -0.0705721 29.6621 CTL2 3501 3505 3506 3507 -0.18 3507 3505 H31 SLES 1 -45.7457 -0.00200562 28.6872 HAL2 3504 0 0 0 0.09 3508 3506 H32 SLES 1 -45.1685 -1.1202 30.0665 HAL2 3504 0 0 0 0.09 3509 3507 C4 SLES 1 -43.7731 0.312422 29.3838 CTL2 3504 3508 3509 3510 -0.18 3510 3508 H41 SLES 1 -43.7049 1.34952 28.972 HAL2 3507 0 0 0 0.09 3511 3509 H42 SLES 1 -43.1502 0.266707 30.3078 HAL2 3507 0 0 0 0.09 3512 3510 C5 SLES 1 -43.4513 -0.785032 28.3605 CTL2 3507 3511 3512 3513 -0.18 3513 3511 H51 SLES 1 -44.1585 -0.731426 27.4904 HAL2 3510 0 0 0 0.09 3514 3512 H52 SLES 1 -43.6094 -1.8004 28.8104 HAL2 3510 0 0 0 0.09 3515 3513 C6 SLES 1 -42.0985 -0.792326 27.7919 CTL2 3510 3514 3515 3516 -0.18 3516 3514 H61 SLES 1 -42.2264 -0.739757 26.6766 HAL2 3513 0 0 0 0.09 3517 3515 H62 SLES 1 -41.6756 -1.81162 28.0003 HAL2 3513 0 0 0 0.09 3518 3516 C7 SLES 1 -41.1368 0.29928 28.2765 CTL2 3513 3517 3518 3519 -0.18 3519 3517 H71 SLES 1 -41.4643 1.33595 28.0263 HAL2 3516 0 0 0 0.09 3520 3518 H72 SLES 1 -40.9066 0.250531 29.3662 HAL2 3516 0 0 0 0.09 3521 3519 C8 SLES 1 -39.9405 -0.0712677 27.477 CTL2 3516 3520 3521 3522 -0.18 3522 3520 H81 SLES 1 -40.2535 -0.0213796 26.3964 HAL2 3519 0 0 0 0.09 3523 3521 H82 SLES 1 -39.6847 -1.13052 27.7651 HAL2 3519 0 0 0 0.09 3524 3522 C9 SLES 1 -38.6824 0.716524 27.5922 CTL2 3519 3523 3524 3525 -0.18 3525 3523 H91 SLES 1 -38.8625 1.77424 27.2965 HAL2 3522 0 0 0 0.09 3526 3524 H92 SLES 1 -38.3042 0.685989 28.6387 HAL2 3522 0 0 0 0.09 3527 3525 C10 SLES 1 -37.7947 -0.0423176 26.608 CTL2 3522 3526 3527 3528 -0.18 3528 3526 H10 SLES 1 -38.2657 -0.0391775 25.588 HAL2 3525 0 0 0 0.09 3529 3527 H10 SLES 1 -37.7114 -1.11881 26.9205 HAL2 3525 0 0 0 0.09 3530 3528 C11 SLES 1 -36.407 0.492708 26.4645 CTL2 3525 3529 3530 3531 -0.18 3531 3529 H11 SLES 1 -36.493 1.55386 26.1334 HAL2 3528 0 0 0 0.09 3532 3530 H11 SLES 1 -35.9355 0.468091 27.4743 HAL2 3528 0 0 0 0.09 3533 3531 C12 SLES 1 -35.6375 -0.360704 25.4523 CTL3 3528 3532 3533 3534 -0.27 3534 3532 H12 SLES 1 -35.3247 0.261463 24.5914 HAL3 3531 0 0 0 0.09 3535 3533 H12 SLES 1 -34.7629 -0.832578 25.9411 HAL3 3531 0 0 0 0.09 3536 3534 H12 SLES 1 -36.2581 -1.19245 25.037 HAL3 3531 0 0 0 0.09 3537 3535 NA SLES 1 -54.4187 -13.2727 35.9653 NA 0 0 0 0 1 3538 3536 S SLES 1 -53.8868 -14.9152 33.4766 SL 3537 3538 3539 3540 1.33 3539 3537 OS1 SLES 1 -52.6865 -14.0774 33.6402 OSL 3536 3541 0 0 -0.28 3540 3538 OS2 SLES 1 -54.7343 -13.7442 33.4429 O2L 3536 0 0 0 -0.65 3541 3539 OS3 SLES 1 -53.6962 -15.4958 34.7857 O2L 3536 0 0 0 -0.65 3542 3540 OS4 SLES 1 -53.6861 -15.7024 32.2926 O2L 3536 0 0 0 -0.65 3543 3541 C2 SLES 1 -51.5579 -14.0591 32.8611 CC32A 3537 3542 3543 3544 -0.11 3544 3542 H2A SLES 1 -51.8092 -13.7799 31.8038 HCA2 3541 0 0 0 0.09 3545 3543 H2B SLES 1 -51.0431 -15.0562 32.8777 HCA2 3541 0 0 0 0.09 3546 3544 C1 SLES 1 -50.7089 -12.968 33.5483 CC32A 3541 3545 3546 3547 -0.01 3547 3545 H1B SLES 1 -51.2477 -11.9852 33.5539 HCA2 3544 0 0 0 0.09 3548 3546 H1A SLES 1 -50.4729 -13.2529 34.603 HCA2 3544 0 0 0 0.09 3549 3547 O1 SLES 1 -49.4614 -12.6582 33.0173 OC30A 3544 3548 0 0 -0.34 3550 3548 C2 SLES 1 -49.0432 -13.3503 31.8551 CC32A 3547 3549 3550 3551 -0.01 3551 3549 H2A SLES 1 -49.7685 -13.1742 31.0099 HCA2 3548 0 0 0 0.09 3552 3550 H2B SLES 1 -48.977 -14.4481 32.0396 HCA2 3548 0 0 0 0.09 3553 3551 C1 SLES 1 -47.7972 -12.3922 31.8352 CC32A 3548 3552 3553 3554 -0.01 3554 3552 H1B SLES 1 -48.0988 -12.0099 30.8511 HCA2 3551 0 0 0 0.09 3555 3553 H1A SLES 1 -47.2635 -13.392 32.03 HCA2 3551 0 0 0 0.09 3556 3554 O1 SLES 1 -46.4629 -11.9638 31.7445 OC30A 3551 3555 0 0 -0.34 3557 3555 C1 SLES 1 -45.728 -12.3027 30.577 CTL2 3554 3556 3557 3558 -0.18 3558 3556 H11 SLES 1 -46.2458 -12.1152 29.5952 HAL2 3555 0 0 0 0.09 3559 3557 H12 SLES 1 -45.4433 -13.3849 30.5959 HAL2 3555 0 0 0 0.09 3560 3558 C2 SLES 1 -44.525 -11.3805 30.7696 CTL2 3555 3559 3560 3561 -0.18 3561 3559 H21 SLES 1 -44.7791 -10.2958 30.6949 HAL2 3558 0 0 0 0.09 3562 3560 H22 SLES 1 -43.9836 -11.561 31.7301 HAL2 3558 0 0 0 0.09 3563 3561 C3 SLES 1 -43.6425 -11.7506 29.6468 CTL2 3558 3562 3563 3564 -0.18 3564 3562 H31 SLES 1 -44.2501 -11.5465 28.7234 HAL2 3561 0 0 0 0.09 3565 3563 H32 SLES 1 -43.4386 -12.8479 29.7883 HAL2 3561 0 0 0 0.09 3566 3564 C4 SLES 1 -42.3171 -11.0889 29.4512 CTL2 3561 3565 3566 3567 -0.18 3567 3565 H41 SLES 1 -42.4306 -9.98725 29.2985 HAL2 3564 0 0 0 0.09 3568 3566 H42 SLES 1 -41.649 -11.2482 30.3299 HAL2 3564 0 0 0 0.09 3569 3567 C5 SLES 1 -41.8816 -11.8493 28.1913 CTL2 3564 3568 3569 3570 -0.18 3570 3568 H51 SLES 1 -42.6315 -11.7087 27.3679 HAL2 3567 0 0 0 0.09 3571 3569 H52 SLES 1 -41.8583 -12.9536 28.3873 HAL2 3567 0 0 0 0.09 3572 3570 C6 SLES 1 -40.5743 -11.5043 27.6212 CTL2 3567 3571 3572 3573 -0.18 3573 3571 H61 SLES 1 -40.7646 -11.2135 26.5525 HAL2 3570 0 0 0 0.09 3574 3572 H62 SLES 1 -39.9891 -12.4617 27.5747 HAL2 3570 0 0 0 0.09 3575 3573 C7 SLES 1 -39.7693 -10.4156 28.3412 CTL2 3570 3574 3575 3576 -0.18 3576 3574 H71 SLES 1 -40.2651 -9.41622 28.3501 HAL2 3573 0 0 0 0.09 3577 3575 H72 SLES 1 -39.4799 -10.6801 29.3847 HAL2 3573 0 0 0 0.09 3578 3576 C8 SLES 1 -38.5719 -10.39 27.4619 CTL2 3573 3577 3578 3579 -0.18 3579 3577 H81 SLES 1 -38.9428 -10.1399 26.4285 HAL2 3576 0 0 0 0.09 3580 3578 H82 SLES 1 -38.1416 -11.4315 27.4853 HAL2 3576 0 0 0 0.09 3581 3579 C9 SLES 1 -37.4463 -9.45814 27.747 CTL2 3576 3580 3581 3582 -0.18 3582 3580 H91 SLES 1 -37.8021 -8.40409 27.7149 HAL2 3579 0 0 0 0.09 3583 3581 H92 SLES 1 -37.0158 -9.67118 28.7512 HAL2 3579 0 0 0 0.09 3584 3582 C10 SLES 1 -36.5027 -9.81152 26.5992 CTL2 3579 3583 3584 3585 -0.18 3585 3583 H10 SLES 1 -37.0192 -9.64599 25.6153 HAL2 3582 0 0 0 0.09 3586 3584 H10 SLES 1 -36.2387 -10.9032 26.6443 HAL2 3582 0 0 0 0.09 3587 3585 C11 SLES 1 -35.2232 -9.04043 26.5712 CTL2 3582 3586 3587 3588 -0.18 3588 3586 H11 SLES 1 -35.4885 -7.95959 26.5045 HAL2 3585 0 0 0 0.09 3589 3587 H11 SLES 1 -34.7034 -9.22409 27.54 HAL2 3585 0 0 0 0.09 3590 3588 C12 SLES 1 -34.3831 -9.49707 25.3751 CTL3 3585 3589 3590 3591 -0.27 3591 3589 H12 SLES 1 -34.2137 -8.64848 24.6842 HAL3 3588 0 0 0 0.09 3592 3590 H12 SLES 1 -33.4227 -9.92229 25.7262 HAL3 3588 0 0 0 0.09 3593 3591 H12 SLES 1 -34.888 -10.2977 24.7804 HAL3 3588 0 0 0 0.09 3594 3592 NA SLES 1 -48.8061 -27.2568 36.2161 NA 0 0 0 0 1 3595 3593 S SLES 1 -48.3121 -28.2177 33.3864 SL 3594 3595 3596 3597 1.33 3596 3594 OS1 SLES 1 -47.2383 -27.2441 33.6479 OSL 3593 3598 0 0 -0.28 3597 3595 OS2 SLES 1 -49.3219 -27.2262 33.6828 O2L 3593 0 0 0 -0.65 3598 3596 OS3 SLES 1 -47.8961 -29.0234 34.5112 O2L 3593 0 0 0 -0.65 3599 3597 OS4 SLES 1 -48.1277 -28.6892 32.0427 O2L 3593 0 0 0 -0.65 3600 3598 C2 SLES 1 -46.2165 -26.8704 32.8127 CC32A 3594 3599 3600 3601 -0.11 3601 3599 H2A SLES 1 -46.6202 -26.4187 31.8683 HCA2 3598 0 0 0 0.09 3602 3600 H2B SLES 1 -45.5613 -27.7469 32.5638 HCA2 3598 0 0 0 0.09 3603 3601 C1 SLES 1 -45.4682 -25.8238 33.6661 CC32A 3598 3602 3603 3604 -0.01 3604 3602 H1B SLES 1 -46.1426 -24.9699 33.9351 HCA2 3601 0 0 0 0.09 3605 3603 H1A SLES 1 -45.0791 -26.283 34.6079 HCA2 3601 0 0 0 0.09 3606 3604 O1 SLES 1 -44.3457 -25.2025 33.1294 OC30A 3601 3605 0 0 -0.34 3607 3605 C2 SLES 1 -43.9592 -25.5505 31.8125 CC32A 3604 3606 3607 3608 -0.01 3608 3606 H2A SLES 1 -44.7905 -25.3231 31.0854 HCA2 3605 0 0 0 0.09 3609 3607 H2B SLES 1 -43.7117 -26.6352 31.7366 HCA2 3605 0 0 0 0.09 3610 3608 C1 SLES 1 -42.8782 -24.4144 31.9199 CC32A 3605 3609 3610 3611 -0.01 3611 3609 H1B SLES 1 -43.3386 -23.8875 31.0737 HCA2 3608 0 0 0 0.09 3612 3610 H1A SLES 1 -42.1846 -25.3283 31.842 HCA2 3608 0 0 0 0.09 3613 3611 O1 SLES 1 -41.6399 -23.7581 31.8314 OC30A 3608 3612 0 0 -0.34 3614 3612 C1 SLES 1 -40.9948 -23.7118 30.5666 CTL2 3611 3613 3614 3615 -0.18 3615 3613 H11 SLES 1 -41.6386 -23.4092 29.6941 HAL2 3612 0 0 0 0.09 3616 3614 H12 SLES 1 -40.5529 -24.7093 30.3174 HAL2 3612 0 0 0 0.09 3617 3615 C2 SLES 1 -39.9275 -22.6626 30.8752 CTL2 3612 3616 3617 3618 -0.18 3618 3616 H21 SLES 1 -40.3458 -21.6456 31.0685 HAL2 3615 0 0 0 0.09 3619 3617 H22 SLES 1 -39.2638 -22.9499 31.7269 HAL2 3615 0 0 0 0.09 3620 3618 C3 SLES 1 -39.1279 -22.631 29.6359 CTL2 3615 3619 3620 3621 -0.18 3621 3619 H31 SLES 1 -39.856 -22.3401 28.8305 HAL2 3618 0 0 0 0.09 3622 3620 H32 SLES 1 -38.7498 -23.6829 29.5082 HAL2 3618 0 0 0 0.09 3623 3621 C4 SLES 1 -37.9442 -21.7293 29.4992 CTL2 3618 3622 3623 3624 -0.18 3624 3622 H41 SLES 1 -38.2352 -20.6556 29.6104 HAL2 3621 0 0 0 0.09 3625 3623 H42 SLES 1 -37.168 -21.9574 30.267 HAL2 3621 0 0 0 0.09 3626 3624 C5 SLES 1 -37.5412 -22.1193 28.0708 CTL2 3621 3625 3626 3627 -0.18 3627 3625 H51 SLES 1 -38.3889 -21.9348 27.3585 HAL2 3624 0 0 0 0.09 3628 3626 H52 SLES 1 -37.3336 -23.2199 28.0077 HAL2 3624 0 0 0 0.09 3629 3627 C6 SLES 1 -36.3693 -21.4456 27.4997 CTL2 3624 3628 3629 3630 -0.18 3630 3628 H61 SLES 1 -36.716 -20.9701 26.5423 HAL2 3627 0 0 0 0.09 3631 3629 H62 SLES 1 -35.6577 -22.2587 27.1934 HAL2 3627 0 0 0 0.09 3632 3630 C7 SLES 1 -35.6604 -20.4158 28.3877 CTL2 3627 3631 3632 3633 -0.18 3633 3631 H71 SLES 1 -36.2945 -19.5393 28.6604 HAL2 3630 0 0 0 0.09 3634 3632 H72 SLES 1 -35.223 -20.844 29.3193 HAL2 3630 0 0 0 0.09 3635 3633 C8 SLES 1 -34.5831 -20.0022 27.4518 CTL2 3630 3634 3635 3636 -0.18 3636 3634 H81 SLES 1 -35.0974 -19.6037 26.5326 HAL2 3633 0 0 0 0.09 3637 3635 H82 SLES 1 -34.0036 -20.937 27.2055 HAL2 3633 0 0 0 0.09 3638 3636 C9 SLES 1 -33.5833 -18.9765 27.8581 CTL2 3633 3637 3638 3639 -0.18 3639 3637 H91 SLES 1 -34.0924 -18.0152 28.0933 HAL2 3636 0 0 0 0.09 3640 3638 H92 SLES 1 -33.0191 -19.3231 28.7529 HAL2 3636 0 0 0 0.09 3641 3639 C10 SLES 1 -32.7288 -18.9132 26.5938 CTL2 3636 3640 3641 3642 -0.18 3642 3640 H10 SLES 1 -33.3684 -18.6312 25.7142 HAL2 3639 0 0 0 0.09 3643 3641 H10 SLES 1 -32.303 -19.929 26.3694 HAL2 3639 0 0 0 0.09 3644 3642 C11 SLES 1 -31.5881 -17.9496 26.6482 CTL2 3639 3643 3644 3645 -0.18 3645 3643 H11 SLES 1 -32.0159 -16.9399 26.8492 HAL2 3642 0 0 0 0.09 3646 3644 H11 SLES 1 -30.9443 -18.2453 27.5088 HAL2 3642 0 0 0 0.09 3647 3645 C12 SLES 1 -30.8253 -17.9928 25.3211 CTL3 3642 3646 3647 3648 -0.27 3648 3646 H12 SLES 1 -30.8596 -17.0003 24.8312 HAL3 3645 0 0 0 0.09 3649 3647 H12 SLES 1 -29.7801 -18.3151 25.4945 HAL3 3645 0 0 0 0.09 3650 3648 H12 SLES 1 -31.2682 -18.7216 24.5984 HAL3 3645 0 0 0 0.09 3651 3649 NA SLES 1 -39.6821 -39.2898 36.3469 NA 0 0 0 0 1 3652 3650 S SLES 1 -39.5156 -39.6332 33.3421 SL 3651 3652 3653 3654 1.33 3653 3651 OS1 SLES 1 -38.5653 -38.5515 33.6522 OSL 3650 3655 0 0 -0.28 3654 3652 OS2 SLES 1 -40.5969 -38.899 33.9605 O2L 3650 0 0 0 -0.65 3655 3653 OS3 SLES 1 -38.8128 -40.542 34.2181 O2L 3650 0 0 0 -0.65 3656 3654 OS4 SLES 1 -39.4834 -39.8197 31.9187 O2L 3650 0 0 0 -0.65 3657 3655 C2 SLES 1 -37.7556 -37.8652 32.7835 CC32A 3651 3656 3657 3658 -0.11 3658 3656 H2A SLES 1 -38.3664 -37.3293 32.0099 HCA2 3655 0 0 0 0.09 3659 3657 H2B SLES 1 -37.0295 -38.5575 32.2804 HCA2 3655 0 0 0 0.09 3660 3658 C1 SLES 1 -37.0386 -36.8739 33.7253 CC32A 3655 3659 3660 3661 -0.01 3661 3659 H1B SLES 1 -37.7769 -36.2103 34.2458 HCA2 3658 0 0 0 0.09 3662 3660 H1A SLES 1 -36.4413 -37.4191 34.4967 HCA2 3658 0 0 0 0.09 3663 3661 O1 SLES 1 -36.1182 -35.9833 33.1832 OC30A 3658 3662 0 0 -0.34 3664 3662 C2 SLES 1 -35.9021 -36.0201 31.7844 CC32A 3661 3663 3664 3665 -0.01 3665 3663 H2A SLES 1 -36.8633 -35.8137 31.2322 HCA2 3662 0 0 0 0.09 3666 3664 H2B SLES 1 -35.5164 -37.015 31.4605 HCA2 3662 0 0 0 0.09 3667 3665 C1 SLES 1 -34.993 -34.7522 31.9766 CC32A 3662 3666 3667 3668 -0.01 3668 3666 H1B SLES 1 -35.6543 -34.1707 31.3207 HCA2 3665 0 0 0 0.09 3669 3667 H1A SLES 1 -34.1966 -35.5045 31.627 HCA2 3665 0 0 0 0.09 3670 3668 O1 SLES 1 -33.8926 -33.8875 31.8616 OC30A 3665 3669 0 0 -0.34 3671 3669 C1 SLES 1 -33.4724 -33.5069 30.5591 CTL2 3668 3670 3671 3672 -0.18 3672 3670 H11 SLES 1 -34.2847 -33.1696 29.8565 HAL2 3669 0 0 0 0.09 3673 3671 H12 SLES 1 -32.9372 -34.3532 30.0591 HAL2 3669 0 0 0 0.09 3674 3672 C2 SLES 1 -32.5318 -32.3614 30.9309 CTL2 3669 3673 3674 3675 -0.18 3675 3673 H21 SLES 1 -33.0557 -31.4823 31.3774 HAL2 3672 0 0 0 0.09 3676 3674 H22 SLES 1 -31.7057 -32.6768 31.6138 HAL2 3672 0 0 0 0.09 3677 3675 C3 SLES 1 -31.9546 -31.9731 29.6301 CTL2 3672 3676 3677 3678 -0.18 3678 3676 H31 SLES 1 -32.8368 -31.6735 29.0012 HAL2 3675 0 0 0 0.09 3679 3677 H32 SLES 1 -31.4544 -32.9045 29.2454 HAL2 3675 0 0 0 0.09 3680 3678 C4 SLES 1 -30.9506 -30.8713 29.5248 CTL2 3675 3679 3680 3681 -0.18 3681 3679 H41 SLES 1 -31.3715 -29.9009 29.8864 HAL2 3678 0 0 0 0.09 3682 3680 H42 SLES 1 -30.0366 -31.0951 30.1235 HAL2 3678 0 0 0 0.09 3683 3681 C5 SLES 1 -30.7303 -30.9262 28.007 CTL2 3678 3682 3683 3684 -0.18 3684 3682 H51 SLES 1 -31.699 -30.7668 27.4628 HAL2 3681 0 0 0 0.09 3685 3683 H52 SLES 1 -30.3792 -31.9457 27.6975 HAL2 3681 0 0 0 0.09 3686 3684 C6 SLES 1 -29.7747 -29.9703 27.4357 CTL2 3681 3685 3686 3687 -0.18 3687 3685 H61 SLES 1 -30.3355 -29.3992 26.6469 HAL2 3684 0 0 0 0.09 3688 3686 H62 SLES 1 -29.0119 -30.5812 26.8824 HAL2 3684 0 0 0 0.09 3689 3687 C7 SLES 1 -29.0883 -29.0081 28.4128 CTL2 3684 3688 3689 3690 -0.18 3690 3688 H71 SLES 1 -29.7899 -28.3165 28.9362 HAL2 3687 0 0 0 0.09 3691 3689 H72 SLES 1 -28.4499 -29.5132 29.1743 HAL2 3687 0 0 0 0.09 3692 3690 C8 SLES 1 -28.2462 -28.2557 27.4472 CTL2 3687 3691 3692 3693 -0.18 3693 3691 H81 SLES 1 -28.9534 -27.7949 26.7018 HAL2 3690 0 0 0 0.09 3694 3692 H82 SLES 1 -27.5852 -29.018 26.9448 HAL2 3690 0 0 0 0.09 3695 3693 C9 SLES 1 -27.3524 -27.1619 27.9179 CTL2 3690 3694 3695 3696 -0.18 3696 3694 H91 SLES 1 -27.9502 -26.3599 28.4058 HAL2 3693 0 0 0 0.09 3697 3695 H92 SLES 1 -26.6078 -27.5595 28.6437 HAL2 3693 0 0 0 0.09 3698 3696 C10 SLES 1 -26.7301 -26.7289 26.5921 CTL2 3693 3697 3698 3699 -0.18 3699 3697 H10 SLES 1 -27.5365 -26.4096 25.8779 HAL2 3696 0 0 0 0.09 3700 3698 H10 SLES 1 -26.2041 -27.6 26.1146 HAL2 3696 0 0 0 0.09 3701 3699 C11 SLES 1 -25.7463 -25.6086 26.6903 CTL2 3696 3700 3701 3702 -0.18 3702 3700 H11 SLES 1 -26.2772 -24.7396 27.1442 HAL2 3699 0 0 0 0.09 3703 3701 H11 SLES 1 -24.9369 -25.9372 27.3827 HAL2 3699 0 0 0 0.09 3704 3702 C12 SLES 1 -25.2084 -25.2834 25.294 CTL3 3699 3703 3704 3705 -0.27 3705 3703 H12 SLES 1 -25.4635 -24.2407 25.0224 HAL3 3702 0 0 0 0.09 3706 3704 H12 SLES 1 -24.1135 -25.4467 25.2617 HAL3 3702 0 0 0 0.09 3707 3705 H12 SLES 1 -25.6519 -25.9375 24.5034 HAL3 3702 0 0 0 0.09 3708 3706 NA SLES 1 -27.6934 -48.4906 36.3488 NA 0 0 0 0 1 3709 3707 S SLES 1 -28.0868 -48.4066 33.3467 SL 3708 3709 3710 3711 1.33 3710 3708 OS1 SLES 1 -27.2595 -47.2271 33.6526 OSL 3707 3712 0 0 -0.28 3711 3709 OS2 SLES 1 -29.1159 -47.9562 34.257 O2L 3707 0 0 0 -0.65 3712 3710 OS3 SLES 1 -27.0987 -49.287 33.9264 O2L 3707 0 0 0 -0.65 3713 3711 OS4 SLES 1 -28.3149 -48.3982 31.929 O2L 3707 0 0 0 -0.65 3714 3712 C2 SLES 1 -26.7484 -46.3047 32.7756 CC32A 3708 3713 3714 3715 -0.11 3715 3713 H2A SLES 1 -27.573 -45.786 32.219 HCA2 3712 0 0 0 0.09 3716 3714 H2B SLES 1 -26.0463 -46.7903 32.047 HCA2 3712 0 0 0 0.09 3717 3715 C1 SLES 1 -26.0072 -45.3357 33.7218 CC32A 3712 3716 3717 3718 -0.01 3718 3716 H1B SLES 1 -26.7135 -44.8825 34.4649 HCA2 3715 0 0 0 0.09 3719 3717 H1A SLES 1 -25.1948 -45.8656 34.2772 HCA2 3715 0 0 0 0.09 3720 3718 O1 SLES 1 -25.3527 -44.2372 33.1751 OC30A 3715 3719 0 0 -0.34 3721 3719 C2 SLES 1 -25.4192 -44.0541 31.7726 CC32A 3718 3720 3721 3722 -0.01 3722 3720 H2A SLES 1 -26.4913 -43.9462 31.4403 HCA2 3719 0 0 0 0.09 3723 3721 H2B SLES 1 -24.9673 -44.917 31.2299 HCA2 3719 0 0 0 0.09 3724 3722 C1 SLES 1 -24.6823 -42.6846 32.0013 CC32A 3719 3723 3724 3725 -0.01 3725 3723 H1B SLES 1 -25.5387 -42.1453 31.5754 HCA2 3722 0 0 0 0.09 3726 3724 H1A SLES 1 -23.8726 -43.2366 31.3997 HCA2 3722 0 0 0 0.09 3727 3725 O1 SLES 1 -23.7638 -41.6358 31.8331 OC30A 3722 3726 0 0 -0.34 3728 3726 C1 SLES 1 -23.6734 -41.0225 30.5549 CTL2 3725 3727 3728 3729 -0.18 3729 3727 H11 SLES 1 -24.6503 -40.7417 30.0712 HAL2 3726 0 0 0 0.09 3730 3728 H12 SLES 1 -23.1334 -41.6918 29.8386 HAL2 3726 0 0 0 0.09 3731 3729 C2 SLES 1 -22.8523 -39.7905 30.9329 CTL2 3726 3730 3731 3732 -0.18 3732 3730 H21 SLES 1 -23.3967 -39.0803 31.6006 HAL2 3729 0 0 0 0.09 3733 3731 H22 SLES 1 -21.869 -40.0449 31.3985 HAL2 3729 0 0 0 0.09 3734 3732 C3 SLES 1 -22.6105 -39.1427 29.6297 CTL2 3729 3733 3734 3735 -0.18 3735 3733 H31 SLES 1 -23.6348 -38.9204 29.2239 HAL2 3732 0 0 0 0.09 3736 3734 H32 SLES 1 -22.0689 -39.9162 29.0178 HAL2 3732 0 0 0 0.09 3737 3735 C4 SLES 1 -21.8175 -37.8804 29.526 CTL2 3732 3736 3737 3738 -0.18 3738 3736 H41 SLES 1 -22.2925 -37.0523 30.1078 HAL2 3735 0 0 0 0.09 3739 3737 H42 SLES 1 -20.7793 -38.0194 29.909 HAL2 3735 0 0 0 0.09 3740 3738 C5 SLES 1 -21.9013 -37.6988 28.0045 CTL2 3735 3739 3740 3741 -0.18 3741 3739 H51 SLES 1 -22.9723 -37.6392 27.6737 HAL2 3738 0 0 0 0.09 3742 3740 H52 SLES 1 -21.4765 -38.5936 27.478 HAL2 3738 0 0 0 0.09 3743 3741 C6 SLES 1 -21.228 -36.5266 27.4336 CTL2 3738 3742 3743 3744 -0.18 3744 3742 H61 SLES 1 -22.0122 -35.9629 26.859 HAL2 3741 0 0 0 0.09 3745 3743 H62 SLES 1 -20.5121 -36.9199 26.6628 HAL2 3741 0 0 0 0.09 3746 3744 C7 SLES 1 -20.505 -35.5959 28.4148 CTL2 3741 3745 3746 3747 -0.18 3747 3745 H71 SLES 1 -21.1792 -35.1094 29.1587 HAL2 3744 0 0 0 0.09 3748 3746 H72 SLES 1 -19.6606 -36.0783 28.9597 HAL2 3744 0 0 0 0.09 3749 3747 C8 SLES 1 -19.9916 -34.5908 27.4485 CTL2 3744 3748 3749 3750 -0.18 3750 3748 H81 SLES 1 -20.8931 -34.1656 26.9244 HAL2 3747 0 0 0 0.09 3751 3749 H82 SLES 1 -19.3424 -35.156 26.7209 HAL2 3747 0 0 0 0.09 3752 3750 C9 SLES 1 -19.1885 -33.4301 27.9225 CTL2 3747 3751 3752 3753 -0.18 3753 3751 H91 SLES 1 -19.7852 -32.8133 28.6311 HAL2 3750 0 0 0 0.09 3754 3752 H92 SLES 1 -18.2639 -33.7845 28.4311 HAL2 3750 0 0 0 0.09 3755 3753 C10 SLES 1 -18.9145 -32.7278 26.5942 CTL2 3750 3754 3755 3756 -0.18 3756 3754 H10 SLES 1 -19.8854 -32.462 26.0953 HAL2 3753 0 0 0 0.09 3757 3755 H10 SLES 1 -18.3753 -33.4258 25.8973 HAL2 3753 0 0 0 0.09 3758 3756 C11 SLES 1 -18.1029 -31.4773 26.6947 CTL2 3753 3757 3758 3759 -0.18 3759 3757 H11 SLES 1 -18.6513 -30.7791 27.3692 HAL2 3756 0 0 0 0.09 3760 3758 H11 SLES 1 -17.1321 -31.7488 27.1705 HAL2 3756 0 0 0 0.09 3761 3759 C12 SLES 1 -17.9093 -30.8857 25.2957 CTL3 3756 3760 3761 3762 -0.27 3762 3760 H12 SLES 1 -18.3613 -29.8761 25.2447 HAL3 3759 0 0 0 0.09 3763 3761 H12 SLES 1 -16.8314 -30.8524 25.0437 HAL3 3759 0 0 0 0.09 3764 3762 H12 SLES 1 -18.4037 -31.4979 24.5019 HAL3 3759 0 0 0 0.09 3765 3763 NA SLES 1 -13.7093 -54.1918 36.2216 NA 0 0 0 0 1 3766 3764 S SLES 1 -14.7843 -53.9548 33.3998 SL 3765 3766 3767 3768 1.33 3767 3765 OS1 SLES 1 -14.0928 -52.6785 33.6493 OSL 3764 3769 0 0 -0.28 3768 3766 OS2 SLES 1 -15.6339 -53.7522 34.5521 O2L 3764 0 0 0 -0.65 3769 3767 OS3 SLES 1 -13.5712 -54.6964 33.656 O2L 3764 0 0 0 -0.65 3770 3768 OS4 SLES 1 -15.3281 -53.8806 32.0729 O2L 3764 0 0 0 -0.65 3771 3769 C2 SLES 1 -13.9371 -51.6213 32.7895 CC32A 3765 3770 3771 3772 -0.11 3772 3770 H2A SLES 1 -14.9342 -51.2093 32.4814 HCA2 3769 0 0 0 0.09 3773 3771 H2B SLES 1 -13.3556 -51.9268 31.8795 HCA2 3769 0 0 0 0.09 3774 3772 C1 SLES 1 -13.1514 -50.6136 33.656 CC32A 3769 3773 3774 3775 -0.01 3775 3773 H1B SLES 1 -13.7288 -50.3417 34.5774 HCA2 3772 0 0 0 0.09 3776 3774 H1A SLES 1 -12.1646 -51.0384 33.9643 HCA2 3772 0 0 0 0.09 3777 3775 O1 SLES 1 -12.8084 -49.3833 33.1055 OC30A 3772 3776 0 0 -0.34 3778 3776 C2 SLES 1 -13.219 -49.1114 31.778 CC32A 3775 3777 3778 3779 -0.01 3779 3777 H2A SLES 1 -14.3425 -49.1615 31.6956 HCA2 3776 0 0 0 0.09 3780 3778 H2B SLES 1 -12.7802 -49.8437 31.0606 HCA2 3776 0 0 0 0.09 3781 3779 C1 SLES 1 -12.6601 -47.658 31.9925 CC32A 3776 3780 3781 3782 -0.01 3782 3780 H1B SLES 1 -13.6611 -47.2408 31.8202 HCA2 3779 0 0 0 0.09 3783 3781 H1A SLES 1 -11.9363 -48.02 31.1755 HCA2 3779 0 0 0 0.09 3784 3782 O1 SLES 1 -11.9695 -46.46 31.7478 OC30A 3779 3783 0 0 -0.34 3785 3783 C1 SLES 1 -12.2643 -45.748 30.5545 CTL2 3782 3784 3785 3786 -0.18 3786 3784 H11 SLES 1 -13.3563 -45.6008 30.3237 HAL2 3783 0 0 0 0.09 3787 3785 H12 SLES 1 -11.809 -46.2622 29.6709 HAL2 3783 0 0 0 0.09 3788 3786 C2 SLES 1 -11.5701 -44.4264 30.8809 CTL2 3783 3787 3788 3789 -0.18 3789 3787 H21 SLES 1 -12.047 -43.8691 31.7227 HAL2 3786 0 0 0 0.09 3790 3788 H22 SLES 1 -10.4801 -44.5453 31.0957 HAL2 3786 0 0 0 0.09 3791 3789 C3 SLES 1 -11.7301 -43.6532 29.6348 CTL2 3786 3790 3791 3792 -0.18 3792 3790 H31 SLES 1 -12.8412 -43.5773 29.4834 HAL2 3789 0 0 0 0.09 3793 3791 H32 SLES 1 -11.234 -44.2773 28.8409 HAL2 3789 0 0 0 0.09 3794 3792 C4 SLES 1 -11.1771 -42.2712 29.5029 CTL2 3789 3793 3794 3795 -0.18 3795 3793 H41 SLES 1 -11.6241 -41.58 30.2593 HAL2 3792 0 0 0 0.09 3796 3794 H42 SLES 1 -10.0701 -42.2612 29.6384 HAL2 3792 0 0 0 0.09 3797 3795 C5 SLES 1 -11.6313 -41.9949 28.0633 CTL2 3792 3796 3797 3798 -0.18 3798 3796 H51 SLES 1 -12.7462 -42.0923 27.9769 HAL2 3795 0 0 0 0.09 3799 3797 H52 SLES 1 -11.2101 -42.7643 27.3639 HAL2 3795 0 0 0 0.09 3800 3798 C6 SLES 1 -11.2866 -40.6874 27.4934 CTL2 3795 3799 3800 3801 -0.18 3801 3799 H61 SLES 1 -12.2556 -40.2231 27.1642 HAL2 3798 0 0 0 0.09 3802 3800 H62 SLES 1 -10.7151 -40.8967 26.5495 HAL2 3798 0 0 0 0.09 3803 3801 C7 SLES 1 -10.5048 -39.723 28.3936 CTL2 3798 3802 3803 3804 -0.18 3804 3802 H71 SLES 1 -11.0561 -39.4129 29.3126 HAL2 3801 0 0 0 0.09 3805 3803 H72 SLES 1 -9.49666 -40.095 28.6901 HAL2 3801 0 0 0 0.09 3806 3804 C8 SLES 1 -10.3795 -38.5774 27.4557 CTL2 3801 3805 3806 3807 -0.18 3807 3805 H81 SLES 1 -11.4293 -38.2728 27.1853 HAL2 3804 0 0 0 0.09 3808 3806 H82 SLES 1 -9.83687 -38.9702 26.5493 HAL2 3804 0 0 0 0.09 3809 3807 C9 SLES 1 -9.67008 -37.3361 27.8714 CTL2 3804 3808 3809 3810 -0.18 3810 3808 H91 SLES 1 -10.1741 -36.8823 28.7539 HAL2 3807 0 0 0 0.09 3811 3809 H92 SLES 1 -8.61196 -37.5662 28.1295 HAL2 3807 0 0 0 0.09 3812 3810 C10 SLES 1 -9.81284 -36.502 26.6 CTL2 3807 3811 3812 3813 -0.18 3813 3811 H10 SLES 1 -10.9002 -36.3675 26.3515 HAL2 3810 0 0 0 0.09 3814 3812 H10 SLES 1 -9.34958 -37.0461 25.7323 HAL2 3810 0 0 0 0.09 3815 3813 C11 SLES 1 -9.19369 -35.1435 26.6611 CTL2 3810 3814 3815 3816 -0.18 3816 3814 H11 SLES 1 -9.67096 -34.5991 27.509 HAL2 3813 0 0 0 0.09 3817 3815 H11 SLES 1 -8.11087 -35.2819 26.8865 HAL2 3813 0 0 0 0.09 3818 3816 C12 SLES 1 -9.41358 -34.4265 25.3261 CTL3 3813 3817 3818 3819 -0.27 3819 3817 H12 SLES 1 -10.0094 -33.5065 25.483 HAL3 3816 0 0 0 0.09 3820 3818 H12 SLES 1 -8.43854 -34.1938 24.8553 HAL3 3816 0 0 0 0.09 3821 3819 H12 SLES 1 -9.9798 -35.0531 24.5939 HAL3 3816 0 0 0 0.09 3822 3820 NA SLES 1 1.2519 -55.996 35.974 NA 0 0 0 0 1 3823 3821 S SLES 1 -0.48998 -55.9022 33.4978 SL 3822 3823 3824 3825 1.33 3824 3822 OS1 SLES 1 0.0356554 -54.5339 33.6423 OSL 3821 3826 0 0 -0.28 3825 3823 OS2 SLES 1 -1.06018 -55.8537 34.8257 O2L 3821 0 0 0 -0.65 3826 3824 OS3 SLES 1 0.848698 -56.4407 33.4254 O2L 3821 0 0 0 -0.65 3827 3825 OS4 SLES 1 -1.34 -55.901 32.3405 O2L 3821 0 0 0 -0.65 3828 3826 C2 SLES 1 -0.183811 -53.4551 32.8242 CC32A 3822 3827 3828 3829 -0.11 3829 3827 H2A SLES 1 -1.27696 -53.2063 32.7792 HCA2 3826 0 0 0 0.09 3830 3828 H2B SLES 1 0.203164 -53.6515 31.7892 HCA2 3826 0 0 0 0.09 3831 3829 C1 SLES 1 0.621073 -52.344 33.5322 CC32A 3826 3830 3831 3832 -0.01 3832 3830 H1B SLES 1 0.245908 -52.1803 34.5756 HCA2 3829 0 0 0 0.09 3833 3831 H1A SLES 1 1.7063 -52.6073 33.5792 HCA2 3829 0 0 0 0.09 3834 3832 O1 SLES 1 0.6284 -51.068 32.9793 OC30A 3829 3833 0 0 -0.34 3835 3833 C2 SLES 1 -0.124691 -50.8501 31.8002 CC32A 3832 3834 3835 3836 -0.01 3836 3834 H2A SLES 1 -1.21367 -51.0804 31.9807 HCA2 3833 0 0 0 0.09 3837 3835 H2B SLES 1 0.23748 -51.493 30.9641 HCA2 3833 0 0 0 0.09 3838 3836 C1 SLES 1 0.238069 -49.3281 31.9506 CC32A 3833 3837 3838 3839 -0.01 3839 3837 H1B SLES 1 -0.827066 -49.0763 32.0387 HCA2 3836 0 0 0 0.09 3840 3838 H1A SLES 1 0.792486 -49.5583 30.9698 HCA2 3836 0 0 0 0.09 3841 3839 O1 SLES 1 0.656792 -48.0313 31.6116 OC30A 3836 3840 0 0 -0.34 3842 3840 C1 SLES 1 -0.0211082 -47.362 30.5578 CTL2 3839 3841 3842 3843 -0.18 3843 3841 H11 SLES 1 -1.1458 -47.3908 30.5967 HAL2 3840 0 0 0 0.09 3844 3842 H12 SLES 1 0.28348 -47.7851 29.5675 HAL2 3840 0 0 0 0.09 3845 3843 C2 SLES 1 0.518503 -45.9496 30.7786 CTL2 3840 3844 3845 3846 -0.18 3846 3844 H21 SLES 1 0.176663 -45.487 31.7356 HAL2 3843 0 0 0 0.09 3847 3845 H22 SLES 1 1.63312 -45.893 30.726 HAL2 3843 0 0 0 0.09 3848 3846 C3 SLES 1 -0.0521241 -45.1975 29.645 CTL2 3843 3847 3848 3849 -0.18 3849 3847 H31 SLES 1 -1.16526 -45.3006 29.7619 HAL2 3846 0 0 0 0.09 3850 3848 H32 SLES 1 0.329941 -45.7234 28.7268 HAL2 3846 0 0 0 0.09 3851 3849 C4 SLES 1 0.233177 -43.7427 29.457 CTL2 3846 3850 3851 3852 -0.18 3852 3850 H41 SLES 1 -0.121143 -43.1421 30.3308 HAL2 3849 0 0 0 0.09 3853 3851 H42 SLES 1 1.32523 -43.5553 29.3299 HAL2 3849 0 0 0 0.09 3854 3852 C5 SLES 1 -0.589096 -43.5263 28.1795 CTL2 3849 3853 3854 3855 -0.18 3855 3853 H51 SLES 1 -1.66356 -43.8018 28.3516 HAL2 3852 0 0 0 0.09 3856 3854 H52 SLES 1 -0.233893 -44.2088 27.3632 HAL2 3852 0 0 0 0.09 3857 3855 C6 SLES 1 -0.596769 -42.1734 27.6112 CTL2 3852 3856 3857 3858 -0.18 3858 3856 H61 SLES 1 -1.67606 -41.8681 27.5416 HAL2 3855 0 0 0 0.09 3859 3857 H62 SLES 1 -0.242321 -42.2761 26.5505 HAL2 3855 0 0 0 0.09 3860 3858 C7 SLES 1 0.219079 -41.1061 28.3506 CTL2 3855 3859 3860 3861 -0.18 3861 3859 H71 SLES 1 -0.137471 -40.9005 29.3876 HAL2 3858 0 0 0 0.09 3862 3860 H72 SLES 1 1.31388 -41.3135 28.3838 HAL2 3858 0 0 0 0.09 3863 3861 C8 SLES 1 -0.0617829 -39.9441 27.4683 CTL2 3858 3862 3863 3864 -0.18 3864 3862 H81 SLES 1 -1.1799 -39.8102 27.4668 HAL2 3861 0 0 0 0.09 3865 3863 H82 SLES 1 0.302254 -40.233 26.4414 HAL2 3861 0 0 0 0.09 3866 3864 C9 SLES 1 0.526095 -38.6095 27.7681 CTL2 3861 3865 3866 3867 -0.18 3867 3865 H91 SLES 1 0.183926 -38.2539 28.7657 HAL2 3864 0 0 0 0.09 3868 3866 H92 SLES 1 1.63769 -38.6684 27.7595 HAL2 3864 0 0 0 0.09 3869 3867 C10 SLES 1 -0.0435056 -37.7942 26.6091 CTL2 3864 3868 3869 3870 -0.18 3870 3868 H10 SLES 1 -1.1661 -37.8345 26.6291 HAL2 3867 0 0 0 0.09 3871 3869 H10 SLES 1 0.277096 -38.2456 25.6309 HAL2 3867 0 0 0 0.09 3872 3870 C11 SLES 1 0.355008 -36.3543 26.5917 CTL2 3867 3871 3872 3873 -0.18 3873 3871 H11 SLES 1 0.0162057 -35.9046 27.554 HAL2 3870 0 0 0 0.09 3874 3872 H11 SLES 1 1.46831 -36.3183 26.5502 HAL2 3870 0 0 0 0.09 3875 3873 C12 SLES 1 -0.285688 -35.6662 25.383 CTL3 3870 3874 3875 3876 -0.27 3876 3874 H12 SLES 1 -0.961353 -34.8568 25.7212 HAL3 3873 0 0 0 0.09 3877 3875 H12 SLES 1 0.500563 -35.2731 24.7094 HAL3 3873 0 0 0 0.09 3878 3876 H12 SLES 1 -0.906853 -36.3674 24.7732 HAL3 3873 0 0 0 0.09 3879 3877 NA SLES 1 16.1096 -53.8054 35.6229 NA 0 0 0 0 1 3880 3878 S SLES 1 13.8449 -54.106 33.6341 SL 3879 3880 3881 3882 1.33 3881 3879 OS1 SLES 1 14.1611 -52.6675 33.6322 OSL 3878 3883 0 0 -0.28 3882 3880 OS2 SLES 1 13.6013 -54.0795 35.0591 O2L 3878 0 0 0 -0.65 3883 3881 OS3 SLES 1 15.1984 -54.4344 33.2502 O2L 3878 0 0 0 -0.65 3884 3882 OS4 SLES 1 12.7589 -54.2942 32.7137 O2L 3878 0 0 0 -0.65 3885 3883 C2 SLES 1 13.5846 -51.678 32.8774 CC32A 3879 3884 3885 3886 -0.11 3886 3884 H2A SLES 1 12.4859 -51.6035 33.0921 HCA2 3883 0 0 0 0.09 3887 3885 H2B SLES 1 13.7451 -51.8641 31.7823 HCA2 3883 0 0 0 0.09 3888 3886 C1 SLES 1 14.3421 -50.4219 33.3589 CC32A 3883 3887 3888 3889 -0.01 3889 3887 H1B SLES 1 14.2002 -50.2658 34.4598 HCA2 3886 0 0 0 0.09 3890 3888 H1A SLES 1 15.4361 -50.5118 33.1483 HCA2 3886 0 0 0 0.09 3891 3889 O1 SLES 1 14.0132 -49.1894 32.805 OC30A 3886 3890 0 0 -0.34 3892 3890 C2 SLES 1 12.98 -49.1499 31.8376 CC32A 3889 3891 3892 3893 -0.01 3893 3891 H2A SLES 1 12.0155 -49.5361 32.276 HCA2 3890 0 0 0 0.09 3894 3892 H2B SLES 1 13.2355 -49.7704 30.947 HCA2 3890 0 0 0 0.09 3895 3893 C1 SLES 1 13.1166 -47.5845 31.8786 CC32A 3890 3894 3895 3896 -0.01 3896 3894 H1B SLES 1 12.0754 -47.496 32.2158 HCA2 3893 0 0 0 0.09 3897 3895 H1A SLES 1 13.4557 -47.7754 30.7965 HCA2 3893 0 0 0 0.09 3898 3896 O1 SLES 1 13.2287 -46.2573 31.4337 OC30A 3893 3897 0 0 -0.34 3899 3897 C1 SLES 1 12.2239 -45.7545 30.5646 CTL2 3896 3898 3899 3900 -0.18 3900 3898 H11 SLES 1 11.1594 -45.9545 30.8717 HAL2 3897 0 0 0 0.09 3901 3899 H12 SLES 1 12.3525 -46.1747 29.5354 HAL2 3897 0 0 0 0.09 3902 3900 C2 SLES 1 12.5642 -44.2664 30.6329 CTL2 3897 3901 3902 3903 -0.18 3903 3901 H21 SLES 1 12.3857 -43.8146 31.6382 HAL2 3900 0 0 0 0.09 3904 3902 H22 SLES 1 13.6113 -44.0412 30.3147 HAL2 3900 0 0 0 0.09 3905 3903 C3 SLES 1 11.6301 -43.6693 29.6597 CTL2 3900 3904 3905 3906 -0.18 3906 3904 H31 SLES 1 10.6071 -43.9369 30.0406 HAL2 3903 0 0 0 0.09 3907 3905 H32 SLES 1 11.8666 -44.1755 28.6831 HAL2 3903 0 0 0 0.09 3908 3906 C4 SLES 1 11.6241 -42.1993 29.3914 CTL2 3903 3907 3908 3909 -0.18 3909 3907 H41 SLES 1 11.3918 -41.6174 30.3172 HAL2 3906 0 0 0 0.09 3910 3908 H42 SLES 1 12.611 -41.8522 29.0046 HAL2 3906 0 0 0 0.09 3911 3909 C5 SLES 1 10.5018 -42.1768 28.345 CTL2 3906 3910 3911 3912 -0.18 3912 3910 H51 SLES 1 9.55665 -42.6058 28.7724 HAL2 3909 0 0 0 0.09 3913 3911 H52 SLES 1 10.7617 -42.8365 27.4758 HAL2 3909 0 0 0 0.09 3914 3912 C6 SLES 1 10.1424 -40.8716 27.7788 CTL2 3909 3913 3914 3915 -0.18 3915 3913 H61 SLES 1 9.04209 -40.7404 27.9657 HAL2 3912 0 0 0 0.09 3916 3914 H62 SLES 1 10.2505 -40.9715 26.6654 HAL2 3912 0 0 0 0.09 3917 3915 C7 SLES 1 10.9249 -39.6553 28.2888 CTL2 3912 3916 3917 3918 -0.18 3918 3916 H71 SLES 1 10.7925 -39.4554 29.3784 HAL2 3915 0 0 0 0.09 3919 3917 H72 SLES 1 12.0158 -39.6894 28.0617 HAL2 3915 0 0 0 0.09 3920 3918 C8 SLES 1 10.261 -38.5965 27.4853 CTL2 3915 3919 3920 3921 -0.18 3921 3919 H81 SLES 1 9.16711 -38.6369 27.7496 HAL2 3918 0 0 0 0.09 3922 3920 H82 SLES 1 10.4164 -38.8769 26.4047 HAL2 3918 0 0 0 0.09 3923 3921 C9 SLES 1 10.6788 -37.1737 27.6198 CTL2 3918 3922 3923 3924 -0.18 3924 3922 H91 SLES 1 10.5267 -36.8256 28.6659 HAL2 3921 0 0 0 0.09 3925 3923 H92 SLES 1 11.7519 -37.0607 27.3463 HAL2 3921 0 0 0 0.09 3926 3924 C10 SLES 1 9.72943 -36.5154 26.6208 CTL2 3921 3925 3926 3927 -0.18 3927 3925 H10 SLES 1 8.66447 -36.7274 26.9092 HAL2 3924 0 0 0 0.09 3928 3926 H10 SLES 1 9.88085 -36.9605 25.5998 HAL2 3924 0 0 0 0.09 3929 3927 C11 SLES 1 9.87435 -35.0339 26.4913 CTL2 3924 3928 3929 3930 -0.18 3930 3928 H11 SLES 1 9.70203 -34.5941 27.5013 HAL2 3927 0 0 0 0.09 3931 3929 H11 SLES 1 10.9261 -34.8287 26.1843 HAL2 3927 0 0 0 0.09 3932 3930 C12 SLES 1 8.86583 -34.5146 25.4627 CTL3 3927 3931 3932 3933 -0.27 3933 3931 H12 SLES 1 8.16624 -33.8032 25.9428 HAL3 3930 0 0 0 0.09 3934 3932 H12 SLES 1 9.39826 -34.0393 24.6159 HAL3 3930 0 0 0 0.09 3935 3933 H12 SLES 1 8.24109 -35.333 25.0276 HAL3 3930 0 0 0 0.09 3936 3934 NA SLES 1 29.8108 -47.8213 35.1922 NA 0 0 0 0 1 3937 3935 S SLES 1 27.2581 -48.6686 33.7994 SL 3936 3937 3938 3939 1.33 3938 3936 OS1 SLES 1 27.3198 -47.208 33.6197 OSL 3935 3940 0 0 -0.28 3939 3937 OS2 SLES 1 27.3228 -48.523 35.2365 O2L 3935 0 0 0 -0.65 3940 3938 OS3 SLES 1 28.5342 -48.8332 33.1423 O2L 3935 0 0 0 -0.65 3941 3939 OS4 SLES 1 26.0485 -49.1145 33.167 O2L 3935 0 0 0 -0.65 3942 3940 C2 SLES 1 26.4375 -46.403 32.9455 CC32A 3936 3941 3942 3943 -0.11 3943 3941 H2A SLES 1 25.4133 -46.4687 33.3987 HCA2 3940 0 0 0 0.09 3944 3942 H2B SLES 1 26.39 -46.6817 31.8593 HCA2 3940 0 0 0 0.09 3945 3943 C1 SLES 1 27.0577 -45.0037 33.148 CC32A 3940 3944 3945 3946 -0.01 3946 3944 H1B SLES 1 27.1294 -44.7511 34.2377 HCA2 3943 0 0 0 0.09 3947 3945 H1A SLES 1 28.0807 -44.9533 32.7008 HCA2 3943 0 0 0 0.09 3948 3946 O1 SLES 1 26.4155 -43.9013 32.5945 OC30A 3943 3947 0 0 -0.34 3949 3947 C2 SLES 1 25.2083 -44.1207 31.8878 CC32A 3946 3948 3949 3950 -0.01 3950 3948 H2A SLES 1 24.4386 -44.595 32.5616 HCA2 3947 0 0 0 0.09 3951 3949 H2B SLES 1 25.3689 -44.7901 31.0105 HCA2 3947 0 0 0 0.09 3952 3950 C1 SLES 1 25.085 -42.5573 31.7814 CC32A 3947 3951 3952 3953 -0.01 3953 3951 H1B SLES 1 24.1398 -42.5875 32.3395 HCA2 3950 0 0 0 0.09 3954 3952 H1A SLES 1 25.2129 -42.8129 30.6675 HCA2 3950 0 0 0 0.09 3955 3953 O1 SLES 1 24.8746 -41.2847 31.2263 OC30A 3950 3954 0 0 -0.34 3956 3954 C1 SLES 1 23.6377 -41.0338 30.5744 CTL2 3953 3955 3956 3957 -0.18 3957 3955 H11 SLES 1 22.7124 -41.3542 31.1298 HAL2 3954 0 0 0 0.09 3958 3956 H12 SLES 1 23.6129 -41.5402 29.5767 HAL2 3954 0 0 0 0.09 3959 3957 C2 SLES 1 23.7292 -39.5133 30.4538 CTL2 3954 3958 3959 3960 -0.18 3960 3958 H21 SLES 1 23.6955 -38.9858 31.4373 HAL2 3957 0 0 0 0.09 3961 3959 H22 SLES 1 24.6312 -39.1719 29.8897 HAL2 3957 0 0 0 0.09 3962 3960 C3 SLES 1 22.5223 -39.1706 29.6778 CTL2 3957 3961 3962 3963 -0.18 3963 3961 H31 SLES 1 21.6639 -39.5433 30.3005 HAL2 3960 0 0 0 0.09 3964 3962 H32 SLES 1 22.627 -39.7398 28.713 HAL2 3960 0 0 0 0.09 3965 3963 C4 SLES 1 22.2119 -37.7558 29.3106 CTL2 3960 3964 3965 3966 -0.18 3966 3964 H41 SLES 1 22.0876 -37.1171 30.2197 HAL2 3963 0 0 0 0.09 3967 3965 H42 SLES 1 23.0207 -37.3109 28.6847 HAL2 3963 0 0 0 0.09 3968 3966 C5 SLES 1 20.9049 -38.0137 28.5488 CTL2 3963 3967 3968 3969 -0.18 3969 3967 H51 SLES 1 20.1586 -38.5285 29.2106 HAL2 3966 0 0 0 0.09 3970 3968 H52 SLES 1 21.0809 -38.7187 27.6941 HAL2 3966 0 0 0 0.09 3971 3969 C6 SLES 1 20.2186 -36.8456 27.9849 CTL2 3966 3970 3971 3972 -0.18 3972 3970 H61 SLES 1 19.1774 -36.859 28.4074 HAL2 3969 0 0 0 0.09 3973 3971 H62 SLES 1 20.1022 -37.0494 26.8866 HAL2 3969 0 0 0 0.09 3974 3972 C7 SLES 1 20.8756 -35.4788 28.2124 CTL2 3969 3973 3974 3975 -0.18 3975 3973 H71 SLES 1 20.9467 -35.1829 29.2857 HAL2 3972 0 0 0 0.09 3976 3974 H72 SLES 1 21.8828 -35.3759 27.7459 HAL2 3972 0 0 0 0.09 3977 3975 C8 SLES 1 19.8871 -34.6238 27.5056 CTL2 3972 3976 3977 3978 -0.18 3978 3976 H81 SLES 1 18.8975 -34.7964 28.0145 HAL2 3975 0 0 0 0.09 3979 3977 H82 SLES 1 19.8536 -34.9944 26.4417 HAL2 3975 0 0 0 0.09 3980 3978 C9 SLES 1 20.0783 -33.1489 27.4364 CTL2 3975 3979 3980 3981 -0.18 3981 3979 H91 SLES 1 20.0963 -32.7149 28.4612 HAL2 3978 0 0 0 0.09 3982 3980 H92 SLES 1 21.0338 -32.909 26.9181 HAL2 3978 0 0 0 0.09 3983 3981 C10 SLES 1 18.8409 -32.7511 26.6344 CTL2 3978 3982 3983 3984 -0.18 3984 3982 H10 SLES 1 17.9131 -33.0854 27.1727 HAL2 3981 0 0 0 0.09 3985 3983 H10 SLES 1 18.844 -33.2776 25.6413 HAL2 3981 0 0 0 0.09 3986 3984 C11 SLES 1 18.7033 -31.2875 26.3668 CTL2 3981 3985 3986 3987 -0.18 3987 3985 H11 SLES 1 18.6787 -30.7705 27.3542 HAL2 3984 0 0 0 0.09 3988 3986 H11 SLES 1 19.6155 -30.9638 25.814 HAL2 3984 0 0 0 0.09 3989 3987 C12 SLES 1 17.4261 -31.0384 25.5596 CTL3 3984 3988 3989 3990 -0.27 3990 3988 H12 SLES 1 16.7353 -30.3901 26.1329 HAL3 3987 0 0 0 0.09 3991 3989 H12 SLES 1 17.678 -30.5848 24.5813 HAL3 3987 0 0 0 0.09 3992 3990 H12 SLES 1 16.8699 -31.9827 25.3397 HAL3 3987 0 0 0 0.09 3993 3991 NA SLES 1 41.4131 -38.517 34.7112 NA 0 0 0 0 1 3994 3992 S SLES 1 38.8381 -39.9357 33.9823 SL 3993 3994 3995 3996 1.33 3995 3993 OS1 SLES 1 38.6146 -38.5295 33.6056 OSL 3992 3997 0 0 -0.28 3996 3994 OS2 SLES 1 39.131 -39.5534 35.3457 O2L 3992 0 0 0 -0.65 3997 3995 OS3 SLES 1 39.9863 -40.0181 33.1092 O2L 3992 0 0 0 -0.65 3998 3996 OS4 SLES 1 37.6306 -40.6469 33.6695 O2L 3992 0 0 0 -0.65 3999 3997 C2 SLES 1 37.5014 -37.9787 33.0237 CC32A 3993 3998 3999 4000 -0.11 4000 3998 H2A SLES 1 36.6008 -38.1176 33.6783 HCA2 3997 0 0 0 0.09 4001 3999 H2B SLES 1 37.3104 -38.4321 32.015 HCA2 3997 0 0 0 0.09 4002 4000 C1 SLES 1 37.8974 -36.4905 32.9138 CC32A 3997 4001 4002 4003 -0.01 4003 4001 H1B SLES 1 38.117 -36.0585 33.9245 HCA2 4000 0 0 0 0.09 4004 4002 H1A SLES 1 38.8006 -36.3658 32.2674 HCA2 4000 0 0 0 0.09 4005 4003 O1 SLES 1 36.9871 -35.5954 32.3622 OC30A 4000 4004 0 0 -0.34 4006 4004 C2 SLES 1 35.7297 -36.0971 31.9473 CC32A 4003 4005 4006 4007 -0.01 4007 4005 H2A SLES 1 35.1852 -36.5629 32.8179 HCA2 4004 0 0 0 0.09 4008 4006 H2B SLES 1 35.8447 -36.8684 31.1502 HCA2 4004 0 0 0 0.09 4009 4007 C1 SLES 1 35.3222 -34.6053 31.6655 CC32A 4004 4008 4009 4010 -0.01 4010 4008 H1B SLES 1 34.5107 -34.6813 32.4013 HCA2 4007 0 0 0 0.09 4011 4009 H1A SLES 1 35.2923 -35.0153 30.5916 HCA2 4007 0 0 0 0.09 4012 4010 O1 SLES 1 34.8007 -33.4821 31.0034 OC30A 4007 4011 0 0 -0.34 4013 4011 C1 SLES 1 33.4432 -33.5199 30.5866 CTL2 4010 4012 4013 4014 -0.18 4014 4012 H11 SLES 1 32.7004 -33.8769 31.3535 HAL2 4011 0 0 0 0.09 4015 4013 H12 SLES 1 33.3292 -34.1782 29.6888 HAL2 4011 0 0 0 0.09 4016 4014 C2 SLES 1 33.2488 -32.0414 30.2535 CTL2 4011 4015 4016 4017 -0.18 4017 4015 H21 SLES 1 33.3 -31.3733 31.1466 HAL2 4014 0 0 0 0.09 4018 4016 H22 SLES 1 33.9638 -31.6687 29.48 HAL2 4014 0 0 0 0.09 4019 4017 C3 SLES 1 31.8825 -32.0052 29.6982 CTL2 4014 4018 4019 4020 -0.18 4020 4018 H31 SLES 1 31.2256 -32.3929 30.5237 HAL2 4017 0 0 0 0.09 4021 4019 H32 SLES 1 31.9106 -32.7008 28.8144 HAL2 4017 0 0 0 0.09 4022 4020 C4 SLES 1 31.273 -30.7274 29.2201 CTL2 4017 4021 4022 4023 -0.18 4023 4021 H41 SLES 1 31.204 -29.9757 30.0447 HAL2 4020 0 0 0 0.09 4024 4022 H42 SLES 1 31.8689 -30.277 28.392 HAL2 4020 0 0 0 0.09 4025 4023 C5 SLES 1 29.9157 -31.2898 28.7767 CTL2 4020 4024 4025 4026 -0.18 4026 4024 H51 SLES 1 29.3988 -31.7938 29.6363 HAL2 4023 0 0 0 0.09 4027 4025 H52 SLES 1 30.0558 -32.0901 28.0031 HAL2 4023 0 0 0 0.09 4028 4026 C6 SLES 1 28.9496 -30.3386 28.2154 CTL2 4023 4027 4028 4029 -0.18 4029 4027 H61 SLES 1 28.018 -30.4338 28.8368 HAL2 4026 0 0 0 0.09 4030 4028 H62 SLES 1 28.6768 -30.7307 27.199 HAL2 4026 0 0 0 0.09 4031 4029 C7 SLES 1 29.3912 -28.8728 28.1265 CTL2 4026 4030 4031 4032 -0.18 4032 4030 H71 SLES 1 29.5998 -28.4013 29.1159 HAL2 4029 0 0 0 0.09 4033 4031 H72 SLES 1 30.2665 -28.7021 27.4577 HAL2 4029 0 0 0 0.09 4034 4032 C8 SLES 1 28.1608 -28.2938 27.5279 CTL2 4029 4033 4034 4035 -0.18 4035 4033 H81 SLES 1 27.322 -28.5232 28.2434 HAL2 4032 0 0 0 0.09 4036 4034 H82 SLES 1 28.0031 -28.8314 26.5498 HAL2 4032 0 0 0 0.09 4037 4035 C9 SLES 1 28.0798 -26.8372 27.2306 CTL2 4032 4036 4037 4038 -0.18 4038 4036 H91 SLES 1 28.2045 -26.2463 28.1655 HAL2 4035 0 0 0 0.09 4039 4037 H92 SLES 1 28.8722 -26.5486 26.504 HAL2 4035 0 0 0 0.09 4040 4038 C10 SLES 1 26.6699 -26.7558 26.6489 CTL2 4035 4039 4040 4041 -0.18 4041 4039 H10 SLES 1 25.9241 -27.1294 27.4015 HAL2 4038 0 0 0 0.09 4042 4040 H10 SLES 1 26.5872 -27.4289 25.7526 HAL2 4038 0 0 0 0.09 4043 4041 C11 SLES 1 26.2372 -25.3895 26.2265 CTL2 4038 4042 4043 4044 -0.18 4044 4042 H11 SLES 1 26.2997 -24.7296 27.123 HAL2 4041 0 0 0 0.09 4045 4043 H11 SLES 1 26.9671 -25.0307 25.4643 HAL2 4041 0 0 0 0.09 4046 4044 C12 SLES 1 24.8134 -25.4598 25.6673 CTL3 4041 4045 4046 4047 -0.27 4047 4045 H12 SLES 1 24.1343 -24.8342 26.2784 HAL3 4044 0 0 0 0.09 4048 4046 H12 SLES 1 24.8056 -25.1377 24.6077 HAL3 4044 0 0 0 0.09 4049 4047 H12 SLES 1 24.398 -26.4973 25.6883 HAL3 4044 0 0 0 0.09 4050 4048 NA SLES 1 50.1507 -26.5875 34.2128 NA 0 0 0 0 1 4051 4049 S SLES 1 47.7858 -28.4796 34.1705 SL 4050 4051 4052 4053 1.33 4052 4050 OS1 SLES 1 47.2766 -27.225 33.5909 OSL 4049 4054 0 0 -0.28 4053 4051 OS2 SLES 1 48.1832 -27.7929 35.3793 O2L 4049 0 0 0 -0.65 4054 4052 OS3 SLES 1 48.8076 -28.5697 33.1531 O2L 4049 0 0 0 -0.65 4055 4053 OS4 SLES 1 46.6885 -29.4056 34.187 O2L 4049 0 0 0 -0.65 4056 4054 C2 SLES 1 46.0191 -26.9687 33.1068 CC32A 4050 4055 4056 4057 -0.11 4057 4055 H2A SLES 1 45.2487 -27.1014 33.9117 HCA2 4054 0 0 0 0.09 4058 4056 H2B SLES 1 45.7795 -27.6383 32.2387 HCA2 4054 0 0 0 0.09 4059 4057 C1 SLES 1 46.1353 -25.4918 32.6723 CC32A 4054 4058 4059 4060 -0.01 4060 4058 H1B SLES 1 46.4067 -24.8384 33.5416 HCA2 4057 0 0 0 0.09 4061 4059 H1A SLES 1 46.9117 -25.3708 31.8774 HCA2 4057 0 0 0 0.09 4062 4060 O1 SLES 1 45.0206 -24.8666 32.1239 OC30A 4057 4061 0 0 -0.34 4063 4061 C2 SLES 1 43.8253 -25.6172 32.012 CC32A 4060 4062 4063 4064 -0.01 4064 4062 H2A SLES 1 43.4869 -25.9719 33.0275 HCA2 4061 0 0 0 0.09 4065 4063 H2B SLES 1 43.9667 -26.5082 31.3566 HCA2 4061 0 0 0 0.09 4066 4064 C1 SLES 1 43.1339 -24.2871 31.539 CC32A 4061 4065 4066 4067 -0.01 4067 4065 H1B SLES 1 42.4503 -24.3297 32.3971 HCA2 4064 0 0 0 0.09 4068 4066 H1A SLES 1 43.0357 -24.9046 30.5738 HCA2 4064 0 0 0 0.09 4069 4067 O1 SLES 1 42.3453 -23.407 30.7804 OC30A 4064 4068 0 0 -0.34 4070 4068 C1 SLES 1 40.9721 -23.723 30.6004 CTL2 4067 4069 4070 4071 -0.18 4071 4069 H11 SLES 1 40.408 -24.0217 31.5276 HAL2 4068 0 0 0 0.09 4072 4070 H12 SLES 1 40.8574 -24.5578 29.8638 HAL2 4068 0 0 0 0.09 4073 4071 C2 SLES 1 40.4844 -22.3854 30.0455 CTL2 4068 4072 4073 4074 -0.18 4074 4072 H21 SLES 1 40.5355 -21.5511 30.7858 HAL2 4071 0 0 0 0.09 4075 4073 H22 SLES 1 41.0179 -22.0768 29.1136 HAL2 4071 0 0 0 0.09 4076 4074 C3 SLES 1 39.0719 -22.6589 29.7193 CTL2 4071 4075 4076 4077 -0.18 4077 4075 H31 SLES 1 38.6045 -22.9631 30.6952 HAL2 4074 0 0 0 0.09 4078 4076 H32 SLES 1 39.1042 -23.5065 28.9803 HAL2 4074 0 0 0 0.09 4079 4077 C4 SLES 1 38.1946 -21.6046 29.1261 CTL2 4074 4078 4079 4080 -0.18 4080 4078 H41 SLES 1 38.1051 -20.7204 29.8043 HAL2 4077 0 0 0 0.09 4081 4079 H42 SLES 1 38.5913 -21.2489 28.1464 HAL2 4077 0 0 0 0.09 4082 4080 C5 SLES 1 36.9085 -22.4343 29.0134 CTL2 4077 4081 4082 4083 -0.18 4083 4081 H51 SLES 1 36.6022 -22.8242 30.0205 HAL2 4080 0 0 0 0.09 4084 4082 H52 SLES 1 37.0824 -23.345 28.382 HAL2 4080 0 0 0 0.09 4085 4083 C6 SLES 1 35.7284 -21.7647 28.4547 CTL2 4080 4084 4085 4086 -0.18 4086 4084 H61 SLES 1 34.9159 -21.8661 29.2244 HAL2 4083 0 0 0 0.09 4087 4085 H62 SLES 1 35.3974 -22.3882 27.5812 HAL2 4083 0 0 0 0.09 4088 4086 C7 SLES 1 35.8957 -20.2986 28.0371 CTL2 4083 4087 4088 4089 -0.18 4089 4087 H71 SLES 1 36.1469 -19.6128 28.8804 HAL2 4086 0 0 0 0.09 4090 4088 H72 SLES 1 36.6341 -20.1416 27.2168 HAL2 4086 0 0 0 0.09 4091 4089 C8 SLES 1 34.5168 -20.0352 27.5506 CTL2 4086 4090 4091 4092 -0.18 4092 4090 H81 SLES 1 33.8302 -20.2345 28.4207 HAL2 4089 0 0 0 0.09 4093 4091 H82 SLES 1 34.3283 -20.7754 26.7218 HAL2 4089 0 0 0 0.09 4094 4092 C9 SLES 1 34.1483 -18.6953 27.0162 CTL2 4089 4093 4094 4095 -0.18 4095 4093 H91 SLES 1 34.2899 -17.9169 27.799 HAL2 4092 0 0 0 0.09 4096 4094 H92 SLES 1 34.778 -18.4476 26.1323 HAL2 4092 0 0 0 0.09 4097 4095 C10 SLES 1 32.682 -18.9364 26.6634 CTL2 4092 4096 4097 4098 -0.18 4098 4096 H10 SLES 1 32.1159 -19.2546 27.5802 HAL2 4095 0 0 0 0.09 4099 4097 H10 SLES 1 32.6006 -19.7808 25.926 HAL2 4095 0 0 0 0.09 4100 4098 C11 SLES 1 31.9694 -17.7598 26.0801 CTL2 4095 4099 4100 4101 -0.18 4101 4099 H11 SLES 1 32.0333 -16.9312 26.8233 HAL2 4098 0 0 0 0.09 4102 4100 H11 SLES 1 32.5213 -17.4604 25.1591 HAL2 4098 0 0 0 0.09 4103 4101 C12 SLES 1 30.5185 -18.1455 25.7782 CTL3 4098 4102 4103 4104 -0.27 4104 4102 H12 SLES 1 29.8271 -17.5143 26.3696 HAL3 4101 0 0 0 0.09 4105 4103 H12 SLES 1 30.3177 -18.0475 24.6935 HAL3 4101 0 0 0 0.09 4106 4104 H12 SLES 1 30.2942 -19.2064 26.0496 HAL3 4101 0 0 0 0.09 4107 4105 NA SLES 1 55.4804 -12.8863 33.7309 NA 0 0 0 0 1 4108 4106 S SLES 1 53.4712 -15.0664 34.3511 SL 4107 4108 4109 4110 1.33 4109 4107 OS1 SLES 1 52.7168 -14.0663 33.5766 OSL 4106 4111 0 0 -0.28 4110 4108 OS2 SLES 1 53.8352 -14.0714 35.3351 O2L 4106 0 0 0 -0.65 4111 4109 OS3 SLES 1 54.416 -15.2339 33.271 O2L 4106 0 0 0 -0.65 4112 4110 OS4 SLES 1 52.5497 -16.116 34.6842 O2L 4106 0 0 0 -0.65 4113 4111 C2 SLES 1 51.402 -14.1158 33.1892 CC32A 4107 4112 4113 4114 -0.11 4114 4112 H2A SLES 1 50.7262 -14.174 34.083 HCA2 4111 0 0 0 0.09 4115 4113 H2B SLES 1 51.2154 -14.9935 32.5151 HCA2 4111 0 0 0 0.09 4116 4114 C1 SLES 1 51.2356 -12.7763 32.4398 CC32A 4111 4115 4116 4117 -0.01 4117 4115 H1B SLES 1 51.4563 -11.9093 33.115 HCA2 4114 0 0 0 0.09 4118 4116 H1A SLES 1 51.92 -12.7262 31.5576 HCA2 4114 0 0 0 0.09 4119 4117 O1 SLES 1 49.9943 -12.4642 31.8958 OC30A 4114 4118 0 0 -0.34 4120 4118 C2 SLES 1 48.9374 -13.3888 32.0776 CC32A 4117 4119 4120 4121 -0.01 4121 4119 H2A SLES 1 48.7393 -13.5489 33.176 HCA2 4118 0 0 0 0.09 4122 4120 H2B SLES 1 49.1784 -14.3748 31.6157 HCA2 4118 0 0 0 0.09 4123 4121 C1 SLES 1 47.9991 -12.3187 31.4103 CC32A 4118 4122 4123 4124 -0.01 4124 4122 H1B SLES 1 47.3974 -12.2652 32.3272 HCA2 4121 0 0 0 0.09 4125 4123 H1A SLES 1 47.9356 -13.1474 30.6156 HCA2 4121 0 0 0 0.09 4126 4124 O1 SLES 1 47.0199 -11.7611 30.5723 OC30A 4121 4125 0 0 -0.34 4127 4125 C1 SLES 1 45.7101 -12.3092 30.6147 CTL2 4124 4126 4127 4128 -0.18 4128 4126 H11 SLES 1 45.2741 -12.4688 31.6402 HAL2 4125 0 0 0 0.09 4129 4127 H12 SLES 1 45.6837 -13.2974 30.09 HAL2 4125 0 0 0 0.09 4130 4128 C2 SLES 1 44.9647 -11.2204 29.8442 CTL2 4125 4129 4130 4131 -0.18 4131 4129 H21 SLES 1 44.9289 -10.2413 30.3795 HAL2 4128 0 0 0 0.09 4132 4130 H22 SLES 1 45.3686 -11.0569 28.8153 HAL2 4128 0 0 0 0.09 4133 4131 C3 SLES 1 43.5983 -11.7667 29.7399 CTL2 4128 4132 4133 4134 -0.18 4134 4132 H31 SLES 1 43.2618 -11.9062 30.8032 HAL2 4131 0 0 0 0.09 4135 4133 H32 SLES 1 43.7184 -12.7461 29.1994 HAL2 4131 0 0 0 0.09 4136 4134 C4 SLES 1 42.5148 -11.0169 29.035 CTL2 4131 4135 4136 4137 -0.18 4137 4135 H41 SLES 1 42.3278 -10.0246 29.5148 HAL2 4134 0 0 0 0.09 4138 4136 H42 SLES 1 42.7729 -10.8392 27.9646 HAL2 4134 0 0 0 0.09 4139 4137 C5 SLES 1 41.382 -12.0312 29.2427 CTL2 4134 4138 4139 4140 -0.18 4140 4138 H51 SLES 1 41.2206 -12.2222 30.337 HAL2 4137 0 0 0 0.09 4141 4139 H52 SLES 1 41.6599 -13.0258 28.8047 HAL2 4137 0 0 0 0.09 4142 4140 C6 SLES 1 40.0682 -11.6885 28.6863 CTL2 4137 4141 4142 4143 -0.18 4143 4141 H61 SLES 1 39.3432 -11.7308 29.5439 HAL2 4140 0 0 0 0.09 4144 4142 H62 SLES 1 39.7836 -12.5365 28.0072 HAL2 4140 0 0 0 0.09 4145 4143 C7 SLES 1 39.9551 -10.348 27.9502 CTL2 4140 4144 4145 4146 -0.18 4146 4144 H71 SLES 1 40.1485 -9.45865 28.5954 HAL2 4143 0 0 0 0.09 4147 4145 H72 SLES 1 40.5942 -10.2746 27.0397 HAL2 4143 0 0 0 0.09 4148 4146 C8 SLES 1 38.5195 -10.4091 27.5722 CTL2 4143 4147 4148 4149 -0.18 4149 4147 H81 SLES 1 37.9422 -10.5041 28.5344 HAL2 4146 0 0 0 0.09 4150 4148 H82 SLES 1 38.3979 -11.3382 26.9458 HAL2 4146 0 0 0 0.09 4151 4149 C9 SLES 1 37.8924 -9.29576 26.808 CTL2 4146 4150 4151 4152 -0.18 4152 4150 H91 SLES 1 37.9581 -8.34732 27.3867 HAL2 4149 0 0 0 0.09 4153 4151 H92 SLES 1 38.4047 -9.16569 25.8283 HAL2 4149 0 0 0 0.09 4154 4152 C10 SLES 1 36.4658 -9.82495 26.6769 CTL2 4149 4153 4154 4155 -0.18 4155 4153 H10 SLES 1 36.0303 -10.0059 27.6966 HAL2 4152 0 0 0 0.09 4156 4154 H10 SLES 1 36.4737 -10.8177 26.1497 HAL2 4152 0 0 0 0.09 4157 4155 C11 SLES 1 35.5242 -8.93086 25.9375 CTL2 4152 4156 4157 4158 -0.18 4158 4156 H11 SLES 1 35.5022 -7.95459 26.4756 HAL2 4155 0 0 0 0.09 4159 4157 H11 SLES 1 35.9486 -8.77089 24.9193 HAL2 4155 0 0 0 0.09 4160 4158 C12 SLES 1 34.1408 -9.58525 25.885 CTL3 4155 4159 4160 4161 -0.27 4161 4159 H12 SLES 1 33.3984 -8.94521 26.4 HAL3 4158 0 0 0 0.09 4162 4160 H12 SLES 1 33.8472 -9.76779 24.8328 HAL3 4158 0 0 0 0.09 4163 4161 H12 SLES 1 34.1189 -10.5776 26.399 HAL3 4158 0 0 0 0.09 4164 4162 NA SLES 1 60.9298 1.64418 17.7589 NA 0 0 0 0 1 4165 4163 S SLES 1 59.677 -0.607557 19.3508 SL 4164 4165 4166 4167 1.33 4166 4164 OS1 SLES 1 58.5471 0.0495181 18.6719 OSL 4163 4168 0 0 -0.28 4167 4165 OS2 SLES 1 60.0619 0.637759 19.9766 O2L 4163 0 0 0 -0.65 4168 4166 OS3 SLES 1 60.3175 -0.880562 18.0849 O2L 4163 0 0 0 -0.65 4169 4167 OS4 SLES 1 59.1259 -1.67631 20.1356 O2L 4163 0 0 0 -0.65 4170 4168 C2 SLES 1 57.2199 -0.293442 18.7185 CC32A 4164 4169 4170 4171 -0.11 4171 4169 H2A SLES 1 56.8322 -0.239842 19.7701 HCA2 4168 0 0 0 0.09 4172 4170 H2B SLES 1 57.0576 -1.32482 18.3069 HCA2 4168 0 0 0 0.09 4173 4171 C1 SLES 1 56.5759 0.785828 17.8219 CC32A 4168 4172 4173 4174 -0.01 4174 4172 H1B SLES 1 56.7728 1.81251 18.2263 HCA2 4171 0 0 0 0.09 4175 4173 H1A SLES 1 56.9765 0.728524 16.7801 HCA2 4171 0 0 0 0.09 4176 4174 O1 SLES 1 55.1982 0.763312 17.6332 OC30A 4171 4175 0 0 -0.34 4177 4175 C2 SLES 1 54.453 -0.242648 18.2946 CC32A 4174 4176 4177 4178 -0.01 4178 4176 H2A SLES 1 54.5902 -0.164001 19.4111 HCA2 4175 0 0 0 0.09 4179 4177 H2B SLES 1 54.7719 -1.26114 17.9713 HCA2 4175 0 0 0 0.09 4180 4178 C1 SLES 1 53.1633 0.478817 17.759 CC32A 4175 4179 4180 4181 -0.01 4181 4179 H1B SLES 1 52.8271 0.65649 18.789 HCA2 4178 0 0 0 0.09 4182 4180 H1A SLES 1 53.0744 -0.515444 17.188 HCA2 4178 0 0 0 0.09 4183 4181 O1 SLES 1 51.9014 0.661847 17.1705 OC30A 4178 4182 0 0 -0.34 4184 4182 C1 SLES 1 50.8001 -0.0556061 17.7093 CTL2 4181 4183 4184 4185 -0.18 4185 4183 H11 SLES 1 50.6944 -0.0306716 18.8297 HAL2 4182 0 0 0 0.09 4186 4184 H12 SLES 1 50.8517 -1.13244 17.4088 HAL2 4182 0 0 0 0.09 4187 4185 C2 SLES 1 49.6606 0.688909 17.015 CTL2 4182 4186 4187 4188 -0.18 4188 4186 H21 SLES 1 49.5553 1.75006 17.3459 HAL2 4185 0 0 0 0.09 4189 4187 H22 SLES 1 49.7343 0.661981 15.9004 HAL2 4185 0 0 0 0.09 4190 4188 C3 SLES 1 48.4671 -0.0705721 17.4334 CTL2 4185 4189 4190 4191 -0.18 4191 4189 H31 SLES 1 48.4606 -0.00200562 18.5553 HAL2 4188 0 0 0 0.09 4192 4190 H32 SLES 1 48.6503 -1.1202 17.0721 HAL2 4188 0 0 0 0.09 4193 4191 C4 SLES 1 47.1005 0.312422 16.9657 CTL2 4188 4192 4193 4194 -0.18 4194 4192 H41 SLES 1 46.8356 1.34952 17.2882 HAL2 4191 0 0 0 0.09 4195 4193 H42 SLES 1 47.0231 0.266707 15.854 HAL2 4191 0 0 0 0.09 4196 4194 C5 SLES 1 46.3102 -0.785032 17.691 CTL2 4191 4195 4196 4197 -0.18 4197 4195 H51 SLES 1 46.4876 -0.731426 18.7981 HAL2 4194 0 0 0 0.09 4198 4196 H52 SLES 1 46.672 -1.8004 17.3804 HAL2 4194 0 0 0 0.09 4199 4197 C6 SLES 1 44.8543 -0.792326 17.5071 CTL2 4194 4198 4199 4200 -0.18 4200 4198 H61 SLES 1 44.4075 -0.739757 18.5369 HAL2 4197 0 0 0 0.09 4201 4199 H62 SLES 1 44.5923 -1.81162 17.1151 HAL2 4197 0 0 0 0.09 4202 4200 C7 SLES 1 44.2638 0.29928 16.6065 CTL2 4197 4201 4202 4203 -0.18 4203 4201 H71 SLES 1 44.4223 1.33595 16.987 HAL2 4200 0 0 0 0.09 4204 4202 H72 SLES 1 44.6093 0.250531 15.5477 HAL2 4200 0 0 0 0.09 4205 4203 C8 SLES 1 42.828 -0.0712677 16.7007 CTL2 4200 4204 4205 4206 -0.18 4206 4204 H81 SLES 1 42.5588 -0.0213796 17.7931 HAL2 4203 0 0 0 0.09 4207 4205 H82 SLES 1 42.7505 -1.13052 16.3233 HAL2 4203 0 0 0 0.09 4208 4206 C9 SLES 1 41.796 0.716524 15.9719 CTL2 4203 4207 4208 4209 -0.18 4209 4207 H91 SLES 1 41.8042 1.77424 16.3181 HAL2 4206 0 0 0 0.09 4210 4208 H92 SLES 1 41.9918 0.685989 14.8765 HAL2 4206 0 0 0 0.09 4211 4209 C10 SLES 1 40.5351 -0.0423176 16.3804 CTL2 4206 4210 4211 4212 -0.18 4212 4210 H10 SLES 1 40.4331 -0.0391775 17.4993 HAL2 4209 0 0 0 0.09 4213 4211 H10 SLES 1 40.6193 -1.11881 16.0681 HAL2 4209 0 0 0 0.09 4214 4212 C11 SLES 1 39.2616 0.492708 15.8108 CTL2 4209 4213 4214 4215 -0.18 4215 4213 H11 SLES 1 39.1706 1.55386 16.1406 HAL2 4212 0 0 0 0.09 4216 4214 H11 SLES 1 39.3582 0.468091 14.7006 HAL2 4212 0 0 0 0.09 4217 4215 C12 SLES 1 38.0892 -0.360704 16.3027 CTL3 4212 4216 4217 4218 -0.27 4218 4216 H12 SLES 1 37.3878 0.261463 16.8918 HAL3 4215 0 0 0 0.09 4219 4217 H12 SLES 1 37.5761 -0.832578 15.4421 HAL3 4215 0 0 0 0.09 4220 4218 H12 SLES 1 38.419 -1.19245 16.9726 HAL3 4215 0 0 0 0.09 4221 4219 NA SLES 1 58.7437 16.4056 17.3925 NA 0 0 0 0 1 4222 4220 S SLES 1 57.901 14.3847 19.4854 SL 4221 4222 4223 4224 1.33 4223 4221 OS1 SLES 1 56.6994 14.5983 18.6608 OSL 4220 4225 0 0 -0.28 4224 4222 OS2 SLES 1 57.9801 15.7967 19.7864 O2L 4220 0 0 0 -0.65 4225 4223 OS3 SLES 1 58.656 13.9618 18.3285 O2L 4220 0 0 0 -0.65 4226 4224 OS4 SLES 1 57.5418 13.442 20.5072 O2L 4220 0 0 0 -0.65 4227 4225 C2 SLES 1 55.4731 13.9968 18.7852 CC32A 4221 4226 4227 4228 -0.11 4228 4226 H2A SLES 1 55.0231 14.2155 19.7894 HCA2 4225 0 0 0 0.09 4229 4227 H2B SLES 1 55.5543 12.8869 18.6398 HCA2 4225 0 0 0 0.09 4230 4228 C1 SLES 1 54.6698 14.6632 17.6475 CC32A 4225 4229 4230 4231 -0.01 4231 4229 H1B SLES 1 54.6238 15.7744 17.787 HCA2 4228 0 0 0 0.09 4232 4230 H1A SLES 1 55.1326 14.4461 16.6536 HCA2 4228 0 0 0 0.09 4233 4231 O1 SLES 1 53.3405 14.2975 17.4645 OC30A 4228 4232 0 0 -0.34 4234 4232 C2 SLES 1 52.7859 13.3425 18.3506 CC32A 4231 4233 4234 4235 -0.01 4235 4233 H2A SLES 1 52.8393 13.7144 19.4137 HCA2 4232 0 0 0 0.09 4236 4234 H2B SLES 1 53.329 12.3705 18.2897 HCA2 4232 0 0 0 0.09 4237 4235 C1 SLES 1 51.4065 13.6166 17.6483 CC32A 4232 4236 4237 4238 -0.01 4238 4236 H1B SLES 1 50.982 13.9588 18.6014 HCA2 4235 0 0 0 0.09 4239 4237 H1A SLES 1 51.5608 12.5196 17.3398 HCA2 4235 0 0 0 0.09 4240 4238 O1 SLES 1 50.1703 13.3747 17.0278 OC30A 4235 4239 0 0 -0.34 4241 4239 C1 SLES 1 49.2146 12.586 17.7223 CTL2 4238 4240 4241 4242 -0.18 4242 4240 H11 SLES 1 49.0419 12.8553 18.8016 HAL2 4239 0 0 0 0.09 4243 4241 H12 SLES 1 49.5077 11.5062 17.6969 HAL2 4239 0 0 0 0.09 4244 4242 C2 SLES 1 47.9861 12.8765 16.8613 CTL2 4239 4243 4244 4245 -0.18 4245 4243 H21 SLES 1 47.6421 13.9371 16.9199 HAL2 4242 0 0 0 0.09 4246 4244 H22 SLES 1 48.1277 12.5998 15.7881 HAL2 4242 0 0 0 0.09 4247 4245 C3 SLES 1 46.9562 11.9991 17.4492 CTL2 4242 4246 4247 4248 -0.18 4248 4246 H31 SLES 1 46.8711 12.3316 18.5195 HAL2 4245 0 0 0 0.09 4249 4247 H32 SLES 1 47.3756 10.9591 17.3586 HAL2 4245 0 0 0 0.09 4250 4248 C4 SLES 1 45.5688 11.9526 16.8959 CTL2 4245 4249 4250 4251 -0.18 4251 4249 H41 SLES 1 45.0745 12.9538 16.9517 HAL2 4248 0 0 0 0.09 4252 4250 H42 SLES 1 45.5666 11.626 15.8296 HAL2 4248 0 0 0 0.09 4253 4251 C5 SLES 1 44.9856 10.9166 17.8662 CTL2 4248 4252 4253 4254 -0.18 4254 4252 H51 SLES 1 45.084 11.2713 18.9266 HAL2 4251 0 0 0 0.09 4255 4253 H52 SLES 1 45.5693 9.95986 17.817 HAL2 4251 0 0 0 0.09 4256 4254 C6 SLES 1 43.5766 10.5495 17.6839 CTL2 4251 4255 4256 4257 -0.18 4257 4255 H61 SLES 1 43.0703 10.7491 18.6671 HAL2 4254 0 0 0 0.09 4258 4256 H62 SLES 1 43.5567 9.43406 17.5542 HAL2 4254 0 0 0 0.09 4259 4257 C7 SLES 1 42.8231 11.2381 16.5395 CTL2 4254 4258 4259 4260 -0.18 4260 4258 H71 SLES 1 42.7389 12.3447 16.6533 HAL2 4257 0 0 0 0.09 4261 4259 H72 SLES 1 43.2313 11.0131 15.5269 HAL2 4257 0 0 0 0.09 4262 4260 C8 SLES 1 41.4938 10.5984 16.7164 CTL2 4257 4261 4262 4263 -0.18 4263 4261 H81 SLES 1 41.1579 10.8491 17.7616 HAL2 4260 0 0 0 0.09 4264 4262 H82 SLES 1 41.6617 9.48878 16.6115 HAL2 4260 0 0 0 0.09 4265 4263 C9 SLES 1 40.3633 10.945 15.8116 CTL2 4260 4264 4265 4266 -0.18 4266 4264 H91 SLES 1 40.1299 12.0306 15.8864 HAL2 4263 0 0 0 0.09 4267 4265 H92 SLES 1 40.6236 10.6959 14.7584 HAL2 4263 0 0 0 0.09 4268 4266 C10 SLES 1 39.268 10.0512 16.3895 CTL2 4263 4267 4268 4269 -0.18 4269 4267 H10 SLES 1 39.1035 10.3003 17.4726 HAL2 4266 0 0 0 0.09 4270 4268 H10 SLES 1 39.5935 8.97593 16.3526 HAL2 4266 0 0 0 0.09 4271 4269 C11 SLES 1 37.9455 10.1443 15.7004 CTL2 4266 4270 4271 4272 -0.18 4272 4270 H11 SLES 1 37.6155 11.2077 15.7579 HAL2 4269 0 0 0 0.09 4273 4271 H11 SLES 1 38.1086 9.87572 14.6309 HAL2 4269 0 0 0 0.09 4274 4272 C12 SLES 1 36.9515 9.20019 16.3827 CTL3 4269 4273 4274 4275 -0.27 4275 4273 H12 SLES 1 36.1028 9.77792 16.7974 HAL3 4272 0 0 0 0.09 4276 4274 H12 SLES 1 36.599 8.43591 15.663 HAL3 4272 0 0 0 0.09 4277 4275 H12 SLES 1 37.4092 8.64545 17.2384 HAL3 4272 0 0 0 0.09 4278 4276 NA SLES 1 53.0625 30.1273 17.1271 NA 0 0 0 0 1 4279 4277 S SLES 1 52.4115 28.4753 19.5809 SL 4278 4279 4280 4281 1.33 4280 4278 OS1 SLES 1 51.2948 28.2295 18.6526 OSL 4277 4282 0 0 -0.28 4281 4279 OS2 SLES 1 52.1675 29.8999 19.542 O2L 4277 0 0 0 -0.65 4282 4280 OS3 SLES 1 53.3648 27.9904 18.6096 O2L 4277 0 0 0 -0.65 4283 4281 OS4 SLES 1 52.1357 27.7222 20.772 O2L 4277 0 0 0 -0.65 4284 4282 C2 SLES 1 50.2099 27.4107 18.8362 CC32A 4278 4283 4284 4285 -0.11 4285 4283 H2A SLES 1 49.6122 27.7367 19.728 HCA2 4282 0 0 0 0.09 4286 4284 H2B SLES 1 50.5306 26.3429 18.9646 HCA2 4282 0 0 0 0.09 4287 4285 C1 SLES 1 49.4247 27.6159 17.5227 CC32A 4282 4286 4287 4288 -0.01 4288 4286 H1B SLES 1 49.1387 28.6915 17.3907 HCA2 4285 0 0 0 0.09 4289 4287 H1A SLES 1 50.0333 27.2965 16.6414 HCA2 4285 0 0 0 0.09 4290 4288 O1 SLES 1 48.2273 26.931 17.3456 OC30A 4285 4289 0 0 -0.34 4291 4289 C2 SLES 1 47.7794 26.0929 18.3952 CC32A 4288 4290 4291 4292 -0.01 4292 4290 H2A SLES 1 47.6335 26.6899 19.3406 HCA2 4289 0 0 0 0.09 4293 4291 H2B SLES 1 48.5117 25.2778 18.6028 HCA2 4289 0 0 0 0.09 4294 4292 C1 SLES 1 46.4635 25.8914 17.5595 CC32A 4289 4293 4294 4295 -0.01 4295 4293 H1B SLES 1 45.8715 26.3292 18.374 HCA2 4292 0 0 0 0.09 4296 4294 H1A SLES 1 46.8713 24.8166 17.5314 HCA2 4292 0 0 0 0.09 4297 4295 O1 SLES 1 45.3818 25.2496 16.9349 OC30A 4292 4296 0 0 -0.34 4298 4296 C1 SLES 1 44.5323 24.4378 17.7332 CTL2 4295 4297 4298 4299 -0.18 4299 4297 H11 SLES 1 44.1854 24.8904 18.7039 HAL2 4296 0 0 0 0.09 4300 4298 H12 SLES 1 45.0392 23.4722 17.9845 HAL2 4296 0 0 0 0.09 4301 4299 C2 SLES 1 43.378 24.2511 16.7495 CTL2 4296 4300 4301 4302 -0.18 4302 4300 H21 SLES 1 42.8218 25.1944 16.5317 HAL2 4299 0 0 0 0.09 4303 4301 H22 SLES 1 43.6954 23.7859 15.7845 HAL2 4299 0 0 0 0.09 4304 4302 C3 SLES 1 42.4866 23.3153 17.4607 CTL2 4299 4303 4304 4305 -0.18 4305 4303 H31 SLES 1 42.2131 23.8455 18.4133 HAL2 4302 0 0 0 0.09 4306 4304 H32 SLES 1 43.1157 22.4015 17.6477 HAL2 4302 0 0 0 0.09 4307 4305 C4 SLES 1 41.2106 22.84 16.8451 CTL2 4302 4306 4307 4308 -0.18 4308 4306 H41 SLES 1 40.5206 23.6925 16.6288 HAL2 4305 0 0 0 0.09 4309 4307 H42 SLES 1 41.3976 22.2967 15.8892 HAL2 4305 0 0 0 0.09 4310 4308 C5 SLES 1 40.7417 21.9367 17.9937 CTL2 4305 4309 4310 4311 -0.18 4311 4309 H51 SLES 1 40.6433 22.527 18.9435 HAL2 4308 0 0 0 0.09 4312 4310 H52 SLES 1 41.5089 21.1479 18.2116 HAL2 4308 0 0 0 0.09 4313 4311 C6 SLES 1 39.4669 21.2329 17.8124 CTL2 4308 4312 4313 4314 -0.18 4314 4312 H61 SLES 1 38.8208 21.5236 18.6847 HAL2 4311 0 0 0 0.09 4315 4313 H62 SLES 1 39.6887 20.1406 17.9507 HAL2 4311 0 0 0 0.09 4316 4314 C7 SLES 1 38.7265 21.4689 16.4904 CTL2 4311 4315 4316 4317 -0.18 4317 4315 H71 SLES 1 38.4072 22.5261 16.332 HAL2 4314 0 0 0 0.09 4318 4316 H72 SLES 1 39.2858 21.1258 15.5892 HAL2 4314 0 0 0 0.09 4319 4317 C8 SLES 1 37.5432 20.6022 16.7272 CTL2 4314 4318 4319 4320 -0.18 4320 4318 H81 SLES 1 37.0453 20.9931 17.6586 HAL2 4317 0 0 0 0.09 4321 4319 H82 SLES 1 37.9434 19.5629 16.9004 HAL2 4317 0 0 0 0.09 4322 4320 C9 SLES 1 36.4778 20.4811 15.6942 CTL2 4317 4321 4322 4323 -0.18 4323 4321 H91 SLES 1 36.0221 21.4764 15.4932 HAL2 4320 0 0 0 0.09 4324 4322 H92 SLES 1 36.9028 20.0731 14.7497 HAL2 4320 0 0 0 0.09 4325 4323 C10 SLES 1 35.5272 19.5129 16.3953 CTL2 4320 4324 4325 4326 -0.18 4326 4324 H10 SLES 1 35.192 19.9489 17.375 HAL2 4323 0 0 0 0.09 4327 4325 H10 SLES 1 36.066 18.5563 16.6365 HAL2 4323 0 0 0 0.09 4328 4326 C11 SLES 1 34.3017 19.1551 15.619 CTL2 4323 4327 4328 4329 -0.18 4329 4327 H11 SLES 1 33.7586 20.1039 15.4004 HAL2 4326 0 0 0 0.09 4330 4328 H11 SLES 1 34.638 18.7033 14.6571 HAL2 4326 0 0 0 0.09 4331 4329 C12 SLES 1 33.4479 18.1845 16.4399 CTL3 4326 4330 4331 4332 -0.27 4332 4330 H12 SLES 1 32.4577 18.6337 16.6491 HAL3 4329 0 0 0 0.09 4333 4331 H12 SLES 1 33.3429 17.2227 15.9012 HAL3 4329 0 0 0 0.09 4334 4332 H12 SLES 1 33.9069 17.9466 17.431 HAL3 4329 0 0 0 0.09 4335 4333 NA SLES 1 44.2569 42.0285 16.9794 NA 0 0 0 0 1 4336 4334 S SLES 1 43.5493 40.748 19.6315 SL 4335 4336 4337 4338 1.33 4337 4335 OS1 SLES 1 42.6733 40.0889 18.6479 OSL 4334 4339 0 0 -0.28 4338 4336 OS2 SLES 1 43.0371 42.0479 19.2589 O2L 4334 0 0 0 -0.65 4339 4337 OS3 SLES 1 44.7274 40.3243 18.9106 O2L 4334 0 0 0 -0.65 4340 4338 OS4 SLES 1 43.2348 40.1823 20.9133 O2L 4334 0 0 0 -0.65 4341 4339 C2 SLES 1 41.7575 39.092 18.8683 CC32A 4335 4340 4341 4342 -0.11 4342 4340 H2A SLES 1 40.9675 39.4304 19.5897 HCA2 4339 0 0 0 0.09 4343 4341 H2B SLES 1 42.258 38.1673 19.2606 HCA2 4339 0 0 0 0.09 4344 4342 C1 SLES 1 41.1761 38.8695 17.4555 CC32A 4339 4343 4344 4345 -0.01 4345 4343 H1B SLES 1 40.7081 39.809 17.0622 HCA2 4342 0 0 0 0.09 4346 4344 H1A SLES 1 41.9735 38.542 16.7441 HCA2 4342 0 0 0 0.09 4347 4345 O1 SLES 1 40.1848 37.9093 17.284 OC30A 4342 4346 0 0 -0.34 4348 4346 C2 SLES 1 39.7446 37.1971 18.4258 CC32A 4345 4347 4348 4349 -0.01 4349 4347 H2A SLES 1 39.3283 37.9074 19.1963 HCA2 4346 0 0 0 0.09 4350 4348 H2B SLES 1 40.5794 36.6224 18.8911 HCA2 4346 0 0 0 0.09 4351 4349 C1 SLES 1 38.652 36.5519 17.498 CC32A 4346 4350 4351 4352 -0.01 4352 4350 H1B SLES 1 37.8582 36.9844 18.1212 HCA2 4349 0 0 0 0.09 4353 4351 H1A SLES 1 39.2641 35.6118 17.7508 HCA2 4349 0 0 0 0.09 4354 4352 O1 SLES 1 37.8382 35.5775 16.8978 OC30A 4349 4353 0 0 -0.34 4355 4353 C1 SLES 1 37.0465 34.7532 17.7413 CTL2 4352 4354 4355 4356 -0.18 4356 4354 H11 SLES 1 36.4606 35.2841 18.5427 HAL2 4353 0 0 0 0.09 4357 4355 H12 SLES 1 37.6862 33.991 18.2536 HAL2 4353 0 0 0 0.09 4358 4356 C2 SLES 1 36.1317 34.1319 16.6867 CTL2 4353 4357 4358 4359 -0.18 4359 4357 H21 SLES 1 35.4432 34.8675 16.2056 HAL2 4356 0 0 0 0.09 4360 4358 H22 SLES 1 36.6907 33.5832 15.89 HAL2 4356 0 0 0 0.09 4361 4359 C3 SLES 1 35.3385 33.1635 17.4673 CTL2 4356 4360 4361 4362 -0.18 4362 4360 H31 SLES 1 34.8111 33.7821 18.2435 HAL2 4359 0 0 0 0.09 4363 4361 H32 SLES 1 36.0967 32.467 17.9211 HAL2 4359 0 0 0 0.09 4364 4362 C4 SLES 1 34.3025 32.3056 16.8163 CTL2 4359 4363 4364 4365 -0.18 4365 4363 H41 SLES 1 33.5025 32.9242 16.3397 HAL2 4362 0 0 0 0.09 4366 4364 H42 SLES 1 34.7495 31.6542 16.0291 HAL2 4362 0 0 0 0.09 4367 4365 C5 SLES 1 33.8384 31.5445 18.0655 CTL2 4362 4366 4367 4368 -0.18 4368 4366 H51 SLES 1 33.4687 32.26 18.8475 HAL2 4365 0 0 0 0.09 4369 4367 H52 SLES 1 34.7 31.0047 18.5395 HAL2 4365 0 0 0 0.09 4370 4368 C6 SLES 1 32.7769 30.5477 17.8845 CTL2 4365 4369 4370 4371 -0.18 4371 4369 H61 SLES 1 31.9504 30.8376 18.5886 HAL2 4368 0 0 0 0.09 4372 4370 H62 SLES 1 33.1851 29.5788 18.2795 HAL2 4368 0 0 0 0.09 4373 4371 C7 SLES 1 32.234 30.3633 16.4622 CTL2 4368 4372 4373 4374 -0.18 4374 4372 H71 SLES 1 31.742 31.2727 16.0433 HAL2 4371 0 0 0 0.09 4375 4373 H72 SLES 1 32.9919 29.9981 15.7307 HAL2 4371 0 0 0 0.09 4376 4374 C8 SLES 1 31.2238 29.3079 16.7325 CTL2 4371 4375 4376 4377 -0.18 4377 4375 H81 SLES 1 30.5108 29.7382 17.4905 HAL2 4374 0 0 0 0.09 4378 4376 H82 SLES 1 31.7881 28.4367 17.1718 HAL2 4374 0 0 0 0.09 4379 4377 C9 SLES 1 30.3901 28.7607 15.627 CTL2 4374 4378 4379 4380 -0.18 4380 4378 H91 SLES 1 29.7856 29.572 15.1634 HAL2 4377 0 0 0 0.09 4381 4379 H92 SLES 1 31.0382 28.2949 14.851 HAL2 4377 0 0 0 0.09 4382 4380 C10 SLES 1 29.5479 27.7459 16.3975 CTL2 4377 4381 4382 4383 -0.18 4383 4381 H10 SLES 1 28.9751 28.2653 17.2125 HAL2 4380 0 0 0 0.09 4384 4382 H10 SLES 1 30.2183 26.9979 16.9019 HAL2 4380 0 0 0 0.09 4385 4383 C11 SLES 1 28.5639 26.9826 15.5718 CTL2 4380 4384 4385 4386 -0.18 4386 4384 H11 SLES 1 27.8871 27.7264 15.0903 HAL2 4383 0 0 0 0.09 4387 4385 H11 SLES 1 29.138 26.4516 14.7775 HAL2 4383 0 0 0 0.09 4388 4386 C12 SLES 1 27.7958 26.0096 16.4707 CTL3 4383 4387 4388 4389 -0.27 4389 4387 H12 SLES 1 26.7154 26.2517 16.4561 HAL3 4386 0 0 0 0.09 4390 4388 H12 SLES 1 27.9747 24.9674 16.1417 HAL3 4386 0 0 0 0.09 4391 4389 H12 SLES 1 28.122 26.0675 17.5383 HAL3 4386 0 0 0 0.09 4392 4390 NA SLES 1 32.8529 51.4393 16.9586 NA 0 0 0 0 1 4393 4391 S SLES 1 31.8821 50.4027 19.6339 SL 4392 4393 4394 4395 1.33 4394 4392 OS1 SLES 1 31.3759 49.4338 18.6469 OSL 4391 4396 0 0 -0.28 4395 4393 OS2 SLES 1 31.2106 51.4883 18.9549 O2L 4391 0 0 0 -0.65 4396 4394 OS3 SLES 1 33.2436 50.1656 19.2126 O2L 4391 0 0 0 -0.65 4397 4395 OS4 SLES 1 31.4288 49.9591 20.9222 O2L 4391 0 0 0 -0.65 4398 4396 C2 SLES 1 30.6503 48.2934 18.8796 CC32A 4392 4397 4398 4399 -0.11 4399 4397 H2A SLES 1 29.6777 48.5369 19.3832 HCA2 4396 0 0 0 0.09 4400 4398 H2B SLES 1 31.2324 47.5694 19.5094 HCA2 4396 0 0 0 0.09 4401 4399 C1 SLES 1 30.4283 47.7546 17.4499 CC32A 4396 4400 4401 4402 -0.01 4402 4400 H1B SLES 1 29.8747 48.5001 16.8222 HCA2 4399 0 0 0 0.09 4403 4401 H1A SLES 1 31.4039 47.5245 16.9555 HCA2 4399 0 0 0 0.09 4404 4402 O1 SLES 1 29.704 46.5791 17.2834 OC30A 4399 4403 0 0 -0.34 4405 4403 C2 SLES 1 29.188 45.9467 18.4404 CC32A 4402 4404 4405 4406 -0.01 4406 4404 H2A SLES 1 28.4896 46.6409 18.9898 HCA2 4403 0 0 0 0.09 4407 4405 H2B SLES 1 30.0059 45.6464 19.1363 HCA2 4403 0 0 0 0.09 4408 4406 C1 SLES 1 28.4599 44.9494 17.4677 CC32A 4403 4407 4408 4409 -0.01 4409 4407 H1B SLES 1 27.4852 45.2694 17.8588 HCA2 4406 0 0 0 0.09 4410 4408 H1A SLES 1 29.1807 44.2172 17.9842 HCA2 4406 0 0 0 0.09 4411 4409 O1 SLES 1 27.9967 43.7427 16.9187 OC30A 4406 4410 0 0 -0.34 4412 4410 C1 SLES 1 27.2276 42.8814 17.7461 CTL2 4409 4411 4412 4413 -0.18 4413 4411 H11 SLES 1 26.3959 43.368 18.3281 HAL2 4410 0 0 0 0.09 4414 4412 H12 SLES 1 27.8861 42.3623 18.4873 HAL2 4410 0 0 0 0.09 4415 4413 C2 SLES 1 26.6913 41.9306 16.6769 CTL2 4410 4414 4415 4416 -0.18 4416 4414 H21 SLES 1 25.9849 42.4173 15.9622 HAL2 4413 0 0 0 0.09 4417 4415 H22 SLES 1 27.4998 41.4213 16.0978 HAL2 4413 0 0 0 0.09 4418 4416 C3 SLES 1 25.9623 40.9215 17.4685 CTL2 4413 4417 4418 4419 -0.18 4419 4417 H31 SLES 1 25.1744 41.5027 18.0207 HAL2 4416 0 0 0 0.09 4420 4418 H32 SLES 1 26.7333 40.4848 18.1617 HAL2 4416 0 0 0 0.09 4421 4419 C4 SLES 1 25.2735 39.7696 16.8115 CTL2 4416 4420 4421 4422 -0.18 4422 4420 H41 SLES 1 24.4825 40.1186 16.1028 HAL2 4419 0 0 0 0.09 4423 4421 H42 SLES 1 25.9931 39.137 16.2407 HAL2 4419 0 0 0 0.09 4424 4422 C5 SLES 1 24.7222 39.0992 18.0771 CTL2 4419 4423 4424 4425 -0.18 4425 4423 H51 SLES 1 24.0651 39.8104 18.6448 HAL2 4422 0 0 0 0.09 4426 4424 H52 SLES 1 25.5572 38.8398 18.7799 HAL2 4422 0 0 0 0.09 4427 4425 C6 SLES 1 23.9398 37.8711 17.8957 CTL2 4422 4426 4427 4428 -0.18 4428 4426 H61 SLES 1 22.9453 38.0573 18.3848 HAL2 4425 0 0 0 0.09 4429 4427 H62 SLES 1 24.4415 37.0838 18.5201 HAL2 4425 0 0 0 0.09 4430 4428 C7 SLES 1 23.749 37.3766 16.4568 CTL2 4425 4429 4430 4431 -0.18 4431 4429 H71 SLES 1 23.1836 38.0841 15.8054 HAL2 4428 0 0 0 0.09 4432 4430 H72 SLES 1 24.6983 37.0985 15.9426 HAL2 4428 0 0 0 0.09 4433 4431 C8 SLES 1 22.9344 36.1649 16.732 CTL2 4428 4432 4433 4434 -0.18 4434 4432 H81 SLES 1 22.0097 36.5196 17.268 HAL2 4431 0 0 0 0.09 4435 4433 H82 SLES 1 23.5572 35.5135 17.4088 HAL2 4431 0 0 0 0.09 4436 4434 C9 SLES 1 22.4715 35.297 15.6142 CTL2 4431 4435 4436 4437 -0.18 4437 4435 H91 SLES 1 21.827 35.8783 14.9175 HAL2 4434 0 0 0 0.09 4438 4436 H92 SLES 1 23.3448 34.8909 15.0559 HAL2 4434 0 0 0 0.09 4439 4437 C10 SLES 1 21.7068 34.2308 16.3958 CTL2 4434 4438 4439 4440 -0.18 4440 4438 H10 SLES 1 20.8871 34.7111 16.9954 HAL2 4437 0 0 0 0.09 4441 4439 H10 SLES 1 22.3936 33.7312 17.1322 HAL2 4437 0 0 0 0.09 4442 4440 C11 SLES 1 21.0852 33.1582 15.5617 CTL2 4437 4441 4442 4443 -0.18 4443 4441 H11 SLES 1 20.3885 33.6554 14.8473 HAL2 4440 0 0 0 0.09 4444 4442 H11 SLES 1 21.9041 32.6698 14.9845 HAL2 4440 0 0 0 0.09 4445 4443 C12 SLES 1 20.3567 32.1665 16.4732 CTL3 4440 4444 4445 4446 -0.27 4446 4444 H12 SLES 1 19.2764 32.1511 16.2306 HAL3 4443 0 0 0 0.09 4447 4445 H12 SLES 1 20.8024 31.158 16.3694 HAL3 4443 0 0 0 0.09 4448 4446 H12 SLES 1 20.4379 32.4416 17.5535 HAL3 4443 0 0 0 0.09 4449 4447 NA SLES 1 19.5057 57.8235 17.0662 NA 0 0 0 0 1 4450 4448 S SLES 1 18.1669 56.8124 19.588 SL 4449 4450 4451 4452 1.33 4451 4449 OS1 SLES 1 18.1107 55.6786 18.6496 OSL 4448 4453 0 0 -0.28 4452 4450 OS2 SLES 1 17.4678 57.661 18.649 O2L 4448 0 0 0 -0.65 4453 4451 OS3 SLES 1 19.6081 56.855 19.4966 O2L 4448 0 0 0 -0.65 4454 4452 OS4 SLES 1 17.5246 56.3828 20.7983 O2L 4448 0 0 0 -0.65 4455 4453 C2 SLES 1 17.5958 54.4265 18.8693 CC32A 4449 4454 4455 4456 -0.11 4456 4454 H2A SLES 1 16.504 54.4843 19.1214 HCA2 4453 0 0 0 0.09 4457 4455 H2B SLES 1 18.1484 53.905 19.6952 HCA2 4453 0 0 0 0.09 4458 4456 C1 SLES 1 17.8266 53.7389 17.5064 CC32A 4453 4457 4458 4459 -0.01 4459 4457 H1B SLES 1 17.2962 54.2878 16.6857 HCA2 4456 0 0 0 0.09 4460 4458 H1A SLES 1 18.9163 53.6956 17.2621 HCA2 4456 0 0 0 0.09 4461 4459 O1 SLES 1 17.413 52.421 17.3439 OC30A 4456 4460 0 0 -0.34 4462 4460 C2 SLES 1 16.7796 51.7834 18.438 CC32A 4459 4461 4462 4463 -0.01 4463 4461 H2A SLES 1 15.8473 52.3441 18.7343 HCA2 4460 0 0 0 0.09 4464 4462 H2B SLES 1 17.4559 51.7317 19.3232 HCA2 4460 0 0 0 0.09 4465 4463 C1 SLES 1 16.5147 50.5731 17.4706 CC32A 4460 4464 4465 4466 -0.01 4466 4464 H1B SLES 1 15.4317 50.6957 17.6034 HCA2 4463 0 0 0 0.09 4467 4465 H1A SLES 1 17.2273 50.0658 18.217 HCA2 4463 0 0 0 0.09 4468 4466 O1 SLES 1 16.4451 49.2532 16.9964 OC30A 4463 4467 0 0 -0.34 4469 4467 C1 SLES 1 15.6938 48.3099 17.7472 CTL2 4466 4468 4469 4470 -0.18 4470 4468 H11 SLES 1 14.6688 48.6417 18.0737 HAL2 4467 0 0 0 0.09 4471 4469 H12 SLES 1 16.2519 48.0134 18.6708 HAL2 4467 0 0 0 0.09 4472 4470 C2 SLES 1 15.6245 47.1803 16.7206 CTL2 4467 4471 4472 4473 -0.18 4473 4471 H21 SLES 1 15.0211 47.4365 15.8167 HAL2 4470 0 0 0 0.09 4474 4472 H22 SLES 1 16.6312 46.8214 16.395 HAL2 4470 0 0 0 0.09 4475 4473 C3 SLES 1 14.9495 46.0997 17.4642 CTL2 4470 4474 4475 4476 -0.18 4476 4474 H31 SLES 1 13.9541 46.5307 17.7589 HAL2 4473 0 0 0 0.09 4477 4475 H32 SLES 1 15.6093 45.9047 18.3544 HAL2 4473 0 0 0 0.09 4478 4476 C4 SLES 1 14.6794 44.7734 16.8309 CTL2 4473 4477 4478 4479 -0.18 4479 4477 H41 SLES 1 14.0219 44.8775 15.9327 HAL2 4476 0 0 0 0.09 4480 4478 H42 SLES 1 15.6245 44.2754 16.5104 HAL2 4476 0 0 0 0.09 4481 4479 C5 SLES 1 13.9948 44.0996 18.0277 CTL2 4476 4480 4481 4482 -0.18 4482 4480 H51 SLES 1 13.094 44.6878 18.3481 HAL2 4479 0 0 0 0.09 4483 4481 H52 SLES 1 14.6775 44.0921 18.9178 HAL2 4479 0 0 0 0.09 4484 4482 C6 SLES 1 13.5401 42.7164 17.8454 CTL2 4479 4483 4484 4485 -0.18 4485 4483 H61 SLES 1 12.4424 42.7124 18.0862 HAL2 4482 0 0 0 0.09 4486 4484 H62 SLES 1 14.0303 42.1149 18.6573 HAL2 4482 0 0 0 0.09 4487 4485 C7 SLES 1 13.7938 42.0781 16.4744 CTL2 4482 4486 4487 4488 -0.18 4488 4486 H71 SLES 1 13.2654 42.5856 15.6331 HAL2 4485 0 0 0 0.09 4489 4487 H72 SLES 1 14.8728 41.9806 16.2116 HAL2 4485 0 0 0 0.09 4490 4488 C8 SLES 1 13.1986 40.7401 16.7256 CTL2 4485 4489 4490 4491 -0.18 4491 4489 H81 SLES 1 12.1225 40.9192 17.0049 HAL2 4488 0 0 0 0.09 4492 4490 H82 SLES 1 13.7645 40.302 17.5964 HAL2 4488 0 0 0 0.09 4493 4491 C9 SLES 1 13.1938 39.7037 15.6567 CTL2 4488 4492 4493 4494 -0.18 4494 4492 H91 SLES 1 12.6261 40.0672 14.7711 HAL2 4491 0 0 0 0.09 4495 4493 H92 SLES 1 14.2365 39.4613 15.3516 HAL2 4491 0 0 0 0.09 4496 4494 C10 SLES 1 12.4987 38.5587 16.3905 CTL2 4491 4495 4496 4497 -0.18 4497 4495 H10 SLES 1 11.4823 38.8885 16.7374 HAL2 4494 0 0 0 0.09 4498 4496 H10 SLES 1 13.0809 38.2871 17.3129 HAL2 4494 0 0 0 0.09 4499 4497 C11 SLES 1 12.3178 37.3105 15.5894 CTL2 4494 4498 4499 4500 -0.18 4500 4498 H11 SLES 1 11.7215 37.5791 14.6865 HAL2 4497 0 0 0 0.09 4501 4499 H11 SLES 1 13.3299 36.9744 15.2651 HAL2 4497 0 0 0 0.09 4502 4500 C12 SLES 1 11.6119 36.2564 16.4471 CTL3 4497 4501 4502 4503 -0.27 4503 4501 H12 SLES 1 10.6439 35.9788 15.9867 HAL3 4500 0 0 0 0.09 4504 4502 H12 SLES 1 12.2632 35.3692 16.5701 HAL3 4500 0 0 0 0.09 4505 4503 H12 SLES 1 11.3818 36.6283 17.4758 HAL3 4500 0 0 0 0.09 4506 4504 NA SLES 1 4.97357 60.7985 17.2952 NA 0 0 0 0 1 4507 4505 S SLES 1 3.29597 59.5683 19.4967 SL 4506 4507 4508 4509 1.33 4508 4506 OS1 SLES 1 3.70875 58.4316 18.656 OSL 4505 4510 0 0 -0.28 4509 4507 OS2 SLES 1 2.68872 60.2247 18.3605 O2L 4505 0 0 0 -0.65 4510 4508 OS3 SLES 1 4.67418 59.9237 19.7448 O2L 4505 0 0 0 -0.65 4511 4509 OS4 SLES 1 2.47946 59.0322 20.5492 O2L 4505 0 0 0 -0.65 4512 4510 C2 SLES 1 3.42718 57.1017 18.8381 CC32A 4506 4511 4512 4513 -0.11 4513 4511 H2A SLES 1 2.31947 56.9239 18.8209 HCA2 4510 0 0 0 0.09 4514 4512 H2B SLES 1 3.85567 56.7301 19.8065 HCA2 4510 0 0 0 0.09 4515 4513 C1 SLES 1 4.12346 56.4547 17.6214 CC32A 4510 4514 4515 4516 -0.01 4516 4514 H1B SLES 1 3.70908 56.8581 16.6613 HCA2 4513 0 0 0 0.09 4517 4515 H1A SLES 1 5.22435 56.6464 17.6447 HCA2 4513 0 0 0 0.09 4518 4516 O1 SLES 1 4.04543 55.0754 17.4618 OC30A 4513 4517 0 0 -0.34 4519 4517 C2 SLES 1 3.30911 54.3361 18.4189 CC32A 4516 4518 4519 4520 -0.01 4520 4518 H2A SLES 1 2.23712 54.6848 18.4456 HCA2 4517 0 0 0 0.09 4521 4519 H2B SLES 1 3.74259 54.451 19.4399 HCA2 4517 0 0 0 0.09 4522 4520 C1 SLES 1 3.54736 53.0785 17.5064 CC32A 4517 4521 4522 4523 -0.01 4523 4521 H1B SLES 1 2.46382 52.9636 17.3709 HCA2 4520 0 0 0 0.09 4524 4522 H1A SLES 1 4.14393 52.7542 18.4344 HCA2 4520 0 0 0 0.09 4525 4523 O1 SLES 1 3.87201 51.7663 17.1259 OC30A 4520 4524 0 0 -0.34 4526 4524 C1 SLES 1 3.17193 50.6963 17.7447 CTL2 4523 4525 4526 4527 -0.18 4527 4525 H11 SLES 1 2.05232 50.802 17.7954 HAL2 4524 0 0 0 0.09 4528 4526 H12 SLES 1 3.53489 50.5473 18.7928 HAL2 4524 0 0 0 0.09 4529 4527 C2 SLES 1 3.59315 49.559 16.8151 CTL2 4524 4528 4529 4530 -0.18 4530 4528 H21 SLES 1 3.19086 49.6593 15.7784 HAL2 4527 0 0 0 0.09 4531 4529 H22 SLES 1 4.70091 49.4231 16.7629 HAL2 4527 0 0 0 0.09 4532 4530 C3 SLES 1 2.9956 48.3716 17.4548 CTL2 4527 4531 4532 4533 -0.18 4533 4531 H31 SLES 1 1.89126 48.58 17.4745 HAL2 4530 0 0 0 0.09 4534 4532 H32 SLES 1 3.44192 48.3433 18.4871 HAL2 4530 0 0 0 0.09 4535 4533 C4 SLES 1 3.17091 47.0063 16.8732 CTL2 4530 4534 4535 4536 -0.18 4536 4534 H41 SLES 1 2.74756 46.9463 15.8403 HAL2 4533 0 0 0 0.09 4537 4535 H42 SLES 1 4.2479 46.7212 16.8215 HAL2 4533 0 0 0 0.09 4538 4536 C5 SLES 1 2.36836 46.2225 17.9204 CTL2 4533 4537 4538 4539 -0.18 4539 4537 H51 SLES 1 1.31462 46.6053 17.9761 HAL2 4536 0 0 0 0.09 4540 4538 H52 SLES 1 2.79748 46.382 18.9445 HAL2 4536 0 0 0 0.09 4541 4539 C6 SLES 1 2.26977 44.7699 17.7366 CTL2 4536 4540 4541 4542 -0.18 4542 4540 H61 SLES 1 1.1721 44.5304 17.7115 HAL2 4539 0 0 0 0.09 4543 4541 H62 SLES 1 2.65918 44.3064 18.6825 HAL2 4539 0 0 0 0.09 4544 4542 C7 SLES 1 2.97957 44.176 16.5139 CTL2 4539 4543 4544 4545 -0.18 4545 4543 H71 SLES 1 2.58063 44.539 15.5373 HAL2 4542 0 0 0 0.09 4546 4544 H72 SLES 1 4.08599 44.312 16.5207 HAL2 4542 0 0 0 0.09 4547 4545 C8 SLES 1 2.63201 42.7454 16.7138 CTL2 4542 4546 4547 4548 -0.18 4548 4546 H81 SLES 1 1.50727 42.6899 16.7179 HAL2 4545 0 0 0 0.09 4549 4547 H82 SLES 1 3.04467 42.4589 17.7228 HAL2 4545 0 0 0 0.09 4550 4548 C9 SLES 1 3.10533 41.7123 15.7518 CTL2 4545 4549 4550 4551 -0.18 4551 4549 H91 SLES 1 2.71002 41.9254 14.7334 HAL2 4548 0 0 0 0.09 4552 4550 H92 SLES 1 4.21796 41.6982 15.7194 HAL2 4548 0 0 0 0.09 4553 4551 C10 SLES 1 2.50453 40.4575 16.3819 CTL2 4548 4552 4553 4554 -0.18 4554 4552 H10 SLES 1 1.3884 40.5635 16.4545 HAL2 4551 0 0 0 0.09 4555 4553 H10 SLES 1 2.88534 40.3381 17.4327 HAL2 4551 0 0 0 0.09 4556 4554 C11 SLES 1 2.78929 39.1846 15.6532 CTL2 4551 4555 4556 4557 -0.18 4557 4555 H11 SLES 1 2.39089 39.2984 14.6181 HAL2 4554 0 0 0 0.09 4558 4556 H11 SLES 1 3.89706 39.072 15.6018 HAL2 4554 0 0 0 0.09 4559 4557 C12 SLES 1 2.12892 38.0185 16.3941 CTL3 4554 4558 4559 4560 -0.27 4560 4558 H12 SLES 1 1.38318 37.5267 15.7399 HAL3 4557 0 0 0 0.09 4561 4559 H12 SLES 1 2.89953 37.298 16.7311 HAL3 4557 0 0 0 0.09 4562 4560 H12 SLES 1 1.58101 38.351 17.3099 HAL3 4557 0 0 0 0.09 4563 4561 NA SLES 1 -9.90967 60.1552 17.6314 NA 0 0 0 0 1 4564 4562 S SLES 1 -11.7666 58.5065 19.3657 SL 4563 4564 4565 4566 1.33 4565 4563 OS1 SLES 1 -10.9273 57.5192 18.6657 OSL 4562 4567 0 0 -0.28 4566 4564 OS2 SLES 1 -12.2062 59.0671 18.1075 O2L 4562 0 0 0 -0.65 4567 4565 OS3 SLES 1 -10.5997 59.1343 19.9416 O2L 4562 0 0 0 -0.65 4568 4566 OS4 SLES 1 -12.6792 57.766 20.1907 O2L 4562 0 0 0 -0.65 4569 4567 C2 SLES 1 -10.9516 56.1533 18.7879 CC32A 4563 4568 4569 4570 -0.11 4570 4568 H2A SLES 1 -11.9569 55.7463 18.5004 HCA2 4567 0 0 0 0.09 4571 4569 H2B SLES 1 -10.7016 55.8401 19.8363 HCA2 4567 0 0 0 0.09 4572 4570 C1 SLES 1 -9.85819 55.7201 17.7878 CC32A 4567 4571 4572 4573 -0.01 4573 4571 H1B SLES 1 -10.1037 56.0669 16.7506 HCA2 4570 0 0 0 0.09 4574 4572 H1A SLES 1 -8.86379 56.1389 18.0793 HCA2 4570 0 0 0 0.09 4575 4573 O1 SLES 1 -9.59636 54.3634 17.6295 OC30A 4570 4574 0 0 -0.34 4576 4574 C2 SLES 1 -10.3662 53.4454 18.3842 CC32A 4573 4575 4576 4577 -0.01 4577 4575 H2A SLES 1 -11.4617 53.5582 18.142 HCA2 4574 0 0 0 0.09 4578 4576 H2B SLES 1 -10.229 53.6062 19.4791 HCA2 4574 0 0 0 0.09 4579 4577 C1 SLES 1 -9.64855 52.3063 17.5729 CC32A 4574 4578 4579 4580 -0.01 4580 4578 H1B SLES 1 -10.6158 51.9708 17.176 HCA2 4577 0 0 0 0.09 4581 4579 H1A SLES 1 -9.23996 52.0765 18.623 HCA2 4577 0 0 0 0.09 4582 4580 O1 SLES 1 -8.96664 51.1096 17.2991 OC30A 4577 4581 0 0 -0.34 4583 4581 C1 SLES 1 -9.54887 49.8907 17.7386 CTL2 4580 4582 4583 4584 -0.18 4584 4582 H11 SLES 1 -10.6429 49.7551 17.5107 HAL2 4581 0 0 0 0.09 4585 4583 H12 SLES 1 -9.42813 49.7776 18.8454 HAL2 4581 0 0 0 0.09 4586 4584 C2 SLES 1 -8.67985 48.9084 16.9544 CTL2 4581 4585 4586 4587 -0.18 4587 4585 H21 SLES 1 -8.83007 48.965 15.8495 HAL2 4584 0 0 0 0.09 4588 4586 H22 SLES 1 -7.59013 49.0119 17.1783 HAL2 4584 0 0 0 0.09 4589 4587 C3 SLES 1 -9.14493 47.5956 17.4408 CTL2 4584 4588 4589 4590 -0.18 4590 4588 H31 SLES 1 -10.2391 47.5648 17.1855 HAL2 4587 0 0 0 0.09 4591 4589 H32 SLES 1 -8.9675 47.6187 18.5515 HAL2 4587 0 0 0 0.09 4592 4590 C4 SLES 1 -8.54399 46.3239 16.9359 CTL2 4587 4591 4592 4593 -0.18 4593 4591 H41 SLES 1 -8.68055 46.2195 15.8313 HAL2 4590 0 0 0 0.09 4594 4592 H42 SLES 1 -7.45138 46.2753 17.1544 HAL2 4590 0 0 0 0.09 4595 4593 C5 SLES 1 -9.38881 45.3447 17.7621 CTL2 4590 4594 4595 4596 -0.18 4596 4594 H51 SLES 1 -10.4814 45.4935 17.5521 HAL2 4593 0 0 0 0.09 4597 4595 H52 SLES 1 -9.26607 45.5479 18.8584 HAL2 4593 0 0 0 0.09 4598 4596 C6 SLES 1 -9.12481 43.9132 17.5762 CTL2 4593 4597 4598 4599 -0.18 4599 4597 H61 SLES 1 -10.1054 43.4484 17.2842 HAL2 4596 0 0 0 0.09 4600 4598 H62 SLES 1 -8.88653 43.5029 18.5941 HAL2 4596 0 0 0 0.09 4601 4599 C7 SLES 1 -8.02856 43.5349 16.5729 CTL2 4596 4600 4601 4602 -0.18 4602 4600 H71 SLES 1 -8.24674 43.8463 15.5241 HAL2 4599 0 0 0 0.09 4603 4601 H72 SLES 1 -7.01295 43.9013 16.8504 HAL2 4599 0 0 0 0.09 4604 4602 C8 SLES 1 -8.09798 42.056 16.6974 CTL2 4599 4603 4604 4605 -0.18 4605 4603 H81 SLES 1 -9.15088 41.764 16.4249 HAL2 4602 0 0 0 0.09 4606 4604 H82 SLES 1 -7.89115 41.8208 17.7802 HAL2 4602 0 0 0 0.09 4607 4605 C9 SLES 1 -7.19422 41.1878 15.8934 CTL2 4602 4606 4607 4608 -0.18 4608 4606 H91 SLES 1 -7.36656 41.3553 14.8067 HAL2 4605 0 0 0 0.09 4609 4607 H92 SLES 1 -6.13094 41.4106 16.1364 HAL2 4605 0 0 0 0.09 4610 4608 C10 SLES 1 -7.64554 39.8089 16.3704 CTL2 4605 4609 4610 4611 -0.18 4611 4609 H10 SLES 1 -8.7417 39.6735 16.1647 HAL2 4608 0 0 0 0.09 4612 4610 H10 SLES 1 -7.51494 39.7285 17.4839 HAL2 4608 0 0 0 0.09 4613 4611 C11 SLES 1 -6.92519 38.6568 15.7489 CTL2 4608 4612 4613 4614 -0.18 4614 4612 H11 SLES 1 -7.07505 38.7275 14.6464 HAL2 4611 0 0 0 0.09 4615 4613 H11 SLES 1 -5.84068 38.7832 15.9733 HAL2 4611 0 0 0 0.09 4616 4614 C12 SLES 1 -7.47888 37.3473 16.3177 CTL3 4611 4615 4616 4617 -0.27 4617 4615 H12 SLES 1 -7.91945 36.7371 15.5055 HAL3 4614 0 0 0 0.09 4618 4616 H12 SLES 1 -6.67679 36.7924 16.8422 HAL3 4614 0 0 0 0.09 4619 4617 H12 SLES 1 -8.29118 37.5176 17.0664 HAL3 4614 0 0 0 0.09 4620 4618 NA SLES 1 -24.2677 55.8762 18.0535 NA 0 0 0 0 1 4621 4619 S SLES 1 -26.0527 53.716 19.2032 SL 4620 4621 4622 4623 1.33 4622 4620 OS1 SLES 1 -24.8795 52.997 18.6779 OSL 4619 4624 0 0 -0.28 4623 4621 OS2 SLES 1 -26.3115 54.2995 17.9059 O2L 4619 0 0 0 -0.65 4624 4622 OS3 SLES 1 -25.2148 54.5072 20.0746 O2L 4619 0 0 0 -0.65 4625 4623 OS4 SLES 1 -26.9393 52.725 19.7452 O2L 4619 0 0 0 -0.65 4626 4624 C2 SLES 1 -24.6264 51.6497 18.722 CC32A 4620 4625 4626 4627 -0.11 4627 4625 H2A SLES 1 -25.425 51.0773 18.1802 HCA2 4624 0 0 0 0.09 4628 4626 H2B SLES 1 -24.5553 51.2896 19.7825 HCA2 4624 0 0 0 0.09 4629 4627 C1 SLES 1 -23.2679 51.5525 17.9949 CC32A 4624 4628 4629 4630 -0.01 4630 4628 H1B SLES 1 -23.3447 51.9452 16.9479 HCA2 4627 0 0 0 0.09 4631 4629 H1A SLES 1 -22.4832 52.1338 18.5385 HCA2 4627 0 0 0 0.09 4632 4630 O1 SLES 1 -22.6823 50.301 17.8367 OC30A 4627 4631 0 0 -0.34 4633 4631 C2 SLES 1 -23.3782 49.1736 18.3361 CC32A 4630 4632 4633 4634 -0.01 4634 4632 H2A SLES 1 -24.3881 49.0842 17.8426 HCA2 4631 0 0 0 0.09 4635 4633 H2B SLES 1 -23.5299 49.2472 19.4384 HCA2 4631 0 0 0 0.09 4636 4634 C1 SLES 1 -22.2617 48.2932 17.6659 CC32A 4631 4635 4636 4637 -0.01 4637 4635 H1B SLES 1 -23.0154 47.8092 17.031 HCA2 4634 0 0 0 0.09 4638 4636 H1A SLES 1 -22.059 48.0465 18.7707 HCA2 4634 0 0 0 0.09 4639 4637 O1 SLES 1 -21.2871 47.295 17.5052 OC30A 4634 4638 0 0 -0.34 4640 4638 C1 SLES 1 -21.6672 45.9447 17.7293 CTL2 4637 4639 4640 4641 -0.18 4641 4639 H11 SLES 1 -22.6238 45.6124 17.2376 HAL2 4638 0 0 0 0.09 4642 4640 H12 SLES 1 -21.7764 45.7472 18.8254 HAL2 4638 0 0 0 0.09 4643 4641 C2 SLES 1 -20.4481 45.2452 17.1299 CTL2 4638 4642 4643 4644 -0.18 4644 4642 H21 SLES 1 -20.3548 45.3816 16.0257 HAL2 4641 0 0 0 0.09 4645 4643 H22 SLES 1 -19.4876 45.5458 17.6151 HAL2 4641 0 0 0 0.09 4646 4644 C3 SLES 1 -20.7067 43.8227 17.423 CTL2 4641 4645 4646 4647 -0.18 4647 4645 H31 SLES 1 -21.6805 43.5952 16.9099 HAL2 4644 0 0 0 0.09 4648 4646 H32 SLES 1 -20.7933 43.7689 18.5435 HAL2 4644 0 0 0 0.09 4649 4647 C4 SLES 1 -19.7404 42.7584 17.0151 CTL2 4644 4648 4649 4650 -0.18 4650 4648 H41 SLES 1 -19.5984 42.7407 15.9063 HAL2 4647 0 0 0 0.09 4651 4649 H42 SLES 1 -18.7421 42.912 17.4881 HAL2 4647 0 0 0 0.09 4652 4650 C5 SLES 1 -20.5098 41.5487 17.5625 CTL2 4647 4651 4652 4653 -0.18 4653 4651 H51 SLES 1 -21.5323 41.4917 17.1027 HAL2 4650 0 0 0 0.09 4654 4652 H52 SLES 1 -20.6851 41.6606 18.6649 HAL2 4650 0 0 0 0.09 4655 4653 C6 SLES 1 -19.8993 40.2277 17.3743 CTL2 4650 4654 4655 4656 -0.18 4656 4654 H61 SLES 1 -20.6606 39.6044 16.8313 HAL2 4653 0 0 0 0.09 4657 4655 H62 SLES 1 -19.8109 39.7737 18.3977 HAL2 4653 0 0 0 0.09 4658 4656 C7 SLES 1 -18.5496 40.1848 16.6477 CTL2 4653 4657 4658 4659 -0.18 4659 4657 H71 SLES 1 -18.59 40.5496 15.5942 HAL2 4656 0 0 0 0.09 4660 4658 H72 SLES 1 -17.73 40.7208 17.1802 HAL2 4656 0 0 0 0.09 4661 4659 C8 SLES 1 -18.3146 38.718 16.6773 CTL2 4656 4660 4661 4662 -0.18 4662 4660 H81 SLES 1 -19.1873 38.2463 16.1443 HAL2 4659 0 0 0 0.09 4663 4661 H82 SLES 1 -18.3096 38.4216 17.7648 HAL2 4659 0 0 0 0.09 4664 4662 C9 SLES 1 -17.0835 38.1387 16.0728 CTL2 4659 4663 4664 4665 -0.18 4665 4663 H91 SLES 1 -17.0399 38.3767 14.9865 HAL2 4662 0 0 0 0.09 4666 4664 H92 SLES 1 -16.1789 38.5481 16.5761 HAL2 4662 0 0 0 0.09 4667 4665 C10 SLES 1 -17.3123 36.6556 16.3569 CTL2 4662 4666 4667 4668 -0.18 4668 4666 H10 SLES 1 -18.2758 36.3208 15.886 HAL2 4665 0 0 0 0.09 4669 4667 H10 SLES 1 -17.4208 36.4912 17.4635 HAL2 4665 0 0 0 0.09 4670 4668 C11 SLES 1 -16.233 35.7439 15.8706 CTL2 4665 4669 4670 4671 -0.18 4671 4669 H11 SLES 1 -16.143 35.8939 14.7695 HAL2 4668 0 0 0 0.09 4672 4670 H11 SLES 1 -15.2826 36.0657 16.3563 HAL2 4668 0 0 0 0.09 4673 4671 C12 SLES 1 -16.5949 34.2982 16.2224 CTL3 4668 4672 4673 4674 -0.27 4674 4672 H12 SLES 1 -16.6946 33.6964 15.2983 HAL3 4671 0 0 0 0.09 4675 4673 H12 SLES 1 -15.8286 33.8686 16.8966 HAL3 4671 0 0 0 0.09 4676 4674 H12 SLES 1 -17.5718 34.2223 16.7605 HAL3 4671 0 0 0 0.09 4677 4675 NA SLES 1 -37.2222 48.1514 18.5352 NA 0 0 0 0 1 4678 4676 S SLES 1 -38.6566 45.528 19.0195 SL 4677 4678 4679 4680 1.33 4679 4677 OS1 SLES 1 -37.2721 45.1469 18.692 OSL 4676 4681 0 0 -0.28 4680 4678 OS2 SLES 1 -38.7864 46.241 17.7683 O2L 4676 0 0 0 -0.65 4681 4679 OS3 SLES 1 -38.2043 46.3265 20.1354 O2L 4676 0 0 0 -0.65 4682 4680 OS4 SLES 1 -39.3822 44.3088 19.2408 O2L 4676 0 0 0 -0.65 4683 4681 C2 SLES 1 -36.7328 43.8867 18.6443 CC32A 4677 4682 4683 4684 -0.11 4684 4682 H2A SLES 1 -37.2607 43.2571 17.8803 HCA2 4681 0 0 0 0.09 4685 4683 H2B SLES 1 -36.7874 43.389 19.6487 HCA2 4681 0 0 0 0.09 4686 4684 C1 SLES 1 -35.2739 44.1754 18.2299 CC32A 4681 4685 4686 4687 -0.01 4687 4685 H1B SLES 1 -35.2348 44.7014 17.2408 HCA2 4684 0 0 0 0.09 4688 4686 H1A SLES 1 -34.7616 44.8106 18.9936 HCA2 4684 0 0 0 0.09 4689 4687 O1 SLES 1 -34.4 43.1054 18.0702 OC30A 4684 4688 0 0 -0.34 4690 4688 C2 SLES 1 -34.9043 41.7986 18.2776 CC32A 4687 4689 4690 4691 -0.01 4691 4689 H2A SLES 1 -35.753 41.5869 17.5661 HCA2 4688 0 0 0 0.09 4692 4690 H2B SLES 1 -35.2781 41.6699 19.3203 HCA2 4688 0 0 0 0.09 4693 4691 C1 SLES 1 -33.5093 41.2724 17.7797 CC32A 4688 4692 4693 4694 -0.01 4694 4692 H1B SLES 1 -33.9966 40.7515 16.9448 HCA2 4691 0 0 0 0.09 4695 4693 H1A SLES 1 -33.4725 40.9039 18.8683 HCA2 4691 0 0 0 0.09 4696 4694 O1 SLES 1 -32.3212 40.5254 17.7311 OC30A 4691 4695 0 0 -0.34 4697 4695 C1 SLES 1 -32.4204 39.1084 17.7175 CTL2 4694 4696 4697 4698 -0.18 4698 4696 H11 SLES 1 -33.1633 38.6718 16.9931 HAL2 4695 0 0 0 0.09 4699 4697 H12 SLES 1 -32.6908 38.7266 18.7341 HAL2 4695 0 0 0 0.09 4700 4698 C2 SLES 1 -30.9822 38.7667 17.3304 CTL2 4695 4699 4700 4701 -0.18 4701 4699 H21 SLES 1 -30.7114 39.0874 16.2958 HAL2 4698 0 0 0 0.09 4702 4700 H22 SLES 1 -30.2271 39.1743 18.046 HAL2 4698 0 0 0 0.09 4703 4701 C3 SLES 1 -30.9623 37.2934 17.4027 CTL2 4698 4702 4703 4704 -0.18 4704 4702 H31 SLES 1 -31.7414 36.9581 16.6651 HAL2 4701 0 0 0 0.09 4705 4703 H32 SLES 1 -31.2484 37.0515 18.4635 HAL2 4701 0 0 0 0.09 4706 4704 C4 SLES 1 -29.7194 36.5188 17.1056 CTL2 4701 4705 4706 4707 -0.18 4707 4705 H41 SLES 1 -29.3663 36.7008 16.0606 HAL2 4704 0 0 0 0.09 4708 4706 H42 SLES 1 -28.8924 36.7936 17.8017 HAL2 4704 0 0 0 0.09 4709 4707 C5 SLES 1 -30.2844 35.1105 17.3344 CTL2 4704 4708 4709 4710 -0.18 4710 4708 H51 SLES 1 -31.1589 34.9224 16.6562 HAL2 4707 0 0 0 0.09 4711 4709 H52 SLES 1 -30.6894 35.014 18.3761 HAL2 4707 0 0 0 0.09 4712 4710 C6 SLES 1 -29.3652 33.9827 17.1436 CTL2 4707 4711 4712 4713 -0.18 4713 4711 H61 SLES 1 -29.8457 33.3115 16.3811 HAL2 4710 0 0 0 0.09 4714 4712 H62 SLES 1 -29.3747 33.4033 18.1056 HAL2 4710 0 0 0 0.09 4715 4713 C7 SLES 1 -27.9271 34.3221 16.7335 CTL2 4710 4714 4715 4716 -0.18 4716 4714 H71 SLES 1 -27.8457 34.8294 15.7432 HAL2 4713 0 0 0 0.09 4717 4715 H72 SLES 1 -27.369 34.9222 17.4893 HAL2 4713 0 0 0 0.09 4718 4716 C8 SLES 1 -27.3751 32.9449 16.6549 CTL2 4713 4717 4718 4719 -0.18 4719 4717 H81 SLES 1 -27.9984 32.3966 15.8939 HAL2 4716 0 0 0 0.09 4720 4718 H82 SLES 1 -27.5124 32.4916 17.6777 HAL2 4716 0 0 0 0.09 4721 4719 C9 SLES 1 -25.9518 32.7228 16.2786 CTL2 4716 4720 4721 4722 -0.18 4722 4720 H91 SLES 1 -25.7551 33.1291 15.2613 HAL2 4719 0 0 0 0.09 4723 4721 H92 SLES 1 -25.2782 33.2217 17.0111 HAL2 4719 0 0 0 0.09 4724 4722 C10 SLES 1 -25.8879 31.1982 16.3421 CTL2 4719 4723 4724 4725 -0.18 4725 4723 H10 SLES 1 -26.6409 30.7546 15.6361 HAL2 4722 0 0 0 0.09 4726 4724 H10 SLES 1 -26.1672 30.8469 17.3727 HAL2 4722 0 0 0 0.09 4727 4725 C11 SLES 1 -24.5568 30.6059 16.0108 CTL2 4722 4726 4727 4728 -0.18 4728 4726 H11 SLES 1 -24.2929 30.9385 14.9798 HAL2 4725 0 0 0 0.09 4729 4727 H11 SLES 1 -23.8162 31.0318 16.7267 HAL2 4725 0 0 0 0.09 4730 4728 C12 SLES 1 -24.6415 29.0804 16.1144 CTL3 4725 4729 4730 4731 -0.27 4731 4729 H12 SLES 1 -24.422 28.6205 15.1314 HAL3 4728 0 0 0 0.09 4732 4730 H12 SLES 1 -23.9421 28.7135 16.8908 HAL3 4728 0 0 0 0.09 4733 4731 H12 SLES 1 -25.6603 28.7294 16.4114 HAL3 4728 0 0 0 0.09 4734 4732 NA SLES 1 -47.9418 37.3855 19.046 NA 0 0 0 0 1 4735 4733 S SLES 1 -48.7938 34.4872 18.8261 SL 4734 4735 4736 4737 1.33 4736 4734 OS1 SLES 1 -47.326 34.4598 18.707 OSL 4733 4738 0 0 -0.28 4737 4735 OS2 SLES 1 -48.8962 35.3927 17.7035 O2L 4733 0 0 0 -0.65 4738 4736 OS3 SLES 1 -48.7066 35.1235 20.1203 O2L 4733 0 0 0 -0.65 4739 4737 OS4 SLES 1 -49.2459 33.1293 18.7092 O2L 4733 0 0 0 -0.65 4740 4738 C2 SLES 1 -46.5118 33.3658 18.5599 CC32A 4734 4739 4740 4741 -0.11 4741 4739 H2A SLES 1 -46.7625 32.8073 17.6196 HCA2 4738 0 0 0 0.09 4742 4740 H2B SLES 1 -46.5994 32.6792 19.4433 HCA2 4738 0 0 0 0.09 4743 4741 C1 SLES 1 -45.1127 34.0134 18.4779 CC32A 4738 4742 4743 4744 -0.01 4744 4742 H1B SLES 1 -45.0488 34.7211 17.611 HCA2 4741 0 0 0 0.09 4745 4743 H1A SLES 1 -44.8782 34.5742 19.4158 HCA2 4741 0 0 0 0.09 4746 4744 O1 SLES 1 -44.0035 33.1903 18.3154 OC30A 4741 4745 0 0 -0.34 4747 4745 C2 SLES 1 -44.2206 31.7949 18.2124 CC32A 4744 4746 4747 4748 -0.01 4748 4746 H2A SLES 1 -44.8834 31.5639 17.3299 HCA2 4745 0 0 0 0.09 4749 4747 H2B SLES 1 -44.7054 31.3918 19.1322 HCA2 4745 0 0 0 0.09 4750 4748 C1 SLES 1 -42.6843 31.6637 17.9069 CC32A 4745 4749 4750 4751 -0.01 4751 4749 H1B SLES 1 -42.9103 31.2317 16.9231 HCA2 4748 0 0 0 0.09 4752 4750 H1A SLES 1 -42.726 31.1026 18.9098 HCA2 4748 0 0 0 0.09 4753 4751 O1 SLES 1 -41.3631 31.1911 17.9628 OC30A 4748 4752 0 0 -0.34 4754 4752 C1 SLES 1 -41.1325 29.8135 17.7038 CTL2 4751 4753 4754 4755 -0.18 4755 4753 H11 SLES 1 -41.6401 29.3901 16.7926 HAL2 4752 0 0 0 0.09 4756 4754 H12 SLES 1 -41.456 29.1931 18.5772 HAL2 4752 0 0 0 0.09 4757 4755 C2 SLES 1 -39.6132 29.8463 17.5434 CTL2 4752 4756 4757 4758 -0.18 4758 4756 H21 SLES 1 -39.2727 30.4117 16.6429 HAL2 4755 0 0 0 0.09 4759 4757 H22 SLES 1 -39.086 30.2461 18.4437 HAL2 4755 0 0 0 0.09 4760 4758 C3 SLES 1 -39.2678 28.4213 17.381 CTL2 4755 4759 4760 4761 -0.18 4761 4759 H31 SLES 1 -39.8315 28.0906 16.4665 HAL2 4758 0 0 0 0.09 4762 4760 H32 SLES 1 -39.6451 27.9234 18.3167 HAL2 4758 0 0 0 0.09 4763 4761 C4 SLES 1 -37.8508 27.9821 17.2019 CTL2 4758 4762 4763 4764 -0.18 4764 4762 H41 SLES 1 -37.3978 28.4326 16.2845 HAL2 4761 0 0 0 0.09 4765 4763 H42 SLES 1 -37.2212 28.2723 18.0755 HAL2 4761 0 0 0 0.09 4766 4764 C5 SLES 1 -38.1063 26.4728 17.0919 CTL2 4761 4765 4766 4767 -0.18 4767 4765 H51 SLES 1 -38.8042 26.2528 16.2407 HAL2 4764 0 0 0 0.09 4768 4766 H52 SLES 1 -38.6283 26.0948 18.0101 HAL2 4764 0 0 0 0.09 4769 4767 C6 SLES 1 -36.9357 25.6094 16.8985 CTL2 4764 4768 4769 4770 -0.18 4770 4768 H61 SLES 1 -37.1315 25.0201 15.9619 HAL2 4767 0 0 0 0.09 4771 4769 H62 SLES 1 -36.9549 24.8617 17.7362 HAL2 4767 0 0 0 0.09 4772 4770 C7 SLES 1 -35.5688 26.3007 16.825 CTL2 4767 4771 4772 4773 -0.18 4773 4771 H71 SLES 1 -35.4598 26.9991 15.9619 HAL2 4770 0 0 0 0.09 4774 4772 H72 SLES 1 -35.2811 26.8384 17.7582 HAL2 4770 0 0 0 0.09 4775 4773 C8 SLES 1 -34.7112 25.103 16.6315 CTL2 4770 4774 4775 4776 -0.18 4776 4774 H81 SLES 1 -35.0727 24.6032 15.6893 HAL2 4773 0 0 0 0.09 4777 4775 H82 SLES 1 -34.8911 24.439 17.5243 HAL2 4773 0 0 0 0.09 4778 4776 C9 SLES 1 -33.2352 25.2455 16.4979 CTL2 4773 4777 4778 4779 -0.18 4779 4777 H91 SLES 1 -32.988 25.8751 15.614 HAL2 4776 0 0 0 0.09 4780 4778 H92 SLES 1 -32.8098 25.7135 17.414 HAL2 4776 0 0 0 0.09 4781 4779 C10 SLES 1 -32.8344 23.7817 16.3271 CTL2 4776 4780 4781 4782 -0.18 4782 4780 H10 SLES 1 -33.3529 23.3459 15.4307 HAL2 4779 0 0 0 0.09 4783 4781 H10 SLES 1 -33.1756 23.186 17.2171 HAL2 4779 0 0 0 0.09 4784 4782 C11 SLES 1 -31.3691 23.5416 16.1604 CTL2 4779 4783 4784 4785 -0.18 4785 4783 H11 SLES 1 -31.0385 24.1164 15.2641 HAL2 4782 0 0 0 0.09 4786 4784 H11 SLES 1 -30.8601 23.9561 17.0613 HAL2 4782 0 0 0 0.09 4787 4785 C12 SLES 1 -31.1172 22.0397 16.0005 CTL3 4782 4786 4787 4788 -0.27 4788 4786 H12 SLES 1 -30.6551 21.8352 15.0153 HAL3 4785 0 0 0 0.09 4789 4787 H12 SLES 1 -30.4754 21.6728 16.8251 HAL3 4785 0 0 0 0.09 4790 4788 H12 SLES 1 -32.0612 21.4425 16.0411 HAL3 4785 0 0 0 0.09 4791 4789 NA SLES 1 -55.6989 24.1926 19.554 NA 0 0 0 0 1 4792 4790 S SLES 1 -55.8482 21.3103 18.6351 SL 4791 4792 4793 4794 1.33 4793 4791 OS1 SLES 1 -54.4078 21.6052 18.7221 OSL 4790 4795 0 0 -0.28 4794 4792 OS2 SLES 1 -56.0463 22.4083 17.7155 O2L 4790 0 0 0 -0.65 4795 4793 OS3 SLES 1 -56.03 21.6393 20.0301 O2L 4790 0 0 0 -0.65 4796 4794 OS4 SLES 1 -55.9681 19.9525 18.1837 O2L 4790 0 0 0 -0.65 4797 4795 C2 SLES 1 -53.357 20.7593 18.474 CC32A 4791 4796 4797 4798 -0.11 4798 4796 H2A SLES 1 -53.3848 20.3911 17.4145 HCA2 4795 0 0 0 0.09 4799 4797 H2B SLES 1 -53.37 19.8863 19.1791 HCA2 4795 0 0 0 0.09 4800 4798 C1 SLES 1 -52.1394 21.6752 18.7234 CC32A 4795 4799 4800 4801 -0.01 4801 4799 H1B SLES 1 -52.1557 22.5598 18.0352 HCA2 4798 0 0 0 0.09 4802 4800 H1A SLES 1 -52.1277 22.0429 19.7788 HCA2 4798 0 0 0 0.09 4803 4801 O1 SLES 1 -50.8625 21.15 18.5569 OC30A 4798 4802 0 0 -0.34 4804 4802 C2 SLES 1 -50.7474 19.8003 18.1446 CC32A 4801 4803 4804 4805 -0.01 4805 4803 H2A SLES 1 -51.2542 19.6484 17.1489 HCA2 4802 0 0 0 0.09 4806 4804 H2B SLES 1 -51.2132 19.1096 18.886 HCA2 4802 0 0 0 0.09 4807 4805 C1 SLES 1 -49.1994 20.0525 18.0397 CC32A 4802 4806 4807 4808 -0.01 4808 4806 H1B SLES 1 -49.2278 19.8197 16.967 HCA2 4805 0 0 0 0.09 4809 4807 H1A SLES 1 -49.2077 19.281 18.8924 HCA2 4805 0 0 0 0.09 4810 4808 O1 SLES 1 -47.817 19.854 18.1856 OC30A 4805 4809 0 0 -0.34 4811 4809 C1 SLES 1 -47.2571 18.6464 17.6892 CTL2 4808 4810 4811 4812 -0.18 4812 4810 H11 SLES 1 -47.5672 18.3489 16.6487 HAL2 4809 0 0 0 0.09 4813 4811 H12 SLES 1 -47.5129 17.7915 18.3645 HAL2 4809 0 0 0 0.09 4814 4812 C2 SLES 1 -45.7765 19.0184 17.7556 CTL2 4809 4813 4814 4815 -0.18 4815 4813 H21 SLES 1 -45.4892 19.8305 17.0452 HAL2 4812 0 0 0 0.09 4816 4814 H22 SLES 1 -45.441 19.2999 18.7834 HAL2 4812 0 0 0 0.09 4817 4815 C3 SLES 1 -45.1038 17.7667 17.3594 CTL2 4812 4816 4817 4818 -0.18 4818 4816 H31 SLES 1 -45.4889 17.547 16.3265 HAL2 4815 0 0 0 0.09 4819 4817 H32 SLES 1 -45.4453 17.0035 18.1123 HAL2 4815 0 0 0 0.09 4820 4818 C4 SLES 1 -43.6137 17.6726 17.2978 CTL2 4815 4819 4820 4821 -0.18 4821 4819 H41 SLES 1 -43.1898 18.4016 16.5639 HAL2 4818 0 0 0 0.09 4822 4820 H42 SLES 1 -43.1516 17.8764 18.2922 HAL2 4818 0 0 0 0.09 4823 4821 C5 SLES 1 -43.5095 16.2084 16.8504 CTL2 4818 4822 4823 4824 -0.18 4824 4822 H51 SLES 1 -44.0558 16.0529 15.8822 HAL2 4821 0 0 0 0.09 4825 4823 H52 SLES 1 -44.0168 15.5345 17.59 HAL2 4821 0 0 0 0.09 4826 4824 C6 SLES 1 -42.1609 15.6641 16.6545 CTL2 4821 4825 4826 4827 -0.18 4827 4825 H61 SLES 1 -42.1288 15.2766 15.6001 HAL2 4824 0 0 0 0.09 4828 4826 H62 SLES 1 -42.0895 14.7569 17.3127 HAL2 4824 0 0 0 0.09 4829 4827 C7 SLES 1 -40.9853 16.6133 16.9164 CTL2 4824 4828 4829 4830 -0.18 4830 4828 H71 SLES 1 -40.9561 17.4972 16.2364 HAL2 4827 0 0 0 0.09 4831 4829 H72 SLES 1 -40.9163 16.9707 17.9701 HAL2 4827 0 0 0 0.09 4832 4830 C8 SLES 1 -39.8645 15.6878 16.6085 CTL2 4827 4831 4832 4833 -0.18 4833 4831 H81 SLES 1 -40.0128 15.3536 15.5434 HAL2 4830 0 0 0 0.09 4834 4832 H82 SLES 1 -39.9731 14.8156 17.3143 HAL2 4830 0 0 0 0.09 4835 4833 C9 SLES 1 -38.4532 16.1495 16.717 CTL2 4830 4834 4835 4836 -0.18 4836 4834 H91 SLES 1 -38.2725 17.0002 16.0225 HAL2 4833 0 0 0 0.09 4837 4835 H92 SLES 1 -38.2333 16.472 17.7595 HAL2 4833 0 0 0 0.09 4838 4836 C10 SLES 1 -37.7173 14.8738 16.3126 CTL2 4833 4837 4838 4839 -0.18 4839 4837 H10 SLES 1 -38.0365 14.5589 15.2825 HAL2 4836 0 0 0 0.09 4840 4838 H10 SLES 1 -37.9974 14.0351 17.0066 HAL2 4836 0 0 0 0.09 4841 4839 C11 SLES 1 -36.2267 14.9764 16.3102 CTL2 4836 4840 4841 4842 -0.18 4842 4840 H11 SLES 1 -35.9515 15.7945 15.6044 HAL2 4839 0 0 0 0.09 4843 4841 H11 SLES 1 -35.9122 15.2681 17.3391 HAL2 4839 0 0 0 0.09 4844 4842 C12 SLES 1 -35.6274 13.6321 15.8877 CTL3 4839 4843 4844 4845 -0.27 4845 4843 H12 SLES 1 -35.0399 13.7541 14.9571 HAL3 4842 0 0 0 0.09 4846 4844 H12 SLES 1 -35.0001 13.2231 16.7037 HAL3 4842 0 0 0 0.09 4847 4845 H12 SLES 1 -36.4112 12.8647 15.6728 HAL3 4842 0 0 0 0.09 4848 4846 NA SLES 1 -59.9289 9.37312 20.0271 NA 0 0 0 0 1 4849 4847 S SLES 1 -59.4062 6.83529 18.4586 SL 4848 4849 4850 4851 1.33 4850 4848 OS1 SLES 1 -58.0703 7.39001 18.7362 OSL 4847 4852 0 0 -0.28 4851 4849 OS2 SLES 1 -59.8095 8.05953 17.8035 O2L 4847 0 0 0 -0.65 4852 4850 OS3 SLES 1 -59.7048 6.76912 19.8706 O2L 4847 0 0 0 -0.65 4853 4851 OS4 SLES 1 -59.2076 5.63407 17.6973 O2L 4847 0 0 0 -0.65 4854 4852 C2 SLES 1 -56.8508 6.86526 18.392 CC32A 4848 4853 4854 4855 -0.11 4855 4853 H2A SLES 1 -56.7595 6.76923 17.2778 HCA2 4852 0 0 0 0.09 4856 4854 H2B SLES 1 -56.6954 5.86313 18.8728 HCA2 4852 0 0 0 0.09 4857 4855 C1 SLES 1 -55.8748 7.92292 18.9509 CC32A 4852 4856 4857 4858 -0.01 4858 4856 H1B SLES 1 -56.0619 8.92583 18.4867 HCA2 4855 0 0 0 0.09 4859 4857 H1A SLES 1 -55.9814 8.01618 20.0596 HCA2 4855 0 0 0 0.09 4860 4858 O1 SLES 1 -54.5084 7.72871 18.7794 OC30A 4855 4859 0 0 -0.34 4861 4859 C2 SLES 1 -54.084 6.57399 18.0785 CC32A 4858 4860 4861 4862 -0.01 4862 4860 H2A SLES 1 -54.5096 6.56885 17.0344 HCA2 4859 0 0 0 0.09 4863 4861 H2B SLES 1 -54.4114 5.64262 18.5971 HCA2 4859 0 0 0 0.09 4864 4862 C1 SLES 1 -52.6271 7.15725 18.1697 CC32A 4859 4863 4864 4865 -0.01 4865 4863 H1B SLES 1 -52.5659 7.19262 17.0739 HCA2 4862 0 0 0 0.09 4866 4864 H1A SLES 1 -52.4947 6.21629 18.8173 HCA2 4862 0 0 0 0.09 4867 4865 O1 SLES 1 -51.2409 7.21805 18.3855 OC30A 4862 4866 0 0 -0.34 4868 4866 C1 SLES 1 -50.4113 6.31016 17.6745 CTL2 4865 4867 4868 4869 -0.18 4869 4867 H11 SLES 1 -50.6116 6.21831 16.5705 HAL2 4866 0 0 0 0.09 4870 4868 H12 SLES 1 -50.4956 5.28245 18.1094 HAL2 4866 0 0 0 0.09 4871 4869 C2 SLES 1 -49.0526 6.95119 17.9534 CTL2 4866 4870 4871 4872 -0.18 4872 4870 H21 SLES 1 -48.927 7.95329 17.4773 HAL2 4869 0 0 0 0.09 4873 4871 H22 SLES 1 -48.8236 7.03615 19.0437 HAL2 4869 0 0 0 0.09 4874 4872 C3 SLES 1 -48.1068 6.00015 17.3392 CTL2 4869 4873 4874 4875 -0.18 4875 4873 H31 SLES 1 -48.3976 5.96483 16.254 HAL2 4872 0 0 0 0.09 4876 4874 H32 SLES 1 -48.2975 5.02288 17.863 HAL2 4872 0 0 0 0.09 4877 4875 C4 SLES 1 -46.6315 6.23281 17.3874 CTL2 4872 4876 4877 4878 -0.18 4878 4876 H41 SLES 1 -46.3535 7.19003 16.8813 HAL2 4875 0 0 0 0.09 4879 4877 H42 SLES 1 -46.2608 6.27822 18.4383 HAL2 4875 0 0 0 0.09 4880 4878 C5 SLES 1 -46.1911 4.97584 16.6251 CTL2 4875 4879 4880 4881 -0.18 4881 4879 H51 SLES 1 -46.6554 4.95237 15.6034 HAL2 4878 0 0 0 0.09 4882 4880 H52 SLES 1 -46.5627 4.05229 17.1422 HAL2 4878 0 0 0 0.09 4883 4881 C6 SLES 1 -44.7496 4.78548 16.4269 CTL2 4878 4882 4883 4884 -0.18 4884 4882 H61 SLES 1 -44.596 4.68229 15.3185 HAL2 4881 0 0 0 0.09 4885 4883 H62 SLES 1 -44.5028 3.77978 16.8616 HAL2 4881 0 0 0 0.09 4886 4884 C7 SLES 1 -43.8224 5.86301 17.002 CTL2 4881 4885 4886 4887 -0.18 4887 4885 H71 SLES 1 -43.9652 6.87268 16.5494 HAL2 4884 0 0 0 0.09 4888 4886 H72 SLES 1 -43.8708 5.95869 18.1116 HAL2 4884 0 0 0 0.09 4889 4887 C8 SLES 1 -42.5149 5.29181 16.5876 CTL2 4884 4888 4889 4890 -0.18 4890 4888 H81 SLES 1 -42.5484 5.20468 15.4653 HAL2 4887 0 0 0 0.09 4891 4889 H82 SLES 1 -42.4529 4.27072 17.0608 HAL2 4887 0 0 0 0.09 4892 4890 C9 SLES 1 -41.245 5.99344 16.922 CTL2 4887 4891 4892 4893 -0.18 4893 4891 H91 SLES 1 -41.2324 7.00634 16.4609 HAL2 4890 0 0 0 0.09 4894 4892 H92 SLES 1 -41.1383 6.08985 18.0258 HAL2 4890 0 0 0 0.09 4895 4893 C10 SLES 1 -40.232 5.03467 16.2998 CTL2 4890 4894 4895 4896 -0.18 4896 4894 H10 SLES 1 -40.4376 4.92197 15.201 HAL2 4893 0 0 0 0.09 4897 4895 H10 SLES 1 -40.3441 4.01284 16.7545 HAL2 4893 0 0 0 0.09 4898 4896 C11 SLES 1 -38.8016 5.43934 16.4508 CTL2 4893 4897 4898 4899 -0.18 4899 4897 H11 SLES 1 -38.6893 6.4435 15.9795 HAL2 4896 0 0 0 0.09 4900 4898 H11 SLES 1 -38.5954 5.52931 17.5425 HAL2 4896 0 0 0 0.09 4901 4899 C12 SLES 1 -37.906 4.39185 15.7833 CTL3 4896 4900 4901 4902 -0.27 4902 4900 H12 SLES 1 -37.3278 4.85562 14.9606 HAL3 4899 0 0 0 0.09 4903 4901 H12 SLES 1 -37.2329 3.93426 16.5342 HAL3 4899 0 0 0 0.09 4904 4902 H12 SLES 1 -38.4931 3.5558 15.3297 HAL3 4899 0 0 0 0.09 4905 4903 NA SLES 1 -60.2845 -6.12967 20.4358 NA 0 0 0 0 1 4906 4904 S SLES 1 -59.2748 -8.03381 18.3076 SL 4905 4906 4907 4908 1.33 4907 4905 OS1 SLES 1 -58.081 -7.29233 18.7485 OSL 4904 4909 0 0 -0.28 4908 4906 OS2 SLES 1 -59.9474 -6.80143 17.962 O2L 4904 0 0 0 -0.65 4909 4907 OS3 SLES 1 -59.5144 -8.50619 19.6517 O2L 4904 0 0 0 -0.65 4910 4908 OS4 SLES 1 -58.8451 -8.9409 17.2807 O2L 4904 0 0 0 -0.65 4911 4909 C2 SLES 1 -56.7873 -7.44413 18.319 CC32A 4905 4910 4911 4912 -0.11 4912 4910 H2A SLES 1 -56.7076 -7.24236 17.2182 HCA2 4909 0 0 0 0.09 4913 4911 H2B SLES 1 -56.4089 -8.47659 18.5435 HCA2 4909 0 0 0 0.09 4914 4912 C1 SLES 1 -56.0447 -6.37273 19.1462 CC32A 4909 4913 4914 4915 -0.01 4915 4913 H1B SLES 1 -56.4538 -5.35033 18.9372 HCA2 4912 0 0 0 0.09 4916 4914 H1A SLES 1 -56.139 -6.57903 20.2407 HCA2 4912 0 0 0 0.09 4917 4915 O1 SLES 1 -54.6735 -6.22294 18.9691 OC30A 4912 4916 0 0 -0.34 4918 4916 C2 SLES 1 -54.0315 -7.05266 18.0182 CC32A 4915 4917 4918 4919 -0.01 4919 4917 H2A SLES 1 -54.4742 -6.89237 16.9936 HCA2 4916 0 0 0 0.09 4920 4918 H2B SLES 1 -54.1387 -8.13044 18.2837 HCA2 4916 0 0 0 0.09 4921 4919 C1 SLES 1 -52.7307 -6.21269 18.2887 CC32A 4916 4920 4921 4922 -0.01 4922 4920 H1B SLES 1 -52.7078 -5.89757 17.2371 HCA2 4919 0 0 0 0.09 4923 4921 H1A SLES 1 -52.3833 -7.2331 18.6892 HCA2 4919 0 0 0 0.09 4924 4922 O1 SLES 1 -51.384 -5.91243 18.5499 OC30A 4919 4923 0 0 -0.34 4925 4923 C1 SLES 1 -50.3993 -6.41985 17.6607 CTL2 4922 4924 4925 4926 -0.18 4926 4924 H11 SLES 1 -50.605 -6.27882 16.5629 HAL2 4923 0 0 0 0.09 4927 4925 H12 SLES 1 -50.2507 -7.51639 17.828 HAL2 4923 0 0 0 0.09 4928 4926 C2 SLES 1 -49.2015 -5.59219 18.1246 CTL2 4923 4927 4928 4929 -0.18 4929 4927 H21 SLES 1 -49.3054 -4.50098 17.9123 HAL2 4926 0 0 0 0.09 4930 4928 H22 SLES 1 -48.9667 -5.73027 19.2082 HAL2 4926 0 0 0 0.09 4931 4929 C3 SLES 1 -48.0915 -6.13936 17.3217 CTL2 4926 4930 4931 4932 -0.18 4932 4930 H31 SLES 1 -48.3972 -5.96878 16.2535 HAL2 4929 0 0 0 0.09 4933 4931 H32 SLES 1 -48.0553 -7.23267 17.5846 HAL2 4929 0 0 0 0.09 4934 4932 C4 SLES 1 -46.699 -5.6165 17.4651 CTL2 4929 4933 4934 4935 -0.18 4935 4933 H41 SLES 1 -46.6453 -4.52785 17.2166 HAL2 4932 0 0 0 0.09 4936 4934 H42 SLES 1 -46.3185 -5.75209 18.5046 HAL2 4932 0 0 0 0.09 4937 4935 C5 SLES 1 -46.0213 -6.52446 16.43 CTL2 4932 4936 4937 4938 -0.18 4938 4936 H51 SLES 1 -46.4973 -6.39524 15.4216 HAL2 4935 0 0 0 0.09 4939 4937 H52 SLES 1 -46.1734 -7.6039 16.6947 HAL2 4935 0 0 0 0.09 4940 4938 C6 SLES 1 -44.5783 -6.34849 16.23 CTL2 4935 4939 4940 4941 -0.18 4941 4939 H61 SLES 1 -44.436 -6.1416 15.1346 HAL2 4938 0 0 0 0.09 4942 4940 H62 SLES 1 -44.1111 -7.35353 16.4114 HAL2 4938 0 0 0 0.09 4943 4941 C7 SLES 1 -43.8871 -5.27263 17.0763 CTL2 4938 4942 4943 4944 -0.18 4944 4942 H71 SLES 1 -44.2541 -4.23727 16.8815 HAL2 4941 0 0 0 0.09 4945 4943 H72 SLES 1 -43.925 -5.46447 18.1738 HAL2 4941 0 0 0 0.09 4946 4944 C8 SLES 1 -42.4995 -5.4324 16.5698 CTL2 4941 4945 4946 4947 -0.18 4947 4945 H81 SLES 1 -42.5438 -5.24686 15.46 HAL2 4944 0 0 0 0.09 4948 4946 H82 SLES 1 -42.2085 -6.50087 16.7798 HAL2 4944 0 0 0 0.09 4949 4947 C9 SLES 1 -41.3999 -4.57996 17.1 CTL2 4944 4948 4949 4950 -0.18 4950 4948 H91 SLES 1 -41.616 -3.50632 16.9018 HAL2 4947 0 0 0 0.09 4951 4949 H92 SLES 1 -41.2866 -4.73661 18.1963 HAL2 4947 0 0 0 0.09 4952 4950 C10 SLES 1 -40.2228 -5.11815 16.2892 CTL2 4947 4951 4952 4953 -0.18 4953 4951 H10 SLES 1 -40.4292 -4.99926 15.1913 HAL2 4950 0 0 0 0.09 4954 4952 H10 SLES 1 -40.1022 -6.21991 16.4764 HAL2 4950 0 0 0 0.09 4955 4953 C11 SLES 1 -38.9081 -4.46738 16.5732 CTL2 4950 4954 4955 4956 -0.18 4956 4954 H11 SLES 1 -39.0253 -3.37823 16.3657 HAL2 4953 0 0 0 0.09 4957 4955 H11 SLES 1 -38.6966 -4.60592 17.6588 HAL2 4953 0 0 0 0.09 4958 4956 C12 SLES 1 -37.828 -5.1034 15.6936 CTL3 4953 4957 4958 4959 -0.27 4959 4957 H12 SLES 1 -37.3844 -4.33983 15.0256 HAL3 4956 0 0 0 0.09 4960 4958 H12 SLES 1 -37.0528 -5.57668 16.3273 HAL3 4956 0 0 0 0.09 4961 4959 H12 SLES 1 -38.2353 -5.90813 15.0334 HAL3 4956 0 0 0 0.09 4962 4960 NA SLES 1 -56.6775 -21.2917 20.7542 NA 0 0 0 0 1 4963 4961 S SLES 1 -55.4866 -22.3823 18.1916 SL 4962 4963 4964 4965 1.33 4964 4962 OS1 SLES 1 -54.4373 -21.5178 18.7582 OSL 4961 4966 0 0 -0.28 4965 4963 OS2 SLES 1 -56.4259 -21.2831 18.181 O2L 4961 0 0 0 -0.65 4966 4964 OS3 SLES 1 -55.5059 -23.1929 19.3873 O2L 4961 0 0 0 -0.65 4967 4965 OS4 SLES 1 -54.9704 -22.9101 16.96 O2L 4961 0 0 0 -0.65 4968 4966 C2 SLES 1 -53.1824 -21.2771 18.2598 CC32A 4962 4967 4968 4969 -0.11 4969 4967 H2A SLES 1 -53.242 -20.8143 17.2394 HCA2 4966 0 0 0 0.09 4970 4968 H2B SLES 1 -52.5815 -22.2237 18.212 HCA2 4966 0 0 0 0.09 4971 4969 C1 SLES 1 -52.6071 -20.2887 19.297 CC32A 4966 4970 4971 4972 -0.01 4972 4970 H1B SLES 1 -53.2345 -19.3619 19.3583 HCA2 4969 0 0 0 0.09 4973 4971 H1A SLES 1 -52.5613 -20.7576 20.3106 HCA2 4969 0 0 0 0.09 4974 4972 O1 SLES 1 -51.3168 -19.8032 19.114 OC30A 4969 4973 0 0 -0.34 4975 4973 C2 SLES 1 -50.603 -20.2284 17.9675 CC32A 4972 4974 4975 4976 -0.01 4976 4974 H2A SLES 1 -51.1566 -19.9378 17.0291 HCA2 4973 0 0 0 0.09 4977 4975 H2B SLES 1 -50.4625 -21.3347 17.9654 HCA2 4973 0 0 0 0.09 4978 4976 C1 SLES 1 -49.4844 -19.2077 18.3892 CC32A 4973 4977 4978 4979 -0.01 4979 4977 H1B SLES 1 -49.6185 -18.6614 17.4462 HCA2 4976 0 0 0 0.09 4980 4978 H1A SLES 1 -48.9009 -20.1905 18.5162 HCA2 4976 0 0 0 0.09 4981 4979 O1 SLES 1 -48.2109 -18.6862 18.6687 OC30A 4976 4980 0 0 -0.34 4982 4980 C1 SLES 1 -47.224 -18.7446 17.6486 CTL2 4979 4981 4982 4983 -0.18 4983 4981 H11 SLES 1 -47.549 -18.403 16.6263 HAL2 4980 0 0 0 0.09 4984 4982 H12 SLES 1 -46.8389 -19.7895 17.5379 HAL2 4980 0 0 0 0.09 4985 4983 C2 SLES 1 -46.1865 -17.8029 18.2584 CTL2 4980 4984 4985 4986 -0.18 4986 4984 H21 SLES 1 -46.5308 -16.7427 18.3226 HAL2 4983 0 0 0 0.09 4987 4985 H22 SLES 1 -45.835 -18.132 19.2666 HAL2 4983 0 0 0 0.09 4988 4986 C3 SLES 1 -45.0618 -17.8912 17.3079 CTL2 4983 4987 4988 4989 -0.18 4989 4987 H31 SLES 1 -45.4877 -17.5505 16.3251 HAL2 4986 0 0 0 0.09 4990 4988 H32 SLES 1 -44.7786 -18.9799 17.2946 HAL2 4986 0 0 0 0.09 4991 4989 C4 SLES 1 -43.7997 -17.1214 17.5259 CTL2 4986 4990 4991 4992 -0.18 4992 4990 H41 SLES 1 -43.993 -16.0206 17.549 HAL2 4989 0 0 0 0.09 4993 4991 H42 SLES 1 -43.3104 -17.4058 18.4869 HAL2 4989 0 0 0 0.09 4994 4992 C5 SLES 1 -43.0423 -17.5934 16.2774 CTL2 4989 4993 4994 4995 -0.18 4995 4993 H51 SLES 1 -43.6205 -17.3433 15.3483 HAL2 4992 0 0 0 0.09 4996 4994 H52 SLES 1 -42.9452 -18.711 16.2758 HAL2 4992 0 0 0 0.09 4997 4995 C6 SLES 1 -41.6893 -17.062 16.0761 CTL2 4992 4996 4997 4998 -0.18 4998 4996 H61 SLES 1 -41.6885 -16.5818 15.0601 HAL2 4995 0 0 0 0.09 4999 4997 H62 SLES 1 -41.0113 -17.9532 15.9903 HAL2 4995 0 0 0 0.09 5000 4998 C7 SLES 1 -41.1635 -16.0852 17.1349 CTL2 4995 4999 5000 5001 -0.18 5001 4999 H71 SLES 1 -41.7512 -15.1401 17.2115 HAL2 4998 0 0 0 0.09 5002 5000 H72 SLES 1 -41.0654 -16.5286 18.1529 HAL2 4998 0 0 0 0.09 5003 5001 C8 SLES 1 -39.8221 -15.8135 16.5565 CTL2 4998 5002 5003 5004 -0.18 5004 5002 H81 SLES 1 -40 -15.3914 15.5278 HAL2 5001 0 0 0 0.09 5005 5003 H82 SLES 1 -39.3002 -16.8103 16.489 HAL2 5001 0 0 0 0.09 5006 5004 C9 SLES 1 -38.8797 -14.8853 17.24 CTL2 5001 5005 5006 5007 -0.18 5007 5005 H91 SLES 1 -39.3285 -13.8698 17.3176 HAL2 5004 0 0 0 0.09 5008 5006 H92 SLES 1 -38.6416 -15.2617 18.2602 HAL2 5004 0 0 0 0.09 5009 5007 C10 SLES 1 -37.6921 -14.9484 16.2817 CTL2 5004 5008 5009 5010 -0.18 5010 5008 H10 SLES 1 -38.0132 -14.628 15.2539 HAL2 5007 0 0 0 0.09 5011 5009 H10 SLES 1 -37.3315 -16.0091 16.19 HAL2 5007 0 0 0 0.09 5012 5010 C11 SLES 1 -36.5199 -14.1071 16.6699 CTL2 5007 5011 5012 5013 -0.18 5013 5011 H11 SLES 1 -36.8763 -13.0529 16.7387 HAL2 5010 0 0 0 0.09 5014 5012 H11 SLES 1 -36.1908 -14.4422 17.6807 HAL2 5010 0 0 0 0.09 5015 5013 C12 SLES 1 -35.4127 -14.2685 15.6244 CTL3 5010 5014 5015 5016 -0.27 5016 5014 H12 SLES 1 -35.1955 -13.2928 15.1479 HAL3 5013 0 0 0 0.09 5017 5015 H12 SLES 1 -34.5046 -14.6921 16.096 HAL3 5013 0 0 0 0.09 5018 5016 H12 SLES 1 -35.7015 -14.9686 14.8024 HAL3 5013 0 0 0 0.09 5019 5017 NA SLES 1 -49.3014 -35.0849 20.9623 NA 0 0 0 0 1 5020 5018 S SLES 1 -48.2914 -35.3373 18.118 SL 5019 5020 5021 5022 1.33 5021 5019 OS1 SLES 1 -47.3669 -34.3905 18.7647 OSL 5018 5023 0 0 -0.28 5022 5020 OS2 SLES 1 -49.4236 -34.5003 18.4468 O2L 5018 0 0 0 -0.65 5023 5021 OS3 SLES 1 -47.9784 -36.3555 19.0939 O2L 5018 0 0 0 -0.65 5024 5022 OS4 SLES 1 -47.8597 -35.4748 16.7554 O2L 5018 0 0 0 -0.65 5025 5023 C2 SLES 1 -46.2692 -33.7764 18.2179 CC32A 5019 5024 5025 5026 -0.11 5026 5024 H2A SLES 1 -46.5642 -33.1429 17.34 HCA2 5023 0 0 0 0.09 5027 5025 H2B SLES 1 -45.5038 -34.5329 17.8992 HCA2 5023 0 0 0 0.09 5028 5026 C1 SLES 1 -45.7625 -32.9138 19.3938 CC32A 5023 5027 5028 5029 -0.01 5029 5027 H1B SLES 1 -46.5476 -32.185 19.7235 HCA2 5026 0 0 0 0.09 5030 5028 H1A SLES 1 -45.4807 -33.5548 20.2649 HCA2 5026 0 0 0 0.09 5031 5029 O1 SLES 1 -44.6347 -32.1223 19.205 OC30A 5026 5030 0 0 -0.34 5032 5030 C2 SLES 1 -44.02 -32.1344 17.9296 CC32A 5029 5031 5032 5033 -0.01 5033 5031 H2A SLES 1 -44.7478 -31.7934 17.1387 HCA2 5030 0 0 0 0.09 5034 5032 H2B SLES 1 -43.6626 -33.1564 17.6623 HCA2 5030 0 0 0 0.09 5035 5033 C1 SLES 1 -43.0802 -30.9938 18.465 CC32A 5030 5034 5035 5036 -0.01 5036 5034 H1B SLES 1 -43.4532 -30.3132 17.6882 HCA2 5033 0 0 0 0.09 5037 5035 H1A SLES 1 -42.2998 -31.8238 18.309 HCA2 5033 0 0 0 0.09 5038 5036 O1 SLES 1 -41.9104 -30.265 18.7342 OC30A 5033 5037 0 0 -0.34 5039 5037 C1 SLES 1 -41.0865 -29.8914 17.639 CTL2 5036 5038 5039 5040 -0.18 5040 5038 H11 SLES 1 -41.6147 -29.4331 16.7568 HAL2 5037 0 0 0 0.09 5041 5039 H12 SLES 1 -40.5196 -30.7776 17.2573 HAL2 5037 0 0 0 0.09 5042 5040 C2 SLES 1 -40.1829 -28.8824 18.3464 CTL2 5037 5041 5042 5043 -0.18 5043 5041 H21 SLES 1 -40.7199 -27.963 18.6826 HAL2 5040 0 0 0 0.09 5044 5042 H22 SLES 1 -39.6334 -29.3199 19.2153 HAL2 5040 0 0 0 0.09 5045 5043 C3 SLES 1 -39.2095 -28.5201 17.2988 CTL2 5040 5044 5045 5046 -0.18 5046 5044 H31 SLES 1 -39.8298 -28.0934 16.4642 HAL2 5043 0 0 0 0.09 5047 5045 H32 SLES 1 -38.7188 -29.4907 17.0111 HAL2 5043 0 0 0 0.09 5048 5046 C4 SLES 1 -38.1092 -27.5449 17.566 CTL2 5043 5047 5048 5049 -0.18 5049 5047 H41 SLES 1 -38.5137 -26.5443 17.8574 HAL2 5046 0 0 0 0.09 5050 5048 H42 SLES 1 -37.4417 -27.8992 18.3863 HAL2 5046 0 0 0 0.09 5051 5049 C5 SLES 1 -37.4572 -27.5713 16.177 CTL2 5046 5050 5051 5052 -0.18 5052 5050 H51 SLES 1 -38.1994 -27.2763 15.3882 HAL2 5049 0 0 0 0.09 5053 5051 H52 SLES 1 -37.1396 -28.6139 15.9117 HAL2 5049 0 0 0 0.09 5054 5052 C6 SLES 1 -36.2805 -26.7181 15.975 CTL2 5049 5053 5054 5055 -0.18 5055 5053 H61 SLES 1 -36.5198 -26.0552 15.0997 HAL2 5052 0 0 0 0.09 5056 5054 H62 SLES 1 -35.4569 -27.3965 15.6247 HAL2 5052 0 0 0 0.09 5057 5055 C7 SLES 1 -35.8163 -25.882 17.1738 CTL2 5052 5056 5057 5058 -0.18 5058 5056 H71 SLES 1 -36.5645 -25.1298 17.5189 HAL2 5055 0 0 0 0.09 5059 5057 H72 SLES 1 -35.4883 -26.4878 18.0502 HAL2 5055 0 0 0 0.09 5060 5058 C8 SLES 1 -34.6523 -25.2027 16.5484 CTL2 5055 5059 5060 5061 -0.18 5061 5059 H81 SLES 1 -35.055 -24.6331 15.6644 HAL2 5058 0 0 0 0.09 5062 5060 H82 SLES 1 -33.9563 -26.0208 16.2066 HAL2 5058 0 0 0 0.09 5063 5061 C9 SLES 1 -33.8277 -24.243 17.333 CTL2 5058 5062 5063 5064 -0.18 5064 5062 H91 SLES 1 -34.4552 -23.3925 17.6819 HAL2 5061 0 0 0 0.09 5065 5063 H92 SLES 1 -33.377 -24.7537 18.2135 HAL2 5061 0 0 0 0.09 5066 5064 C10 SLES 1 -32.7994 -23.8409 16.2777 CTL2 5061 5065 5066 5067 -0.18 5067 5065 H10 SLES 1 -33.3205 -23.4007 15.385 HAL2 5064 0 0 0 0.09 5068 5066 H10 SLES 1 -32.2505 -24.7515 15.9131 HAL2 5064 0 0 0 0.09 5069 5067 C11 SLES 1 -31.7766 -22.8522 16.7347 CTL2 5064 5068 5069 5070 -0.18 5070 5068 H11 SLES 1 -32.3234 -21.9423 17.0751 HAL2 5067 0 0 0 0.09 5071 5069 H11 SLES 1 -31.2472 -23.3011 17.6069 HAL2 5067 0 0 0 0.09 5072 5070 C12 SLES 1 -30.8189 -22.5444 15.5801 CTL3 5067 5071 5072 5073 -0.27 5073 5071 H12 SLES 1 -30.8713 -21.4694 15.32 HAL3 5070 0 0 0 0.09 5074 5072 H12 SLES 1 -29.7869 -22.8377 15.8547 HAL3 5070 0 0 0 0.09 5075 5073 H12 SLES 1 -31.0751 -23.111 14.6512 HAL3 5070 0 0 0 0.09 5076 5074 NA SLES 1 -38.6264 -46.5604 21.0472 NA 0 0 0 0 1 5077 5075 S SLES 1 -38.1377 -46.1159 18.0913 SL 5076 5077 5078 5079 1.33 5078 5076 OS1 SLES 1 -37.3144 -45.099 18.7676 OSL 5075 5080 0 0 -0.28 5079 5077 OS2 SLES 1 -39.3311 -45.6239 18.7427 O2L 5075 0 0 0 -0.65 5080 5078 OS3 SLES 1 -37.4523 -47.1785 18.79 O2L 5075 0 0 0 -0.65 5081 5079 OS4 SLES 1 -37.9505 -45.9308 16.6797 O2L 5075 0 0 0 -0.65 5082 5080 C2 SLES 1 -36.4822 -44.1707 18.196 CC32A 5076 5081 5082 5083 -0.11 5083 5081 H2A SLES 1 -37.0559 -43.4891 17.5138 HCA2 5080 0 0 0 0.09 5084 5082 H2B SLES 1 -35.6559 -44.6709 17.6246 HCA2 5080 0 0 0 0.09 5085 5083 C1 SLES 1 -35.945 -43.415 19.4305 CC32A 5080 5084 5085 5086 -0.01 5086 5084 H1B SLES 1 -36.7829 -42.9476 20.0101 HCA2 5083 0 0 0 0.09 5087 5085 H1A SLES 1 -35.3838 -44.1057 20.1066 HCA2 5083 0 0 0 0.09 5088 5086 O1 SLES 1 -35.0519 -42.3668 19.2364 OC30A 5083 5087 0 0 -0.34 5089 5087 C2 SLES 1 -34.697 -42.0334 17.9068 CC32A 5086 5088 5089 5090 -0.01 5090 5088 H2A SLES 1 -35.613 -41.7456 17.3155 HCA2 5087 0 0 0 0.09 5091 5089 H2B SLES 1 -34.201 -42.8902 17.3935 HCA2 5087 0 0 0 0.09 5092 5090 C1 SLES 1 -33.9182 -40.8091 18.5112 CC32A 5087 5091 5092 5093 -0.01 5093 5091 H1B SLES 1 -34.5573 -40.1163 17.9479 HCA2 5090 0 0 0 0.09 5094 5092 H1A SLES 1 -33.0323 -41.4026 18.0808 HCA2 5090 0 0 0 0.09 5095 5093 O1 SLES 1 -32.8865 -39.885 18.7423 OC30A 5090 5094 0 0 -0.34 5096 5094 C1 SLES 1 -32.3729 -39.1622 17.6325 CTL2 5093 5095 5096 5097 -0.18 5097 5095 H11 SLES 1 -33.1371 -38.7015 16.9462 HAL2 5094 0 0 0 0.09 5098 5096 H12 SLES 1 -31.7236 -39.8223 17.0039 HAL2 5094 0 0 0 0.09 5099 5097 C2 SLES 1 -31.5705 -38.1001 18.383 CTL2 5094 5098 5099 5100 -0.18 5100 5098 H21 SLES 1 -32.2061 -37.394 18.9696 HAL2 5097 0 0 0 0.09 5101 5099 H22 SLES 1 -30.7925 -38.5338 19.0574 HAL2 5097 0 0 0 0.09 5102 5100 C3 SLES 1 -30.902 -37.3617 17.2949 CTL2 5097 5101 5102 5103 -0.18 5103 5101 H31 SLES 1 -31.7396 -36.9601 16.662 HAL2 5100 0 0 0 0.09 5104 5102 H32 SLES 1 -30.2917 -38.1354 16.752 HAL2 5100 0 0 0 0.09 5105 5103 C4 SLES 1 -29.9862 -36.2165 17.5829 CTL2 5100 5104 5105 5106 -0.18 5106 5104 H41 SLES 1 -30.5188 -35.395 18.1225 HAL2 5103 0 0 0 0.09 5107 5105 H42 SLES 1 -29.1202 -36.5355 18.2092 HAL2 5103 0 0 0 0.09 5108 5106 C5 SLES 1 -29.614 -35.8701 16.135 CTL2 5103 5107 5108 5109 -0.18 5109 5107 H51 SLES 1 -30.5342 -35.6301 15.5387 HAL2 5106 0 0 0 0.09 5110 5108 H52 SLES 1 -29.1518 -36.7561 15.6253 HAL2 5106 0 0 0 0.09 5111 5109 C6 SLES 1 -28.6885 -34.7494 15.933 CTL2 5106 5110 5111 5112 -0.18 5112 5110 H61 SLES 1 -29.2139 -34.0273 15.2508 HAL2 5109 0 0 0 0.09 5113 5111 H62 SLES 1 -27.8274 -35.1563 15.3378 HAL2 5109 0 0 0 0.09 5114 5112 C7 SLES 1 -28.1827 -34.0325 17.1907 CTL2 5109 5113 5114 5115 -0.18 5115 5113 H71 SLES 1 -28.9867 -33.5368 17.7844 HAL2 5112 0 0 0 0.09 5116 5114 H72 SLES 1 -27.583 -34.6798 17.8721 HAL2 5112 0 0 0 0.09 5117 5115 C8 SLES 1 -27.3143 -33.0139 16.546 CTL2 5112 5116 5117 5118 -0.18 5118 5116 H81 SLES 1 -27.9801 -32.4173 15.8613 HAL2 5115 0 0 0 0.09 5119 5117 H82 SLES 1 -26.5468 -33.5855 15.9504 HAL2 5115 0 0 0 0.09 5120 5118 C9 SLES 1 -26.5638 -32.0295 17.3734 CTL2 5115 5119 5120 5121 -0.18 5121 5119 H91 SLES 1 -27.2704 -31.4123 17.9721 HAL2 5118 0 0 0 0.09 5122 5120 H92 SLES 1 -25.8641 -32.558 18.0592 HAL2 5118 0 0 0 0.09 5123 5121 C10 SLES 1 -25.8517 -31.2391 16.2775 CTL2 5118 5122 5123 5124 -0.18 5124 5122 H10 SLES 1 -26.6075 -30.7925 15.5763 HAL2 5121 0 0 0 0.09 5125 5123 H10 SLES 1 -25.2117 -31.9295 15.6633 HAL2 5121 0 0 0 0.09 5126 5124 C11 SLES 1 -24.9776 -30.1291 16.7635 CTL2 5121 5125 5126 5127 -0.18 5127 5125 H11 SLES 1 -25.62 -29.435 17.3539 HAL2 5124 0 0 0 0.09 5128 5126 H11 SLES 1 -24.216 -30.5789 17.4419 HAL2 5124 0 0 0 0.09 5129 5127 C12 SLES 1 -24.3334 -29.4294 15.5633 CTL3 5124 5128 5129 5130 -0.27 5130 5128 H12 SLES 1 -24.6453 -28.3675 15.5309 HAL3 5127 0 0 0 0.09 5131 5129 H12 SLES 1 -23.231 -29.5191 15.6187 HAL3 5127 0 0 0 0.09 5132 5130 H12 SLES 1 -24.6419 -29.8832 14.5895 HAL3 5127 0 0 0 0.09 5133 5131 NA SLES 1 -25.3692 -54.9286 21.0035 NA 0 0 0 0 1 5134 5132 S SLES 1 -25.6457 -54.0661 18.1132 SL 5133 5134 5135 5136 1.33 5135 5133 OS1 SLES 1 -24.9127 -52.9685 18.7667 OSL 5132 5137 0 0 -0.28 5136 5134 OS2 SLES 1 -26.7387 -53.932 19.0501 O2L 5132 0 0 0 -0.65 5137 5135 OS3 SLES 1 -24.6249 -55.0147 18.4947 O2L 5132 0 0 0 -0.65 5138 5136 OS4 SLES 1 -25.8163 -53.6911 16.7376 O2L 5132 0 0 0 -0.65 5139 5137 C2 SLES 1 -24.4298 -51.8188 18.1955 CC32A 5133 5138 5139 5140 -0.11 5140 5138 H2A SLES 1 -25.2643 -51.2155 17.7498 HCA2 5137 0 0 0 0.09 5141 5139 H2B SLES 1 -23.6678 -52.0531 17.4056 HCA2 5137 0 0 0 0.09 5142 5140 C1 SLES 1 -23.7944 -51.0996 19.4048 CC32A 5137 5141 5142 5143 -0.01 5143 5141 H1B SLES 1 -24.559 -50.9006 20.1998 HCA2 5140 0 0 0 0.09 5144 5142 H1A SLES 1 -22.9713 -51.714 19.8456 HCA2 5140 0 0 0 0.09 5145 5143 O1 SLES 1 -23.1937 -49.8611 19.2062 OC30A 5140 5144 0 0 -0.34 5146 5144 C2 SLES 1 -23.2156 -49.3134 17.9007 CC32A 5143 5145 5146 5147 -0.01 5147 5145 H2A SLES 1 -24.2783 -49.1788 17.5483 HCA2 5144 0 0 0 0.09 5148 5146 H2B SLES 1 -22.6851 -49.974 17.1757 HCA2 5144 0 0 0 0.09 5149 5147 C1 SLES 1 -22.5824 -48.0172 18.525 CC32A 5144 5148 5149 5150 -0.01 5150 5148 H1B SLES 1 -23.4552 -47.4308 18.2088 HCA2 5147 0 0 0 0.09 5151 5149 H1A SLES 1 -21.7137 -48.3435 17.8459 HCA2 5147 0 0 0 0.09 5152 5150 O1 SLES 1 -21.7305 -46.9136 18.6927 OC30A 5147 5151 0 0 -0.34 5153 5151 C1 SLES 1 -21.63 -45.9768 17.6295 CTL2 5150 5152 5153 5154 -0.18 5154 5152 H11 SLES 1 -22.6032 -45.63 17.1825 HAL2 5151 0 0 0 0.09 5155 5153 H12 SLES 1 -21.0177 -46.3998 16.7937 HAL2 5151 0 0 0 0.09 5156 5154 C2 SLES 1 -20.9096 -44.8481 18.3659 CTL2 5151 5155 5156 5157 -0.18 5157 5155 H21 SLES 1 -21.5272 -44.373 19.1656 HAL2 5154 0 0 0 0.09 5158 5156 H22 SLES 1 -19.9311 -45.1643 18.8028 HAL2 5154 0 0 0 0.09 5159 5157 C3 SLES 1 -20.6594 -43.8634 17.2964 CTL2 5154 5158 5159 5160 -0.18 5160 5158 H31 SLES 1 -21.6792 -43.5963 16.9063 HAL2 5157 0 0 0 0.09 5161 5159 H32 SLES 1 -20.0428 -44.4145 16.5336 HAL2 5157 0 0 0 0.09 5162 5160 C4 SLES 1 -19.9497 -42.5783 17.5756 CTL2 5157 5161 5162 5163 -0.18 5163 5161 H41 SLES 1 -20.5025 -41.963 18.3276 HAL2 5160 0 0 0 0.09 5164 5162 H42 SLES 1 -18.9208 -42.7583 17.9666 HAL2 5160 0 0 0 0.09 5165 5163 C5 SLES 1 -19.9839 -42.0011 16.1541 CTL2 5160 5164 5165 5166 -0.18 5166 5164 H51 SLES 1 -21.0422 -41.9132 15.7904 HAL2 5163 0 0 0 0.09 5167 5165 H52 SLES 1 -19.4789 -42.6982 15.4347 HAL2 5163 0 0 0 0.09 5168 5166 C6 SLES 1 -19.3685 -40.6843 15.9527 CTL2 5163 5167 5168 5169 -0.18 5169 5167 H61 SLES 1 -20.165 -40.0308 15.504 HAL2 5166 0 0 0 0.09 5170 5168 H62 SLES 1 -18.5972 -40.8177 15.1474 HAL2 5166 0 0 0 0.09 5171 5169 C7 SLES 1 -18.7501 -40.0123 17.1846 CTL2 5166 5170 5171 5172 -0.18 5172 5170 H71 SLES 1 -19.485 -39.7797 17.9911 HAL2 5169 0 0 0 0.09 5173 5171 H72 SLES 1 -17.8978 -40.5764 17.6297 HAL2 5169 0 0 0 0.09 5174 5172 C8 SLES 1 -18.2669 -38.7591 16.5495 CTL2 5169 5173 5174 5175 -0.18 5175 5173 H81 SLES 1 -19.173 -38.2586 16.106 HAL2 5172 0 0 0 0.09 5176 5174 H82 SLES 1 -17.5522 -39.0731 15.7364 HAL2 5172 0 0 0 0.09 5177 5175 C9 SLES 1 -17.5635 -37.7258 17.3584 CTL2 5172 5176 5177 5178 -0.18 5178 5176 H91 SLES 1 -18.2285 -37.3542 18.1698 HAL2 5175 0 0 0 0.09 5179 5177 H92 SLES 1 -16.6384 -38.1528 17.8069 HAL2 5175 0 0 0 0.09 5180 5178 C10 SLES 1 -17.2839 -36.68 16.281 CTL2 5175 5179 5180 5181 -0.18 5181 5179 H10 SLES 1 -18.2495 -36.3433 15.8158 HAL2 5178 0 0 0 0.09 5182 5180 H10 SLES 1 -16.6713 -37.1359 15.4562 HAL2 5178 0 0 0 0.09 5183 5181 C11 SLES 1 -16.563 -35.46 16.7547 CTL2 5178 5182 5183 5184 -0.18 5184 5182 H11 SLES 1 -17.184 -34.9984 17.5574 HAL2 5181 0 0 0 0.09 5185 5183 H11 SLES 1 -15.5962 -35.7959 17.1961 HAL2 5181 0 0 0 0.09 5186 5184 C12 SLES 1 -16.3533 -34.5061 15.5753 CTL3 5181 5185 5186 5187 -0.27 5187 5185 H12 SLES 1 -16.8698 -33.5457 15.7675 HAL3 5184 0 0 0 0.09 5188 5186 H12 SLES 1 -15.2708 -34.3484 15.4028 HAL3 5184 0 0 0 0.09 5189 5187 H12 SLES 1 -16.7729 -34.9095 14.621 HAL3 5184 0 0 0 0.09 5190 5188 NA SLES 1 -10.4359 -59.6256 20.8339 NA 0 0 0 0 1 5191 5189 S SLES 1 -11.5721 -58.7022 18.1823 SL 5190 5191 5192 5193 1.33 5192 5190 OS1 SLES 1 -10.9431 -57.5032 18.7621 OSL 5189 5194 0 0 -0.28 5193 5191 OS2 SLES 1 -12.4103 -58.8616 19.3497 O2L 5189 0 0 0 -0.65 5194 5192 OS3 SLES 1 -10.3179 -59.4179 18.2265 O2L 5189 0 0 0 -0.65 5195 5193 OS4 SLES 1 -12.1427 -58.3059 16.9256 O2L 5189 0 0 0 -0.65 5196 5194 C2 SLES 1 -10.8577 -56.2478 18.2164 CC32A 5190 5195 5196 5197 -0.11 5197 5195 H2A SLES 1 -11.8801 -55.8236 18.0332 HCA2 5194 0 0 0 0.09 5198 5196 H2B SLES 1 -10.2776 -56.2668 17.2558 HCA2 5194 0 0 0 0.09 5199 5197 C1 SLES 1 -10.1097 -55.4669 19.3184 CC32A 5194 5198 5199 5200 -0.01 5200 5198 H1B SLES 1 -10.6838 -55.4831 20.2809 HCA2 5197 0 0 0 0.09 5201 5199 H1A SLES 1 -9.09698 -55.9042 19.4983 HCA2 5197 0 0 0 0.09 5202 5200 O1 SLES 1 -9.84068 -54.1175 19.1163 OC30A 5197 5201 0 0 -0.34 5203 5201 C2 SLES 1 -10.2886 -53.5236 17.9115 CC32A 5200 5202 5203 5204 -0.01 5204 5202 H2A SLES 1 -11.4092 -53.6111 17.8226 HCA2 5201 0 0 0 0.09 5205 5203 H2B SLES 1 -9.82537 -54.0124 17.0227 HCA2 5201 0 0 0 0.09 5206 5204 C1 SLES 1 -9.80181 -52.1521 18.5055 CC32A 5201 5205 5206 5207 -0.01 5207 5205 H1B SLES 1 -10.8259 -51.7593 18.4547 HCA2 5204 0 0 0 0.09 5208 5206 H1A SLES 1 -9.07498 -52.2425 17.619 HCA2 5204 0 0 0 0.09 5209 5207 O1 SLES 1 -9.17848 -50.8964 18.5882 OC30A 5204 5208 0 0 -0.34 5210 5208 C1 SLES 1 -9.53107 -49.9086 17.6302 CTL2 5207 5209 5210 5211 -0.18 5211 5209 H11 SLES 1 -10.6331 -49.765 17.451 HAL2 5208 0 0 0 0.09 5212 5210 H12 SLES 1 -9.06567 -50.1424 16.6397 HAL2 5208 0 0 0 0.09 5213 5211 C2 SLES 1 -8.90036 -48.6865 18.2963 CTL2 5208 5212 5213 5214 -0.18 5214 5212 H21 SLES 1 -9.39022 -48.4013 19.2582 HAL2 5211 0 0 0 0.09 5215 5213 H22 SLES 1 -7.80201 -48.7987 18.4677 HAL2 5211 0 0 0 0.09 5216 5214 C3 SLES 1 -9.12234 -47.6183 17.3033 CTL2 5211 5215 5216 5217 -0.18 5217 5215 H31 SLES 1 -10.2385 -47.5655 17.1815 HAL2 5214 0 0 0 0.09 5218 5216 H32 SLES 1 -8.60895 -47.9795 16.3696 HAL2 5214 0 0 0 0.09 5219 5217 C4 SLES 1 -8.64399 -46.2233 17.5445 CTL2 5214 5218 5219 5220 -0.18 5220 5218 H41 SLES 1 -9.11249 -45.7848 18.4599 HAL2 5217 0 0 0 0.09 5221 5219 H42 SLES 1 -7.53674 -46.1894 17.6739 HAL2 5217 0 0 0 0.09 5222 5220 C5 SLES 1 -9.13754 -45.5976 16.233 CTL2 5217 5221 5222 5223 -0.18 5223 5221 H51 SLES 1 -10.2473 -45.7291 16.1274 HAL2 5220 0 0 0 0.09 5224 5222 H52 SLES 1 -8.68981 -46.1279 15.3517 HAL2 5220 0 0 0 0.09 5225 5223 C6 SLES 1 -8.87121 -44.1685 16.0329 CTL2 5220 5224 5225 5226 -0.18 5226 5224 H61 SLES 1 -9.86863 -43.6867 15.8433 HAL2 5223 0 0 0 0.09 5227 5225 H62 SLES 1 -8.30668 -44.0865 15.0655 HAL2 5223 0 0 0 0.09 5228 5226 C7 SLES 1 -8.12435 -43.4385 17.1558 CTL2 5223 5227 5228 5229 -0.18 5229 5227 H71 SLES 1 -8.67435 -43.4159 18.1262 HAL2 5226 0 0 0 0.09 5230 5228 H72 SLES 1 -7.09313 -43.8206 17.3384 HAL2 5226 0 0 0 0.09 5231 5229 C8 SLES 1 -8.07517 -42.0789 16.5586 CTL2 5226 5230 5231 5232 -0.18 5232 5230 H81 SLES 1 -9.14404 -41.7709 16.3832 HAL2 5229 0 0 0 0.09 5233 5231 H82 SLES 1 -7.5293 -42.185 15.5782 HAL2 5229 0 0 0 0.09 5234 5232 C9 SLES 1 -7.42356 -40.957 17.2891 CTL2 5229 5233 5234 5235 -0.18 5235 5233 H91 SLES 1 -7.93446 -40.7838 18.2625 HAL2 5232 0 0 0 0.09 5236 5234 H92 SLES 1 -6.3505 -41.1896 17.4725 HAL2 5232 0 0 0 0.09 5237 5235 C10 SLES 1 -7.63199 -39.8226 16.288 CTL2 5232 5236 5237 5238 -0.18 5238 5236 H10 SLES 1 -8.72916 -39.6861 16.0884 HAL2 5235 0 0 0 0.09 5239 5237 H10 SLES 1 -7.15684 -40.0888 15.3048 HAL2 5235 0 0 0 0.09 5240 5238 C11 SLES 1 -7.08289 -38.4981 16.7086 CTL2 5235 5239 5240 5241 -0.18 5241 5239 H11 SLES 1 -7.5724 -38.227 17.6729 HAL2 5238 0 0 0 0.09 5242 5240 H11 SLES 1 -5.9905 -38.6324 16.885 HAL2 5238 0 0 0 0.09 5243 5241 C12 SLES 1 -7.36343 -37.4635 15.6151 CTL3 5238 5242 5243 5244 -0.27 5244 5242 H12 SLES 1 -8.00314 -36.6529 16.0148 HAL3 5241 0 0 0 0.09 5245 5243 H12 SLES 1 -6.4103 -37.0606 15.2206 HAL3 5241 0 0 0 0.09 5246 5244 H12 SLES 1 -7.90951 -37.9017 14.7438 HAL3 5241 0 0 0 0.09 5247 5245 NA SLES 1 5.15275 -60.358 20.549 NA 0 0 0 0 1 5248 5246 S SLES 1 3.22976 -59.7311 18.2944 SL 5247 5248 5249 5250 1.33 5249 5247 OS1 SLES 1 3.71414 -58.4183 18.754 OSL 5246 5251 0 0 -0.28 5250 5248 OS2 SLES 1 2.75821 -60.0539 19.6226 O2L 5246 0 0 0 -0.65 5251 5249 OS3 SLES 1 4.57822 -60.1596 18.0022 O2L 5246 0 0 0 -0.65 5252 5250 OS4 SLES 1 2.29678 -59.4813 17.2318 O2L 5246 0 0 0 -0.65 5253 5251 C2 SLES 1 3.39521 -57.1803 18.2574 CC32A 5247 5252 5253 5254 -0.11 5254 5252 H2A SLES 1 2.29334 -56.9881 18.3462 HCA2 5251 0 0 0 0.09 5255 5253 H2B SLES 1 3.7113 -57.085 17.1847 HCA2 5251 0 0 0 0.09 5256 5254 C1 SLES 1 4.2091 -56.2442 19.1766 CC32A 5251 5255 5256 5257 -0.01 5257 5255 H1B SLES 1 3.9066 -56.3725 20.2482 HCA2 5254 0 0 0 0.09 5258 5256 H1A SLES 1 5.30374 -56.4512 19.0864 HCA2 5254 0 0 0 0.09 5259 5257 O1 SLES 1 4.12861 -54.8709 18.9723 OC30A 5254 5258 0 0 -0.34 5260 5258 C2 SLES 1 3.28267 -54.4011 17.9387 CC32A 5257 5259 5260 5261 -0.01 5261 5259 H2A SLES 1 2.21924 -54.7287 18.1211 HCA2 5258 0 0 0 0.09 5262 5260 H2B SLES 1 3.60516 -54.7889 16.9441 HCA2 5258 0 0 0 0.09 5263 5261 C1 SLES 1 3.59954 -52.9502 18.4539 CC32A 5258 5262 5263 5264 -0.01 5264 5262 H1B SLES 1 2.53536 -52.7877 18.6701 HCA2 5261 0 0 0 0.09 5265 5263 H1A SLES 1 4.08776 -52.8923 17.4144 HCA2 5261 0 0 0 0.09 5266 5264 O1 SLES 1 3.94414 -51.589 18.4357 OC30A 5261 5265 0 0 -0.34 5267 5265 C1 SLES 1 3.16587 -50.7112 17.6346 CTL2 5264 5266 5267 5268 -0.18 5268 5266 H11 SLES 1 2.04897 -50.8102 17.7347 HAL2 5265 0 0 0 0.09 5269 5267 H12 SLES 1 3.41149 -50.8507 16.5517 HAL2 5265 0 0 0 0.09 5270 5268 C2 SLES 1 3.66822 -49.3745 18.1784 CTL2 5265 5269 5270 5271 -0.18 5271 5269 H21 SLES 1 3.38157 -49.1904 19.2417 HAL2 5268 0 0 0 0.09 5272 5270 H22 SLES 1 4.77305 -49.2457 18.0729 HAL2 5268 0 0 0 0.09 5273 5271 C3 SLES 1 2.98791 -48.3905 17.3151 CTL2 5268 5272 5273 5274 -0.18 5274 5272 H31 SLES 1 1.89104 -48.5805 17.4705 HAL2 5271 0 0 0 0.09 5275 5273 H32 SLES 1 3.31985 -48.6434 16.2703 HAL2 5271 0 0 0 0.09 5276 5274 C4 SLES 1 3.20495 -46.9226 17.4915 CTL2 5271 5275 5276 5277 -0.18 5277 5275 H41 SLES 1 2.89463 -46.5848 18.511 HAL2 5274 0 0 0 0.09 5278 5276 H42 SLES 1 4.27697 -46.6497 17.3493 HAL2 5274 0 0 0 0.09 5279 5277 C5 SLES 1 2.28282 -46.4328 16.3669 CTL2 5274 5278 5279 5280 -0.18 5280 5278 H51 SLES 1 1.23491 -46.8012 16.5286 HAL2 5277 0 0 0 0.09 5281 5279 H52 SLES 1 2.60129 -46.8643 15.3816 HAL2 5277 0 0 0 0.09 5282 5280 C6 SLES 1 2.18342 -44.9822 16.1686 CTL2 5277 5281 5282 5283 -0.18 5283 5281 H61 SLES 1 1.09149 -44.7286 16.2475 HAL2 5280 0 0 0 0.09 5284 5282 H62 SLES 1 2.46176 -44.7917 15.0974 HAL2 5280 0 0 0 0.09 5285 5283 C7 SLES 1 3.01218 -44.0958 17.1062 CTL2 5280 5284 5285 5286 -0.18 5286 5284 H71 SLES 1 2.72622 -44.1811 18.1811 HAL2 5283 0 0 0 0.09 5287 5285 H72 SLES 1 4.1133 -44.2449 17.0164 HAL2 5283 0 0 0 0.09 5288 5286 C8 SLES 1 2.62425 -42.7645 16.5728 CTL2 5283 5287 5288 5289 -0.18 5289 5287 H81 SLES 1 1.50494 -42.6957 16.6755 HAL2 5286 0 0 0 0.09 5290 5288 H82 SLES 1 2.92147 -42.7617 15.4856 HAL2 5286 0 0 0 0.09 5291 5289 C9 SLES 1 3.18341 -41.5204 17.1698 CTL2 5286 5290 5291 5292 -0.18 5292 5290 H91 SLES 1 2.90337 -41.45 18.2446 HAL2 5289 0 0 0 0.09 5293 5291 H92 SLES 1 4.29272 -41.5144 17.077 HAL2 5289 0 0 0 0.09 5294 5292 C10 SLES 1 2.49992 -40.4688 16.2981 CTL2 5289 5293 5294 5295 -0.18 5295 5293 H10 SLES 1 1.38413 -40.574 16.377 HAL2 5292 0 0 0 0.09 5296 5294 H10 SLES 1 2.76342 -40.6378 15.2186 HAL2 5292 0 0 0 0.09 5297 5295 C11 SLES 1 2.84298 -39.0526 16.6282 CTL2 5292 5296 5297 5298 -0.18 5298 5296 H11 SLES 1 2.56022 -38.8822 17.6931 HAL2 5295 0 0 0 0.09 5299 5297 H11 SLES 1 3.94807 -38.9465 16.5281 HAL2 5295 0 0 0 0.09 5300 5298 C12 SLES 1 2.08962 -38.1151 15.6803 CTL3 5295 5299 5300 5301 -0.27 5301 5299 H12 SLES 1 1.41167 -37.4566 16.2573 HAL3 5298 0 0 0 0.09 5302 5300 H12 SLES 1 2.80881 -37.521 15.0834 HAL3 5298 0 0 0 0.09 5303 5301 H12 SLES 1 1.45106 -38.6704 14.9501 HAL3 5298 0 0 0 0.09 5304 5302 NA SLES 1 20.3459 -57.1212 20.1668 NA 0 0 0 0 1 5305 5303 S SLES 1 17.8564 -57.0719 18.4423 SL 5304 5305 5306 5307 1.33 5306 5304 OS1 SLES 1 18.136 -55.6575 18.743 OSL 5303 5308 0 0 -0.28 5307 5305 OS2 SLES 1 17.7937 -57.3886 19.8517 O2L 5303 0 0 0 -0.65 5308 5306 OS3 SLES 1 19.1581 -57.2311 17.836 O2L 5303 0 0 0 -0.65 5309 5307 OS4 SLES 1 16.6679 -57.0988 17.637 O2L 5303 0 0 0 -0.65 5310 5308 C2 SLES 1 17.4458 -54.5518 18.3159 CC32A 5304 5309 5310 5311 -0.11 5311 5309 H2A SLES 1 16.3814 -54.5867 18.6691 HCA2 5308 0 0 0 0.09 5312 5310 H2B SLES 1 17.4713 -54.4708 17.1968 HCA2 5308 0 0 0 0.09 5313 5311 C1 SLES 1 18.2282 -53.4032 18.9884 CC32A 5308 5312 5313 5314 -0.01 5314 5312 H1B SLES 1 18.2225 -53.5137 20.1038 HCA2 5311 0 0 0 0.09 5315 5313 H1A SLES 1 19.2887 -53.3844 18.6359 HCA2 5311 0 0 0 0.09 5316 5314 O1 SLES 1 17.8031 -52.095 18.7834 OC30A 5311 5315 0 0 -0.34 5317 5315 C2 SLES 1 16.6556 -51.887 17.9804 CC32A 5314 5316 5317 5318 -0.01 5318 5316 H2A SLES 1 15.7634 -52.4142 18.425 HCA2 5315 0 0 0 0.09 5319 5317 H2B SLES 1 16.8114 -52.2704 16.9449 HCA2 5315 0 0 0 0.09 5320 5318 C1 SLES 1 16.7594 -50.3686 18.3735 CC32A 5315 5319 5320 5321 -0.01 5321 5319 H1B SLES 1 15.7672 -50.4153 18.8414 HCA2 5318 0 0 0 0.09 5322 5320 H1A SLES 1 16.9639 -50.2859 17.2449 HCA2 5318 0 0 0 0.09 5323 5321 O1 SLES 1 16.7833 -48.9705 18.2445 OC30A 5318 5322 0 0 -0.34 5324 5322 C1 SLES 1 15.6654 -48.3337 17.6424 CTL2 5321 5323 5324 5325 -0.18 5325 5323 H11 SLES 1 14.6531 -48.6548 18.0159 HAL2 5322 0 0 0 0.09 5326 5324 H12 SLES 1 15.6732 -48.4971 16.5352 HAL2 5322 0 0 0 0.09 5327 5325 C2 SLES 1 15.9765 -46.886 18.0198 CTL2 5322 5326 5327 5328 -0.18 5328 5326 H21 SLES 1 15.9155 -46.6891 19.1171 HAL2 5325 0 0 0 0.09 5329 5327 H22 SLES 1 16.9696 -46.5387 17.6434 HAL2 5325 0 0 0 0.09 5330 5328 C3 SLES 1 14.9134 -46.1298 17.3311 CTL2 5325 5329 5330 5331 -0.18 5331 5329 H31 SLES 1 13.9531 -46.5316 17.7551 HAL2 5328 0 0 0 0.09 5332 5330 H32 SLES 1 15.0368 -46.3832 16.2419 HAL2 5328 0 0 0 0.09 5333 5331 C4 SLES 1 14.8391 -44.64 17.42 CTL2 5328 5332 5333 5334 -0.18 5334 5332 H41 SLES 1 14.7116 -44.3011 18.4777 HAL2 5331 0 0 0 0.09 5335 5333 H42 SLES 1 15.7608 -44.1615 17.0134 HAL2 5331 0 0 0 0.09 5336 5334 C5 SLES 1 13.5936 -44.4349 16.5472 CTL2 5331 5335 5336 5337 -0.18 5337 5335 H51 SLES 1 12.7202 -45.0002 16.9688 HAL2 5334 0 0 0 0.09 5338 5336 H52 SLES 1 13.7574 -44.861 15.5225 HAL2 5334 0 0 0 0.09 5339 5337 C6 SLES 1 13.1351 -43.0548 16.3512 CTL2 5334 5338 5339 5340 -0.18 5340 5338 H61 SLES 1 12.0643 -43.0284 16.6911 HAL2 5337 0 0 0 0.09 5341 5339 H62 SLES 1 13.1044 -42.8886 15.2409 HAL2 5337 0 0 0 0.09 5342 5340 C7 SLES 1 13.9468 -41.9502 17.0387 CTL2 5337 5341 5342 5343 -0.18 5343 5341 H71 SLES 1 13.9481 -42.015 18.1525 HAL2 5340 0 0 0 0.09 5344 5342 H72 SLES 1 15.0008 -41.8736 16.684 HAL2 5340 0 0 0 0.09 5345 5343 C8 SLES 1 13.1622 -40.7705 16.5912 CTL2 5340 5344 5345 5346 -0.18 5346 5344 H81 SLES 1 12.1116 -40.9284 16.9646 HAL2 5343 0 0 0 0.09 5347 5345 H82 SLES 1 13.1867 -40.7848 15.4644 HAL2 5343 0 0 0 0.09 5348 5346 C9 SLES 1 13.56 -39.3976 17.008 CTL2 5343 5347 5348 5349 -0.18 5349 5347 H91 SLES 1 13.5328 -39.3094 18.1171 HAL2 5346 0 0 0 0.09 5350 5348 H92 SLES 1 14.5871 -39.1683 16.6453 HAL2 5346 0 0 0 0.09 5351 5349 C10 SLES 1 12.4771 -38.5767 16.3107 CTL2 5346 5350 5351 5352 -0.18 5352 5350 H10 SLES 1 11.4622 -38.9052 16.6635 HAL2 5349 0 0 0 0.09 5353 5351 H10 SLES 1 12.5091 -38.765 15.203 HAL2 5349 0 0 0 0.09 5354 5352 C11 SLES 1 12.5696 -37.1 16.5186 CTL2 5349 5353 5354 5355 -0.18 5355 5353 H11 SLES 1 12.5156 -36.9155 17.6168 HAL2 5352 0 0 0 0.09 5356 5354 H11 SLES 1 13.5691 -36.7744 16.1479 HAL2 5352 0 0 0 0.09 5357 5355 C12 SLES 1 11.4276 -36.4104 15.7669 CTL3 5352 5356 5357 5358 -0.27 5358 5356 H12 SLES 1 10.7775 -35.8671 16.4798 HAL3 5355 0 0 0 0.09 5359 5357 H12 SLES 1 11.8377 -35.7248 15 HAL3 5355 0 0 0 0.09 5360 5358 H12 SLES 1 10.7724 -37.1376 15.227 HAL3 5355 0 0 0 0.09 5361 5359 NA SLES 1 34.1464 -50.1892 19.7113 NA 0 0 0 0 1 5362 5360 S SLES 1 31.4041 -50.8646 18.6168 SL 5361 5362 5363 5364 1.33 5363 5361 OS1 SLES 1 31.4148 -49.3962 18.7298 OSL 5360 5365 0 0 -0.28 5364 5362 OS2 SLES 1 31.7123 -51.0034 20.0226 O2L 5360 0 0 0 -0.65 5365 5363 OS3 SLES 1 32.5508 -50.8351 17.7384 O2L 5360 0 0 0 -0.65 5366 5364 OS4 SLES 1 30.1101 -51.2337 18.1157 O2L 5360 0 0 0 -0.65 5367 5365 C2 SLES 1 30.4195 -48.5165 18.3883 CC32A 5361 5366 5367 5368 -0.11 5368 5366 H2A SLES 1 29.489 -48.7193 18.9817 HCA2 5365 0 0 0 0.09 5369 5367 H2B SLES 1 30.1901 -48.5767 17.2913 HCA2 5365 0 0 0 0.09 5370 5368 C1 SLES 1 31.0466 -47.1571 18.7656 CC32A 5365 5369 5370 5371 -0.01 5371 5369 H1B SLES 1 31.3007 -47.122 19.8567 HCA2 5368 0 0 0 0.09 5372 5370 H1A SLES 1 31.9771 -46.9706 18.1752 HCA2 5368 0 0 0 0.09 5373 5371 O1 SLES 1 30.3045 -45.9987 18.5613 OC30A 5368 5372 0 0 -0.34 5374 5372 C2 SLES 1 28.9971 -46.1312 18.0341 CC32A 5371 5373 5374 5375 -0.01 5375 5373 H2A SLES 1 28.3606 -46.7656 18.7153 HCA2 5372 0 0 0 0.09 5376 5374 H2B SLES 1 29.0138 -46.6053 17.0249 HCA2 5372 0 0 0 0.09 5377 5375 C1 SLES 1 28.8366 -44.5853 18.2693 CC32A 5372 5376 5377 5378 -0.01 5378 5376 H1B SLES 1 28.0016 -44.7703 18.9579 HCA2 5375 0 0 0 0.09 5379 5377 H1A SLES 1 28.7751 -44.6091 17.1213 HCA2 5375 0 0 0 0.09 5380 5378 O1 SLES 1 28.5174 -43.2395 18.0268 OC30A 5375 5379 0 0 -0.34 5381 5379 C1 SLES 1 27.1838 -42.9237 17.653 CTL2 5378 5380 5381 5382 -0.18 5382 5380 H11 SLES 1 26.3717 -43.3914 18.2768 HAL2 5379 0 0 0 0.09 5383 5381 H12 SLES 1 26.9951 -43.2233 16.5913 HAL2 5379 0 0 0 0.09 5384 5382 C2 SLES 1 27.2332 -41.4068 17.8303 CTL2 5379 5383 5384 5385 -0.18 5385 5383 H21 SLES 1 27.3617 -41.0866 18.8922 HAL2 5382 0 0 0 0.09 5386 5384 H22 SLES 1 28.0206 -40.918 17.2061 HAL2 5382 0 0 0 0.09 5387 5385 C3 SLES 1 25.9067 -40.9752 17.3503 CTL2 5382 5386 5387 5388 -0.18 5388 5386 H31 SLES 1 25.1728 -41.5042 18.0173 HAL2 5385 0 0 0 0.09 5389 5387 H32 SLES 1 25.852 -41.3365 16.2863 HAL2 5385 0 0 0 0.09 5390 5388 C4 SLES 1 25.5193 -39.5321 17.3345 CTL2 5385 5389 5390 5391 -0.18 5391 5389 H41 SLES 1 25.5442 -39.0926 18.3622 HAL2 5388 0 0 0 0.09 5392 5390 H42 SLES 1 26.2029 -38.9342 16.6872 HAL2 5388 0 0 0 0.09 5393 5391 C5 SLES 1 24.1046 -39.696 16.7628 CTL2 5388 5392 5393 5394 -0.18 5394 5392 H51 SLES 1 23.4897 -40.3666 17.4203 HAL2 5391 0 0 0 0.09 5395 5393 H52 SLES 1 24.1408 -40.2087 15.7656 HAL2 5391 0 0 0 0.09 5396 5394 C6 SLES 1 23.3164 -38.4735 16.5692 CTL2 5391 5395 5396 5397 -0.18 5397 5395 H61 SLES 1 22.3633 -38.6197 17.1463 HAL2 5394 0 0 0 0.09 5398 5396 H62 SLES 1 23.0162 -38.4612 15.4871 HAL2 5394 0 0 0 0.09 5399 5397 C7 SLES 1 23.9845 -37.149 16.9578 CTL2 5394 5398 5399 5400 -0.18 5400 5398 H71 SLES 1 24.2346 -37.0683 18.042 HAL2 5397 0 0 0 0.09 5401 5399 H72 SLES 1 24.8954 -36.908 16.3621 HAL2 5397 0 0 0 0.09 5402 5400 C8 SLES 1 22.8783 -36.2191 16.6126 CTL2 5397 5401 5402 5403 -0.18 5403 5401 H81 SLES 1 21.9929 -36.5359 17.2322 HAL2 5400 0 0 0 0.09 5404 5402 H82 SLES 1 22.6678 -36.373 15.5161 HAL2 5400 0 0 0 0.09 5405 5403 C9 SLES 1 23.0352 -34.7522 16.8138 CTL2 5400 5404 5405 5406 -0.18 5406 5404 H91 SLES 1 23.2229 -34.5293 17.888 HAL2 5403 0 0 0 0.09 5407 5405 H92 SLES 1 23.8845 -34.3693 16.2044 HAL2 5403 0 0 0 0.09 5408 5406 C10 SLES 1 21.6736 -34.2629 16.325 CTL2 5403 5407 5408 5409 -0.18 5409 5407 H10 SLES 1 20.8563 -34.7409 16.9298 HAL2 5406 0 0 0 0.09 5410 5408 H10 SLES 1 21.5134 -34.5818 15.2591 HAL2 5406 0 0 0 0.09 5411 5409 C11 SLES 1 21.4728 -32.7836 16.3866 CTL2 5406 5410 5411 5412 -0.18 5412 5410 H11 SLES 1 21.6109 -32.4739 17.4488 HAL2 5409 0 0 0 0.09 5413 5411 H11 SLES 1 22.2724 -32.3139 15.7682 HAL2 5409 0 0 0 0.09 5414 5412 C12 SLES 1 20.0729 -32.4407 15.8693 CTL3 5409 5413 5414 5415 -0.27 5415 5413 H12 SLES 1 19.4821 -31.9523 16.6683 HAL3 5412 0 0 0 0.09 5416 5414 H12 SLES 1 20.1474 -31.791 14.9755 HAL3 5412 0 0 0 0.09 5417 5415 H12 SLES 1 19.4998 -33.3482 15.5571 HAL3 5412 0 0 0 0.09 5418 5416 NA SLES 1 45.6836 -40.08 19.2111 NA 0 0 0 0 1 5419 5417 S SLES 1 43.0221 -41.4681 18.8068 SL 5418 5419 5420 5421 1.33 5420 5418 OS1 SLES 1 42.7163 -40.0302 18.7151 OSL 5417 5422 0 0 -0.28 5421 5419 OS2 SLES 1 43.5905 -41.292 20.1246 O2L 5417 0 0 0 -0.65 5422 5420 OS3 SLES 1 43.9633 -41.3679 17.7153 O2L 5417 0 0 0 -0.65 5423 5421 OS4 SLES 1 41.7802 -42.1689 18.6379 O2L 5417 0 0 0 -0.65 5424 5422 C2 SLES 1 41.5028 -39.4398 18.47 CC32A 5418 5423 5424 5425 -0.11 5425 5423 H2A SLES 1 40.7594 -39.7146 19.2642 HCA2 5422 0 0 0 0.09 5426 5424 H2B SLES 1 41.1084 -39.7374 17.4623 HCA2 5422 0 0 0 0.09 5427 5425 C1 SLES 1 41.858 -37.9382 18.5221 CC32A 5422 5426 5427 5428 -0.01 5428 5426 H1B SLES 1 42.2809 -37.661 19.5225 HCA2 5425 0 0 0 0.09 5429 5427 H1A SLES 1 42.6057 -37.6786 17.733 HCA2 5425 0 0 0 0.09 5430 5428 O1 SLES 1 40.8472 -37.0046 18.3201 OC30A 5425 5429 0 0 -0.34 5431 5429 C2 SLES 1 39.534 -37.4847 18.0964 CC32A 5428 5430 5431 5432 -0.01 5432 5430 H2A SLES 1 39.186 -38.1018 18.9736 HCA2 5429 0 0 0 0.09 5433 5431 H2B SLES 1 39.485 -38.117 17.1792 HCA2 5429 0 0 0 0.09 5434 5432 C1 SLES 1 39.0675 -35.9845 18.1479 CC32A 5429 5433 5434 5435 -0.01 5435 5433 H1B SLES 1 38.4279 -36.2063 19.0123 HCA2 5432 0 0 0 0.09 5436 5434 H1A SLES 1 38.8168 -36.2227 17.0512 HCA2 5432 0 0 0 0.09 5437 5435 O1 SLES 1 38.4125 -34.7931 17.7962 OC30A 5432 5436 0 0 -0.34 5438 5436 C1 SLES 1 36.9982 -34.8191 17.6658 CTL2 5435 5437 5438 5439 -0.18 5439 5437 H11 SLES 1 36.434 -35.3204 18.501 HAL2 5436 0 0 0 0.09 5440 5438 H12 SLES 1 36.7035 -35.3331 16.7164 HAL2 5436 0 0 0 0.09 5441 5439 C2 SLES 1 36.7295 -33.3155 17.6218 CTL2 5436 5440 5441 5442 -0.18 5442 5440 H21 SLES 1 36.9618 -32.7935 18.5811 HAL2 5439 0 0 0 0.09 5443 5441 H22 SLES 1 37.2651 -32.7987 16.7886 HAL2 5439 0 0 0 0.09 5444 5442 C3 SLES 1 35.2773 -33.2471 17.3715 CTL2 5439 5443 5444 5445 -0.18 5445 5443 H31 SLES 1 34.8094 -33.7844 18.2408 HAL2 5442 0 0 0 0.09 5446 5444 H32 SLES 1 35.1246 -33.7946 16.4005 HAL2 5442 0 0 0 0.09 5447 5445 C4 SLES 1 34.5736 -31.9354 17.2404 CTL2 5442 5446 5447 5448 -0.18 5448 5446 H41 SLES 1 34.6736 -31.3249 18.1716 HAL2 5445 0 0 0 0.09 5449 5447 H42 SLES 1 34.9809 -31.3381 16.3912 HAL2 5445 0 0 0 0.09 5450 5448 C5 SLES 1 33.1572 -32.4749 16.9999 CTL2 5445 5449 5450 5451 -0.18 5451 5449 H51 SLES 1 32.834 -33.1268 17.8547 HAL2 5448 0 0 0 0.09 5452 5450 H52 SLES 1 33.1377 -33.1384 16.0956 HAL2 5448 0 0 0 0.09 5453 5451 C6 SLES 1 32.0894 -31.4867 16.809 CTL2 5448 5452 5453 5454 -0.18 5454 5452 H61 SLES 1 31.3085 -31.7143 17.5844 HAL2 5451 0 0 0 0.09 5455 5453 H62 SLES 1 31.613 -31.7258 15.8204 HAL2 5451 0 0 0 0.09 5456 5454 C7 SLES 1 32.4938 -30.0087 16.8685 CTL2 5451 5455 5456 5457 -0.18 5457 5455 H71 SLES 1 32.9012 -29.6895 17.8567 HAL2 5454 0 0 0 0.09 5458 5456 H72 SLES 1 33.2093 -29.7012 16.0708 HAL2 5454 0 0 0 0.09 5459 5457 C8 SLES 1 31.162 -29.3923 16.6358 CTL2 5454 5458 5459 5460 -0.18 5460 5458 H81 SLES 1 30.4923 -29.7635 17.4615 HAL2 5457 0 0 0 0.09 5461 5459 H82 SLES 1 30.8071 -29.7765 15.6373 HAL2 5457 0 0 0 0.09 5462 5460 C9 SLES 1 31.0118 -27.9115 16.5996 CTL2 5457 5461 5462 5463 -0.18 5463 5461 H91 SLES 1 31.3252 -27.4693 17.5717 HAL2 5460 0 0 0 0.09 5464 5462 H92 SLES 1 31.6335 -27.482 15.7821 HAL2 5460 0 0 0 0.09 5465 5463 C10 SLES 1 29.5112 -27.796 16.34 CTL2 5460 5464 5465 5466 -0.18 5466 5464 H10 SLES 1 28.9411 -28.3117 17.1593 HAL2 5463 0 0 0 0.09 5467 5465 H10 SLES 1 29.2475 -28.3238 15.3833 HAL2 5463 0 0 0 0.09 5468 5466 C11 SLES 1 28.9915 -26.3987 16.2406 CTL2 5463 5467 5468 5469 -0.18 5469 5467 H11 SLES 1 29.2355 -25.8849 17.1995 HAL2 5466 0 0 0 0.09 5470 5468 H11 SLES 1 29.5442 -25.8969 15.4129 HAL2 5466 0 0 0 0.09 5471 5469 C12 SLES 1 27.4828 -26.437 15.9811 CTL3 5466 5470 5471 5472 -0.27 5472 5470 H12 SLES 1 26.9423 -25.9418 16.811 HAL3 5469 0 0 0 0.09 5473 5471 H12 SLES 1 27.2522 -25.9541 15.0116 HAL3 5469 0 0 0 0.09 5474 5472 H12 SLES 1 27.0873 -27.4807 15.9196 HAL3 5469 0 0 0 0.09 5475 5473 NA SLES 1 54.2695 -27.5025 18.6977 NA 0 0 0 0 1 5476 5474 S SLES 1 51.9655 -29.4452 19.0006 SL 5475 5476 5477 5478 1.33 5477 5475 OS1 SLES 1 51.3312 -28.1504 18.6999 OSL 5474 5479 0 0 -0.28 5478 5476 OS2 SLES 1 52.6357 -28.8818 20.1512 O2L 5474 0 0 0 -0.65 5479 5477 OS3 SLES 1 52.7183 -29.3961 17.7684 O2L 5474 0 0 0 -0.65 5480 5478 OS4 SLES 1 50.905 -30.3983 19.1706 O2L 5474 0 0 0 -0.65 5481 5479 C2 SLES 1 49.9944 -27.8792 18.5558 CC32A 5475 5480 5481 5482 -0.11 5482 5480 H2A SLES 1 49.4361 -28.1196 19.4989 HCA2 5479 0 0 0 0.09 5483 5481 H2B SLES 1 49.558 -28.4579 17.699 HCA2 5479 0 0 0 0.09 5484 5482 C1 SLES 1 50.0016 -26.3613 18.2734 CC32A 5479 5483 5484 5485 -0.01 5485 5483 H1B SLES 1 50.4693 -25.798 19.1221 HCA2 5482 0 0 0 0.09 5486 5484 H1A SLES 1 50.5681 -26.1335 17.3373 HCA2 5482 0 0 0 0.09 5487 5485 O1 SLES 1 48.7877 -25.7125 18.0748 OC30A 5482 5486 0 0 -0.34 5488 5486 C2 SLES 1 47.6013 -26.4802 18.1635 CC32A 5485 5487 5488 5489 -0.01 5489 5487 H2A SLES 1 47.5131 -26.9518 19.1839 HCA2 5486 0 0 0 0.09 5490 5488 H2B SLES 1 47.5858 -27.2911 17.3981 HCA2 5486 0 0 0 0.09 5491 5489 C1 SLES 1 46.815 -25.127 18.0168 CC32A 5486 5490 5491 5492 -0.01 5492 5490 H1B SLES 1 46.3534 -25.2812 19.0011 HCA2 5489 0 0 0 0.09 5493 5491 H1A SLES 1 46.4929 -25.6395 17.039 HCA2 5489 0 0 0 0.09 5494 5492 O1 SLES 1 45.8677 -24.193 17.5672 OC30A 5489 5493 0 0 -0.34 5495 5493 C1 SLES 1 44.4915 -24.5266 17.6801 CTL2 5492 5494 5495 5496 -0.18 5496 5494 H11 SLES 1 44.1629 -24.9393 18.6746 HAL2 5493 0 0 0 0.09 5497 5495 H12 SLES 1 44.2078 -25.28 16.9027 HAL2 5493 0 0 0 0.09 5498 5496 C2 SLES 1 43.8837 -23.1513 17.4076 CTL2 5493 5497 5498 5499 -0.18 5499 5497 H21 SLES 1 44.1065 -22.4006 18.2034 HAL2 5496 0 0 0 0.09 5500 5498 H22 SLES 1 44.1814 -22.7291 16.4169 HAL2 5496 0 0 0 0.09 5501 5499 C3 SLES 1 42.4348 -23.4279 17.3933 CTL2 5496 5500 5501 5502 -0.18 5502 5500 H31 SLES 1 42.2116 -23.8487 18.4114 HAL2 5499 0 0 0 0.09 5503 5501 H32 SLES 1 42.2933 -24.1898 16.5776 HAL2 5499 0 0 0 0.09 5504 5502 C4 SLES 1 41.44 -22.3412 17.1435 CTL2 5499 5503 5504 5505 -0.18 5505 5503 H41 SLES 1 41.5113 -21.5381 17.9179 HAL2 5502 0 0 0 0.09 5506 5504 H42 SLES 1 41.5934 -21.8709 16.1439 HAL2 5502 0 0 0 0.09 5507 5505 C5 SLES 1 40.1654 -23.19 17.2438 CTL2 5502 5506 5507 5508 -0.18 5508 5506 H51 SLES 1 40.1064 -23.6946 18.2448 HAL2 5505 0 0 0 0.09 5509 5507 H52 SLES 1 40.1872 -24.0221 16.4918 HAL2 5505 0 0 0 0.09 5510 5508 C6 SLES 1 38.8853 -22.4978 17.0555 CTL2 5505 5509 5510 5511 -0.18 5511 5509 H61 SLES 1 38.2778 -22.7046 17.978 HAL2 5508 0 0 0 0.09 5512 5510 H62 SLES 1 38.3587 -23.0327 16.2201 HAL2 5508 0 0 0 0.09 5513 5511 C7 SLES 1 38.9462 -20.9911 16.7763 CTL2 5508 5512 5513 5514 -0.18 5514 5512 H71 SLES 1 39.388 -20.3933 17.6082 HAL2 5511 0 0 0 0.09 5515 5513 H72 SLES 1 39.4697 -20.7258 15.8285 HAL2 5511 0 0 0 0.09 5516 5514 C8 SLES 1 37.4908 -20.716 16.6591 CTL2 5511 5515 5516 5517 -0.18 5517 5515 H81 SLES 1 37.0296 -21.0272 17.6381 HAL2 5514 0 0 0 0.09 5518 5516 H82 SLES 1 37.1135 -21.3677 15.8204 HAL2 5514 0 0 0 0.09 5519 5517 C9 SLES 1 37.0038 -19.3373 16.3787 CTL2 5514 5518 5519 5520 -0.18 5520 5518 H91 SLES 1 37.3246 -18.644 17.1881 HAL2 5517 0 0 0 0.09 5521 5519 H92 SLES 1 37.4064 -18.978 15.405 HAL2 5517 0 0 0 0.09 5522 5520 C10 SLES 1 35.4962 -19.5804 16.3549 CTL2 5517 5521 5522 5523 -0.18 5523 5521 H10 SLES 1 35.1633 -20.0114 17.3376 HAL2 5520 0 0 0 0.09 5524 5522 H10 SLES 1 35.2447 -20.3424 15.5677 HAL2 5520 0 0 0 0.09 5525 5523 C11 SLES 1 34.6634 -18.3685 16.0897 CTL2 5520 5524 5525 5526 -0.18 5526 5524 H11 SLES 1 34.8993 -17.6233 16.8847 HAL2 5523 0 0 0 0.09 5527 5525 H11 SLES 1 34.9817 -17.956 15.1043 HAL2 5523 0 0 0 0.09 5528 5526 C12 SLES 1 33.1831 -18.7603 16.0954 CTL3 5523 5527 5528 5529 -0.27 5529 5527 H12 SLES 1 32.6496 -18.2163 16.8988 HAL3 5526 0 0 0 0.09 5530 5528 H12 SLES 1 32.7317 -18.5518 15.1058 HAL3 5526 0 0 0 0.09 5531 5529 H12 SLES 1 33.0315 -19.8502 16.2919 HAL3 5526 0 0 0 0.09 5532 5530 NA SLES 1 59.4324 -13.294 18.2032 NA 0 0 0 0 1 5533 5531 S SLES 1 57.6465 -15.5345 19.1858 SL 5532 5533 5534 5535 1.33 5534 5532 OS1 SLES 1 56.7202 -14.5046 18.6852 OSL 5531 5536 0 0 -0.28 5535 5533 OS2 SLES 1 58.2472 -14.5898 20.1009 O2L 5531 0 0 0 -0.65 5536 5534 OS3 SLES 1 58.2872 -15.6283 17.8942 O2L 5531 0 0 0 -0.65 5537 5535 OS4 SLES 1 56.8397 -16.6143 19.6806 O2L 5531 0 0 0 -0.65 5538 5536 C2 SLES 1 55.3502 -14.5521 18.6405 CC32A 5532 5537 5538 5539 -0.11 5539 5537 H2A SLES 1 54.9226 -14.6694 19.6712 HCA2 5536 0 0 0 0.09 5540 5538 H2B SLES 1 54.9994 -15.3941 17.9865 HCA2 5536 0 0 0 0.09 5541 5539 C1 SLES 1 54.9989 -13.176 18.035 CC32A 5536 5540 5541 5542 -0.01 5542 5540 H1B SLES 1 55.383 -12.3443 18.6808 HCA2 5539 0 0 0 0.09 5543 5541 H1A SLES 1 55.4378 -13.0674 17.0128 HCA2 5539 0 0 0 0.09 5544 5542 O1 SLES 1 53.6603 -12.853 17.8409 OC30A 5539 5543 0 0 -0.34 5545 5543 C2 SLES 1 52.6842 -13.8017 18.2309 CC32A 5542 5544 5545 5546 -0.01 5546 5544 H2A SLES 1 52.7706 -14.0248 19.3328 HCA2 5543 0 0 0 0.09 5547 5545 H2B SLES 1 52.8008 -14.7571 17.6678 HCA2 5543 0 0 0 0.09 5548 5546 C1 SLES 1 51.6071 -12.7105 17.8844 CC32A 5543 5547 5548 5549 -0.01 5549 5547 H1B SLES 1 51.257 -12.7164 18.9251 HCA2 5546 0 0 0 0.09 5550 5548 H1A SLES 1 51.3449 -13.4951 17.0856 HCA2 5546 0 0 0 0.09 5551 5549 O1 SLES 1 50.4475 -12.1222 17.3541 OC30A 5546 5550 0 0 -0.34 5552 5550 C1 SLES 1 49.1913 -12.6912 17.6949 CTL2 5549 5551 5552 5553 -0.18 5553 5551 H11 SLES 1 49.029 -12.9134 18.7865 HAL2 5550 0 0 0 0.09 5554 5552 H12 SLES 1 49.0333 -13.6493 17.1384 HAL2 5550 0 0 0 0.09 5555 5553 C2 SLES 1 48.2747 -11.5728 17.201 CTL2 5550 5554 5555 5556 -0.18 5556 5554 H21 SLES 1 48.3752 -10.6252 17.7829 HAL2 5553 0 0 0 0.09 5557 5555 H22 SLES 1 48.4049 -11.347 16.1145 HAL2 5553 0 0 0 0.09 5558 5556 C3 SLES 1 46.9266 -12.1327 17.4144 CTL2 5553 5557 5558 5559 -0.18 5559 5557 H31 SLES 1 46.8703 -12.3354 18.5185 HAL2 5556 0 0 0 0.09 5560 5558 H32 SLES 1 46.9064 -13.079 16.8062 HAL2 5556 0 0 0 0.09 5561 5559 C4 SLES 1 45.6997 -11.3614 17.05 CTL2 5556 5560 5561 5562 -0.18 5562 5560 H41 SLES 1 45.6398 -10.3999 17.6172 HAL2 5559 0 0 0 0.09 5563 5561 H42 SLES 1 45.6783 -11.1212 15.9611 HAL2 5559 0 0 0 0.09 5564 5562 C5 SLES 1 44.6567 -12.4022 17.4791 CTL2 5559 5563 5564 5565 -0.18 5565 5563 H51 SLES 1 44.7777 -12.6555 18.566 HAL2 5562 0 0 0 0.09 5566 5564 H52 SLES 1 44.8151 -13.367 16.9292 HAL2 5562 0 0 0 0.09 5567 5565 C6 SLES 1 43.2447 -12.0489 17.2932 CTL2 5562 5566 5567 5568 -0.18 5568 5566 H61 SLES 1 42.7604 -12.1491 18.3023 HAL2 5565 0 0 0 0.09 5569 5567 H62 SLES 1 42.7979 -12.8625 16.6609 HAL2 5565 0 0 0 0.09 5570 5568 C7 SLES 1 42.9485 -10.6718 16.6871 CTL2 5565 5569 5570 5571 -0.18 5571 5569 H71 SLES 1 43.2985 -9.81652 17.3121 HAL2 5568 0 0 0 0.09 5572 5570 H72 SLES 1 43.3363 -10.539 15.6504 HAL2 5568 0 0 0 0.09 5573 5571 C8 SLES 1 41.464 -10.7333 16.6812 CTL2 5568 5572 5573 5574 -0.18 5574 5572 H81 SLES 1 41.149 -10.8896 17.751 HAL2 5571 0 0 0 0.09 5575 5573 H82 SLES 1 41.1881 -11.6282 16.054 HAL2 5571 0 0 0 0.09 5576 5574 C9 SLES 1 40.6634 -9.58899 16.165 CTL2 5571 5575 5576 5577 -0.18 5577 5575 H91 SLES 1 40.873 -8.67295 16.7613 HAL2 5574 0 0 0 0.09 5578 5576 H92 SLES 1 40.911 -9.39768 15.0966 HAL2 5574 0 0 0 0.09 5579 5577 C10 SLES 1 39.2503 -10.1312 16.3686 CTL2 5574 5578 5579 5580 -0.18 5580 5578 H10 SLES 1 39.0871 -10.3744 17.4533 HAL2 5577 0 0 0 0.09 5581 5579 H10 SLES 1 39.1249 -11.0932 15.8009 HAL2 5577 0 0 0 0.09 5582 5580 C11 SLES 1 38.1519 -9.21188 15.9434 CTL2 5577 5581 5582 5583 -0.18 5583 5581 H11 SLES 1 38.2663 -8.26711 16.5242 HAL2 5580 0 0 0 0.09 5584 5582 H11 SLES 1 38.3047 -8.98988 14.8618 HAL2 5580 0 0 0 0.09 5585 5583 C12 SLES 1 36.8004 -9.88281 16.2049 CTL3 5580 5584 5585 5586 -0.27 5586 5584 H12 SLES 1 36.2123 -9.28312 16.9264 HAL3 5583 0 0 0 0.09 5587 5585 H12 SLES 1 36.2502 -10.0115 15.2524 HAL3 5583 0 0 0 0.09 5588 5586 H12 SLES 1 36.9098 -10.9021 16.6504 HAL3 5583 0 0 0 0.09 5589 5587 NA SLES 1 60.603 1.64418 1.75877 NA 0 0 0 0 1 5590 5588 S SLES 1 59.8049 -0.607557 3.62075 SL 5589 5590 5591 5592 1.33 5591 5589 OS1 SLES 1 58.5378 0.0495181 3.25739 OSL 5588 5593 0 0 -0.28 5592 5590 OS2 SLES 1 60.3387 0.637759 4.12559 O2L 5588 0 0 0 -0.65 5593 5591 OS3 SLES 1 60.0959 -0.880562 2.2322 O2L 5588 0 0 0 -0.65 5594 5592 OS4 SLES 1 59.4757 -1.67631 4.52144 O2L 5588 0 0 0 -0.65 5595 5593 C2 SLES 1 57.2679 -0.293442 3.64593 CC32A 5589 5594 5595 5596 -0.11 5596 5594 H2A SLES 1 57.1656 -0.239842 4.76199 HCA2 5593 0 0 0 0.09 5597 5595 H2B SLES 1 57.0046 -1.32482 3.29028 HCA2 5593 0 0 0 0.09 5598 5596 C1 SLES 1 56.4137 0.785828 2.94656 CC32A 5593 5597 5598 5599 -0.01 5599 5597 H1B SLES 1 56.7086 1.81251 3.28614 HCA2 5596 0 0 0 0.09 5600 5598 H1A SLES 1 56.531 0.728524 1.83653 HCA2 5596 0 0 0 0.09 5601 5599 O1 SLES 1 55.0341 0.763312 3.1208 OC30A 5596 5600 0 0 -0.34 5602 5600 C2 SLES 1 54.4855 -0.242648 3.95261 CC32A 5599 5601 5602 5603 -0.01 5603 5601 H2A SLES 1 54.907 -0.164001 4.9955 HCA2 5600 0 0 0 0.09 5604 5602 H2B SLES 1 54.7099 -1.26114 3.55777 HCA2 5600 0 0 0 0.09 5605 5603 C1 SLES 1 53.1011 0.478817 3.76898 CC32A 5600 5604 5605 5606 -0.01 5606 5604 H1B SLES 1 53.043 0.65649 4.85096 HCA2 5603 0 0 0 0.09 5607 5605 H1A SLES 1 52.8675 -0.515444 3.24054 HCA2 5603 0 0 0 0.09 5608 5606 O1 SLES 1 51.73 0.661847 3.52716 OC30A 5603 5607 0 0 -0.34 5609 5607 C1 SLES 1 50.8056 -0.0556061 4.3326 CTL2 5606 5608 5609 5610 -0.18 5610 5608 H11 SLES 1 50.9935 -0.0306716 5.44226 HAL2 5607 0 0 0 0.09 5611 5609 H12 SLES 1 50.7777 -1.13244 4.02906 HAL2 5607 0 0 0 0.09 5612 5610 C2 SLES 1 49.5252 0.688909 3.95691 CTL2 5607 5611 5612 5613 -0.18 5613 5611 H21 SLES 1 49.5092 1.75006 4.30381 HAL2 5610 0 0 0 0.09 5614 5612 H22 SLES 1 49.308 0.661981 2.86127 HAL2 5610 0 0 0 0.09 5615 5613 C3 SLES 1 48.4807 -0.0705721 4.66997 CTL2 5610 5614 5615 5616 -0.18 5616 5614 H31 SLES 1 48.7648 -0.00200562 5.75531 HAL2 5613 0 0 0 0.09 5617 5615 H32 SLES 1 48.5642 -1.1202 4.27361 HAL2 5613 0 0 0 0.09 5618 5616 C4 SLES 1 47.0396 0.312422 4.57193 CTL2 5613 5617 5618 5619 -0.18 5619 5617 H41 SLES 1 46.8672 1.34952 4.952 HAL2 5616 0 0 0 0.09 5620 5618 H42 SLES 1 46.6771 0.266707 3.51817 HAL2 5616 0 0 0 0.09 5621 5619 C5 SLES 1 46.4639 -0.785032 5.47709 CTL2 5616 5620 5621 5622 -0.18 5622 5620 H51 SLES 1 46.9219 -0.731426 6.50053 HAL2 5619 0 0 0 0.09 5623 5621 H52 SLES 1 46.7331 -1.8004 5.08338 HAL2 5619 0 0 0 0.09 5624 5622 C6 SLES 1 45.0101 -0.792326 5.67622 CTL2 5619 5623 5624 5625 -0.18 5625 5623 H61 SLES 1 44.845 -0.739757 6.78656 HAL2 5622 0 0 0 0.09 5626 5624 H62 SLES 1 44.6555 -1.81162 5.3654 HAL2 5622 0 0 0 0.09 5627 5625 C7 SLES 1 44.2066 0.29928 4.95913 CTL2 5622 5626 5627 5628 -0.18 5628 5626 H71 SLES 1 44.4582 1.33595 5.28562 HAL2 5625 0 0 0 0.09 5629 5627 H72 SLES 1 44.2663 0.250531 3.84702 HAL2 5625 0 0 0 0.09 5630 5628 C8 SLES 1 42.8441 -0.0712677 5.42178 CTL2 5625 5629 5630 5631 -0.18 5631 5629 H81 SLES 1 42.8668 -0.0213796 6.54656 HAL2 5628 0 0 0 0.09 5632 5630 H82 SLES 1 42.6716 -1.13052 5.07731 HAL2 5628 0 0 0 0.09 5633 5631 C9 SLES 1 41.6587 0.716524 4.9849 CTL2 5628 5632 5633 5634 -0.18 5634 5632 H91 SLES 1 41.7562 1.77424 5.31719 HAL2 5631 0 0 0 0.09 5635 5633 H92 SLES 1 41.5642 0.685989 3.87614 HAL2 5631 0 0 0 0.09 5636 5634 C10 SLES 1 40.5465 -0.0423176 5.70584 CTL2 5631 5635 5636 5637 -0.18 5637 5635 H10 SLES 1 40.7375 -0.0391775 6.81297 HAL2 5634 0 0 0 0.09 5638 5636 H10 SLES 1 40.547 -1.11881 5.3824 HAL2 5634 0 0 0 0.09 5639 5637 C11 SLES 1 39.1689 0.492708 5.48524 CTL2 5634 5638 5639 5640 -0.18 5640 5638 H11 SLES 1 39.1664 1.55386 5.82731 HAL2 5637 0 0 0 0.09 5641 5639 H11 SLES 1 38.9749 0.468091 4.38787 HAL2 5637 0 0 0 0.09 5642 5640 C12 SLES 1 38.1637 -0.360704 6.2638 CTL3 5637 5641 5642 5643 -0.27 5643 5641 H12 SLES 1 37.6388 0.261463 7.01441 HAL3 5640 0 0 0 0.09 5644 5642 H12 SLES 1 37.4455 -0.832578 5.56533 HAL3 5640 0 0 0 0.09 5645 5643 H12 SLES 1 38.6557 -1.19245 6.82556 HAL3 5640 0 0 0 0.09 5646 5644 NA SLES 1 58.3337 16.3003 1.39237 NA 0 0 0 0 1 5647 5645 S SLES 1 58.0592 14.4253 3.75529 SL 5646 5647 5648 5649 1.33 5648 5646 OS1 SLES 1 56.6876 14.5953 3.24629 OSL 5645 5650 0 0 -0.28 5649 5647 OS2 SLES 1 58.1996 15.8531 3.93532 O2L 5645 0 0 0 -0.65 5650 5648 OS3 SLES 1 58.5035 13.9227 2.47575 O2L 5645 0 0 0 -0.65 5651 5649 OS4 SLES 1 57.9754 13.5533 4.89302 O2L 5645 0 0 0 -0.65 5652 5650 C2 SLES 1 55.5365 14.0131 3.71256 CC32A 5646 5651 5652 5653 -0.11 5653 5651 H2A SLES 1 55.3509 14.2997 4.78135 HCA2 5650 0 0 0 0.09 5654 5652 H2B SLES 1 55.5879 12.8955 3.62326 HCA2 5650 0 0 0 0.09 5655 5653 C1 SLES 1 54.4683 14.6114 2.77215 CC32A 5650 5654 5655 5656 -0.01 5656 5654 H1B SLES 1 54.4496 15.7297 2.8469 HCA2 5653 0 0 0 0.09 5657 5655 H1A SLES 1 54.6689 14.327 1.71005 HCA2 5653 0 0 0 0.09 5658 5656 O1 SLES 1 53.1386 14.2456 2.95217 OC30A 5653 5657 0 0 -0.34 5659 5657 C2 SLES 1 52.8316 13.3542 4.00855 CC32A 5656 5658 5659 5660 -0.01 5660 5658 H2A SLES 1 53.1468 13.7934 4.99813 HCA2 5657 0 0 0 0.09 5661 5659 H2B SLES 1 53.3502 12.3759 3.87612 HCA2 5657 0 0 0 0.09 5662 5660 C1 SLES 1 51.3181 13.5939 3.65834 CC32A 5657 5661 5662 5663 -0.01 5663 5661 H1B SLES 1 51.1433 14.0002 4.66334 HCA2 5660 0 0 0 0.09 5664 5662 H1A SLES 1 51.3991 12.4781 3.39231 HCA2 5660 0 0 0 0.09 5665 5663 O1 SLES 1 49.9678 13.3228 3.38443 OC30A 5660 5664 0 0 -0.34 5666 5664 C1 SLES 1 49.2232 12.5882 4.34566 CTL2 5663 5665 5666 5667 -0.18 5667 5665 H11 SLES 1 49.3244 12.9279 5.41414 HAL2 5664 0 0 0 0.09 5668 5666 H12 SLES 1 49.5095 11.5066 4.31711 HAL2 5664 0 0 0 0.09 5669 5667 C2 SLES 1 47.8158 12.8328 3.8032 CTL2 5664 5668 5669 5670 -0.18 5670 5668 H21 SLES 1 47.4888 13.8978 3.87781 HAL2 5667 0 0 0 0.09 5671 5669 H22 SLES 1 47.6861 12.4864 2.74892 HAL2 5667 0 0 0 0.09 5672 5670 C3 SLES 1 46.9734 12.0035 4.68575 CTL2 5667 5671 5672 5673 -0.18 5673 5671 H31 SLES 1 47.1566 12.4049 5.71951 HAL2 5670 0 0 0 0.09 5674 5672 H32 SLES 1 47.3652 10.9564 4.56009 HAL2 5670 0 0 0 0.09 5675 5673 C4 SLES 1 45.492 11.9329 4.50216 CTL2 5670 5674 5675 5676 -0.18 5676 5674 H41 SLES 1 45.0193 12.9396 4.61549 HAL2 5673 0 0 0 0.09 5677 5675 H42 SLES 1 45.2253 11.5383 3.49369 HAL2 5673 0 0 0 0.09 5678 5676 C5 SLES 1 45.1792 10.9663 5.6523 CTL2 5673 5677 5678 5679 -0.18 5679 5677 H51 SLES 1 45.5374 11.3877 6.62905 HAL2 5676 0 0 0 0.09 5680 5678 H52 SLES 1 45.7398 10.0036 5.52001 HAL2 5676 0 0 0 0.09 5681 5679 C6 SLES 1 43.7725 10.5998 5.85299 CTL2 5676 5680 5681 5682 -0.18 5682 5680 H61 SLES 1 43.5273 10.8665 6.91675 HAL2 5679 0 0 0 0.09 5683 5681 H62 SLES 1 43.73 9.47854 5.80453 HAL2 5679 0 0 0 0.09 5684 5682 C7 SLES 1 42.7507 11.2195 4.89216 CTL2 5679 5683 5684 5685 -0.18 5685 5683 H71 SLES 1 42.6886 12.3318 4.95195 HAL2 5682 0 0 0 0.09 5686 5684 H72 SLES 1 42.8938 10.9264 3.82617 HAL2 5682 0 0 0 0.09 5687 5685 C8 SLES 1 41.5135 10.6034 5.43743 CTL2 5682 5686 5687 5688 -0.18 5688 5686 H81 SLES 1 41.4482 10.9237 6.51508 HAL2 5685 0 0 0 0.09 5689 5687 H82 SLES 1 41.6588 9.48803 5.36547 HAL2 5685 0 0 0 0.09 5690 5688 C9 SLES 1 40.1894 10.9003 4.82462 CTL2 5685 5689 5690 5691 -0.18 5691 5689 H91 SLES 1 39.9733 11.9904 4.88545 HAL2 5688 0 0 0 0.09 5692 5690 H92 SLES 1 40.1794 10.5818 3.75801 HAL2 5688 0 0 0 0.09 5693 5691 C10 SLES 1 39.2813 10.0546 5.71491 CTL2 5688 5692 5693 5694 -0.18 5694 5692 H10 SLES 1 39.3916 10.3743 6.78631 HAL2 5691 0 0 0 0.09 5695 5693 H10 SLES 1 39.596 8.97657 5.66689 HAL2 5691 0 0 0 0.09 5696 5694 C11 SLES 1 37.8276 10.114 5.37481 CTL2 5691 5695 5696 5697 -0.18 5697 5695 H11 SLES 1 37.5138 11.1816 5.44469 HAL2 5694 0 0 0 0.09 5698 5696 H11 SLES 1 37.7196 9.77584 4.3182 HAL2 5694 0 0 0 0.09 5699 5697 C12 SLES 1 37.0442 9.22398 6.34384 CTL3 5694 5698 5699 5700 -0.27 5700 5698 H12 SLES 1 36.3218 9.83415 6.92 HAL3 5697 0 0 0 0.09 5701 5699 H12 SLES 1 36.5287 8.41788 5.7862 HAL3 5697 0 0 0 0.09 5702 5700 H12 SLES 1 37.7063 8.72172 7.09132 HAL3 5697 0 0 0 0.09 5703 5701 NA SLES 1 52.6303 29.8897 1.12698 NA 0 0 0 0 1 5704 5702 S SLES 1 52.5767 28.5661 3.85085 SL 5703 5704 5705 5706 1.33 5705 5703 OS1 SLES 1 51.2822 28.2225 3.23811 OSL 5702 5707 0 0 -0.28 5706 5704 OS2 SLES 1 52.3098 29.9781 3.69096 O2L 5702 0 0 0 -0.65 5707 5705 OS3 SLES 1 53.2917 27.9502 2.75687 O2L 5702 0 0 0 -0.65 5708 5706 OS4 SLES 1 52.589 27.9714 5.15777 O2L 5702 0 0 0 -0.65 5709 5707 C2 SLES 1 50.279 27.4487 3.76355 CC32A 5703 5708 5709 5710 -0.11 5710 5708 H2A SLES 1 49.8946 27.892 4.71995 HCA2 5707 0 0 0 0.09 5711 5709 H2B SLES 1 50.6358 26.4008 3.94798 HCA2 5707 0 0 0 0.09 5712 5710 C1 SLES 1 49.2136 27.4998 2.64739 CC32A 5707 5711 5712 5713 -0.01 5713 5711 H1B SLES 1 48.8896 28.5546 2.45059 HCA2 5710 0 0 0 0.09 5714 5712 H1A SLES 1 49.611 27.0643 1.69782 HCA2 5710 0 0 0 0.09 5715 5713 O1 SLES 1 48.0172 26.8155 2.83328 OC30A 5710 5714 0 0 -0.34 5716 5714 C2 SLES 1 47.8311 26.1213 4.05321 CC32A 5713 5715 5716 5717 -0.01 5717 5715 H2A SLES 1 47.8948 26.8336 4.92499 HCA2 5714 0 0 0 0.09 5718 5716 H2B SLES 1 48.6031 25.3281 4.18925 HCA2 5714 0 0 0 0.09 5719 5717 C1 SLES 1 46.363 25.8362 3.56948 CC32A 5714 5718 5719 5720 -0.01 5720 5718 H1B SLES 1 45.9649 26.3806 4.43598 HCA2 5717 0 0 0 0.09 5721 5719 H1A SLES 1 46.7693 24.7605 3.58392 HCA2 5717 0 0 0 0.09 5722 5720 O1 SLES 1 45.1772 25.1371 3.29159 OC30A 5717 5721 0 0 -0.34 5723 5721 C1 SLES 1 44.5427 24.4435 4.35657 CTL2 5720 5722 5723 5724 -0.18 5724 5722 H11 SLES 1 44.4185 25.0185 5.3164 HAL2 5721 0 0 0 0.09 5725 5723 H12 SLES 1 45.1071 23.5096 4.60471 HAL2 5721 0 0 0 0.09 5726 5724 C2 SLES 1 43.1981 24.1522 3.69145 CTL2 5721 5725 5726 5727 -0.18 5727 5725 H21 SLES 1 42.5935 25.0689 3.48959 HAL2 5724 0 0 0 0.09 5728 5726 H22 SLES 1 43.2951 23.5658 2.74537 HAL2 5724 0 0 0 0.09 5729 5727 C3 SLES 1 42.5048 23.3253 4.69728 CTL2 5724 5728 5729 5730 -0.18 5730 5728 H31 SLES 1 42.4469 23.974 5.61337 HAL2 5727 0 0 0 0.09 5731 5729 H32 SLES 1 43.173 22.433 4.84912 HAL2 5727 0 0 0 0.09 5732 5730 C4 SLES 1 41.1294 22.7953 4.4513 CTL2 5727 5731 5732 5733 -0.18 5733 5731 H41 SLES 1 40.3961 23.6241 4.29257 HAL2 5730 0 0 0 0.09 5734 5732 H42 SLES 1 41.1025 22.1345 3.5533 HAL2 5730 0 0 0 0.09 5735 5733 C5 SLES 1 40.9463 22.0492 5.7798 CTL2 5730 5734 5735 5736 -0.18 5736 5734 H51 SLES 1 41.0574 22.7546 6.64587 HAL2 5733 0 0 0 0.09 5737 5735 H52 SLES 1 41.7542 21.2827 5.91463 HAL2 5733 0 0 0 0.09 5738 5736 C6 SLES 1 39.6739 21.3467 5.98148 CTL2 5733 5737 5738 5739 -0.18 5739 5737 H61 SLES 1 39.2383 21.7531 6.93435 HAL2 5736 0 0 0 0.09 5740 5738 H62 SLES 1 39.9369 20.2771 6.20097 HAL2 5736 0 0 0 0.09 5741 5739 C7 SLES 1 38.6496 21.4266 4.84305 CTL2 5736 5740 5741 5742 -0.18 5742 5740 H71 SLES 1 38.2876 22.4603 4.63067 HAL2 5739 0 0 0 0.09 5743 5741 H72 SLES 1 38.9948 20.9658 3.88849 HAL2 5739 0 0 0 0.09 5744 5742 C8 SLES 1 37.5634 20.6134 5.44824 CTL2 5739 5743 5744 5745 -0.18 5745 5743 H81 SLES 1 37.2841 21.1244 6.41207 HAL2 5742 0 0 0 0.09 5746 5744 H82 SLES 1 38.0074 19.5981 5.65435 HAL2 5742 0 0 0 0.09 5747 5745 C9 SLES 1 36.2934 20.3797 4.70718 CTL2 5742 5746 5747 5748 -0.18 5748 5746 H91 SLES 1 35.7897 21.3487 4.4923 HAL2 5745 0 0 0 0.09 5749 5747 H92 SLES 1 36.4989 19.8511 3.74933 HAL2 5745 0 0 0 0.09 5750 5748 C10 SLES 1 35.5406 19.5202 5.72071 CTL2 5745 5749 5750 5751 -0.18 5751 5749 H10 SLES 1 35.4301 20.0798 6.68868 HAL2 5748 0 0 0 0.09 5752 5750 H10 SLES 1 36.1338 18.5936 5.95076 HAL2 5748 0 0 0 0.09 5753 5751 C11 SLES 1 34.1763 19.0861 5.29344 CTL2 5748 5752 5753 5754 -0.18 5754 5752 H11 SLES 1 33.5841 20.008 5.08712 HAL2 5751 0 0 0 0.09 5755 5753 H11 SLES 1 34.2921 18.5131 4.34437 HAL2 5751 0 0 0 0.09 5756 5754 C12 SLES 1 33.545 18.2378 6.40105 CTL3 5751 5755 5756 5757 -0.27 5757 5755 H12 SLES 1 32.6216 18.7239 6.77163 HAL3 5754 0 0 0 0.09 5758 5756 H12 SLES 1 33.3343 17.2179 6.02438 HAL3 5754 0 0 0 0.09 5759 5757 H12 SLES 1 34.2201 18.1187 7.2839 HAL3 5754 0 0 0 0.09 5760 5758 NA SLES 1 43.869 41.6643 0.979275 NA 0 0 0 0 1 5761 5759 S SLES 1 43.6964 40.8862 3.90143 SL 5760 5761 5762 5763 1.33 5762 5760 OS1 SLES 1 42.6619 40.0782 3.23336 OSL 5759 5764 0 0 -0.28 5763 5761 OS2 SLES 1 43.1011 42.1079 3.40786 O2L 5759 0 0 0 -0.65 5764 5762 OS3 SLES 1 44.7244 40.3215 3.05789 O2L 5759 0 0 0 -0.65 5765 5763 OS4 SLES 1 43.6391 40.5619 5.29906 O2L 5759 0 0 0 -0.65 5766 5764 C2 SLES 1 41.8212 39.1519 3.7957 CC32A 5760 5765 5766 5767 -0.11 5767 5765 H2A SLES 1 41.1759 39.626 4.58163 HCA2 5764 0 0 0 0.09 5768 5766 H2B SLES 1 42.4024 38.3029 4.24402 HCA2 5764 0 0 0 0.09 5769 5767 C1 SLES 1 40.9876 38.6925 2.58012 CC32A 5764 5768 5769 5770 -0.01 5770 5768 H1B SLES 1 40.4378 39.5552 2.12209 HCA2 5767 0 0 0 0.09 5771 5769 H1A SLES 1 41.6419 38.2306 1.80059 HCA2 5767 0 0 0 0.09 5772 5770 O1 SLES 1 39.9982 37.734 2.7716 OC30A 5767 5771 0 0 -0.34 5773 5771 C2 SLES 1 39.7935 37.243 4.08379 CC32A 5770 5772 5773 5774 -0.01 5774 5772 H2A SLES 1 39.518 38.0856 4.78067 HCA2 5771 0 0 0 0.09 5775 5773 H2B SLES 1 40.7107 36.7457 4.47751 HCA2 5771 0 0 0 0.09 5776 5774 C1 SLES 1 38.5566 36.4623 3.50799 CC32A 5771 5775 5776 5777 -0.01 5777 5775 H1B SLES 1 37.8874 37.0118 4.18317 HCA2 5774 0 0 0 0.09 5778 5776 H1A SLES 1 39.2213 35.5716 3.80332 HCA2 5774 0 0 0 0.09 5779 5777 O1 SLES 1 37.6609 35.411 3.25446 OC30A 5774 5778 0 0 -0.34 5780 5778 C1 SLES 1 37.0566 34.7627 4.36467 CTL2 5777 5779 5780 5781 -0.18 5781 5779 H11 SLES 1 36.6235 35.4371 5.15519 HAL2 5778 0 0 0 0.09 5782 5780 H12 SLES 1 37.7944 34.0926 4.87381 HAL2 5778 0 0 0 0.09 5783 5781 C2 SLES 1 35.97 33.9801 3.62868 CTL2 5778 5782 5783 5784 -0.18 5784 5782 H21 SLES 1 35.1907 34.6304 3.16353 HAL2 5781 0 0 0 0.09 5785 5783 H22 SLES 1 36.3779 33.2895 2.85083 HAL2 5781 0 0 0 0.09 5786 5784 C3 SLES 1 35.3549 33.1789 4.70386 CTL2 5781 5785 5786 5787 -0.18 5787 5785 H31 SLES 1 34.973 33.9341 5.44355 HAL2 5784 0 0 0 0.09 5788 5786 H32 SLES 1 36.1969 32.5611 5.12254 HAL2 5784 0 0 0 0.09 5789 5787 C4 SLES 1 34.2294 32.237 4.42255 CTL2 5784 5788 5789 5790 -0.18 5790 5788 H41 SLES 1 33.3435 32.7749 4.00354 HAL2 5787 0 0 0 0.09 5791 5789 H42 SLES 1 34.5309 31.4489 3.69326 HAL2 5787 0 0 0 0.09 5792 5790 C5 SLES 1 34.0224 31.7173 5.85158 CTL2 5787 5791 5792 5793 -0.18 5793 5791 H51 SLES 1 33.7948 32.5662 6.54992 HAL2 5790 0 0 0 0.09 5794 5792 H52 SLES 1 34.967 31.2554 6.24245 HAL2 5790 0 0 0 0.09 5795 5793 C6 SLES 1 32.9629 30.7223 6.05361 CTL2 5790 5794 5795 5796 -0.18 5796 5794 H61 SLES 1 32.2793 31.1465 6.83825 HAL2 5793 0 0 0 0.09 5797 5795 H62 SLES 1 33.4547 29.832 6.52982 HAL2 5793 0 0 0 0.09 5798 5796 C7 SLES 1 32.1647 30.2982 4.81488 CTL2 5793 5797 5798 5799 -0.18 5799 5797 H71 SLES 1 31.587 31.1272 4.34199 HAL2 5796 0 0 0 0.09 5800 5798 H72 SLES 1 32.777 29.7963 4.03004 HAL2 5796 0 0 0 0.09 5801 5799 C8 SLES 1 31.2417 29.3247 5.45354 CTL2 5796 5800 5801 5802 -0.18 5802 5800 H81 SLES 1 30.6773 29.8945 6.24401 HAL2 5799 0 0 0 0.09 5803 5801 H82 SLES 1 31.8935 28.5356 5.92581 HAL2 5799 0 0 0 0.09 5804 5802 C9 SLES 1 30.2237 28.6045 4.63997 CTL2 5799 5803 5804 5805 -0.18 5805 5803 H91 SLES 1 29.5289 29.331 4.16244 HAL2 5802 0 0 0 0.09 5806 5804 H92 SLES 1 30.7217 27.9977 3.85063 HAL2 5802 0 0 0 0.09 5807 5805 C10 SLES 1 29.5595 27.7567 5.72287 CTL2 5802 5806 5807 5808 -0.18 5808 5806 H10 SLES 1 29.1419 28.422 6.52622 HAL2 5805 0 0 0 0.09 5809 5807 H10 SLES 1 30.3256 27.0987 6.21619 HAL2 5805 0 0 0 0.09 5810 5808 C11 SLES 1 28.4505 26.8761 5.24624 CTL2 5805 5809 5810 5811 -0.18 5811 5809 H11 SLES 1 27.6825 27.5342 4.77707 HAL2 5808 0 0 0 0.09 5812 5810 H11 SLES 1 28.8733 26.2031 4.46474 HAL2 5808 0 0 0 0.09 5813 5811 C12 SLES 1 27.8824 26.0909 6.43184 CTL3 5808 5812 5813 5814 -0.27 5814 5812 H12 SLES 1 26.8147 26.3449 6.57863 HAL3 5811 0 0 0 0.09 5815 5813 H12 SLES 1 28.0137 25.004 6.2649 HAL3 5811 0 0 0 0.09 5816 5814 H12 SLES 1 28.4032 26.3315 7.39118 HAL3 5811 0 0 0 0.09 5817 5815 NA SLES 1 32.5649 50.9855 0.958539 NA 0 0 0 0 1 5818 5816 S SLES 1 31.9906 50.5736 3.90385 SL 5817 5818 5819 5820 1.33 5819 5817 OS1 SLES 1 31.3674 49.4204 3.23235 OSL 5816 5821 0 0 -0.28 5820 5818 OS2 SLES 1 31.2147 51.4948 3.10382 O2L 5816 0 0 0 -0.65 5821 5819 OS3 SLES 1 33.284 50.2292 3.3599 O2L 5816 0 0 0 -0.65 5822 5820 OS4 SLES 1 31.7273 50.4294 5.30802 O2L 5816 0 0 0 -0.65 5823 5821 C2 SLES 1 30.6988 48.3697 3.80698 CC32A 5817 5822 5823 5824 -0.11 5824 5822 H2A SLES 1 29.8017 48.7323 4.3751 HCA2 5821 0 0 0 0.09 5825 5823 H2B SLES 1 31.3736 47.792 4.4928 HCA2 5821 0 0 0 0.09 5826 5824 C1 SLES 1 30.289 47.535 2.57456 CC32A 5821 5825 5826 5827 -0.01 5827 5825 H1B SLES 1 29.6422 48.1337 1.88205 HCA2 5824 0 0 0 0.09 5828 5826 H1A SLES 1 31.19 47.1874 2.01192 HCA2 5824 0 0 0 0.09 5829 5827 O1 SLES 1 29.5667 46.3628 2.77101 OC30A 5824 5828 0 0 -0.34 5830 5828 C2 SLES 1 29.226 46.0066 4.09835 CC32A 5827 5829 5830 5831 -0.01 5831 5829 H2A SLES 1 28.5999 46.8147 4.57425 HCA2 5828 0 0 0 0.09 5832 5830 H2B SLES 1 30.1371 45.8531 4.72276 HCA2 5828 0 0 0 0.09 5833 5831 C1 SLES 1 28.3855 44.8321 3.47772 CC32A 5828 5832 5833 5834 -0.01 5834 5832 H1B SLES 1 27.4696 45.2449 3.9208 HCA2 5831 0 0 0 0.09 5835 5833 H1A SLES 1 29.1821 44.2195 4.03672 HCA2 5831 0 0 0 0.09 5836 5834 O1 SLES 1 27.8693 43.542 3.27538 OC30A 5831 5835 0 0 -0.34 5837 5835 C1 SLES 1 27.2357 42.8943 4.36944 CTL2 5834 5836 5837 5838 -0.18 5838 5836 H11 SLES 1 26.4854 43.5091 4.94064 HAL2 5835 0 0 0 0.09 5839 5837 H12 SLES 1 27.9986 42.5395 5.10749 HAL2 5835 0 0 0 0.09 5840 5838 C2 SLES 1 26.571 41.7411 3.61883 CTL2 5835 5839 5840 5841 -0.18 5841 5839 H21 SLES 1 25.7649 42.0707 2.92012 HAL2 5838 0 0 0 0.09 5842 5840 H22 SLES 1 27.2992 41.1052 3.05869 HAL2 5838 0 0 0 0.09 5843 5841 C3 SLES 1 25.9745 40.9408 4.70506 CTL2 5838 5842 5843 5844 -0.18 5844 5842 H31 SLES 1 25.262 41.6407 5.22074 HAL2 5841 0 0 0 0.09 5845 5843 H32 SLES 1 26.8409 40.6543 5.36317 HAL2 5841 0 0 0 0.09 5846 5844 C4 SLES 1 25.2191 39.6839 4.41771 CTL2 5841 5845 5846 5847 -0.18 5847 5845 H41 SLES 1 24.3322 39.8818 3.76656 HAL2 5844 0 0 0 0.09 5848 5846 H42 SLES 1 25.8622 38.9308 3.90478 HAL2 5844 0 0 0 0.09 5849 5847 C5 SLES 1 24.8591 39.3148 5.86314 CTL2 5844 5848 5849 5850 -0.18 5850 5848 H51 SLES 1 24.2762 40.143 6.34723 HAL2 5847 0 0 0 0.09 5851 5849 H52 SLES 1 25.7873 39.2025 6.48287 HAL2 5847 0 0 0 0.09 5852 5850 C6 SLES 1 24.0781 38.089 6.06485 CTL2 5847 5851 5852 5853 -0.18 5853 5851 H61 SLES 1 23.1583 38.3929 6.63449 HAL2 5850 0 0 0 0.09 5854 5852 H62 SLES 1 24.6736 37.4496 6.7704 HAL2 5850 0 0 0 0.09 5855 5853 C7 SLES 1 23.6973 37.295 4.80942 CTL2 5850 5854 5855 5856 -0.18 5856 5854 H71 SLES 1 23.0361 37.8517 4.10403 HAL2 5853 0 0 0 0.09 5857 5855 H72 SLES 1 24.5702 36.8967 4.24195 HAL2 5853 0 0 0 0.09 5858 5856 C8 SLES 1 22.9474 36.1855 5.453 CTL2 5853 5857 5858 5859 -0.18 5859 5857 H81 SLES 1 22.1007 36.6629 6.02146 HAL2 5856 0 0 0 0.09 5860 5858 H82 SLES 1 23.6681 35.6882 6.16277 HAL2 5856 0 0 0 0.09 5861 5859 C9 SLES 1 22.3475 35.1015 4.6272 CTL2 5856 5860 5861 5862 -0.18 5862 5860 H91 SLES 1 21.6037 35.5264 3.9166 HAL2 5859 0 0 0 0.09 5863 5861 H92 SLES 1 23.141 34.5698 4.05556 HAL2 5859 0 0 0 0.09 5864 5862 C10 SLES 1 21.7151 34.2438 5.72124 CTL2 5859 5863 5864 5865 -0.18 5865 5863 H10 SLES 1 20.9791 34.8561 6.30913 HAL2 5862 0 0 0 0.09 5866 5864 H10 SLES 1 22.5049 33.9066 6.44649 HAL2 5862 0 0 0 0.09 5867 5865 C11 SLES 1 21.0004 33.0246 5.23617 CTL2 5862 5866 5867 5868 -0.18 5868 5866 H11 SLES 1 20.2037 33.3643 4.53402 HAL2 5865 0 0 0 0.09 5869 5867 H11 SLES 1 21.7388 32.4092 4.67176 HAL2 5865 0 0 0 0.09 5870 5868 C12 SLES 1 20.4207 32.2674 6.43427 CTL3 5865 5869 5870 5871 -0.27 5871 5869 H12 SLES 1 19.3176 32.216 6.35312 HAL3 5868 0 0 0 0.09 5872 5870 H12 SLES 1 20.8632 31.2538 6.49264 HAL3 5868 0 0 0 0.09 5873 5871 H12 SLES 1 20.6467 32.7706 7.40643 HAL3 5868 0 0 0 0.09 5874 5872 NA SLES 1 19.3483 57.3392 1.06607 NA 0 0 0 0 1 5875 5873 S SLES 1 18.2257 56.9935 3.85795 SL 5874 5875 5876 5877 1.33 5876 5874 OS1 SLES 1 18.106 55.6642 3.23513 OSL 5873 5878 0 0 -0.28 5877 5875 OS2 SLES 1 17.4453 57.5918 2.79793 O2L 5873 0 0 0 -0.65 5878 5876 OS3 SLES 1 19.6545 56.9978 3.64392 O2L 5873 0 0 0 -0.65 5879 5877 OS4 SLES 1 17.6866 56.8814 5.18407 O2L 5873 0 0 0 -0.65 5880 5878 C2 SLES 1 17.6229 54.5099 3.7967 CC32A 5874 5879 5880 5881 -0.11 5881 5879 H2A SLES 1 16.5542 54.6389 4.11333 HCA2 5878 0 0 0 0.09 5882 5880 H2B SLES 1 18.245 54.2022 4.67867 HCA2 5878 0 0 0 0.09 5883 5881 C1 SLES 1 17.7508 53.5057 2.63107 CC32A 5878 5882 5883 5884 -0.01 5884 5882 H1B SLES 1 17.151 53.841 1.74556 HCA2 5881 0 0 0 0.09 5885 5883 H1A SLES 1 18.8179 53.3926 2.31853 HCA2 5881 0 0 0 0.09 5886 5884 O1 SLES 1 17.3388 52.1926 2.83155 OC30A 5881 5885 0 0 -0.34 5887 5885 C2 SLES 1 16.8013 51.8503 4.09598 CC32A 5884 5886 5887 5888 -0.01 5888 5886 H2A SLES 1 15.8901 52.476 4.31868 HCA2 5885 0 0 0 0.09 5889 5887 H2B SLES 1 17.5467 52.0113 4.90961 HCA2 5885 0 0 0 0.09 5890 5888 C1 SLES 1 16.472 50.4418 3.48059 CC32A 5885 5889 5890 5891 -0.01 5891 5889 H1B SLES 1 15.4019 50.6042 3.66535 HCA2 5888 0 0 0 0.09 5892 5890 H1A SLES 1 17.2471 50.1267 4.26947 HCA2 5888 0 0 0 0.09 5893 5891 O1 SLES 1 16.3779 49.0465 3.35304 OC30A 5888 5892 0 0 -0.34 5894 5892 C1 SLES 1 15.6986 48.3247 4.37057 CTL2 5891 5893 5894 5895 -0.18 5895 5893 H11 SLES 1 14.6997 48.7369 4.68623 HAL2 5892 0 0 0 0.09 5896 5894 H12 SLES 1 16.3317 48.259 5.29107 HAL2 5892 0 0 0 0.09 5897 5895 C2 SLES 1 15.5587 46.9778 3.66253 CTL2 5892 5896 5897 5898 -0.18 5898 5896 H21 SLES 1 14.8824 47.0098 2.77467 HAL2 5895 0 0 0 0.09 5899 5897 H22 SLES 1 16.5397 46.5398 3.35588 HAL2 5895 0 0 0 0.09 5900 5898 C3 SLES 1 14.9562 46.1203 4.7008 CTL2 5895 5899 5900 5901 -0.18 5901 5899 H31 SLES 1 13.9833 46.6206 4.95892 HAL2 5898 0 0 0 0.09 5902 5900 H32 SLES 1 15.687 46.1439 5.5559 HAL2 5898 0 0 0 0.09 5903 5901 C4 SLES 1 14.6496 44.6817 4.43708 CTL2 5898 5902 5903 5904 -0.18 5904 5902 H41 SLES 1 13.9214 44.5681 3.59652 HAL2 5901 0 0 0 0.09 5905 5903 H42 SLES 1 15.571 44.1108 4.17456 HAL2 5901 0 0 0 0.09 5906 5904 C5 SLES 1 14.0697 44.3302 5.81373 CTL2 5901 5905 5906 5907 -0.18 5907 5905 H51 SLES 1 13.1916 44.9881 6.05055 HAL2 5904 0 0 0 0.09 5908 5906 H52 SLES 1 14.8214 44.5351 6.62078 HAL2 5904 0 0 0 0.09 5909 5907 C6 SLES 1 13.6157 42.9493 6.01449 CTL2 5904 5908 5909 5910 -0.18 5910 5908 H61 SLES 1 12.5409 43.0157 6.33587 HAL2 5907 0 0 0 0.09 5911 5909 H62 SLES 1 14.1753 42.5612 6.90761 HAL2 5907 0 0 0 0.09 5912 5910 C7 SLES 1 13.7654 41.9906 4.82701 CTL2 5907 5911 5912 5913 -0.18 5913 5911 H71 SLES 1 13.1663 42.2807 3.93175 HAL2 5910 0 0 0 0.09 5914 5912 H72 SLES 1 14.8208 41.8206 4.51089 HAL2 5910 0 0 0 0.09 5915 5913 C8 SLES 1 13.2056 40.7617 5.44665 CTL2 5910 5914 5915 5916 -0.18 5916 5914 H81 SLES 1 12.1536 41.0148 5.7584 HAL2 5913 0 0 0 0.09 5917 5915 H82 SLES 1 13.8437 40.5457 6.35037 HAL2 5913 0 0 0 0.09 5918 5916 C9 SLES 1 13.1257 39.4941 4.66968 CTL2 5913 5917 5918 5919 -0.18 5919 5917 H91 SLES 1 12.4854 39.6341 3.77022 HAL2 5916 0 0 0 0.09 5920 5918 H92 SLES 1 14.1431 39.1736 4.35124 HAL2 5916 0 0 0 0.09 5921 5919 C10 SLES 1 12.503 38.572 5.71593 CTL2 5916 5920 5921 5922 -0.18 5922 5920 H10 SLES 1 11.5143 38.9872 6.05105 HAL2 5919 0 0 0 0.09 5923 5921 H10 SLES 1 13.1598 38.5301 6.62718 HAL2 5919 0 0 0 0.09 5924 5922 C11 SLES 1 12.2712 37.1669 5.26386 CTL2 5919 5923 5924 5925 -0.18 5925 5923 H11 SLES 1 11.6019 37.211 4.37324 HAL2 5922 0 0 0 0.09 5926 5924 H11 SLES 1 13.2574 36.7512 4.9524 HAL2 5922 0 0 0 0.09 5927 5925 C12 SLES 1 11.6467 36.3635 6.4082 CTL3 5922 5926 5927 5928 -0.27 5928 5926 H12 SLES 1 10.6478 35.9908 6.10927 HAL3 5925 0 0 0 0.09 5929 5927 H12 SLES 1 12.3146 35.5274 6.6933 HAL3 5925 0 0 0 0.09 5930 5928 H12 SLES 1 11.4959 36.9794 7.32869 HAL3 5925 0 0 0 0.09 5931 5929 NA SLES 1 4.94539 60.3505 1.29512 NA 0 0 0 0 1 5932 5930 S SLES 1 3.30641 59.7343 3.76663 SL 5931 5932 5933 5934 1.33 5933 5931 OS1 SLES 1 3.7079 58.4182 3.24152 OSL 5930 5935 0 0 -0.28 5934 5932 OS2 SLES 1 2.67937 60.0762 2.50942 O2L 5930 0 0 0 -0.65 5935 5933 OS3 SLES 1 4.68771 60.1388 3.89211 O2L 5930 0 0 0 -0.65 5936 5934 OS4 SLES 1 2.50826 59.49 4.93502 O2L 5930 0 0 0 -0.65 5937 5935 C2 SLES 1 3.43217 57.181 3.76549 CC32A 5931 5936 5937 5938 -0.11 5938 5936 H2A SLES 1 2.32471 57.0071 3.81277 HCA2 5935 0 0 0 0.09 5939 5937 H2B SLES 1 3.87713 57.0712 4.78996 HCA2 5935 0 0 0 0.09 5940 5938 C1 SLES 1 4.10997 56.2402 2.74609 CC32A 5935 5939 5940 5941 -0.01 5941 5939 H1B SLES 1 3.67918 56.3828 1.72118 HCA2 5938 0 0 0 0.09 5942 5940 H1A SLES 1 5.21067 56.429 2.70114 HCA2 5938 0 0 0 0.09 5943 5941 O1 SLES 1 4.03229 54.8666 2.94941 OC30A 5938 5942 0 0 -0.34 5944 5942 C2 SLES 1 3.31321 54.4012 4.07685 CC32A 5941 5943 5944 5945 -0.01 5945 5943 H2A SLES 1 2.24105 54.7473 4.03004 HCA2 5942 0 0 0 0.09 5946 5944 H2B SLES 1 3.76298 54.7751 5.02632 HCA2 5942 0 0 0 0.09 5947 5945 C1 SLES 1 3.53928 52.9501 3.51641 CC32A 5942 5946 5947 5948 -0.01 5948 5946 H1B SLES 1 2.45393 52.8064 3.43287 HCA2 5945 0 0 0 0.09 5949 5947 H1A SLES 1 4.15154 52.8752 4.48693 HCA2 5945 0 0 0 0.09 5950 5948 O1 SLES 1 3.86051 51.5835 3.48255 OC30A 5945 5949 0 0 -0.34 5951 5949 C1 SLES 1 3.17286 50.7111 4.36801 CTL2 5948 5950 5951 5952 -0.18 5952 5950 H11 SLES 1 2.054 50.8287 4.40794 HAL2 5949 0 0 0 0.09 5953 5951 H12 SLES 1 3.55313 50.8371 5.413 HAL2 5949 0 0 0 0.09 5954 5952 C2 SLES 1 3.58135 49.3714 3.75703 CTL2 5949 5953 5954 5955 -0.18 5955 5953 H21 SLES 1 3.16205 49.2013 2.73629 HAL2 5952 0 0 0 0.09 5956 5954 H22 SLES 1 4.6884 49.2242 3.72373 HAL2 5952 0 0 0 0.09 5957 5955 C3 SLES 1 2.99681 48.3908 4.69137 CTL2 5952 5956 5957 5958 -0.18 5958 5956 H31 SLES 1 1.89249 48.5996 4.67454 HAL2 5955 0 0 0 0.09 5959 5957 H32 SLES 1 3.45991 48.6292 5.68861 HAL2 5955 0 0 0 0.09 5960 5958 C4 SLES 1 3.16556 46.9213 4.47946 CTL2 5955 5959 5960 5961 -0.18 5961 5959 H41 SLES 1 2.72561 46.5974 3.5041 HAL2 5958 0 0 0 0.09 5962 5960 H42 SLES 1 4.24218 46.6302 4.48566 HAL2 5958 0 0 0 0.09 5963 5961 C5 SLES 1 2.38181 46.4362 5.70648 CTL2 5958 5962 5963 5964 -0.18 5964 5962 H51 SLES 1 1.32829 46.8227 5.6785 HAL2 5961 0 0 0 0.09 5965 5963 H52 SLES 1 2.82718 46.8539 6.64752 HAL2 5961 0 0 0 0.09 5966 5964 C6 SLES 1 2.28334 44.9857 5.90571 CTL2 5961 5965 5966 5967 -0.18 5967 5965 H61 SLES 1 1.18593 44.7502 5.96116 HAL2 5964 0 0 0 0.09 5968 5966 H62 SLES 1 2.68906 44.7814 6.93282 HAL2 5964 0 0 0 0.09 5969 5967 C7 SLES 1 2.97445 44.0946 4.86656 CTL2 5964 5968 5969 5970 -0.18 5970 5968 H71 SLES 1 2.55892 44.1939 3.83598 HAL2 5967 0 0 0 0.09 5971 5969 H72 SLES 1 4.08054 44.2254 4.81997 HAL2 5967 0 0 0 0.09 5972 5970 C8 SLES 1 2.63324 42.7649 5.43489 CTL2 5967 5971 5972 5973 -0.18 5973 5971 H81 SLES 1 1.50883 42.7148 5.47136 HAL2 5970 0 0 0 0.09 5974 5972 H82 SLES 1 3.06285 42.7479 6.4768 HAL2 5970 0 0 0 0.09 5975 5973 C9 SLES 1 3.09307 41.5174 4.76475 CTL2 5970 5974 5975 5976 -0.18 5976 5974 H91 SLES 1 2.68081 41.461 3.73249 HAL2 5973 0 0 0 0.09 5977 5975 H92 SLES 1 4.20506 41.4931 4.71909 HAL2 5973 0 0 0 0.09 5978 5976 C10 SLES 1 2.50526 40.4692 5.70728 CTL2 5973 5977 5978 5979 -0.18 5979 5977 H10 SLES 1 1.39024 40.5928 5.7682 HAL2 5976 0 0 0 0.09 5980 5978 H10 SLES 1 2.90336 40.6245 6.74693 HAL2 5976 0 0 0 0.09 5981 5979 C11 SLES 1 2.78087 39.0506 5.32758 CTL2 5976 5980 5981 5982 -0.18 5982 5980 H11 SLES 1 2.36546 38.8941 4.30484 HAL2 5979 0 0 0 0.09 5983 5981 H11 SLES 1 3.88789 38.9262 5.28905 HAL2 5979 0 0 0 0.09 5984 5982 C12 SLES 1 2.13512 38.1169 6.35525 CTL3 5979 5983 5984 5985 -0.27 5985 5983 H12 SLES 1 1.37989 37.4744 5.86241 HAL3 5982 0 0 0 0.09 5986 5984 H12 SLES 1 2.91264 37.5063 6.85427 HAL3 5982 0 0 0 0.09 5987 5985 H12 SLES 1 1.60145 38.6759 7.16284 HAL3 5982 0 0 0 0.09 5988 5986 NA SLES 1 -9.84214 59.8012 1.63129 NA 0 0 0 0 1 5989 5987 S SLES 1 -11.7913 58.636 3.63562 SL 5988 5989 5990 5991 1.33 5990 5988 OS1 SLES 1 -10.9252 57.5084 3.25114 OSL 5987 5992 0 0 -0.28 5991 5989 OS2 SLES 1 -12.1658 58.8555 2.25642 O2L 5987 0 0 0 -0.65 5992 5990 OS3 SLES 1 -10.6498 59.3968 4.08887 O2L 5987 0 0 0 -0.65 5993 5991 OS4 SLES 1 -12.7475 58.1238 4.5765 O2L 5987 0 0 0 -0.65 5994 5992 C2 SLES 1 -10.964 56.2184 3.71532 CC32A 5988 5993 5994 5995 -0.11 5995 5993 H2A SLES 1 -11.9567 55.7454 3.4923 HCA2 5992 0 0 0 0.09 5996 5994 H2B SLES 1 -10.7671 56.1836 4.81968 HCA2 5992 0 0 0 0.09 5997 5995 C1 SLES 1 -9.82613 55.552 2.9124 CC32A 5992 5996 5997 5998 -0.01 5998 5996 H1B SLES 1 -10.0188 55.6222 1.81046 HCA2 5995 0 0 0 0.09 5999 5997 H1A SLES 1 -8.84443 56.0374 3.13572 HCA2 5995 0 0 0 0.09 6000 5998 O1 SLES 1 -9.56545 54.2013 3.11719 OC30A 5995 5999 0 0 -0.34 6001 5999 C2 SLES 1 -10.3768 53.5006 4.04213 CC32A 5998 6000 6001 6002 -0.01 6002 6000 H2A SLES 1 -11.4585 53.5412 3.72645 HCA2 5999 0 0 0 0.09 6003 6001 H2B SLES 1 -10.2918 53.9353 5.06554 HCA2 5999 0 0 0 0.09 6004 6002 C1 SLES 1 -9.62772 52.1971 3.58293 CC32A 5999 6003 6004 6005 -0.01 6005 6003 H1B SLES 1 -10.5767 51.7656 3.23798 HCA2 6002 0 0 0 0.09 6006 6004 H1A SLES 1 -9.27199 52.2444 4.67545 HCA2 6002 0 0 0 0.09 6007 6005 O1 SLES 1 -8.94085 50.9745 3.65579 OC30A 6002 6006 0 0 -0.34 6008 6006 C1 SLES 1 -9.55135 49.9037 4.36191 CTL2 6005 6007 6008 6009 -0.18 6009 6007 H11 SLES 1 -10.6339 49.7078 4.12327 HAL2 6006 0 0 0 0.09 6010 6008 H12 SLES 1 -9.48515 50.0765 5.46565 HAL2 6006 0 0 0 0.09 6011 6009 C2 SLES 1 -8.6515 48.7598 3.89638 CTL2 6006 6010 6011 6012 -0.18 6012 6010 H21 SLES 1 -8.7476 48.5327 2.80742 HAL2 6009 0 0 0 0.09 6013 6011 H22 SLES 1 -7.57329 48.9237 4.13913 HAL2 6009 0 0 0 0.09 6014 6012 C3 SLES 1 -9.14784 47.6108 4.67734 CTL2 6009 6013 6014 6015 -0.18 6015 6013 H31 SLES 1 -10.2285 47.5093 4.38549 HAL2 6012 0 0 0 0.09 6016 6014 H32 SLES 1 -9.02435 47.9167 5.75297 HAL2 6012 0 0 0 0.09 6017 6015 C4 SLES 1 -8.53111 46.2564 4.54217 CTL2 6012 6016 6017 6018 -0.18 6018 6016 H41 SLES 1 -8.61459 45.8737 3.49511 HAL2 6015 0 0 0 0.09 6019 6017 H42 SLES 1 -7.45071 46.2718 4.81852 HAL2 6015 0 0 0 0.09 6020 6018 C5 SLES 1 -9.42113 45.5141 5.54812 CTL2 6015 6019 6020 6021 -0.18 6021 6019 H51 SLES 1 -10.5013 45.5978 5.25447 HAL2 6018 0 0 0 0.09 6022 6020 H52 SLES 1 -9.35043 45.9902 6.56142 HAL2 6018 0 0 0 0.09 6023 6021 C6 SLES 1 -9.15741 44.0841 5.74533 CTL2 6018 6022 6023 6024 -0.18 6024 6022 H61 SLES 1 -10.1256 43.5542 5.5339 HAL2 6021 0 0 0 0.09 6025 6023 H62 SLES 1 -8.97136 43.9476 6.84444 HAL2 6021 0 0 0 0.09 6026 6024 C7 SLES 1 -8.01618 43.47 4.92557 CTL2 6021 6025 6026 6027 -0.18 6027 6025 H71 SLES 1 -8.18129 43.5031 3.82273 HAL2 6024 0 0 0 0.09 6028 6026 H72 SLES 1 -7.01295 43.9013 5.14976 HAL2 6024 0 0 0 0.09 6029 6027 C8 SLES 1 -8.10084 42.0709 5.41845 CTL2 6024 6028 6029 6030 -0.18 6030 6028 H81 SLES 1 -9.14109 41.7127 5.17837 HAL2 6027 0 0 0 0.09 6031 6029 H82 SLES 1 -7.94824 42.1201 6.53413 HAL2 6027 0 0 0 0.09 6032 6030 C9 SLES 1 -7.16462 41.0326 4.90642 CTL2 6027 6031 6032 6033 -0.18 6033 6031 H91 SLES 1 -7.283 40.9172 3.8058 HAL2 6030 0 0 0 0.09 6034 6032 H92 SLES 1 -6.11299 41.3165 5.136 HAL2 6030 0 0 0 0.09 6035 6033 C10 SLES 1 -7.64717 39.8175 5.69583 CTL2 6030 6034 6035 6036 -0.18 6036 6034 H10 SLES 1 -8.73289 39.6273 5.47836 HAL2 6033 0 0 0 0.09 6037 6035 H10 SLES 1 -7.57124 40.0236 6.7982 HAL2 6033 0 0 0 0.09 6038 6036 C11 SLES 1 -6.90477 38.5498 5.42332 CTL2 6033 6037 6038 6039 -0.18 6039 6037 H11 SLES 1 -7.00054 38.3369 4.33311 HAL2 6036 0 0 0 0.09 6040 6038 H11 SLES 1 -5.83164 38.7358 5.66054 HAL2 6036 0 0 0 0.09 6041 6039 C12 SLES 1 -7.49359 37.4244 6.27877 CTL3 6036 6040 6041 6042 -0.27 6042 6040 H12 SLES 1 -7.89808 36.625 5.62805 HAL3 6039 0 0 0 0.09 6043 6041 H12 SLES 1 -6.72138 37.0262 6.96544 HAL3 6039 0 0 0 0.09 6044 6042 H12 SLES 1 -8.34017 37.7744 6.9193 HAL3 6039 0 0 0 0.09 6045 6043 NA SLES 1 -24.1616 55.6507 2.05345 NA 0 0 0 0 1 6046 6044 S SLES 1 -26.0906 53.7966 3.47315 SL 6045 6046 6047 6048 1.33 6047 6045 OS1 SLES 1 -24.8762 52.99 3.26337 OSL 6044 6049 0 0 -0.28 6048 6046 OS2 SLES 1 -26.1972 54.0566 2.05481 O2L 6044 0 0 0 -0.65 6049 6047 OS3 SLES 1 -25.3435 54.7807 4.22185 O2L 6044 0 0 0 -0.65 6050 6048 OS4 SLES 1 -27.0445 52.9486 4.13104 O2L 6044 0 0 0 -0.65 6051 6049 C2 SLES 1 -24.6472 51.694 3.64934 CC32A 6045 6050 6051 6052 -0.11 6052 6050 H2A SLES 1 -25.3887 51.0001 3.17206 HCA2 6049 0 0 0 0.09 6053 6051 H2B SLES 1 -24.6982 51.5932 4.76595 HCA2 6049 0 0 0 0.09 6054 6052 C1 SLES 1 -23.2183 51.447 3.11954 CC32A 6049 6053 6054 6055 -0.01 6055 6053 H1B SLES 1 -23.1741 51.5825 2.00778 HCA2 6052 0 0 0 0.09 6056 6054 H1A SLES 1 -22.4907 52.1497 3.59497 HCA2 6052 0 0 0 0.09 6057 6055 O1 SLES 1 -22.6353 50.2011 3.32433 OC30A 6052 6056 0 0 -0.34 6058 6056 C2 SLES 1 -23.3967 49.2129 3.99402 CC32A 6055 6057 6058 6059 -0.01 6059 6057 H2A SLES 1 -24.3472 48.9972 3.42699 HCA2 6056 0 0 0 0.09 6060 6058 H2B SLES 1 -23.668 49.5406 5.02482 HCA2 6056 0 0 0 0.09 6061 6059 C1 SLES 1 -22.2248 48.2148 3.67597 CC32A 6056 6060 6061 6062 -0.01 6062 6060 H1B SLES 1 -22.9103 47.5857 3.09291 HCA2 6059 0 0 0 0.09 6063 6061 H1A SLES 1 -22.1484 48.2363 4.82318 HCA2 6059 0 0 0 0.09 6064 6062 O1 SLES 1 -21.2516 47.2196 3.86185 OC30A 6059 6063 0 0 -0.34 6065 6063 C1 SLES 1 -21.6718 45.9545 4.35265 CTL2 6062 6064 6065 6066 -0.18 6066 6064 H11 SLES 1 -22.5726 45.5037 3.85009 HAL2 6063 0 0 0 0.09 6067 6065 H12 SLES 1 -21.9037 46.0177 5.44568 HAL2 6063 0 0 0 0.09 6068 6066 C2 SLES 1 -20.4033 45.1501 4.07184 CTL2 6063 6067 6068 6069 -0.18 6069 6067 H21 SLES 1 -20.1871 45.0253 2.98358 HAL2 6066 0 0 0 0.09 6070 6068 H22 SLES 1 -19.4983 45.5686 4.57597 HAL2 6066 0 0 0 0.09 6071 6069 C3 SLES 1 -20.7114 43.8325 4.6596 CTL2 6066 6070 6071 6072 -0.18 6072 6070 H31 SLES 1 -21.6256 43.4784 4.10992 HAL2 6069 0 0 0 0.09 6073 6071 H32 SLES 1 -20.9215 44.0415 5.74492 HAL2 6069 0 0 0 0.09 6074 6072 C4 SLES 1 -19.72 42.7151 4.62127 CTL2 6069 6073 6074 6075 -0.18 6075 6073 H41 SLES 1 -19.4569 42.4401 3.57012 HAL2 6072 0 0 0 0.09 6076 6074 H42 SLES 1 -18.778 42.9883 5.15224 HAL2 6072 0 0 0 0.09 6077 6075 C5 SLES 1 -20.5609 41.6573 5.34859 CTL2 6072 6076 6077 6078 -0.18 6078 6076 H51 SLES 1 -21.5271 41.4807 4.80511 HAL2 6075 0 0 0 0.09 6079 6077 H52 SLES 1 -20.8551 42.0219 6.36787 HAL2 6075 0 0 0 0.09 6080 6078 C6 SLES 1 -19.9508 40.337 5.54343 CTL2 6075 6079 6080 6081 -0.18 6081 6079 H61 SLES 1 -20.6557 39.594 5.08094 HAL2 6078 0 0 0 0.09 6082 6080 H62 SLES 1 -19.9816 40.1365 6.64804 HAL2 6078 0 0 0 0.09 6083 6081 C7 SLES 1 -18.5299 40.1429 5.00033 CTL2 6078 6082 6083 6084 -0.18 6084 6082 H71 SLES 1 -18.4492 40.2503 3.89284 HAL2 6081 0 0 0 0.09 6085 6083 H72 SLES 1 -17.767 40.7994 5.47955 HAL2 6081 0 0 0 0.09 6086 6084 C8 SLES 1 -18.3189 38.727 5.39838 CTL2 6081 6085 6086 6087 -0.18 6087 6085 H81 SLES 1 -19.1336 38.1322 4.89785 HAL2 6084 0 0 0 0.09 6088 6086 H82 SLES 1 -18.4376 38.6936 6.51875 HAL2 6084 0 0 0 0.09 6089 6087 C9 SLES 1 -17.0363 38.0385 5.08579 CTL2 6084 6088 6089 6090 -0.18 6090 6088 H91 SLES 1 -16.8701 38.016 3.98553 HAL2 6087 0 0 0 0.09 6091 6089 H92 SLES 1 -16.1874 38.5662 5.57576 HAL2 6087 0 0 0 0.09 6092 6090 C10 SLES 1 -17.3145 36.6603 5.6823 CTL2 6087 6091 6092 6093 -0.18 6093 6091 H10 SLES 1 -18.2245 36.2119 5.19974 HAL2 6090 0 0 0 0.09 6094 6092 H10 SLES 1 -17.5464 36.7581 6.77777 HAL2 6090 0 0 0 0.09 6095 6093 C11 SLES 1 -16.2002 35.6743 5.54507 CTL2 6090 6094 6095 6096 -0.18 6096 6094 H11 SLES 1 -15.9875 35.5634 4.45627 HAL2 6093 0 0 0 0.09 6097 6095 H11 SLES 1 -15.305 36.1133 6.04354 HAL2 6093 0 0 0 0.09 6098 6096 C12 SLES 1 -16.6177 34.3466 6.18354 CTL3 6093 6097 6098 6099 -0.27 6099 6097 H12 SLES 1 -16.6228 33.5438 5.4209 HAL3 6096 0 0 0 0.09 6100 6098 H12 SLES 1 -15.936 34.0968 7.01981 HAL3 6096 0 0 0 0.09 6101 6099 H12 SLES 1 -17.6488 34.3859 6.61338 HAL3 6096 0 0 0 0.09 6102 6100 NA SLES 1 -37.1442 48.057 2.53509 NA 0 0 0 0 1 6103 6101 S SLES 1 -38.6826 45.5593 3.28943 SL 6102 6103 6104 6105 1.33 6104 6102 OS1 SLES 1 -37.2696 45.1438 3.27745 OSL 6101 6106 0 0 -0.28 6105 6103 OS2 SLES 1 -38.5922 46.0062 1.91728 O2L 6101 0 0 0 -0.65 6106 6104 OS3 SLES 1 -38.4073 46.5717 4.28267 O2L 6101 0 0 0 -0.65 6107 6105 OS4 SLES 1 -39.455 44.3968 3.62664 O2L 6101 0 0 0 -0.65 6108 6106 C2 SLES 1 -36.751 43.9086 3.5717 CC32A 6102 6107 6108 6109 -0.11 6109 6107 H2A SLES 1 -37.156 43.1305 2.87217 HCA2 6106 0 0 0 0.09 6110 6108 H2B SLES 1 -36.9788 43.6204 4.63216 HCA2 6106 0 0 0 0.09 6111 6109 C1 SLES 1 -35.239 44.1332 3.35451 CC32A 6106 6110 6111 6112 -0.01 6112 6110 H1B SLES 1 -35.0285 44.452 2.30074 HCA2 6109 0 0 0 0.09 6113 6111 H1A SLES 1 -34.8492 44.9165 4.05002 HCA2 6109 0 0 0 0.09 6114 6112 O1 SLES 1 -34.3688 43.0676 3.55784 OC30A 6109 6113 0 0 -0.34 6115 6113 C2 SLES 1 -34.9222 41.8203 3.93555 CC32A 6112 6114 6115 6116 -0.01 6116 6114 H2A SLES 1 -35.6453 41.4567 3.15048 HCA2 6113 0 0 0 0.09 6117 6115 H2B SLES 1 -35.465 41.8958 4.90671 HCA2 6113 0 0 0 0.09 6118 6116 C1 SLES 1 -33.4732 41.2287 3.78969 CC32A 6113 6117 6118 6119 -0.01 6119 6117 H1B SLES 1 -33.8247 40.5438 3.00679 HCA2 6116 0 0 0 0.09 6120 6118 H1A SLES 1 -33.6227 41.0853 4.92083 HCA2 6116 0 0 0 0.09 6121 6119 O1 SLES 1 -32.306 40.507 4.08781 OC30A 6116 6120 0 0 -0.34 6122 6120 C1 SLES 1 -32.4253 39.1143 4.34081 CTL2 6119 6121 6122 6123 -0.18 6123 6121 H11 SLES 1 -33.0457 38.5297 3.60558 HAL2 6120 0 0 0 0.09 6124 6122 H12 SLES 1 -32.866 38.9384 5.35436 HAL2 6120 0 0 0 0.09 6125 6123 C2 SLES 1 -30.9488 38.7264 4.27238 CTL2 6120 6124 6125 6126 -0.18 6126 6124 H21 SLES 1 -30.5058 38.8388 3.25369 HAL2 6123 0 0 0 0.09 6127 6125 H22 SLES 1 -30.3154 39.2811 5.0068 HAL2 6123 0 0 0 0.09 6128 6126 C3 SLES 1 -30.9658 37.2976 4.63926 CTL2 6123 6127 6128 6129 -0.18 6129 6127 H31 SLES 1 -31.618 36.809 3.86514 HAL2 6126 0 0 0 0.09 6130 6128 H32 SLES 1 -31.427 37.2674 5.66499 HAL2 6126 0 0 0 0.09 6131 6129 C4 SLES 1 -29.704 36.5003 4.71181 CTL2 6126 6130 6131 6132 -0.18 6132 6130 H41 SLES 1 -29.1804 36.4761 3.72441 HAL2 6129 0 0 0 0.09 6133 6131 H42 SLES 1 -28.9988 36.9222 5.46583 HAL2 6129 0 0 0 0.09 6134 6132 C5 SLES 1 -30.3226 35.1566 5.12044 CTL2 6129 6133 6134 6135 -0.18 6135 6133 H51 SLES 1 -31.0763 34.8224 4.35864 HAL2 6132 0 0 0 0.09 6136 6134 H52 SLES 1 -30.8955 35.2631 6.07904 HAL2 6132 0 0 0 0.09 6137 6135 C6 SLES 1 -29.4035 34.029 5.31269 CTL2 6132 6136 6137 6138 -0.18 6138 6136 H61 SLES 1 -29.7628 33.2112 4.63074 HAL2 6135 0 0 0 0.09 6139 6137 H62 SLES 1 -29.5812 33.653 6.35595 HAL2 6135 0 0 0 0.09 6140 6138 C7 SLES 1 -27.9119 34.3038 5.08616 CTL2 6135 6139 6140 6141 -0.18 6141 6139 H71 SLES 1 -27.6598 34.6048 4.04189 HAL2 6138 0 0 0 0.09 6142 6140 H72 SLES 1 -27.4762 35.0518 5.7886 HAL2 6138 0 0 0 0.09 6143 6141 C8 SLES 1 -27.3777 32.948 5.37592 CTL2 6138 6142 6143 6144 -0.18 6144 6142 H81 SLES 1 -27.876 32.2486 4.64742 HAL2 6141 0 0 0 0.09 6145 6143 H82 SLES 1 -27.6894 32.7055 6.43163 HAL2 6141 0 0 0 0.09 6146 6144 C9 SLES 1 -25.9157 32.6792 5.2916 CTL2 6141 6145 6146 6147 -0.18 6147 6145 H91 SLES 1 -25.5471 32.8777 4.26039 HAL2 6144 0 0 0 0.09 6148 6146 H92 SLES 1 -25.364 33.3254 6.01075 HAL2 6144 0 0 0 0.09 6149 6147 C10 SLES 1 -25.8887 31.1992 5.66754 CTL2 6144 6148 6149 6150 -0.18 6150 6148 H10 SLES 1 -26.5223 30.6111 4.94983 HAL2 6147 0 0 0 0.09 6151 6149 H10 SLES 1 -26.3401 31.0558 6.68693 HAL2 6147 0 0 0 0.09 6152 6150 C11 SLES 1 -24.5312 30.575 5.68517 CTL2 6147 6151 6152 6153 -0.18 6153 6151 H11 SLES 1 -24.0954 30.6998 4.66659 HAL2 6150 0 0 0 0.09 6154 6152 H11 SLES 1 -23.9119 31.1475 6.41397 HAL2 6150 0 0 0 0.09 6155 6153 C12 SLES 1 -24.6575 29.0997 6.07556 CTL3 6150 6154 6155 6156 -0.27 6156 6154 H12 SLES 1 -24.2865 28.4567 5.254 HAL3 6153 0 0 0 0.09 6157 6155 H12 SLES 1 -24.1019 28.9067 7.01397 HAL3 6153 0 0 0 0.09 6158 6156 H12 SLES 1 -25.717 28.7979 6.2643 HAL3 6153 0 0 0 0.09 6159 6157 NA SLES 1 -47.9515 37.3926 3.04594 NA 0 0 0 0 1 6160 6158 S SLES 1 -48.7855 34.4812 3.09601 SL 6159 6160 6161 6162 1.33 6161 6159 OS1 SLES 1 -47.3259 34.4597 3.29248 OSL 6158 6163 0 0 -0.28 6162 6160 OS2 SLES 1 -48.6359 35.2036 1.85246 O2L 6158 0 0 0 -0.65 6163 6161 OS3 SLES 1 -48.9609 35.3082 4.26753 O2L 6158 0 0 0 -0.65 6164 6162 OS4 SLES 1 -49.225 33.1142 3.09498 O2L 6158 0 0 0 -0.65 6165 6163 C2 SLES 1 -46.5169 33.3695 3.48727 CC32A 6159 6164 6165 6166 -0.11 6166 6164 H2A SLES 1 -46.5741 32.6705 2.61147 HCA2 6163 0 0 0 0.09 6167 6165 H2B SLES 1 -46.7985 32.8239 4.42672 HCA2 6163 0 0 0 0.09 6168 6166 C1 SLES 1 -45.1213 34.0196 3.60253 CC32A 6163 6167 6168 6169 -0.01 6169 6167 H1B SLES 1 -44.8658 34.5881 2.67094 HCA2 6166 0 0 0 0.09 6170 6168 H1A SLES 1 -45.0793 34.7203 4.47229 HCA2 6166 0 0 0 0.09 6171 6169 O1 SLES 1 -44.0161 33.1995 3.80303 OC30A 6166 6170 0 0 -0.34 6172 6170 C2 SLES 1 -44.2294 31.8013 3.87038 CC32A 6169 6171 6172 6173 -0.01 6173 6171 H2A SLES 1 -44.6964 31.428 2.9143 HCA2 6170 0 0 0 0.09 6174 6172 H2B SLES 1 -44.9026 31.535 4.71864 HCA2 6170 0 0 0 0.09 6175 6173 C1 SLES 1 -42.6655 31.6501 3.91693 CC32A 6170 6174 6175 6176 -0.01 6176 6174 H1B SLES 1 -42.6875 31.0699 2.98501 HCA2 6173 0 0 0 0.09 6177 6175 H1A SLES 1 -42.9254 31.2475 4.96227 HCA2 6173 0 0 0 0.09 6178 6176 O1 SLES 1 -41.3932 31.2129 4.31945 OC30A 6173 6177 0 0 -0.34 6179 6177 C1 SLES 1 -41.1358 29.8159 4.32715 CTL2 6176 6178 6179 6180 -0.18 6180 6178 H11 SLES 1 -41.4481 29.2507 3.40509 HAL2 6177 0 0 0 0.09 6181 6179 H12 SLES 1 -41.645 29.3304 5.19743 HAL2 6177 0 0 0 0.09 6182 6180 C2 SLES 1 -39.6163 29.8485 4.4854 CTL2 6177 6181 6182 6183 -0.18 6183 6181 H21 SLES 1 -39.0856 30.2758 3.6008 HAL2 6180 0 0 0 0.09 6184 6182 H22 SLES 1 -39.2828 30.3892 5.40457 HAL2 6180 0 0 0 0.09 6185 6183 C3 SLES 1 -39.2677 28.4212 4.61761 CTL2 6180 6184 6185 6186 -0.18 6186 6184 H31 SLES 1 -39.6326 27.9462 3.66653 HAL2 6183 0 0 0 0.09 6187 6185 H32 SLES 1 -39.8405 28.0653 5.51818 HAL2 6183 0 0 0 0.09 6188 6186 C4 SLES 1 -37.8519 27.9828 4.80808 CTL2 6183 6187 6188 6189 -0.18 6189 6187 H41 SLES 1 -37.2096 28.2958 3.94829 HAL2 6186 0 0 0 0.09 6190 6188 H42 SLES 1 -37.4145 28.4128 5.7396 HAL2 6186 0 0 0 0.09 6191 6189 C5 SLES 1 -38.1031 26.4705 4.878 CTL2 6186 6190 6191 6192 -0.18 6192 6190 H51 SLES 1 -38.6108 26.1123 3.94312 HAL2 6189 0 0 0 0.09 6193 6191 H52 SLES 1 -38.8119 26.2281 5.71308 HAL2 6189 0 0 0 0.09 6194 6192 C6 SLES 1 -36.9321 25.6068 5.06763 CTL2 6189 6193 6194 6195 -0.18 6195 6193 H61 SLES 1 -36.937 24.8788 4.21158 HAL2 6192 0 0 0 0.09 6196 6194 H62 SLES 1 -37.1384 24.995 5.98652 HAL2 6192 0 0 0 0.09 6197 6195 C7 SLES 1 -35.5691 26.3009 5.17765 CTL2 6192 6196 6197 6198 -0.18 6198 6196 H71 SLES 1 -35.2705 26.8616 4.26053 HAL2 6195 0 0 0 0.09 6199 6197 H72 SLES 1 -35.4745 26.9789 6.05751 HAL2 6195 0 0 0 0.09 6200 6198 C8 SLES 1 -34.7095 25.1018 5.3525 CTL2 6195 6199 6200 6201 -0.18 6201 6199 H81 SLES 1 -34.8737 24.4586 4.44282 HAL2 6198 0 0 0 0.09 6202 6200 H82 SLES 1 -35.0831 24.5785 6.27824 HAL2 6198 0 0 0 0.09 6203 6201 C9 SLES 1 -33.2361 25.2462 5.51091 CTL2 6198 6202 6203 6204 -0.18 6204 6202 H91 SLES 1 -32.7992 25.7379 4.61311 HAL2 6201 0 0 0 0.09 6205 6203 H92 SLES 1 -33.0044 25.855 6.41364 HAL2 6201 0 0 0 0.09 6206 6204 C10 SLES 1 -32.8323 23.7801 5.65247 CTL2 6201 6205 6206 6207 -0.18 6207 6205 H10 SLES 1 -33.1585 23.2047 4.74435 HAL2 6204 0 0 0 0.09 6208 6206 H10 SLES 1 -33.3619 23.3213 6.53138 HAL2 6204 0 0 0 0.09 6209 6207 C11 SLES 1 -31.3686 23.5413 5.83483 CTL2 6204 6208 6209 6210 -0.18 6210 6208 H11 SLES 1 -30.8484 23.9783 4.95085 HAL2 6207 0 0 0 0.09 6211 6209 H11 SLES 1 -31.0529 24.0961 6.74857 HAL2 6207 0 0 0 0.09 6212 6210 C12 SLES 1 -31.1132 22.0368 5.96161 CTL3 6207 6211 6212 6213 -0.27 6213 6211 H12 SLES 1 -30.4583 21.6923 5.13781 HAL3 6210 0 0 0 0.09 6214 6212 H12 SLES 1 -30.6643 21.81 6.9483 HAL3 6210 0 0 0 0.09 6215 6213 H12 SLES 1 -32.0543 21.4375 5.89399 HAL3 6210 0 0 0 0.09 6216 6214 NA SLES 1 -55.8345 24.2463 3.5539 NA 0 0 0 0 1 6217 6215 S SLES 1 -55.7919 21.288 2.90503 SL 6216 6217 6218 6219 1.33 6218 6216 OS1 SLES 1 -54.4114 21.6066 3.30754 OSL 6215 6220 0 0 -0.28 6219 6217 OS2 SLES 1 -55.7501 22.291 1.86442 O2L 6215 0 0 0 -0.65 6220 6218 OS3 SLES 1 -56.3002 21.7463 4.17737 O2L 6215 0 0 0 -0.65 6221 6219 OS4 SLES 1 -55.8155 19.8921 2.56948 O2L 6215 0 0 0 -0.65 6222 6220 C2 SLES 1 -53.3418 20.7533 3.40135 CC32A 6216 6221 6222 6223 -0.11 6223 6221 H2A SLES 1 -53.118 20.2855 2.40635 HCA2 6220 0 0 0 0.09 6224 6222 H2B SLES 1 -53.5342 19.9513 4.16252 HCA2 6220 0 0 0 0.09 6225 6223 C1 SLES 1 -52.2094 21.7029 3.84803 CC32A 6220 6224 6225 6226 -0.01 6226 6224 H1B SLES 1 -52.0492 22.5176 3.09511 HCA2 6223 0 0 0 0.09 6227 6225 H1A SLES 1 -52.4477 22.1696 4.83524 HCA2 6223 0 0 0 0.09 6228 6226 O1 SLES 1 -50.9361 21.1791 4.0445 OC30A 6223 6227 0 0 -0.34 6229 6227 C2 SLES 1 -50.741 19.7978 3.8026 CC32A 6226 6228 6229 6230 -0.01 6230 6228 H2A SLES 1 -50.995 19.5458 2.73327 HCA2 6227 0 0 0 0.09 6231 6229 H2B SLES 1 -51.3794 19.1754 4.47242 HCA2 6227 0 0 0 0.09 6232 6230 C1 SLES 1 -49.2104 20.0568 4.04972 CC32A 6227 6231 6232 6233 -0.01 6233 6231 H1B SLES 1 -48.9825 19.7226 3.02896 HCA2 6230 0 0 0 0.09 6234 6232 H1A SLES 1 -49.4326 19.3701 4.9449 HCA2 6230 0 0 0 0.09 6235 6233 O1 SLES 1 -47.906 19.8892 4.54222 OC30A 6230 6234 0 0 -0.34 6236 6234 C1 SLES 1 -47.2573 18.6465 4.31251 CTL2 6233 6235 6236 6237 -0.18 6237 6235 H11 SLES 1 -47.3114 18.2476 3.26123 HAL2 6234 0 0 0 0.09 6238 6236 H12 SLES 1 -47.6781 17.8569 4.98475 HAL2 6234 0 0 0 0.09 6239 6237 C2 SLES 1 -45.832 19.0404 4.69751 CTL2 6234 6238 6239 6240 -0.18 6240 6238 H21 SLES 1 -45.3727 19.7843 4.00308 HAL2 6237 0 0 0 0.09 6241 6239 H22 SLES 1 -45.7504 19.4224 5.74426 HAL2 6237 0 0 0 0.09 6242 6240 C3 SLES 1 -45.0984 17.7645 4.596 CTL2 6237 6241 6242 6243 -0.18 6243 6241 H31 SLES 1 -45.2261 17.4429 3.52658 HAL2 6240 0 0 0 0.09 6244 6242 H32 SLES 1 -45.6199 17.0726 5.31372 HAL2 6240 0 0 0 0.09 6245 6243 C4 SLES 1 -43.6384 17.6824 4.90403 CTL2 6240 6244 6245 6246 -0.18 6246 6244 H41 SLES 1 -43.0419 18.343 4.22768 HAL2 6243 0 0 0 0.09 6247 6245 H42 SLES 1 -43.4269 17.9853 5.95635 HAL2 6243 0 0 0 0.09 6248 6246 C5 SLES 1 -43.4467 16.1835 4.6365 CTL2 6243 6247 6248 6249 -0.18 6249 6247 H51 SLES 1 -43.7457 15.9301 3.58465 HAL2 6246 0 0 0 0.09 6250 6248 H52 SLES 1 -44.1249 15.5773 5.29298 HAL2 6246 0 0 0 0.09 6251 6249 C6 SLES 1 -42.0971 15.6388 4.82362 CTL2 6246 6250 6251 6252 -0.18 6252 6250 H61 SLES 1 -41.8167 15.153 3.84981 HAL2 6249 0 0 0 0.09 6253 6251 H62 SLES 1 -42.1967 14.7993 5.56297 HAL2 6249 0 0 0 0.09 6254 6252 C7 SLES 1 -41.008 16.6222 5.26905 CTL2 6249 6253 6254 6255 -0.18 6255 6253 H71 SLES 1 -40.8057 17.4376 4.53502 HAL2 6252 0 0 0 0.09 6256 6254 H72 SLES 1 -41.1905 17.0792 6.26938 HAL2 6252 0 0 0 0.09 6257 6255 C8 SLES 1 -39.857 15.6848 5.32958 CTL2 6252 6256 6257 6258 -0.18 6258 6256 H81 SLES 1 -39.7484 15.249 4.2969 HAL2 6255 0 0 0 0.09 6259 6257 H82 SLES 1 -40.1423 14.8826 6.06822 HAL2 6255 0 0 0 0.09 6260 6258 C9 SLES 1 -38.5079 16.1712 5.72994 CTL2 6255 6259 6260 6261 -0.18 6261 6259 H91 SLES 1 -38.1555 16.9539 5.02153 HAL2 6258 0 0 0 0.09 6262 6260 H92 SLES 1 -38.5416 16.5941 6.75911 HAL2 6258 0 0 0 0.09 6263 6261 C10 SLES 1 -37.7112 14.8714 5.63804 CTL2 6258 6262 6263 6264 -0.18 6264 6262 H10 SLES 1 -37.7769 14.456 4.5962 HAL2 6261 0 0 0 0.09 6265 6263 H10 SLES 1 -38.1599 14.0995 6.3209 HAL2 6261 0 0 0 0.09 6266 6264 C11 SLES 1 -36.2627 14.9907 5.98464 CTL2 6261 6265 6266 6267 -0.18 6267 6265 H11 SLES 1 -35.8163 15.7409 5.29119 HAL2 6264 0 0 0 0.09 6268 6266 H11 SLES 1 -36.2017 15.3827 7.02631 HAL2 6264 0 0 0 0.09 6269 6267 C12 SLES 1 -35.5951 13.6193 5.84885 CTL3 6264 6268 6269 6270 -0.27 6270 6268 H12 SLES 1 -34.7996 13.659 5.07966 HAL3 6267 0 0 0 0.09 6271 6269 H12 SLES 1 -35.1875 13.2973 6.82691 HAL3 6267 0 0 0 0.09 6272 6270 H12 SLES 1 -36.3131 12.8259 5.52572 HAL3 6267 0 0 0 0.09 6273 6271 NA SLES 1 -60.1973 9.40702 4.02705 NA 0 0 0 0 1 6274 6272 S SLES 1 -59.3 6.82188 2.7285 SL 6273 6274 6275 6276 1.33 6275 6273 OS1 SLES 1 -58.0779 7.39096 3.32166 OSL 6272 6277 0 0 -0.28 6276 6274 OS2 SLES 1 -59.5164 8.0225 1.95241 O2L 6272 0 0 0 -0.65 6277 6275 OS3 SLES 1 -59.9514 6.80028 4.01786 O2L 6272 0 0 0 -0.65 6278 6276 OS4 SLES 1 -58.9177 5.59744 2.08315 O2L 6272 0 0 0 -0.65 6279 6277 C2 SLES 1 -56.8131 6.8605 3.31936 CC32A 6273 6278 6279 6280 -0.11 6280 6278 H2A SLES 1 -56.4392 6.72876 2.2697 HCA2 6277 0 0 0 0.09 6281 6279 H2B SLES 1 -56.7906 5.87516 3.85617 HCA2 6277 0 0 0 0.09 6282 6280 C1 SLES 1 -56.0089 7.93985 4.07558 CC32A 6277 6281 6282 6283 -0.01 6283 6281 H1B SLES 1 -56.0662 8.92638 3.5466 HCA2 6280 0 0 0 0.09 6284 6282 H1A SLES 1 -56.3962 8.06858 5.11606 HCA2 6280 0 0 0 0.09 6285 6283 O1 SLES 1 -54.6451 7.74598 4.26708 OC30A 6280 6284 0 0 -0.34 6286 6284 C2 SLES 1 -54.0598 6.57094 3.73649 CC32A 6283 6285 6286 6287 -0.01 6287 6285 H2A SLES 1 -54.2031 6.53012 2.61878 HCA2 6284 0 0 0 0.09 6288 6286 H2B SLES 1 -54.5133 5.6555 4.18352 HCA2 6284 0 0 0 0.09 6289 6287 C1 SLES 1 -52.6728 7.16301 4.17969 CC32A 6284 6288 6289 6290 -0.01 6290 6288 H1B SLES 1 -52.332 7.16308 3.13587 HCA2 6287 0 0 0 0.09 6291 6289 H1A SLES 1 -52.7151 6.24413 4.8698 HCA2 6287 0 0 0 0.09 6292 6290 O1 SLES 1 -51.3882 7.23665 4.74213 OC30A 6287 6291 0 0 -0.34 6293 6291 C1 SLES 1 -50.4077 6.3097 4.29782 CTL2 6290 6292 6293 6294 -0.18 6294 6292 H11 SLES 1 -50.3182 6.18124 3.18303 HAL2 6291 0 0 0 0.09 6295 6293 H12 SLES 1 -50.6052 5.29629 4.72967 HAL2 6291 0 0 0 0.09 6296 6294 C2 SLES 1 -49.1634 6.9652 4.89538 CTL2 6291 6295 6296 6297 -0.18 6297 6295 H21 SLES 1 -48.9156 7.95185 4.43526 HAL2 6294 0 0 0 0.09 6298 6296 H22 SLES 1 -49.2217 7.08644 6.00454 HAL2 6294 0 0 0 0.09 6299 6297 C3 SLES 1 -48.0957 5.99874 4.57579 CTL2 6294 6298 6299 6300 -0.18 6300 6298 H31 SLES 1 -48.0982 5.92701 3.45408 HAL2 6297 0 0 0 0.09 6301 6299 H32 SLES 1 -48.4187 5.03819 5.06447 HAL2 6297 0 0 0 0.09 6302 6300 C4 SLES 1 -46.6813 6.23909 4.99365 CTL2 6297 6301 6302 6303 -0.18 6303 6301 H41 SLES 1 -46.2786 7.18056 4.54504 HAL2 6300 0 0 0 0.09 6304 6302 H42 SLES 1 -46.5927 6.32014 6.10246 HAL2 6300 0 0 0 0.09 6305 6303 C5 SLES 1 -46.0652 4.95994 4.41113 CTL2 6300 6304 6305 6306 -0.18 6306 6304 H51 SLES 1 -46.2517 4.90137 3.30577 HAL2 6303 0 0 0 0.09 6307 6305 H52 SLES 1 -46.561 4.05208 4.84515 HAL2 6303 0 0 0 0.09 6308 6306 C6 SLES 1 -44.622 4.76936 4.59602 CTL2 6303 6307 6308 6309 -0.18 6309 6307 H61 SLES 1 -44.1893 4.63092 3.56815 HAL2 6306 0 0 0 0.09 6310 6308 H62 SLES 1 -44.4993 3.77934 5.11192 HAL2 6306 0 0 0 0.09 6311 6309 C7 SLES 1 -43.869 5.8689 5.35463 CTL2 6306 6310 6311 6312 -0.18 6312 6310 H71 SLES 1 -43.8865 6.86274 4.8481 HAL2 6309 0 0 0 0.09 6313 6311 H72 SLES 1 -44.2003 6.00031 6.41089 HAL2 6309 0 0 0 0.09 6314 6312 C8 SLES 1 -42.5014 5.2901 5.30861 CTL2 6309 6313 6314 6315 -0.18 6315 6313 H81 SLES 1 -42.246 5.16647 4.21883 HAL2 6312 0 0 0 0.09 6316 6314 H82 SLES 1 -42.5673 4.28516 5.81477 HAL2 6312 0 0 0 0.09 6317 6315 C9 SLES 1 -41.3569 6.00758 5.93493 CTL2 6312 6316 6317 6318 -0.18 6318 6316 H91 SLES 1 -41.222 7.00503 5.45998 HAL2 6315 0 0 0 0.09 6319 6317 H92 SLES 1 -41.5368 6.1402 7.02546 HAL2 6315 0 0 0 0.09 6320 6318 C10 SLES 1 -40.2222 5.03343 5.62517 CTL2 6315 6319 6320 6321 -0.18 6321 6319 H10 SLES 1 -40.1393 4.88428 4.5147 HAL2 6318 0 0 0 0.09 6322 6320 H10 SLES 1 -40.4517 4.02643 6.06871 HAL2 6318 0 0 0 0.09 6323 6321 C11 SLES 1 -38.8768 5.44884 6.12518 CTL2 6318 6322 6323 6324 -0.18 6324 6322 H11 SLES 1 -38.643 6.43765 5.66623 HAL2 6321 0 0 0 0.09 6325 6323 H11 SLES 1 -38.9575 5.57506 7.22973 HAL2 6321 0 0 0 0.09 6326 6324 C12 SLES 1 -37.8443 4.38405 5.74437 CTL3 6321 6325 6326 6327 -0.27 6327 6325 H12 SLES 1 -37.0723 4.82334 5.08318 HAL3 6324 0 0 0 0.09 6328 6326 H12 SLES 1 -37.3885 3.95392 6.65743 HAL3 6324 0 0 0 0.09 6329 6327 H12 SLES 1 -38.2988 3.53125 5.18263 HAL3 6324 0 0 0 0.09 6330 6328 NA SLES 1 -60.6595 -6.17705 4.43567 NA 0 0 0 0 1 6331 6329 S SLES 1 -59.1292 -8.01541 2.57751 SL 6330 6331 6332 6333 1.33 6332 6330 OS1 SLES 1 -58.0918 -7.29369 3.33397 OSL 6329 6334 0 0 -0.28 6333 6331 OS2 SLES 1 -59.6957 -6.76963 2.11091 O2L 6329 0 0 0 -0.65 6334 6332 OS3 SLES 1 -59.7039 -8.53013 3.79902 O2L 6329 0 0 0 -0.65 6335 6333 OS4 SLES 1 -58.4464 -8.89053 1.66655 O2L 6329 0 0 0 -0.65 6336 6334 C2 SLES 1 -56.7306 -7.43696 3.24643 CC32A 6330 6335 6336 6337 -0.11 6337 6335 H2A SLES 1 -56.3717 -7.19993 2.21009 HCA2 6334 0 0 0 0.09 6338 6336 H2B SLES 1 -56.4181 -8.47775 3.52692 HCA2 6334 0 0 0 0.09 6339 6337 C1 SLES 1 -56.2298 -6.39611 4.27087 CC32A 6334 6338 6339 6340 -0.01 6340 6338 H1B SLES 1 -56.5758 -5.36574 3.99705 HCA2 6337 0 0 0 0.09 6341 6339 H1A SLES 1 -56.601 -6.63741 5.29711 HCA2 6337 0 0 0 0.09 6342 6340 O1 SLES 1 -54.8597 -6.24647 4.45678 OC30A 6337 6341 0 0 -0.34 6343 6341 C2 SLES 1 -53.9916 -7.04762 3.67618 CC32A 6340 6342 6343 6344 -0.01 6344 6342 H2A SLES 1 -54.157 -6.8523 2.57802 HCA2 6341 0 0 0 0.09 6345 6343 H2B SLES 1 -54.1588 -8.13298 3.8701 HCA2 6341 0 0 0 0.09 6346 6344 C1 SLES 1 -52.8074 -6.22238 4.29868 CC32A 6341 6345 6346 6347 -0.01 6347 6345 H1B SLES 1 -52.5166 -5.87342 3.29903 HCA2 6344 0 0 0 0.09 6348 6346 H1A SLES 1 -52.5702 -7.25671 4.74171 HCA2 6344 0 0 0 0.09 6349 6347 O1 SLES 1 -51.5742 -5.93647 4.90661 OC30A 6344 6348 0 0 -0.34 6350 6348 C1 SLES 1 -50.3921 -6.41894 4.284 CTL2 6347 6349 6350 6351 -0.18 6351 6349 H11 SLES 1 -50.3095 -6.2415 3.17541 HAL2 6348 0 0 0 0.09 6352 6350 H12 SLES 1 -50.2868 -7.52095 4.44824 HAL2 6348 0 0 0 0.09 6353 6351 C2 SLES 1 -49.3571 -5.61185 5.06659 CTL2 6348 6352 6353 6354 -0.18 6354 6352 H21 SLES 1 -49.4076 -4.51389 4.87019 HAL2 6351 0 0 0 0.09 6355 6353 H22 SLES 1 -49.4078 -5.78599 6.16906 HAL2 6351 0 0 0 0.09 6356 6354 C3 SLES 1 -48.0759 -6.13738 4.55825 CTL2 6351 6355 6356 6357 -0.18 6357 6355 H31 SLES 1 -48.0977 -5.93095 3.45358 HAL2 6354 0 0 0 0.09 6358 6356 H32 SLES 1 -48.1037 -7.23879 4.78607 HAL2 6354 0 0 0 0.09 6359 6357 C4 SLES 1 -46.7691 -5.62535 5.07129 CTL2 6354 6358 6359 6360 -0.18 6360 6358 H41 SLES 1 -46.658 -4.52945 4.88043 HAL2 6357 0 0 0 0.09 6361 6359 H42 SLES 1 -46.6676 -5.7962 6.16874 HAL2 6357 0 0 0 0.09 6362 6360 C5 SLES 1 -45.8445 -6.50212 4.21603 CTL2 6357 6361 6362 6363 -0.18 6363 6361 H51 SLES 1 -46.0461 -6.33824 3.124 HAL2 6360 0 0 0 0.09 6364 6362 H52 SLES 1 -46.0548 -7.58893 4.39771 HAL2 6360 0 0 0 0.09 6365 6363 C6 SLES 1 -44.3993 -6.32587 4.39911 CTL2 6360 6364 6365 6366 -0.18 6366 6364 H61 SLES 1 -43.9814 -6.08416 3.3843 HAL2 6363 0 0 0 0.09 6367 6365 H62 SLES 1 -43.99 -7.33824 4.66169 HAL2 6363 0 0 0 0.09 6368 6366 C7 SLES 1 -43.9531 -5.28097 5.42901 CTL2 6363 6367 6368 6369 -0.18 6369 6367 H71 SLES 1 -44.2621 -4.23829 5.18012 HAL2 6366 0 0 0 0.09 6370 6368 H72 SLES 1 -44.2707 -5.50815 6.47315 HAL2 6366 0 0 0 0.09 6371 6369 C8 SLES 1 -42.4813 -5.4301 5.2909 CTL2 6366 6370 6371 6372 -0.18 6372 6370 H81 SLES 1 -42.2399 -5.20847 4.21352 HAL2 6369 0 0 0 0.09 6373 6371 H82 SLES 1 -42.2494 -6.50605 5.53381 HAL2 6369 0 0 0 0.09 6374 6372 C9 SLES 1 -41.5584 -4.59998 6.11301 CTL2 6369 6373 6374 6375 -0.18 6375 6373 H91 SLES 1 -41.7209 -3.51956 5.90092 HAL2 6372 0 0 0 0.09 6376 6374 H92 SLES 1 -41.7297 -4.79259 7.19594 HAL2 6372 0 0 0 0.09 6377 6375 C10 SLES 1 -40.2103 -5.11656 5.61465 CTL2 6372 6376 6377 6378 -0.18 6378 6376 H10 SLES 1 -40.1283 -4.96124 4.50497 HAL2 6375 0 0 0 0.09 6379 6377 H10 SLES 1 -40.1371 -6.22431 5.79066 HAL2 6375 0 0 0 0.09 6380 6378 C11 SLES 1 -39.0154 -4.48093 6.24763 CTL2 6375 6379 6380 6381 -0.18 6381 6379 H11 SLES 1 -39.0799 -3.38513 6.0524 HAL2 6378 0 0 0 0.09 6382 6380 H11 SLES 1 -39.0891 -4.6555 7.34607 HAL2 6378 0 0 0 0.09 6383 6381 C12 SLES 1 -37.7429 -5.09265 5.65472 CTL3 6378 6382 6383 6384 -0.27 6384 6382 H12 SLES 1 -37.1458 -4.3097 5.14816 HAL3 6381 0 0 0 0.09 6385 6383 H12 SLES 1 -37.1544 -5.58951 6.45052 HAL3 6381 0 0 0 0.09 6386 6384 H12 SLES 1 -37.9636 -5.87381 4.88628 HAL3 6381 0 0 0 0.09 6387 6385 NA SLES 1 -57.107 -21.4617 4.75407 NA 0 0 0 0 1 6388 6386 S SLES 1 -55.3217 -22.317 2.46154 SL 6387 6388 6389 6390 1.33 6389 6387 OS1 SLES 1 -54.4497 -21.5228 3.34368 OSL 6386 6391 0 0 -0.28 6390 6388 OS2 SLES 1 -56.2437 -21.2109 2.32995 O2L 6386 0 0 0 -0.65 6391 6389 OS3 SLES 1 -55.6188 -23.2376 3.53461 O2L 6386 0 0 0 -0.65 6392 6390 OS4 SLES 1 -54.5182 -22.7311 1.34585 O2L 6386 0 0 0 -0.65 6393 6391 C2 SLES 1 -53.1147 -21.2503 3.18715 CC32A 6387 6392 6393 6394 -0.11 6394 6392 H2A SLES 1 -52.9324 -20.6917 2.23128 HCA2 6391 0 0 0 0.09 6395 6393 H2B SLES 1 -52.509 -22.195 3.19546 HCA2 6391 0 0 0 0.09 6396 6394 C1 SLES 1 -52.8175 -20.372 4.42165 CC32A 6391 6395 6396 6397 -0.01 6397 6395 H1B SLES 1 -53.4519 -19.448 4.41815 HCA2 6394 0 0 0 0.09 6398 6396 H1A SLES 1 -53.0115 -20.9358 5.36702 HCA2 6394 0 0 0 0.09 6399 6397 O1 SLES 1 -51.5268 -19.8864 4.60168 OC30A 6394 6398 0 0 -0.34 6400 6398 C2 SLES 1 -50.5532 -20.2087 3.62548 CC32A 6397 6399 6400 6401 -0.01 6401 6399 H2A SLES 1 -50.868 -19.8236 2.61356 HCA2 6398 0 0 0 0.09 6402 6400 H2B SLES 1 -50.4034 -21.3113 3.55185 HCA2 6398 0 0 0 0.09 6403 6401 C1 SLES 1 -49.5809 -19.2459 4.39923 CC32A 6398 6402 6403 6404 -0.01 6404 6402 H1B SLES 1 -49.4905 -18.6107 3.50817 HCA2 6401 0 0 0 0.09 6405 6403 H1A SLES 1 -49.0337 -20.243 4.56865 HCA2 6401 0 0 0 0.09 6406 6404 O1 SLES 1 -48.4182 -18.7683 5.02533 OC30A 6401 6405 0 0 -0.34 6407 6405 C1 SLES 1 -47.2143 -18.7407 4.27192 CTL2 6404 6406 6407 6408 -0.18 6408 6406 H11 SLES 1 -47.2877 -18.2995 3.23884 HAL2 6405 0 0 0 0.09 6409 6407 H12 SLES 1 -46.8017 -19.7748 4.15812 HAL2 6405 0 0 0 0.09 6410 6408 C2 SLES 1 -46.3651 -17.8736 5.20038 CTL2 6405 6409 6410 6411 -0.18 6411 6409 H21 SLES 1 -46.7271 -16.8204 5.28054 HAL2 6408 0 0 0 0.09 6412 6410 H22 SLES 1 -46.2627 -18.3013 6.22747 HAL2 6408 0 0 0 0.09 6413 6411 C3 SLES 1 -45.0438 -17.884 4.54448 CTL2 6408 6412 6413 6414 -0.18 6414 6412 H31 SLES 1 -45.2246 -17.4463 3.52512 HAL2 6411 0 0 0 0.09 6415 6413 H32 SLES 1 -44.753 -18.9698 4.49604 HAL2 6411 0 0 0 0.09 6416 6414 C4 SLES 1 -43.8802 -17.1533 5.13209 CTL2 6411 6415 6416 6417 -0.18 6417 6415 H41 SLES 1 -44.0863 -16.0575 5.21277 HAL2 6414 0 0 0 0.09 6418 6416 H42 SLES 1 -43.6333 -17.5336 6.15104 HAL2 6414 0 0 0 0.09 6419 6417 C5 SLES 1 -42.8392 -17.513 4.06347 CTL2 6414 6418 6419 6420 -0.18 6420 6418 H51 SLES 1 -43.1797 -17.1688 3.05075 HAL2 6417 0 0 0 0.09 6421 6419 H52 SLES 1 -42.7316 -18.6264 3.97878 HAL2 6417 0 0 0 0.09 6422 6420 C6 SLES 1 -41.4839 -16.9807 4.24527 CTL2 6417 6421 6422 6423 -0.18 6423 6421 H61 SLES 1 -41.2442 -16.4059 3.30982 HAL2 6420 0 0 0 0.09 6424 6422 H62 SLES 1 -40.7947 -17.8675 4.24058 HAL2 6420 0 0 0 0.09 6425 6423 C7 SLES 1 -41.2396 -16.1154 5.48751 CTL2 6420 6424 6425 6426 -0.18 6426 6424 H71 SLES 1 -41.8396 -15.1751 5.5102 HAL2 6423 0 0 0 0.09 6427 6425 H72 SLES 1 -41.3843 -16.6549 6.45226 HAL2 6423 0 0 0 0.09 6428 6426 C8 SLES 1 -39.8018 -15.8055 5.27756 CTL2 6423 6427 6428 6429 -0.18 6429 6427 H81 SLES 1 -39.7318 -15.2852 4.28129 HAL2 6426 0 0 0 0.09 6430 6428 H82 SLES 1 -39.2674 -16.7973 5.243 HAL2 6426 0 0 0 0.09 6431 6429 C9 SLES 1 -39.0624 -14.9577 6.25297 CTL2 6426 6430 6431 6432 -0.18 6432 6430 H91 SLES 1 -39.5286 -13.949 6.31664 HAL2 6429 0 0 0 0.09 6433 6431 H92 SLES 1 -39.0725 -15.4323 7.25985 HAL2 6429 0 0 0 0.09 6434 6432 C10 SLES 1 -37.6785 -14.9431 5.60715 CTL2 6429 6433 6434 6435 -0.18 6435 6433 H10 SLES 1 -37.7465 -14.5224 4.56761 HAL2 6432 0 0 0 0.09 6436 6434 H10 SLES 1 -37.294 -15.9943 5.50422 HAL2 6432 0 0 0 0.09 6437 6435 C11 SLES 1 -36.644 -14.1563 6.34429 CTL2 6432 6436 6437 6438 -0.18 6438 6436 H11 SLES 1 -37.0188 -13.1093 6.42543 HAL2 6435 0 0 0 0.09 6439 6437 H11 SLES 1 -36.564 -14.59 7.36799 HAL2 6435 0 0 0 0.09 6440 6438 C12 SLES 1 -35.316 -14.2302 5.58555 CTL3 6435 6439 6440 6441 -0.27 6441 6439 H12 SLES 1 -35.002 -13.2162 5.27051 HAL3 6438 0 0 0 0.09 6442 6440 H12 SLES 1 -34.5431 -14.7074 6.21917 HAL3 6438 0 0 0 0.09 6443 6441 H12 SLES 1 -35.3903 -14.8454 4.65529 HAL3 6438 0 0 0 0.09 6444 6442 NA SLES 1 -49.7194 -35.3886 4.96226 NA 0 0 0 0 1 6445 6443 S SLES 1 -48.1322 -35.2217 2.38789 SL 6444 6445 6446 6447 1.33 6446 6444 OS1 SLES 1 -47.3792 -34.3994 3.3502 OSL 6443 6448 0 0 -0.28 6447 6445 OS2 SLES 1 -49.3216 -34.4263 2.59577 O2L 6443 0 0 0 -0.65 6448 6446 OS3 SLES 1 -48.0141 -36.3815 3.24122 O2L 6443 0 0 0 -0.65 6449 6447 OS4 SLES 1 -47.4226 -35.1573 1.14122 O2L 6443 0 0 0 -0.65 6450 6448 C2 SLES 1 -46.2014 -33.7271 3.14526 CC32A 6444 6449 6450 6451 -0.11 6451 6449 H2A SLES 1 -46.3162 -32.9628 2.33193 HCA2 6448 0 0 0 0.09 6452 6450 H2B SLES 1 -45.3741 -34.4386 2.88262 HCA2 6448 0 0 0 0.09 6453 6451 C1 SLES 1 -45.9662 -33.0618 4.51843 CC32A 6448 6452 6453 6454 -0.01 6454 6452 H1B SLES 1 -46.8146 -32.379 4.78344 HCA2 6451 0 0 0 0.09 6455 6453 H1A SLES 1 -45.8627 -33.8323 5.32139 HCA2 6451 0 0 0 0.09 6456 6454 O1 SLES 1 -44.8368 -32.2691 4.69268 OC30A 6451 6455 0 0 -0.34 6457 6455 C2 SLES 1 -43.9685 -32.0971 3.58757 CC32A 6454 6456 6457 6458 -0.01 6458 6456 H2A SLES 1 -44.52 -31.6279 2.72315 HCA2 6455 0 0 0 0.09 6459 6457 H2B SLES 1 -43.5466 -33.0721 3.24877 HCA2 6455 0 0 0 0.09 6460 6458 C1 SLES 1 -43.1803 -31.0665 4.475 CC32A 6455 6459 6460 6461 -0.01 6461 6459 H1B SLES 1 -43.3933 -30.2697 3.75016 HCA2 6458 0 0 0 0.09 6462 6460 H1A SLES 1 -42.3712 -31.8757 4.36152 HCA2 6458 0 0 0 0.09 6463 6461 O1 SLES 1 -42.1048 -30.4063 5.09084 OC30A 6458 6462 0 0 -0.34 6464 6462 C1 SLES 1 -41.076 -29.8837 4.26234 CTL2 6461 6463 6464 6465 -0.18 6465 6463 H11 SLES 1 -41.4151 -29.2881 3.36935 HAL2 6462 0 0 0 0.09 6466 6464 H12 SLES 1 -40.4274 -30.7107 3.87756 HAL2 6462 0 0 0 0.09 6467 6465 C2 SLES 1 -40.357 -29.0089 5.28833 CTL2 6462 6466 6467 6468 -0.18 6468 6466 H21 SLES 1 -40.9673 -28.1428 5.64052 HAL2 6465 0 0 0 0.09 6469 6467 H22 SLES 1 -39.9946 -29.5823 6.17611 HAL2 6465 0 0 0 0.09 6470 6468 C3 SLES 1 -39.1918 -28.5072 4.53536 CTL2 6465 6469 6470 6471 -0.18 6471 6469 H31 SLES 1 -39.6305 -27.9486 3.6642 HAL2 6468 0 0 0 0.09 6472 6470 H32 SLES 1 -38.6361 -29.4307 4.21257 HAL2 6468 0 0 0 0.09 6473 6471 C4 SLES 1 -38.1878 -27.602 5.17221 CTL2 6468 6472 6473 6474 -0.18 6474 6472 H41 SLES 1 -38.6606 -26.651 5.52117 HAL2 6471 0 0 0 0.09 6475 6473 H42 SLES 1 -37.7013 -28.0877 6.05045 HAL2 6471 0 0 0 0.09 6476 6474 C5 SLES 1 -37.2591 -27.4273 3.96304 CTL2 6471 6475 6476 6477 -0.18 6477 6475 H51 SLES 1 -37.8244 -27.0038 3.09063 HAL2 6474 0 0 0 0.09 6478 6476 H52 SLES 1 -36.8761 -28.4225 3.61469 HAL2 6474 0 0 0 0.09 6479 6477 C6 SLES 1 -36.0802 -26.5725 4.14416 CTL2 6474 6478 6479 6480 -0.18 6480 6478 H61 SLES 1 -36.1416 -25.7804 3.34939 HAL2 6477 0 0 0 0.09 6481 6479 H62 SLES 1 -35.1906 -27.203 3.87506 HAL2 6477 0 0 0 0.09 6482 6480 C7 SLES 1 -35.8909 -25.9362 5.52646 CTL2 6477 6481 6482 6483 -0.18 6483 6481 H71 SLES 1 -36.7069 -25.2333 5.8176 HAL2 6480 0 0 0 0.09 6484 6482 H72 SLES 1 -35.7439 -26.6735 6.34951 HAL2 6480 0 0 0 0.09 6485 6483 C8 SLES 1 -34.6329 -25.1886 5.26944 CTL2 6480 6484 6485 6486 -0.18 6486 6484 H81 SLES 1 -34.8507 -24.4847 4.4179 HAL2 6483 0 0 0 0.09 6487 6485 H82 SLES 1 -33.8676 -25.9564 4.9606 HAL2 6483 0 0 0 0.09 6488 6486 C9 SLES 1 -34.0065 -24.3729 6.34603 CTL2 6483 6487 6488 6489 -0.18 6489 6487 H91 SLES 1 -34.7069 -23.5754 6.68102 HAL2 6486 0 0 0 0.09 6490 6488 H92 SLES 1 -33.742 -25.0189 7.21317 HAL2 6486 0 0 0 0.09 6491 6489 C10 SLES 1 -32.7868 -23.8317 5.60315 CTL2 6486 6490 6491 6492 -0.18 6492 6490 H10 SLES 1 -33.1164 -23.2524 4.69869 HAL2 6489 0 0 0 0.09 6493 6491 H10 SLES 1 -32.1589 -24.685 5.22739 HAL2 6489 0 0 0 0.09 6494 6492 C11 SLES 1 -31.8984 -22.9408 6.40909 CTL2 6489 6493 6494 6495 -0.18 6495 6493 H11 SLES 1 -32.5191 -22.0844 6.76189 HAL2 6492 0 0 0 0.09 6496 6494 H11 SLES 1 -31.5562 -23.5256 7.29414 HAL2 6492 0 0 0 0.09 6497 6495 C12 SLES 1 -30.7253 -22.4764 5.5412 CTL3 6492 6496 6497 6498 -0.27 6498 6496 H12 SLES 1 -30.7395 -21.3736 5.44255 HAL3 6495 0 0 0 0.09 6499 6497 H12 SLES 1 -29.7691 -22.8248 5.97792 HAL3 6495 0 0 0 0.09 6500 6498 H12 SLES 1 -30.7721 -22.8909 4.50417 HAL3 6495 0 0 0 0.09 6501 6499 NA SLES 1 -38.97 -46.9758 5.04715 NA 0 0 0 0 1 6502 6500 S SLES 1 -38.0079 -45.9589 2.36118 SL 6501 6502 6503 6504 1.33 6503 6501 OS1 SLES 1 -37.3246 -45.1112 3.3531 OSL 6500 6505 0 0 -0.28 6504 6502 OS2 SLES 1 -39.3004 -45.5868 2.89167 O2L 6500 0 0 0 -0.65 6505 6503 OS3 SLES 1 -37.4294 -47.1508 2.93731 O2L 6500 0 0 0 -0.65 6506 6504 OS4 SLES 1 -37.5934 -45.4992 1.06549 O2L 6500 0 0 0 -0.65 6507 6505 C2 SLES 1 -36.4251 -44.1016 3.12337 CC32A 6501 6506 6507 6508 -0.11 6508 6506 H2A SLES 1 -36.8897 -43.2882 2.50573 HCA2 6505 0 0 0 0.09 6509 6507 H2B SLES 1 -35.5076 -44.4917 2.60804 HCA2 6505 0 0 0 0.09 6510 6508 C1 SLES 1 -36.1117 -43.6164 4.55513 CC32A 6505 6509 6510 6511 -0.01 6511 6509 H1B SLES 1 -37.0413 -43.26 5.06997 HCA2 6508 0 0 0 0.09 6512 6510 H1A SLES 1 -35.6582 -44.4374 5.16309 HCA2 6508 0 0 0 0.09 6513 6511 O1 SLES 1 -35.2164 -42.5657 4.72406 OC30A 6508 6512 0 0 -0.34 6514 6512 C2 SLES 1 -34.6527 -41.9798 3.56482 CC32A 6511 6513 6514 6515 -0.01 6515 6513 H2A SLES 1 -35.4632 -41.5646 2.89992 HCA2 6512 0 0 0 0.09 6516 6514 H2B SLES 1 -34.0645 -42.7252 2.97989 HCA2 6512 0 0 0 0.09 6517 6515 C1 SLES 1 -34.0049 -40.9138 4.52125 CC32A 6512 6516 6517 6518 -0.01 6518 6516 H1B SLES 1 -34.5537 -40.112 4.0098 HCA2 6515 0 0 0 0.09 6519 6517 H1A SLES 1 -33.0503 -41.4243 4.13331 HCA2 6515 0 0 0 0.09 6520 6518 O1 SLES 1 -33.041 -40.0718 5.099 OC30A 6515 6519 0 0 -0.34 6521 6519 C1 SLES 1 -32.3635 -39.1508 4.25586 CTL2 6518 6520 6521 6522 -0.18 6522 6520 H11 SLES 1 -33.0116 -38.5498 3.55872 HAL2 6519 0 0 0 0.09 6523 6521 H12 SLES 1 -31.6085 -39.6832 3.62417 HAL2 6519 0 0 0 0.09 6524 6522 C2 SLES 1 -31.7139 -38.2733 5.32493 CTL2 6519 6523 6524 6525 -0.18 6525 6523 H21 SLES 1 -32.4492 -37.6879 5.92751 HAL2 6522 0 0 0 0.09 6526 6524 H22 SLES 1 -31.0506 -38.8458 6.01821 HAL2 6522 0 0 0 0.09 6527 6525 C3 SLES 1 -30.8874 -37.344 4.53144 CTL2 6522 6526 6527 6528 -0.18 6528 6526 H31 SLES 1 -31.6158 -36.8104 3.86207 HAL2 6525 0 0 0 0.09 6529 6527 H32 SLES 1 -30.1831 -38.0041 3.9535 HAL2 6525 0 0 0 0.09 6530 6528 C4 SLES 1 -30.051 -36.2948 5.18914 CTL2 6525 6529 6530 6531 -0.18 6531 6529 H41 SLES 1 -30.679 -35.5886 5.78627 HAL2 6528 0 0 0 0.09 6532 6530 H42 SLES 1 -29.295 -36.7468 5.87332 HAL2 6528 0 0 0 0.09 6533 6531 C5 SLES 1 -29.4508 -35.6729 3.92104 CTL2 6528 6532 6533 6534 -0.18 6534 6532 H51 SLES 1 -30.264 -35.3034 3.24113 HAL2 6531 0 0 0 0.09 6535 6533 H52 SLES 1 -28.8961 -36.4471 3.32832 HAL2 6531 0 0 0 0.09 6536 6534 C6 SLES 1 -28.5236 -34.5501 4.10214 CTL2 6531 6535 6536 6537 -0.18 6537 6535 H61 SLES 1 -28.9413 -33.6977 3.50051 HAL2 6534 0 0 0 0.09 6538 6536 H62 SLES 1 -27.5694 -34.8444 3.58808 HAL2 6534 0 0 0 0.09 6539 6537 C7 SLES 1 -28.2443 -34.107 5.54341 CTL2 6534 6538 6539 6540 -0.18 6540 6538 H71 SLES 1 -29.1434 -33.7262 6.08301 HAL2 6537 0 0 0 0.09 6541 6539 H72 SLES 1 -27.7544 -34.887 6.17138 HAL2 6537 0 0 0 0.09 6542 6540 C8 SLES 1 -27.2986 -32.9949 5.26704 CTL2 6537 6541 6542 6543 -0.18 6543 6541 H81 SLES 1 -27.8522 -32.2627 4.61476 HAL2 6540 0 0 0 0.09 6544 6542 H82 SLES 1 -26.4339 -33.449 4.70437 HAL2 6540 0 0 0 0.09 6545 6543 C9 SLES 1 -26.7114 -32.208 6.38633 CTL2 6540 6544 6545 6546 -0.18 6546 6544 H91 SLES 1 -27.5174 -31.7109 6.97116 HAL2 6543 0 0 0 0.09 6547 6545 H92 SLES 1 -26.1258 -32.8743 7.05884 HAL2 6543 0 0 0 0.09 6548 6546 C10 SLES 1 -25.8417 -31.227 5.60288 CTL2 6543 6547 6548 6549 -0.18 6549 6547 H10 SLES 1 -26.4787 -30.6369 4.88997 HAL2 6546 0 0 0 0.09 6550 6548 H10 SLES 1 -25.0976 -31.7916 4.97756 HAL2 6546 0 0 0 0.09 6551 6549 C11 SLES 1 -25.0784 -30.251 6.43795 CTL2 6546 6550 6551 6552 -0.18 6552 6550 H11 SLES 1 -25.8209 -29.6779 7.04064 HAL2 6549 0 0 0 0.09 6553 6551 H11 SLES 1 -24.4317 -30.8397 7.12914 HAL2 6549 0 0 0 0.09 6554 6552 C12 SLES 1 -24.2569 -29.3369 5.52446 CTL3 6549 6553 6554 6555 -0.27 6555 6553 H12 SLES 1 -24.5768 -28.2847 5.65347 HAL3 6552 0 0 0 0.09 6556 6554 H12 SLES 1 -23.1774 -29.4543 5.74193 HAL3 6552 0 0 0 0.09 6557 6555 H12 SLES 1 -24.3928 -29.5821 4.44242 HAL3 6552 0 0 0 0.09 6558 6556 NA SLES 1 -25.5939 -55.4059 5.0034 NA 0 0 0 0 1 6559 6557 S SLES 1 -25.5614 -53.887 2.38309 SL 6558 6559 6560 6561 1.33 6560 6558 OS1 SLES 1 -24.9194 -52.9826 3.35222 OSL 6557 6562 0 0 -0.28 6561 6559 OS2 SLES 1 -26.7527 -53.9617 3.19906 O2L 6557 0 0 0 -0.65 6562 6560 OS3 SLES 1 -24.5765 -54.9118 2.64197 O2L 6557 0 0 0 -0.65 6563 6561 OS4 SLES 1 -25.5843 -53.1981 1.12345 O2L 6557 0 0 0 -0.65 6564 6562 C2 SLES 1 -24.3916 -51.7376 3.12286 CC32A 6558 6563 6564 6565 -0.11 6565 6563 H2A SLES 1 -25.1797 -51.0358 2.74174 HCA2 6562 0 0 0 0.09 6566 6564 H2B SLES 1 -23.5441 -51.7904 2.38899 HCA2 6562 0 0 0 0.09 6567 6565 C1 SLES 1 -23.9028 -51.33 4.52945 CC32A 6562 6566 6567 6568 -0.01 6568 6566 H1B SLES 1 -24.7529 -51.3127 5.25973 HCA2 6565 0 0 0 0.09 6569 6567 H1A SLES 1 -23.1253 -52.0413 4.90207 HCA2 6565 0 0 0 0.09 6570 6568 O1 SLES 1 -23.3002 -50.0875 4.69385 OC30A 6565 6569 0 0 -0.34 6571 6569 C2 SLES 1 -23.1853 -49.249 3.55867 CC32A 6568 6570 6571 6572 -0.01 6572 6570 H2A SLES 1 -24.2043 -49.0216 3.13275 HCA2 6569 0 0 0 0.09 6573 6571 H2B SLES 1 -22.5695 -49.7284 2.76212 HCA2 6569 0 0 0 0.09 6574 6572 C1 SLES 1 -22.6419 -48.1435 4.53505 CC32A 6569 6573 6574 6575 -0.01 6575 6573 H1B SLES 1 -23.4821 -47.4879 4.27077 HCA2 6572 0 0 0 0.09 6576 6574 H1A SLES 1 -21.6994 -48.3131 3.89838 HCA2 6572 0 0 0 0.09 6577 6575 O1 SLES 1 -21.8281 -47.1211 5.04932 OC30A 6572 6576 0 0 -0.34 6578 6576 C1 SLES 1 -21.6234 -45.9628 4.25288 CTL2 6575 6577 6578 6579 -0.18 6579 6577 H11 SLES 1 -22.5459 -45.5082 3.79506 HAL2 6576 0 0 0 0.09 6580 6578 H12 SLES 1 -20.9172 -46.1863 3.41389 HAL2 6576 0 0 0 0.09 6581 6579 C2 SLES 1 -21.0034 -45.0475 5.30786 CTL2 6576 6580 6581 6582 -0.18 6582 6580 H21 SLES 1 -21.7116 -44.7648 6.12349 HAL2 6579 0 0 0 0.09 6583 6581 H22 SLES 1 -20.075 -45.4701 5.76368 HAL2 6579 0 0 0 0.09 6584 6582 C3 SLES 1 -20.6499 -43.843 4.53298 CTL2 6579 6583 6584 6585 -0.18 6585 6583 H31 SLES 1 -21.6238 -43.4787 4.10632 HAL2 6582 0 0 0 0.09 6586 6584 H32 SLES 1 -19.9458 -44.2082 3.7351 HAL2 6582 0 0 0 0.09 6587 6585 C4 SLES 1 -19.9921 -42.6686 5.18181 CTL2 6582 6586 6587 6588 -0.18 6588 6586 H41 SLES 1 -20.6324 -42.2392 5.9914 HAL2 6585 0 0 0 0.09 6589 6587 H42 SLES 1 -19.0103 -42.9486 5.63075 HAL2 6585 0 0 0 0.09 6590 6588 C5 SLES 1 -19.8771 -41.7741 3.94011 CTL2 6585 6589 6590 6591 -0.18 6591 6589 H51 SLES 1 -20.89 -41.5896 3.4928 HAL2 6588 0 0 0 0.09 6592 6590 H52 SLES 1 -19.2868 -42.2899 3.13765 HAL2 6588 0 0 0 0.09 6593 6591 C6 SLES 1 -19.2606 -40.4549 4.12186 CTL2 6588 6592 6593 6594 -0.18 6594 6592 H61 SLES 1 -20.0113 -39.7041 3.75369 HAL2 6591 0 0 0 0.09 6595 6593 H62 SLES 1 -18.4035 -40.4062 3.39768 HAL2 6591 0 0 0 0.09 6596 6594 C7 SLES 1 -18.7906 -40.0983 5.53729 CTL2 6591 6595 6596 6597 -0.18 6597 6595 H71 SLES 1 -19.6129 -40.0514 6.28976 HAL2 6594 0 0 0 0.09 6598 6596 H72 SLES 1 -17.9852 -40.7621 5.92904 HAL2 6594 0 0 0 0.09 6599 6597 C8 SLES 1 -18.2568 -38.7376 5.27051 CTL2 6594 6598 6599 6600 -0.18 6600 6598 H81 SLES 1 -19.115 -38.1354 4.85949 HAL2 6597 0 0 0 0.09 6601 6599 H82 SLES 1 -17.4528 -38.8619 4.4904 HAL2 6597 0 0 0 0.09 6602 6600 C9 SLES 1 -17.6604 -37.9318 6.37136 CTL2 6597 6601 6602 6603 -0.18 6603 6601 H91 SLES 1 -18.4157 -37.7519 7.16883 HAL2 6600 0 0 0 0.09 6604 6602 H92 SLES 1 -16.7849 -38.4641 6.80654 HAL2 6600 0 0 0 0.09 6605 6603 C10 SLES 1 -17.2776 -36.6666 5.60637 CTL2 6600 6604 6605 6606 -0.18 6606 6604 H10 SLES 1 -18.1904 -36.2177 5.12944 HAL2 6603 0 0 0 0.09 6607 6605 H10 SLES 1 -16.5719 -36.9247 4.77043 HAL2 6603 0 0 0 0.09 6608 6606 C11 SLES 1 -16.6294 -35.601 6.42907 CTL2 6603 6607 6608 6609 -0.18 6609 6607 H11 SLES 1 -17.341 -35.3321 7.24416 HAL2 6606 0 0 0 0.09 6610 6608 H11 SLES 1 -15.7128 -36.0436 6.88337 HAL2 6606 0 0 0 0.09 6611 6609 C12 SLES 1 -16.3035 -34.4003 5.53637 CTL3 6606 6610 6611 6612 -0.27 6612 6610 H12 SLES 1 -16.8506 -33.5049 5.89001 HAL3 6609 0 0 0 0.09 6613 6611 H12 SLES 1 -15.2107 -34.2208 5.52602 HAL3 6609 0 0 0 0.09 6614 6612 H12 SLES 1 -16.61 -34.5634 4.47391 HAL3 6609 0 0 0 0.09 6615 6613 NA SLES 1 -10.5264 -60.0999 4.83377 NA 0 0 0 0 1 6616 6614 S SLES 1 -11.5384 -58.5256 2.45224 SL 6615 6616 6617 6618 1.33 6617 6615 OS1 SLES 1 -10.9458 -57.5174 3.34759 OSL 6614 6619 0 0 -0.28 6618 6616 OS2 SLES 1 -12.4312 -58.9713 3.49862 O2L 6614 0 0 0 -0.65 6619 6617 OS3 SLES 1 -10.2834 -59.2369 2.37374 O2L 6614 0 0 0 -0.65 6620 6618 OS4 SLES 1 -12.0498 -57.8193 1.31143 O2L 6614 0 0 0 -0.65 6621 6619 C2 SLES 1 -10.8419 -56.1651 3.14377 CC32A 6615 6620 6621 6622 -0.11 6622 6620 H2A SLES 1 -11.8569 -55.7018 3.02514 HCA2 6619 0 0 0 0.09 6623 6621 H2B SLES 1 -10.2158 -55.9429 2.23923 HCA2 6619 0 0 0 0.09 6624 6622 C1 SLES 1 -10.1532 -55.6947 4.44301 CC32A 6619 6623 6624 6625 -0.01 6625 6623 H1B SLES 1 -10.7732 -55.9515 5.3408 HCA2 6622 0 0 0 0.09 6626 6624 H1A SLES 1 -9.14762 -56.1697 4.55472 HCA2 6622 0 0 0 0.09 6627 6625 O1 SLES 1 -9.88312 -54.34 4.60394 OC30A 6622 6626 0 0 -0.34 6628 6626 C2 SLES 1 -10.2758 -53.4565 3.56951 CC32A 6625 6627 6628 6629 -0.01 6629 6627 H2A SLES 1 -11.3902 -53.5114 3.40701 HCA2 6626 0 0 0 0.09 6630 6628 H2B SLES 1 -9.76695 -53.7062 2.60914 HCA2 6626 0 0 0 0.09 6631 6629 C1 SLES 1 -9.827 -52.2841 4.51555 CC32A 6626 6630 6631 6632 -0.01 6632 6630 H1B SLES 1 -10.8499 -51.8849 4.51667 HCA2 6629 0 0 0 0.09 6633 6631 H1A SLES 1 -9.05748 -52.1508 3.67149 HCA2 6629 0 0 0 0.09 6634 6632 O1 SLES 1 -9.2163 -51.0947 4.94491 OC30A 6629 6633 0 0 -0.34 6635 6633 C1 SLES 1 -9.52821 -49.8936 4.2536 CTL2 6632 6634 6635 6636 -0.18 6636 6634 H11 SLES 1 -10.6211 -49.7022 4.06353 HAL2 6633 0 0 0 0.09 6637 6635 H12 SLES 1 -9.01385 -49.8708 3.25992 HAL2 6633 0 0 0 0.09 6638 6636 C2 SLES 1 -8.93821 -48.8849 5.23822 CTL2 6633 6637 6638 6639 -0.18 6639 6637 H21 SLES 1 -9.47593 -48.8506 6.21613 HAL2 6636 0 0 0 0.09 6640 6638 H22 SLES 1 -7.84879 -49.0439 5.42851 HAL2 6636 0 0 0 0.09 6641 6639 C3 SLES 1 -9.11847 -47.598 4.53988 CTL2 6636 6640 6641 6642 -0.18 6642 6640 H31 SLES 1 -10.2277 -47.509 4.38158 HAL2 6639 0 0 0 0.09 6643 6641 H32 SLES 1 -8.55815 -47.7132 3.57109 HAL2 6639 0 0 0 0.09 6644 6642 C4 SLES 1 -8.66114 -46.3132 5.15069 CTL2 6639 6643 6644 6645 -0.18 6645 6643 H41 SLES 1 -9.17623 -46.1189 6.12367 HAL2 6642 0 0 0 0.09 6646 6644 H42 SLES 1 -7.56171 -46.3203 5.338 HAL2 6642 0 0 0 0.09 6647 6645 C5 SLES 1 -9.09442 -45.3715 4.01906 CTL2 6642 6646 6647 6648 -0.18 6648 6646 H51 SLES 1 -10.1969 -45.4649 3.82983 HAL2 6645 0 0 0 0.09 6649 6647 H52 SLES 1 -8.60116 -45.6631 3.05466 HAL2 6645 0 0 0 0.09 6650 6648 C6 SLES 1 -8.82767 -43.9402 4.20206 CTL2 6645 6649 6650 6651 -0.18 6651 6649 H61 SLES 1 -9.81772 -43.4198 4.09303 HAL2 6648 0 0 0 0.09 6652 6650 H62 SLES 1 -8.21741 -43.6185 3.31583 HAL2 6648 0 0 0 0.09 6653 6651 C7 SLES 1 -8.14074 -43.5244 5.5085 CTL2 6648 6652 6653 6654 -0.18 6654 6652 H71 SLES 1 -8.73728 -43.7458 6.42485 HAL2 6651 0 0 0 0.09 6655 6653 H72 SLES 1 -7.11722 -43.9468 5.63773 HAL2 6651 0 0 0 0.09 6656 6654 C8 SLES 1 -8.07118 -42.058 5.27964 CTL2 6651 6655 6656 6657 -0.18 6657 6655 H81 SLES 1 -9.1322 -41.7088 5.13673 HAL2 6654 0 0 0 0.09 6658 6656 H82 SLES 1 -7.47775 -41.9147 4.33214 HAL2 6654 0 0 0 0.09 6659 6657 C9 SLES 1 -7.46281 -41.1628 6.30204 CTL2 6654 6658 6659 6660 -0.18 6660 6658 H91 SLES 1 -8.02139 -41.2395 7.26162 HAL2 6657 0 0 0 0.09 6661 6659 H92 SLES 1 -6.39848 -41.4411 6.47214 HAL2 6657 0 0 0 0.09 6662 6660 C10 SLES 1 -7.62956 -39.8098 5.61341 CTL2 6657 6661 6662 6663 -0.18 6663 6661 H10 SLES 1 -8.71659 -39.6202 5.40205 HAL2 6660 0 0 0 0.09 6664 6662 H10 SLES 1 -7.10562 -39.8203 4.61901 HAL2 6660 0 0 0 0.09 6665 6663 C11 SLES 1 -7.10982 -38.6393 6.383 CTL2 6660 6664 6665 6666 -0.18 6666 6664 H11 SLES 1 -7.64722 -38.6192 7.35966 HAL2 6663 0 0 0 0.09 6667 6665 H11 SLES 1 -6.02645 -38.8208 6.57227 HAL2 6663 0 0 0 0.09 6668 6666 C12 SLES 1 -7.34348 -37.3589 5.5762 CTL3 6663 6667 6668 6669 -0.27 6669 6667 H12 SLES 1 -8.00689 -36.6725 6.13732 HAL3 6666 0 0 0 0.09 6670 6668 H12 SLES 1 -6.37488 -36.8749 5.34377 HAL3 6666 0 0 0 0.09 6671 6669 H12 SLES 1 -7.8439 -37.5577 4.59668 HAL3 6666 0 0 0 0.09 6672 6670 NA SLES 1 5.17836 -60.7651 4.54892 NA 0 0 0 0 1 6673 6671 S SLES 1 3.22032 -59.5812 2.56429 SL 6672 6673 6674 6675 1.33 6674 6672 OS1 SLES 1 3.71491 -58.4306 3.33952 OSL 6671 6676 0 0 -0.28 6675 6673 OS2 SLES 1 2.76974 -60.237 3.77153 O2L 6671 0 0 0 -0.65 6676 6674 OS3 SLES 1 4.56294 -59.9167 2.1495 O2L 6671 0 0 0 -0.65 6677 6675 OS4 SLES 1 2.27074 -59.0674 1.61763 O2L 6671 0 0 0 -0.65 6678 6676 C2 SLES 1 3.39059 -57.107 3.18478 CC32A 6672 6677 6678 6679 -0.11 6679 6677 H2A SLES 1 2.29073 -56.9467 3.33813 HCA2 6676 0 0 0 0.09 6680 6678 H2B SLES 1 3.68941 -56.7372 2.16817 HCA2 6676 0 0 0 0.09 6681 6679 C1 SLES 1 4.22132 -56.4384 4.30122 CC32A 6676 6680 6681 6682 -0.01 6682 6680 H1B SLES 1 3.936 -56.8398 5.30809 HCA2 6679 0 0 0 0.09 6683 6681 H1A SLES 1 5.3139 -56.6127 4.14287 HCA2 6679 0 0 0 0.09 6684 6682 O1 SLES 1 4.14045 -55.0591 4.45999 OC30A 6679 6683 0 0 -0.34 6685 6683 C2 SLES 1 3.27883 -54.34 3.59665 CC32A 6682 6684 6685 6686 -0.01 6686 6684 H2A SLES 1 2.21781 -54.7059 3.70549 HCA2 6683 0 0 0 0.09 6687 6685 H2B SLES 1 3.58429 -54.4571 2.53056 HCA2 6683 0 0 0 0.09 6688 6686 C1 SLES 1 3.60713 -53.0708 4.46398 CC32A 6683 6687 6688 6689 -0.01 6689 6687 H1B SLES 1 2.54695 -52.9719 4.73205 HCA2 6686 0 0 0 0.09 6690 6688 H1A SLES 1 4.07851 -52.7453 3.46688 HCA2 6686 0 0 0 0.09 6691 6689 O1 SLES 1 3.95429 -51.7504 4.79233 OC30A 6686 6690 0 0 -0.34 6692 6690 C1 SLES 1 3.16498 -50.6971 4.25797 CTL2 6689 6691 6692 6693 -0.18 6693 6691 H11 SLES 1 2.04965 -50.821 4.34724 HAL2 6690 0 0 0 0.09 6694 6692 H12 SLES 1 3.39267 -50.5516 3.17193 HAL2 6690 0 0 0 0.09 6695 6693 C2 SLES 1 3.67896 -49.5451 5.12036 CTL2 6690 6694 6695 6696 -0.18 6696 6694 H21 SLES 1 3.41002 -49.6426 6.19963 HAL2 6693 0 0 0 0.09 6697 6695 H22 SLES 1 4.7822 -49.3912 5.03378 HAL2 6693 0 0 0 0.09 6698 6696 C3 SLES 1 2.98681 -48.373 4.55171 CTL2 6693 6697 6698 6699 -0.18 6699 6697 H31 SLES 1 1.8922 -48.5991 4.67058 HAL2 6696 0 0 0 0.09 6700 6698 H32 SLES 1 3.30118 -48.3468 3.47177 HAL2 6696 0 0 0 0.09 6701 6699 C4 SLES 1 3.20982 -47 5.09773 CTL2 6696 6700 6701 6702 -0.18 6702 6700 H41 SLES 1 2.91683 -46.9377 6.17478 HAL2 6699 0 0 0 0.09 6703 6701 H42 SLES 1 4.27997 -46.6974 5.01347 HAL2 6699 0 0 0 0.09 6704 6702 C5 SLES 1 2.27058 -46.2383 4.15292 CTL2 6699 6703 6704 6705 -0.18 6705 6703 H51 SLES 1 1.22466 -46.6382 4.23103 HAL2 6702 0 0 0 0.09 6706 6704 H52 SLES 1 2.57208 -46.4 3.08458 HAL2 6702 0 0 0 0.09 6707 6705 C6 SLES 1 2.17108 -44.786 4.33771 CTL2 6702 6706 6707 6708 -0.18 6708 6706 H61 SLES 1 1.08111 -44.5637 4.4972 HAL2 6705 0 0 0 0.09 6709 6707 H62 SLES 1 2.43237 -44.3246 3.34766 HAL2 6705 0 0 0 0.09 6710 6708 C7 SLES 1 3.01685 -44.1701 5.45883 CTL2 6705 6709 6710 6711 -0.18 6711 6709 H71 SLES 1 2.74822 -44.5307 6.4798 HAL2 6708 0 0 0 0.09 6712 6710 H72 SLES 1 4.11604 -44.2886 5.31576 HAL2 6708 0 0 0 0.09 6713 6711 C8 SLES 1 2.62314 -42.7469 5.29385 CTL2 6708 6712 6713 6714 -0.18 6714 6712 H81 SLES 1 1.50581 -42.7094 5.42905 HAL2 6711 0 0 0 0.09 6715 6713 H82 SLES 1 2.90266 -42.4628 4.23953 HAL2 6711 0 0 0 0.09 6716 6714 C9 SLES 1 3.19459 -41.6981 6.18273 CTL2 6711 6715 6716 6717 -0.18 6717 6715 H91 SLES 1 2.9322 -41.9084 7.24368 HAL2 6714 0 0 0 0.09 6718 6716 H92 SLES 1 4.30226 -41.666 6.07665 HAL2 6714 0 0 0 0.09 6719 6717 C10 SLES 1 2.49927 -40.4585 5.62354 CTL2 6714 6718 6719 6720 -0.18 6720 6718 H10 SLES 1 1.38469 -40.5829 5.69067 HAL2 6717 0 0 0 0.09 6721 6719 H10 SLES 1 2.74483 -40.3424 4.53283 HAL2 6717 0 0 0 0.09 6722 6720 C11 SLES 1 2.85068 -39.1749 6.30264 CTL2 6717 6721 6722 6723 -0.18 6723 6721 H11 SLES 1 2.58563 -39.2859 7.37989 HAL2 6720 0 0 0 0.09 6724 6722 H11 SLES 1 3.95422 -39.0442 6.21539 HAL2 6720 0 0 0 0.09 6725 6723 C12 SLES 1 2.08401 -38.026 5.64143 CTL3 6720 6724 6725 6726 -0.27 6726 6724 H12 SLES 1 1.41693 -37.5403 6.37984 HAL3 6723 0 0 0 0.09 6727 6725 H12 SLES 1 2.79467 -37.2964 5.20662 HAL3 6723 0 0 0 0.09 6728 6726 H12 SLES 1 1.43249 -38.3752 4.803 HAL3 6723 0 0 0 0.09 6729 6727 NA SLES 1 20.4409 -57.4134 4.16674 NA 0 0 0 0 1 6730 6728 S SLES 1 17.822 -56.9661 2.7122 SL 6729 6730 6731 6732 1.33 6731 6729 OS1 SLES 1 18.1389 -55.6664 3.32851 OSL 6728 6733 0 0 -0.28 6732 6730 OS2 SLES 1 17.8691 -57.6205 4.00064 O2L 6728 0 0 0 -0.65 6733 6731 OS3 SLES 1 19.0694 -56.9581 1.98332 O2L 6728 0 0 0 -0.65 6734 6732 OS4 SLES 1 16.5726 -56.8058 2.02282 O2L 6728 0 0 0 -0.65 6735 6733 C2 SLES 1 17.4279 -54.4967 3.24332 CC32A 6729 6734 6735 6736 -0.11 6736 6734 H2A SLES 1 16.3948 -54.628 3.66103 HCA2 6733 0 0 0 0.09 6737 6735 H2B SLES 1 17.3646 -54.1424 2.18026 HCA2 6733 0 0 0 0.09 6738 6736 C1 SLES 1 18.273 -53.5411 4.11301 CC32A 6733 6737 6738 6739 -0.01 6739 6737 H1B SLES 1 18.3554 -53.9228 5.16366 HCA2 6736 0 0 0 0.09 6740 6738 H1A SLES 1 19.302 -53.4255 3.6924 HCA2 6736 0 0 0 0.09 6741 6739 O1 SLES 1 17.846 -52.227 4.27104 OC30A 6736 6740 0 0 -0.34 6742 6740 C2 SLES 1 16.6401 -51.8393 3.63839 CC32A 6739 6741 6742 6743 -0.01 6743 6741 H2A SLES 1 15.7811 -52.4686 4.0094 HCA2 6740 0 0 0 0.09 6744 6742 H2B SLES 1 16.7087 -51.9543 2.53131 HCA2 6740 0 0 0 0.09 6745 6743 C1 SLES 1 16.7902 -50.4634 4.38356 CC32A 6740 6744 6745 6746 -0.01 6746 6744 H1B SLES 1 15.8382 -50.6338 4.90338 HCA2 6743 0 0 0 0.09 6747 6745 H1A SLES 1 16.9046 -50.1034 3.29743 HCA2 6743 0 0 0 0.09 6748 6746 O1 SLES 1 16.8177 -49.0764 4.60118 OC30A 6743 6747 0 0 -0.34 6749 6747 C1 SLES 1 15.6616 -48.3222 4.26571 CTL2 6746 6748 6749 6750 -0.18 6750 6748 H11 SLES 1 14.6794 -48.7355 4.62839 HAL2 6747 0 0 0 0.09 6751 6749 H12 SLES 1 15.5792 -48.2079 3.15546 HAL2 6747 0 0 0 0.09 6752 6750 C2 SLES 1 16.0165 -47.0089 4.9617 CTL2 6747 6751 6752 6753 -0.18 6753 6751 H21 SLES 1 16.0454 -47.0888 6.075 HAL2 6750 0 0 0 0.09 6754 6752 H22 SLES 1 16.9796 -46.5697 4.60427 HAL2 6750 0 0 0 0.09 6755 6753 C3 SLES 1 14.9093 -46.1171 4.56772 CTL2 6750 6754 6755 6756 -0.18 6756 6754 H31 SLES 1 13.982 -46.6205 4.95513 HAL2 6753 0 0 0 0.09 6757 6755 H32 SLES 1 14.9426 -46.0934 3.44339 HAL2 6753 0 0 0 0.09 6758 6756 C4 SLES 1 14.8573 -44.6958 5.02626 CTL2 6753 6757 6758 6759 -0.18 6759 6757 H41 SLES 1 14.8182 -44.629 6.1415 HAL2 6756 0 0 0 0.09 6760 6758 H42 SLES 1 15.7483 -44.1228 4.67753 HAL2 6756 0 0 0 0.09 6761 6759 C5 SLES 1 13.5481 -44.2947 4.33329 CTL2 6756 6760 6761 6762 -0.18 6762 6760 H51 SLES 1 12.7056 -44.9551 4.67119 HAL2 6759 0 0 0 0.09 6763 6761 H52 SLES 1 13.6251 -44.4538 3.22552 HAL2 6759 0 0 0 0.09 6764 6762 C6 SLES 1 13.0892 -42.9135 4.52029 CTL2 6759 6763 6764 6765 -0.18 6765 6763 H61 SLES 1 12.0494 -42.9823 4.94081 HAL2 6762 0 0 0 0.09 6766 6764 H62 SLES 1 12.9715 -42.4795 3.49118 HAL2 6762 0 0 0 0.09 6767 6765 C7 SLES 1 13.9643 -42.0041 5.39141 CTL2 6762 6766 6767 6768 -0.18 6768 6766 H71 SLES 1 14.054 -42.341 6.45114 HAL2 6765 0 0 0 0.09 6769 6767 H72 SLES 1 14.9873 -41.8319 4.98335 HAL2 6765 0 0 0 0.09 6770 6768 C8 SLES 1 13.1583 -40.7584 5.31225 CTL2 6765 6769 6770 6771 -0.18 6771 6769 H81 SLES 1 12.1394 -41.0138 5.71808 HAL2 6768 0 0 0 0.09 6772 6770 H82 SLES 1 13.0924 -40.4947 4.21839 HAL2 6768 0 0 0 0.09 6773 6771 C9 SLES 1 13.6018 -39.5264 6.02093 CTL2 6768 6772 6773 6774 -0.18 6774 6772 H91 SLES 1 13.6643 -39.7142 7.11616 HAL2 6771 0 0 0 0.09 6775 6773 H92 SLES 1 14.5989 -39.2046 5.64491 HAL2 6771 0 0 0 0.09 6776 6774 C10 SLES 1 12.4749 -38.5701 5.63613 CTL2 6771 6775 6776 6777 -0.18 6777 6775 H10 SLES 1 11.4883 -38.9855 5.97717 HAL2 6774 0 0 0 0.09 6778 6776 H10 SLES 1 12.4163 -38.4795 4.51728 HAL2 6774 0 0 0 0.09 6779 6777 C11 SLES 1 12.5986 -37.1891 6.19303 CTL2 6774 6778 6779 6780 -0.18 6780 6778 H11 SLES 1 12.6345 -37.2811 7.30357 HAL2 6777 0 0 0 0.09 6781 6779 H11 SLES 1 13.5685 -36.7723 5.83515 HAL2 6777 0 0 0 0.09 6782 6780 C12 SLES 1 11.407 -36.3472 5.72797 CTL3 6777 6781 6782 6783 -0.27 6783 6781 H12 SLES 1 10.8215 -36.0026 6.60235 HAL3 6780 0 0 0 0.09 6784 6782 H12 SLES 1 11.7614 -35.4898 5.1232 HAL3 6780 0 0 0 0.09 6785 6783 H12 SLES 1 10.7035 -36.9256 5.07991 HAL3 6780 0 0 0 0.09 6786 6784 NA SLES 1 34.2467 -50.3474 3.71125 NA 0 0 0 0 1 6787 6785 S SLES 1 31.3691 -50.8094 2.88667 SL 6786 6787 6788 6789 1.33 6788 6786 OS1 SLES 1 31.418 -49.4012 3.31525 OSL 6785 6790 0 0 -0.28 6789 6787 OS2 SLES 1 31.8671 -51.2473 4.17156 O2L 6785 0 0 0 -0.65 6790 6788 OS3 SLES 1 32.3832 -50.571 1.88565 O2L 6785 0 0 0 -0.65 6791 6789 OS4 SLES 1 30.0125 -51.08 2.50152 O2L 6785 0 0 0 -0.65 6792 6790 C2 SLES 1 30.3986 -48.4836 3.3157 CC32A 6786 6791 6792 6793 -0.11 6793 6791 H2A SLES 1 29.5564 -48.8254 3.97356 HCA2 6790 0 0 0 0.09 6794 6792 H2B SLES 1 30.0184 -48.3062 2.27477 HCA2 6790 0 0 0 0.09 6795 6793 C1 SLES 1 31.0928 -47.23 3.8902 CC32A 6790 6794 6795 6796 -0.01 6796 6794 H1B SLES 1 31.4963 -47.4302 4.91657 HCA2 6793 0 0 0 0.09 6797 6795 H1A SLES 1 31.9352 -46.9047 3.23162 HCA2 6793 0 0 0 0.09 6798 6796 O1 SLES 1 30.3476 -46.0666 4.04896 OC30A 6793 6797 0 0 -0.34 6799 6797 C2 SLES 1 28.9778 -46.1008 3.6921 CC32A 6796 6798 6799 6800 -0.01 6800 6798 H2A SLES 1 28.4322 -46.8784 4.29968 HCA2 6797 0 0 0 0.09 6801 6799 H2B SLES 1 28.847 -46.3426 2.61136 HCA2 6797 0 0 0 0.09 6802 6800 C1 SLES 1 28.8753 -44.6463 4.27936 CC32A 6797 6801 6802 6803 -0.01 6803 6801 H1B SLES 1 28.1412 -44.9901 5.0199 HCA2 6800 0 0 0 0.09 6804 6802 H1A SLES 1 28.6549 -44.4195 3.17376 HCA2 6800 0 0 0 0.09 6805 6803 O1 SLES 1 28.5464 -43.2851 4.38345 OC30A 6800 6804 0 0 -0.34 6806 6804 C1 SLES 1 27.1788 -42.9159 4.27634 CTL2 6803 6805 6806 6807 -0.18 6807 6805 H11 SLES 1 26.454 -43.521 4.88929 HAL2 6804 0 0 0 0.09 6808 6806 H12 SLES 1 26.8401 -42.9791 3.21155 HAL2 6804 0 0 0 0.09 6809 6807 C2 SLES 1 27.2757 -41.4738 4.77221 CTL2 6804 6808 6809 6810 -0.18 6810 6808 H21 SLES 1 27.5551 -41.3915 5.85009 HAL2 6807 0 0 0 0.09 6811 6809 H22 SLES 1 27.9764 -40.8483 4.16699 HAL2 6807 0 0 0 0.09 6812 6810 C3 SLES 1 25.9023 -40.9682 4.58691 CTL2 6807 6811 6812 6813 -0.18 6813 6811 H31 SLES 1 25.2599 -41.6414 5.21738 HAL2 6810 0 0 0 0.09 6814 6812 H32 SLES 1 25.695 -41.0891 3.48773 HAL2 6810 0 0 0 0.09 6815 6813 C4 SLES 1 25.5387 -39.5627 4.94077 CTL2 6810 6814 6815 6816 -0.18 6816 6814 H41 SLES 1 25.7126 -39.358 6.02595 HAL2 6813 0 0 0 0.09 6817 6815 H42 SLES 1 26.135 -38.8273 4.3513 HAL2 6813 0 0 0 0.09 6818 6816 C5 SLES 1 24.056 -39.6195 4.54883 CTL2 6813 6817 6818 6819 -0.18 6819 6817 H51 SLES 1 23.528 -40.4269 5.12267 HAL2 6816 0 0 0 0.09 6820 6818 H52 SLES 1 23.9457 -39.9013 3.46863 HAL2 6816 0 0 0 0.09 6821 6819 C6 SLES 1 23.2676 -38.3965 4.73833 CTL2 6816 6820 6821 6822 -0.18 6822 6820 H61 SLES 1 22.4015 -38.68 5.39598 HAL2 6819 0 0 0 0.09 6823 6821 H62 SLES 1 22.8204 -38.1527 3.73737 HAL2 6819 0 0 0 0.09 6824 6822 C7 SLES 1 24.0034 -37.1788 5.31048 CTL2 6819 6823 6824 6825 -0.18 6825 6823 H71 SLES 1 24.4027 -37.3332 6.34069 HAL2 6822 0 0 0 0.09 6826 6824 H72 SLES 1 24.8265 -36.7994 4.66139 HAL2 6822 0 0 0 0.09 6827 6825 C8 SLES 1 22.8745 -36.2131 5.33369 CTL2 6822 6826 6827 6828 -0.18 6828 6826 H81 SLES 1 22.0788 -36.6712 5.98567 HAL2 6825 0 0 0 0.09 6829 6827 H82 SLES 1 22.5117 -36.1269 4.27005 HAL2 6825 0 0 0 0.09 6830 6828 C9 SLES 1 23.0804 -34.8234 5.82681 CTL2 6825 6829 6830 6831 -0.18 6831 6829 H91 SLES 1 23.4186 -34.8378 6.88706 HAL2 6828 0 0 0 0.09 6832 6830 H92 SLES 1 23.8428 -34.3036 5.20405 HAL2 6828 0 0 0 0.09 6833 6831 C10 SLES 1 21.6718 -34.2602 5.65039 CTL2 6828 6832 6833 6834 -0.18 6834 6832 H10 SLES 1 20.939 -34.8713 6.24353 HAL2 6831 0 0 0 0.09 6835 6833 H10 SLES 1 21.3605 -34.3409 4.57336 HAL2 6831 0 0 0 0.09 6836 6834 C11 SLES 1 21.5044 -32.8334 6.06106 CTL2 6831 6835 6836 6837 -0.18 6837 6835 H11 SLES 1 21.7932 -32.7612 7.1355 HAL2 6834 0 0 0 0.09 6838 6836 H11 SLES 1 22.2176 -32.2276 5.45544 HAL2 6834 0 0 0 0.09 6839 6837 C12 SLES 1 20.0517 -32.4073 5.83038 CTL3 6834 6838 6839 6840 -0.27 6840 6838 H12 SLES 1 19.585 -32.1145 6.79087 HAL3 6837 0 0 0 0.09 6841 6839 H12 SLES 1 20.0115 -31.577 5.09873 HAL3 6837 0 0 0 0.09 6842 6840 H12 SLES 1 19.4269 -33.2334 5.41001 HAL3 6837 0 0 0 0.09 6843 6841 NA SLES 1 45.7242 -40.118 3.21106 NA 0 0 0 0 1 6844 6842 S SLES 1 43.0109 -41.4576 3.07674 SL 6843 6844 6845 6846 1.33 6845 6843 OS1 SLES 1 42.7178 -40.0317 3.30058 OSL 6842 6847 0 0 -0.28 6846 6844 OS2 SLES 1 43.8207 -41.5082 4.27354 O2L 6842 0 0 0 -0.65 6847 6845 OS3 SLES 1 43.7309 -41.1496 1.86263 O2L 6842 0 0 0 -0.65 6848 6846 OS4 SLES 1 41.7477 -42.1384 3.02367 O2L 6842 0 0 0 -0.65 6849 6847 C2 SLES 1 41.4901 -39.4278 3.39738 CC32A 6843 6848 6849 6850 -0.11 6850 6848 H2A SLES 1 40.9053 -39.8516 4.25608 HCA2 6847 0 0 0 0.09 6851 6849 H2B SLES 1 40.9076 -39.5489 2.44573 HCA2 6847 0 0 0 0.09 6852 6850 C1 SLES 1 41.8742 -37.9535 3.64678 CC32A 6847 6851 6852 6853 -0.01 6853 6851 H1B SLES 1 42.4829 -37.8507 4.58235 HCA2 6850 0 0 0 0.09 6854 6852 H1A SLES 1 42.4639 -37.5454 2.78948 HCA2 6850 0 0 0 0.09 6855 6853 O1 SLES 1 40.8595 -37.0162 3.80771 OC30A 6850 6854 0 0 -0.34 6856 6854 C2 SLES 1 39.5197 -37.4712 3.75442 CC32A 6853 6855 6856 6857 -0.01 6857 6855 H2A SLES 1 39.333 -38.2398 4.55806 HCA2 6854 0 0 0 0.09 6858 6856 H2B SLES 1 39.2878 -37.9318 2.76566 HCA2 6854 0 0 0 0.09 6859 6857 C1 SLES 1 39.0969 -36.012 4.15792 CC32A 6854 6858 6859 6860 -0.01 6860 6858 H1B SLES 1 38.6281 -36.3944 5.07428 HCA2 6857 0 0 0 0.09 6861 6859 H1A SLES 1 38.6398 -36.0564 3.10366 HCA2 6857 0 0 0 0.09 6862 6860 O1 SLES 1 38.4076 -34.7886 4.15284 OC30A 6857 6861 0 0 -0.34 6863 6861 C1 SLES 1 36.9939 -34.815 4.28919 CTL2 6860 6862 6863 6864 -0.18 6864 6862 H11 SLES 1 36.5889 -35.4659 5.11355 HAL2 6861 0 0 0 0.09 6865 6863 H12 SLES 1 36.5166 -35.1576 3.33666 HAL2 6861 0 0 0 0.09 6866 6864 C2 SLES 1 36.7473 -33.3322 4.56379 CTL2 6861 6865 6866 6867 -0.18 6867 6865 H21 SLES 1 37.1653 -32.9846 5.53903 HAL2 6864 0 0 0 0.09 6868 6866 H22 SLES 1 37.1248 -32.6669 3.74939 HAL2 6864 0 0 0 0.09 6869 6867 C3 SLES 1 35.2753 -33.2453 4.60807 CTL2 6864 6868 6869 6870 -0.18 6870 6868 H31 SLES 1 34.9708 -33.936 5.44083 HAL2 6867 0 0 0 0.09 6871 6869 H32 SLES 1 34.9329 -33.6146 3.60201 HAL2 6867 0 0 0 0.09 6872 6870 C4 SLES 1 34.5819 -31.9432 4.84662 CTL2 6867 6871 6872 6873 -0.18 6873 6871 H41 SLES 1 34.8662 -31.5057 5.83536 HAL2 6870 0 0 0 0.09 6874 6872 H42 SLES 1 34.8318 -31.1981 4.05529 HAL2 6870 0 0 0 0.09 6875 6873 C5 SLES 1 33.1366 -32.4556 4.78599 CTL2 6870 6874 6875 6876 -0.18 6876 6874 H51 SLES 1 32.9695 -33.254 5.55709 HAL2 6873 0 0 0 0.09 6877 6875 H52 SLES 1 32.9356 -32.9486 3.79862 HAL2 6873 0 0 0 0.09 6878 6876 C6 SLES 1 32.0689 -31.4675 4.97812 CTL2 6873 6877 6878 6879 -0.18 6879 6877 H61 SLES 1 31.4446 -31.8422 5.83412 HAL2 6876 0 0 0 0.09 6880 6878 H62 SLES 1 31.4106 -31.5357 4.07076 HAL2 6876 0 0 0 0.09 6881 6879 C7 SLES 1 32.5023 -30.0167 5.22111 CTL2 6876 6880 6881 6882 -0.18 6882 6880 H71 SLES 1 33.0943 -29.8708 6.15538 HAL2 6879 0 0 0 0.09 6883 6881 H72 SLES 1 33.0596 -29.5607 4.37011 HAL2 6879 0 0 0 0.09 6884 6882 C8 SLES 1 31.1613 -29.3917 5.35681 CTL2 6879 6883 6884 6885 -0.18 6885 6883 H81 SLES 1 30.6532 -29.9146 6.21499 HAL2 6882 0 0 0 0.09 6886 6884 H82 SLES 1 30.6179 -29.5988 4.39126 HAL2 6882 0 0 0 0.09 6887 6885 C9 SLES 1 31.0322 -27.9306 5.61256 CTL2 6882 6886 6887 6888 -0.18 6888 6886 H91 SLES 1 31.5308 -27.6624 6.57077 HAL2 6885 0 0 0 0.09 6889 6887 H92 SLES 1 31.4957 -27.3525 4.78178 HAL2 6885 0 0 0 0.09 6890 6888 C10 SLES 1 29.5117 -27.7965 5.66542 CTL2 6885 6889 6890 6891 -0.18 6891 6889 H10 SLES 1 29.0977 -28.4588 6.47304 HAL2 6888 0 0 0 0.09 6892 6890 H10 SLES 1 29.0633 -28.1509 4.69753 HAL2 6888 0 0 0 0.09 6893 6891 C11 SLES 1 29.0064 -26.4127 5.91503 CTL2 6888 6892 6893 6894 -0.18 6894 6892 H11 SLES 1 29.4357 -26.0729 6.88625 HAL2 6891 0 0 0 0.09 6895 6893 H11 SLES 1 29.4015 -25.7629 5.10012 HAL2 6891 0 0 0 0.09 6896 6894 C12 SLES 1 27.4754 -26.4301 5.94223 CTL3 6891 6895 6896 6897 -0.27 6897 6895 H12 SLES 1 27.1097 -26.099 6.93353 HAL3 6894 0 0 0 0.09 6898 6896 H12 SLES 1 27.0743 -25.787 5.13477 HAL3 6894 0 0 0 0.09 6899 6897 H12 SLES 1 27.0577 -27.453 5.77257 HAL3 6894 0 0 0 0.09 6900 6898 NA SLES 1 54.1998 -27.4641 2.69761 NA 0 0 0 0 1 6901 6899 S SLES 1 51.9968 -29.4624 3.27047 SL 6900 6901 6902 6903 1.33 6902 6900 OS1 SLES 1 51.3295 -28.1495 3.28542 OSL 6899 6904 0 0 -0.28 6903 6901 OS2 SLES 1 52.9185 -29.0373 4.30019 O2L 6899 0 0 0 -0.65 6904 6902 OS3 SLES 1 52.4512 -29.2493 1.9157 O2L 6899 0 0 0 -0.65 6905 6903 OS4 SLES 1 50.9889 -30.4444 3.55645 O2L 6899 0 0 0 -0.65 6906 6904 C2 SLES 1 49.9989 -27.8816 3.48323 CC32A 6900 6905 6906 6907 -0.11 6907 6905 H2A SLES 1 49.6657 -28.2458 4.49083 HCA2 6904 0 0 0 0.09 6908 6906 H2B SLES 1 49.3713 -28.3552 2.68242 HCA2 6904 0 0 0 0.09 6909 6907 C1 SLES 1 49.9637 -26.3405 3.39806 CC32A 6904 6908 6909 6910 -0.01 6910 6908 H1B SLES 1 50.6197 -25.8807 4.18201 HCA2 6907 0 0 0 0.09 6911 6909 H1A SLES 1 50.3064 -25.9896 2.39375 HCA2 6907 0 0 0 0.09 6912 6910 O1 SLES 1 48.7458 -25.6895 3.56244 OC30A 6907 6911 0 0 -0.34 6913 6911 C2 SLES 1 47.5995 -26.4793 3.82142 CC32A 6910 6912 6913 6914 -0.01 6914 6912 H2A SLES 1 47.7383 -27.0756 4.76833 HCA2 6911 0 0 0 0.09 6915 6913 H2B SLES 1 47.3993 -27.1885 2.98454 HCA2 6911 0 0 0 0.09 6916 6914 C1 SLES 1 46.82 -25.1298 4.02688 CC32A 6911 6915 6916 6917 -0.01 6917 6915 H1B SLES 1 46.5916 -25.4121 5.0631 HCA2 6914 0 0 0 0.09 6918 6916 H1A SLES 1 46.2773 -25.5209 3.09153 HCA2 6914 0 0 0 0.09 6919 6917 O1 SLES 1 45.8089 -24.1608 3.92382 OC30A 6914 6918 0 0 -0.34 6920 6918 C1 SLES 1 44.4896 -24.5256 4.30346 CTL2 6917 6919 6920 6921 -0.18 6921 6919 H11 SLES 1 44.3892 -25.0638 5.2871 HAL2 6918 0 0 0 0.09 6922 6920 H12 SLES 1 44.0262 -25.1802 3.52294 HAL2 6918 0 0 0 0.09 6923 6921 C2 SLES 1 43.8557 -23.1359 4.34954 CTL2 6918 6922 6923 6924 -0.18 6924 6922 H21 SLES 1 44.264 -22.4871 5.16136 HAL2 6921 0 0 0 0.09 6925 6923 H22 SLES 1 43.927 -22.5893 3.37773 HAL2 6921 0 0 0 0.09 6926 6924 C3 SLES 1 42.4374 -23.4294 4.62987 CTL2 6921 6925 6926 6927 -0.18 6927 6925 H31 SLES 1 42.445 -23.977 5.61145 HAL2 6924 0 0 0 0.09 6928 6926 H32 SLES 1 42.1037 -24.0855 3.77903 HAL2 6924 0 0 0 0.09 6929 6927 C4 SLES 1 41.4276 -22.3344 4.74975 CTL2 6924 6928 6929 6930 -0.18 6930 6928 H41 SLES 1 41.6843 -21.6332 5.58172 HAL2 6927 0 0 0 0.09 6931 6929 H42 SLES 1 41.3571 -21.741 3.80807 HAL2 6927 0 0 0 0.09 6932 6930 C5 SLES 1 40.1969 -23.2073 5.02988 CTL2 6927 6931 6932 6933 -0.18 6933 6931 H51 SLES 1 40.3593 -23.8337 5.94716 HAL2 6930 0 0 0 0.09 6934 6932 H52 SLES 1 40.0356 -23.9388 4.19477 HAL2 6930 0 0 0 0.09 6935 6933 C6 SLES 1 38.9176 -22.5155 5.2246 CTL2 6930 6934 6935 6936 -0.18 6936 6934 H61 SLES 1 38.5322 -22.8444 6.22769 HAL2 6933 0 0 0 0.09 6937 6935 H62 SLES 1 38.2076 -22.9497 4.4704 HAL2 6933 0 0 0 0.09 6938 6936 C7 SLES 1 38.9353 -20.9851 5.12894 CTL2 6933 6937 6938 6939 -0.18 6939 6937 H71 SLES 1 39.5628 -20.4894 5.90686 HAL2 6936 0 0 0 0.09 6940 6938 H72 SLES 1 39.2339 -20.5962 4.12781 HAL2 6936 0 0 0 0.09 6941 6939 C8 SLES 1 37.4954 -20.7185 5.38016 CTL2 6936 6940 6941 6942 -0.18 6942 6940 H81 SLES 1 37.2637 -21.1559 6.39165 HAL2 6939 0 0 0 0.09 6943 6941 H82 SLES 1 36.9283 -21.2658 4.57441 HAL2 6939 0 0 0 0.09 6944 6942 C9 SLES 1 36.9773 -19.3227 5.39165 CTL2 6939 6943 6944 6945 -0.18 6945 6943 H91 SLES 1 37.4833 -18.7312 6.18718 HAL2 6942 0 0 0 0.09 6946 6944 H92 SLES 1 37.1537 -18.8391 4.40463 HAL2 6942 0 0 0 0.09 6947 6945 C10 SLES 1 35.5002 -19.5827 5.68029 CTL2 6942 6946 6947 6948 -0.18 6948 6946 H10 SLES 1 35.3927 -20.1376 6.65126 HAL2 6945 0 0 0 0.09 6949 6947 H10 SLES 1 35.0658 -20.2441 4.882 HAL2 6945 0 0 0 0.09 6950 6948 C11 SLES 1 34.6466 -18.3592 5.76411 CTL2 6945 6949 6950 6951 -0.18 6951 6949 H11 SLES 1 35.0673 -17.7157 6.57146 HAL2 6948 0 0 0 0.09 6952 6950 H11 SLES 1 34.7389 -17.8226 4.79152 HAL2 6948 0 0 0 0.09 6953 6951 C12 SLES 1 33.2006 -18.77 6.05648 CTL3 6948 6952 6953 6954 -0.27 6954 6952 H12 SLES 1 32.8712 -18.3381 7.0214 HAL3 6951 0 0 0 0.09 6955 6953 H12 SLES 1 32.5396 -18.4462 5.22905 HAL3 6951 0 0 0 0.09 6956 6954 H12 SLES 1 33.0818 -19.8779 6.14479 HAL3 6951 0 0 0 0.09 6957 6955 NA SLES 1 59.2292 -13.2418 2.20315 NA 0 0 0 0 1 6958 6956 S SLES 1 57.7283 -15.5555 3.45568 SL 6957 6958 6959 6960 1.33 6959 6957 OS1 SLES 1 56.7145 -14.5031 3.27071 OSL 6956 6961 0 0 -0.28 6960 6958 OS2 SLES 1 58.5469 -14.6667 4.24981 O2L 6956 0 0 0 -0.65 6961 6959 OS3 SLES 1 58.0239 -15.5607 2.04152 O2L 6956 0 0 0 -0.65 6962 6960 OS4 SLES 1 57.0624 -16.6715 4.06639 O2L 6956 0 0 0 -0.65 6963 6961 C2 SLES 1 55.3767 -14.559 3.56786 CC32A 6957 6962 6963 6964 -0.11 6964 6962 H2A SLES 1 55.2203 -14.7459 4.66308 HCA2 6961 0 0 0 0.09 6965 6963 H2B SLES 1 54.8663 -15.3599 2.96996 HCA2 6961 0 0 0 0.09 6966 6964 C1 SLES 1 54.8963 -13.1497 3.15966 CC32A 6961 6965 6966 6967 -0.01 6967 6965 H1B SLES 1 55.4368 -12.3581 3.7407 HCA2 6964 0 0 0 0.09 6968 6966 H1A SLES 1 55.0657 -12.9718 2.0693 HCA2 6964 0 0 0 0.09 6969 6967 O1 SLES 1 53.5544 -12.8258 3.32857 OC30A 6964 6968 0 0 -0.34 6970 6968 C2 SLES 1 52.6995 -13.8056 3.8889 CC32A 6967 6969 6970 6971 -0.01 6971 6969 H2A SLES 1 53.0575 -14.0985 4.91726 HCA2 6968 0 0 0 0.09 6972 6970 H2B SLES 1 52.6633 -14.7218 3.25422 HCA2 6968 0 0 0 0.09 6973 6971 C1 SLES 1 51.5789 -12.7033 3.89446 CC32A 6968 6972 6973 6974 -0.01 6974 6972 H1B SLES 1 51.5009 -12.779 4.98707 HCA2 6971 0 0 0 0.09 6975 6973 H1A SLES 1 51.1184 -13.4369 3.13813 HCA2 6971 0 0 0 0.09 6976 6974 O1 SLES 1 50.3283 -12.0916 3.7108 OC30A 6971 6975 0 0 -0.34 6977 6975 C1 SLES 1 49.1929 -12.6916 4.31824 CTL2 6974 6976 6977 6978 -0.18 6978 6976 H11 SLES 1 49.3077 -12.9849 5.39901 HAL2 6975 0 0 0 0.09 6979 6977 H12 SLES 1 48.8927 -13.6132 3.75867 HAL2 6975 0 0 0 0.09 6980 6978 C2 SLES 1 48.191 -11.5513 4.14292 CTL2 6975 6979 6980 6981 -0.18 6981 6979 H21 SLES 1 48.442 -10.6424 4.74081 HAL2 6978 0 0 0 0.09 6982 6980 H22 SLES 1 48.0466 -11.255 3.07536 HAL2 6978 0 0 0 0.09 6983 6981 C3 SLES 1 46.9349 -12.1348 4.65095 CTL2 6978 6982 6983 6984 -0.18 6984 6982 H31 SLES 1 47.1555 -12.4087 5.71852 HAL2 6981 0 0 0 0.09 6985 6983 H32 SLES 1 46.7551 -13.0402 4.00769 HAL2 6981 0 0 0 0.09 6986 6984 C4 SLES 1 45.6622 -11.3518 4.65622 CTL2 6981 6985 6986 6987 -0.18 6987 6985 H41 SLES 1 45.7543 -10.4293 5.28097 HAL2 6984 0 0 0 0.09 6988 6986 H42 SLES 1 45.3706 -11.0422 3.62521 HAL2 6984 0 0 0 0.09 6989 6987 C5 SLES 1 44.7516 -12.4266 5.26518 CTL2 6984 6988 6989 6990 -0.18 6990 6988 H51 SLES 1 45.1391 -12.7483 6.26837 HAL2 6987 0 0 0 0.09 6991 6989 H52 SLES 1 44.7592 -13.3527 4.63219 HAL2 6987 0 0 0 0.09 6992 6990 C6 SLES 1 43.341 -12.0736 5.46228 CTL2 6987 6991 6992 6993 -0.18 6993 6991 H61 SLES 1 43.1244 -12.2426 6.55196 HAL2 6990 0 0 0 0.09 6994 6992 H62 SLES 1 42.7433 -12.8484 4.91118 HAL2 6990 0 0 0 0.09 6995 6993 C7 SLES 1 42.9137 -10.6628 5.03974 CTL2 6990 6994 6995 6996 -0.18 6996 6994 H71 SLES 1 43.4162 -9.84673 5.61074 HAL2 6993 0 0 0 0.09 6997 6995 H72 SLES 1 43.0303 -10.4604 3.94972 HAL2 6993 0 0 0 0.09 6998 6996 C8 SLES 1 41.4746 -10.736 5.40228 CTL2 6993 6997 6998 6999 -0.18 6999 6997 H81 SLES 1 41.4366 -10.9634 6.50453 HAL2 6996 0 0 0 0.09 7000 6998 H82 SLES 1 41.043 -11.591 4.80799 HAL2 6996 0 0 0 0.09 7001 6999 C9 SLES 1 40.5796 -9.56748 5.17795 CTL2 6996 7000 7001 7002 -0.18 7002 7000 H91 SLES 1 40.9396 -8.69003 5.76038 HAL2 6999 0 0 0 0.09 7003 7001 H92 SLES 1 40.553 -9.30577 4.09629 HAL2 6999 0 0 0 0.09 7004 7002 C10 SLES 1 39.2582 -10.1333 5.69405 CTL2 6999 7003 7004 7005 -0.18 7005 7003 H10 SLES 1 39.3702 -10.4471 6.76699 HAL2 7002 0 0 0 0.09 7006 7004 H10 SLES 1 38.9867 -11.0577 5.11518 HAL2 7002 0 0 0 0.09 7007 7005 C11 SLES 1 38.0959 -9.19751 5.61778 CTL2 7002 7006 7007 7008 -0.18 7008 7006 H11 SLES 1 38.3601 -8.29118 6.21093 HAL2 7005 0 0 0 0.09 7009 7007 H11 SLES 1 37.9745 -8.90511 4.54902 HAL2 7005 0 0 0 0.09 7010 7008 C12 SLES 1 36.8477 -9.89495 6.16597 CTL3 7005 7009 7010 7011 -0.27 7011 7009 H12 SLES 1 36.4642 -9.34779 7.04893 HAL3 7008 0 0 0 0.09 7012 7010 H12 SLES 1 36.0753 -9.96661 5.37564 HAL3 7008 0 0 0 0.09 7013 7011 H12 SLES 1 37.0569 -10.9399 6.5033 HAL3 7008 0 0 0 0.09 7014 7012 NA SLES 1 56.1462 1.64418 -13.6115 NA 0 0 0 0 1 7015 7013 S SLES 1 55.8572 -0.607557 -11.6065 SL 7014 7015 7016 7017 1.33 7016 7014 OS1 SLES 1 54.5392 0.0495181 -11.6295 OSL 7013 7018 0 0 -0.28 7017 7015 OS2 SLES 1 56.5035 0.637759 -11.257 O2L 7013 0 0 0 -0.65 7018 7016 OS3 SLES 1 55.7789 -0.880562 -13.023 O2L 7013 0 0 0 -0.65 7019 7017 OS4 SLES 1 55.7723 -1.67631 -10.6512 O2L 7013 0 0 0 -0.65 7020 7018 C2 SLES 1 53.4132 -0.293442 -10.9255 CC32A 7014 7019 7020 7021 -0.11 7021 7019 H2A SLES 1 53.6032 -0.239842 -9.82099 HCA2 7018 0 0 0 0.09 7022 7020 H2B SLES 1 53.0668 -1.32482 -11.2009 HCA2 7018 0 0 0 0.09 7023 7021 C1 SLES 1 52.4071 0.785828 -11.38 CC32A 7018 7022 7023 7024 -0.01 7024 7022 H1B SLES 1 52.7798 1.81251 -11.1283 HCA2 7021 0 0 0 0.09 7025 7023 H1A SLES 1 52.2331 0.728524 -12.4825 HCA2 7021 0 0 0 0.09 7026 7024 O1 SLES 1 51.1196 0.763312 -10.8546 OC30A 7021 7025 0 0 -0.34 7027 7025 C2 SLES 1 50.805 -0.242648 -9.90915 CC32A 7024 7026 7027 7028 -0.01 7028 7026 H2A SLES 1 51.4821 -0.164001 -9.01089 HCA2 7025 0 0 0 0.09 7029 7027 H2B SLES 1 50.9195 -1.26114 -10.3486 HCA2 7025 0 0 0 0.09 7030 7028 C1 SLES 1 49.4202 0.478817 -9.72821 CC32A 7025 7029 7030 7031 -0.01 7031 7029 H1B SLES 1 49.6441 0.65649 -8.66804 HCA2 7028 0 0 0 0.09 7032 7030 H1A SLES 1 49.0578 -0.515444 -10.1782 HCA2 7028 0 0 0 0.09 7033 7031 O1 SLES 1 48.0332 0.661847 -9.60692 OC30A 7028 7032 0 0 -0.34 7034 7032 C1 SLES 1 47.3488 -0.0556061 -8.58967 CTL2 7031 7033 7034 7035 -0.18 7035 7033 H11 SLES 1 47.8175 -0.0306716 -7.56646 HAL2 7032 0 0 0 0.09 7036 7034 H12 SLES 1 47.2433 -1.13244 -8.87565 HAL2 7032 0 0 0 0.09 7037 7035 C2 SLES 1 46.0148 0.688909 -8.62117 CTL2 7032 7036 7037 7038 -0.18 7038 7036 H21 SLES 1 46.0891 1.75006 -8.28194 HAL2 7035 0 0 0 0.09 7039 7037 H22 SLES 1 45.5214 0.661981 -9.62324 HAL2 7035 0 0 0 0.09 7040 7038 C3 SLES 1 45.1904 -0.0705721 -7.66207 CTL2 7035 7039 7040 7041 -0.18 7041 7039 H31 SLES 1 45.7457 -0.00200562 -6.68723 HAL2 7038 0 0 0 0.09 7042 7040 H32 SLES 1 45.1685 -1.1202 -8.06653 HAL2 7038 0 0 0 0.09 7043 7041 C4 SLES 1 43.7731 0.312422 -7.38379 CTL2 7038 7042 7043 7044 -0.18 7044 7042 H41 SLES 1 43.7049 1.34952 -6.97204 HAL2 7041 0 0 0 0.09 7045 7043 H42 SLES 1 43.1502 0.266707 -8.30783 HAL2 7041 0 0 0 0.09 7046 7044 C5 SLES 1 43.4513 -0.785032 -6.36048 CTL2 7041 7045 7046 7047 -0.18 7047 7045 H51 SLES 1 44.1585 -0.731426 -5.49044 HAL2 7044 0 0 0 0.09 7048 7046 H52 SLES 1 43.6094 -1.8004 -6.81042 HAL2 7044 0 0 0 0.09 7049 7047 C6 SLES 1 42.0985 -0.792326 -5.79185 CTL2 7044 7048 7049 7050 -0.18 7050 7048 H61 SLES 1 42.2264 -0.739757 -4.67662 HAL2 7047 0 0 0 0.09 7051 7049 H62 SLES 1 41.6756 -1.81162 -6.0003 HAL2 7047 0 0 0 0.09 7052 7050 C7 SLES 1 41.1368 0.29928 -6.27654 CTL2 7047 7051 7052 7053 -0.18 7053 7051 H71 SLES 1 41.4643 1.33595 -6.02629 HAL2 7050 0 0 0 0.09 7054 7052 H72 SLES 1 40.9066 0.250531 -7.3662 HAL2 7050 0 0 0 0.09 7055 7053 C8 SLES 1 39.9405 -0.0712677 -5.47703 CTL2 7050 7054 7055 7056 -0.18 7056 7054 H81 SLES 1 40.2535 -0.0213796 -4.39644 HAL2 7053 0 0 0 0.09 7057 7055 H82 SLES 1 39.6847 -1.13052 -5.7651 HAL2 7053 0 0 0 0.09 7058 7056 C9 SLES 1 38.6824 0.716524 -5.5922 CTL2 7053 7057 7058 7059 -0.18 7059 7057 H91 SLES 1 38.8625 1.77424 -5.29646 HAL2 7056 0 0 0 0.09 7060 7058 H92 SLES 1 38.3042 0.685989 -6.63874 HAL2 7056 0 0 0 0.09 7061 7059 C10 SLES 1 37.7947 -0.0423176 -4.60797 CTL2 7056 7060 7061 7062 -0.18 7062 7060 H10 SLES 1 38.2657 -0.0391775 -3.588 HAL2 7059 0 0 0 0.09 7063 7061 H10 SLES 1 37.7114 -1.11881 -4.92051 HAL2 7059 0 0 0 0.09 7064 7062 C11 SLES 1 36.407 0.492708 -4.46452 CTL2 7059 7063 7064 7065 -0.18 7065 7063 H11 SLES 1 36.493 1.55386 -4.13344 HAL2 7062 0 0 0 0.09 7066 7064 H11 SLES 1 35.9355 0.468091 -5.47427 HAL2 7062 0 0 0 0.09 7067 7065 C12 SLES 1 35.6375 -0.360704 -3.45232 CTL3 7062 7066 7067 7068 -0.27 7068 7066 H12 SLES 1 35.3247 0.261463 -2.59142 HAL3 7065 0 0 0 0.09 7069 7067 H12 SLES 1 34.7629 -0.832578 -3.94109 HAL3 7065 0 0 0 0.09 7070 7068 H12 SLES 1 36.2581 -1.19245 -3.03704 HAL3 7065 0 0 0 0.09 7071 7069 NA SLES 1 53.7643 15.7148 -13.9653 NA 0 0 0 0 1 7072 7070 S SLES 1 54.1249 14.0265 -11.4766 SL 7071 7072 7073 7074 1.33 7073 7071 OS1 SLES 1 52.6666 14.1519 -11.6402 OSL 7070 7075 0 0 -0.28 7074 7072 OS2 SLES 1 54.2733 15.4643 -11.4429 O2L 7070 0 0 0 -0.65 7075 7073 OS3 SLES 1 54.2502 13.4283 -12.7857 O2L 7070 0 0 0 -0.65 7076 7074 OS4 SLES 1 54.3447 13.2444 -10.2926 O2L 7070 0 0 0 -0.65 7077 7075 C2 SLES 1 51.68 13.6034 -10.8611 CC32A 7071 7076 7077 7078 -0.11 7078 7076 H2A SLES 1 51.758 13.9708 -9.80384 HCA2 7075 0 0 0 0.09 7079 7077 H2B SLES 1 51.7327 12.4825 -10.8777 HCA2 7075 0 0 0 0.09 7080 7078 C1 SLES 1 50.3992 14.1238 -11.5483 CC32A 7075 7079 7080 7081 -0.01 7081 7079 H1B SLES 1 50.3744 15.2444 -11.5539 HCA2 7078 0 0 0 0.09 7082 7080 H1A SLES 1 50.3373 13.7592 -12.603 HCA2 7078 0 0 0 0.09 7083 7081 O1 SLES 1 49.1639 13.7684 -11.0173 OC30A 7078 7082 0 0 -0.34 7084 7082 C2 SLES 1 49.1478 12.9599 -9.85506 CC32A 7081 7083 7084 7085 -0.01 7085 7083 H2A SLES 1 49.6879 13.475 -9.00988 HCA2 7082 0 0 0 0.09 7086 7084 H2B SLES 1 49.6393 11.9761 -10.0396 HCA2 7082 0 0 0 0.09 7087 7085 C1 SLES 1 47.5897 13.1666 -9.83521 CC32A 7082 7086 7087 7088 -0.01 7088 7086 H1B SLES 1 47.6597 13.6485 -8.85105 HCA2 7085 0 0 0 0.09 7089 7087 H1A SLES 1 47.6274 12.0339 -10.03 HCA2 7085 0 0 0 0.09 7090 7088 O1 SLES 1 46.22 12.8705 -9.7445 OC30A 7085 7089 0 0 -0.34 7091 7089 C1 SLES 1 45.753 12.2095 -8.57704 CTL2 7088 7090 7091 7092 -0.18 7092 7090 H11 SLES 1 46.1076 12.6308 -7.5952 HAL2 7089 0 0 0 0.09 7093 7091 H12 SLES 1 46.0475 11.13 -8.59594 HAL2 7089 0 0 0 0.09 7094 7092 C2 SLES 1 44.25 12.4067 -8.76958 CTL2 7089 7093 7094 7095 -0.18 7095 7093 H21 SLES 1 43.9278 13.4731 -8.69485 HAL2 7092 0 0 0 0.09 7096 7094 H22 SLES 1 43.8714 11.9797 -9.73012 HAL2 7092 0 0 0 0.09 7097 7095 C3 SLES 1 43.6708 11.645 -7.64683 CTL2 7092 7096 7097 7098 -0.18 7098 7096 H31 SLES 1 44.095 12.1254 -6.72344 HAL2 7095 0 0 0 0.09 7099 7097 H32 SLES 1 44.0429 10.5927 -7.78829 HAL2 7095 0 0 0 0.09 7100 7098 C4 SLES 1 42.1921 11.5553 -7.45115 CTL2 7095 7099 7100 7101 -0.18 7101 7099 H41 SLES 1 41.7396 12.5661 -7.29855 HAL2 7098 0 0 0 0.09 7102 7100 H42 SLES 1 41.6932 11.0833 -8.32989 HAL2 7098 0 0 0 0.09 7103 7101 C5 SLES 1 42.1952 10.679 -6.19131 CTL2 7098 7102 7103 7104 -0.18 7104 7102 H51 SLES 1 42.7743 11.1757 -5.36791 HAL2 7101 0 0 0 0.09 7105 7103 H52 SLES 1 42.7271 9.71098 -6.38728 HAL2 7101 0 0 0 0.09 7106 7104 C6 SLES 1 40.8905 10.3241 -5.62118 CTL2 7101 7105 7106 7107 -0.18 7107 7105 H61 SLES 1 40.9099 10.6711 -4.55249 HAL2 7104 0 0 0 0.09 7108 7106 H62 SLES 1 40.8624 9.20237 -5.57474 HAL2 7104 0 0 0 0.09 7109 7107 C7 SLES 1 39.649 10.8645 -6.3412 CTL2 7104 7108 7109 7110 -0.18 7110 7108 H71 SLES 1 39.5787 11.9779 -6.35007 HAL2 7107 0 0 0 0.09 7111 7109 H72 SLES 1 39.5307 10.4907 -7.38475 HAL2 7107 0 0 0 0.09 7112 7110 C8 SLES 1 38.5993 10.2879 -5.46193 CTL2 7107 7111 7112 7113 -0.18 7113 7111 H81 SLES 1 38.7954 10.69 -4.42848 HAL2 7110 0 0 0 0.09 7114 7112 H82 SLES 1 38.7473 9.17081 -5.48526 HAL2 7110 0 0 0 0.09 7115 7113 C9 SLES 1 37.1585 10.5321 -5.74698 CTL2 7110 7114 7115 7116 -0.18 7116 7114 H91 SLES 1 36.9396 11.6229 -5.71493 HAL2 7113 0 0 0 0.09 7117 7115 H92 SLES 1 36.8922 10.1324 -6.75122 HAL2 7113 0 0 0 0.09 7118 7116 C10 SLES 1 36.518 9.75431 -4.59922 CTL2 7113 7117 7118 7119 -0.18 7119 7117 H10 SLES 1 36.8826 10.1559 -3.61534 HAL2 7116 0 0 0 0.09 7120 7118 H10 SLES 1 36.8352 8.67691 -4.64426 HAL2 7116 0 0 0 0.09 7121 7119 C11 SLES 1 35.0244 9.78234 -4.57116 CTL2 7116 7120 7121 7122 -0.18 7122 7120 H11 SLES 1 34.7137 10.851 -4.50448 HAL2 7119 0 0 0 0.09 7123 7121 H11 SLES 1 34.6661 9.36341 -5.53997 HAL2 7119 0 0 0 0.09 7124 7122 C12 SLES 1 34.5252 8.96683 -3.37506 CTL3 7119 7123 7124 7125 -0.27 7125 7123 H12 SLES 1 33.9542 9.61705 -2.6842 HAL3 7122 0 0 0 0.09 7126 7124 H12 SLES 1 33.9061 8.1184 -3.72625 HAL3 7122 0 0 0 0.09 7127 7125 H12 SLES 1 35.3627 8.52594 -2.78045 HAL3 7122 0 0 0 0.09 7128 7126 NA SLES 1 48.0082 28.6389 -14.2161 NA 0 0 0 0 1 7129 7127 S SLES 1 48.5932 27.7307 -11.3864 SL 7128 7129 7130 7131 1.33 7130 7128 OS1 SLES 1 47.2132 27.2875 -11.6479 OSL 7127 7132 0 0 -0.28 7131 7129 OS2 SLES 1 48.2395 29.1009 -11.6828 O2L 7127 0 0 0 -0.65 7132 7130 OS3 SLES 1 49.083 26.9675 -12.5112 O2L 7127 0 0 0 -0.65 7133 7131 OS4 SLES 1 48.9094 27.3352 -10.0427 O2L 7127 0 0 0 -0.65 7134 7132 C2 SLES 1 46.3787 26.5895 -10.8127 CC32A 7128 7133 7134 7135 -0.11 7135 7133 H2A SLES 1 46.1894 27.1649 -9.86826 HCA2 7132 0 0 0 0.09 7136 7134 H2B SLES 1 46.8102 25.5838 -10.5638 HCA2 7132 0 0 0 0.09 7137 7135 C1 SLES 1 45.0982 26.4647 -11.6661 CC32A 7132 7136 7137 7138 -0.01 7138 7136 H1B SLES 1 44.6959 27.4757 -11.9351 HCA2 7135 0 0 0 0.09 7139 7137 H1A SLES 1 45.3013 25.8981 -12.6079 HCA2 7135 0 0 0 0.09 7140 7138 O1 SLES 1 43.9989 25.8033 -11.1294 OC30A 7135 7139 0 0 -0.34 7141 7139 C2 SLES 1 44.107 25.2945 -9.8125 CC32A 7138 7140 7141 7142 -0.01 7142 7140 H2A SLES 1 44.3256 26.1281 -9.08536 HCA2 7139 0 0 0 0.09 7143 7141 H2B SLES 1 44.9226 24.5378 -9.73665 HCA2 7139 0 0 0 0.09 7144 7142 C1 SLES 1 42.5826 24.9264 -9.91992 CC32A 7139 7143 7144 7145 -0.01 7145 7143 H1B SLES 1 42.3565 25.5885 -9.07367 HCA2 7142 0 0 0 0.09 7146 7144 H1A SLES 1 43.0272 23.8688 -9.84198 HCA2 7142 0 0 0 0.09 7147 7145 O1 SLES 1 41.3951 24.1821 -9.83135 OC30A 7142 7146 0 0 -0.34 7148 7146 C1 SLES 1 41.0324 23.6466 -8.5666 CTL2 7145 7147 7148 7149 -0.18 7149 7147 H11 SLES 1 41.0922 24.3555 -7.69412 HAL2 7146 0 0 0 0.09 7150 7148 H12 SLES 1 41.6754 22.7652 -8.31744 HAL2 7146 0 0 0 0.09 7151 7149 C2 SLES 1 39.5902 23.2469 -8.87523 CTL2 7146 7150 7151 7152 -0.18 7152 7150 H21 SLES 1 38.9185 24.1177 -9.0685 HAL2 7149 0 0 0 0.09 7153 7151 H22 SLES 1 39.5071 22.5285 -9.7269 HAL2 7149 0 0 0 0.09 7154 7152 C3 SLES 1 39.163 22.5703 -7.63592 CTL2 7149 7153 7154 7155 -0.18 7155 7153 H31 SLES 1 39.2751 23.3463 -6.83054 HAL2 7152 0 0 0 0.09 7156 7154 H32 SLES 1 39.8849 21.7169 -7.50823 HAL2 7152 0 0 0 0.09 7157 7155 C4 SLES 1 37.7902 21.996 -7.49924 CTL2 7152 7156 7157 7158 -0.18 7158 7156 H41 SLES 1 37.0059 22.7848 -7.61043 HAL2 7155 0 0 0 0.09 7159 7157 H42 SLES 1 37.5997 21.2098 -8.267 HAL2 7155 0 0 0 0.09 7160 7158 C5 SLES 1 37.9265 21.452 -6.07076 CTL2 7155 7159 7160 7161 -0.18 7161 7159 H51 SLES 1 38.1906 22.2784 -5.35847 HAL2 7158 0 0 0 0.09 7162 7160 H52 SLES 1 38.7759 20.7219 -6.0077 HAL2 7158 0 0 0 0.09 7163 7161 C6 SLES 1 36.7571 20.7739 -5.49971 CTL2 7158 7162 7163 7164 -0.18 7164 7162 H61 SLES 1 36.5186 21.312 -4.54235 HAL2 7161 0 0 0 0.09 7165 7163 H62 SLES 1 37.1054 19.7511 -5.19343 HAL2 7161 0 0 0 0.09 7166 7164 C7 SLES 1 35.5108 20.675 -6.38767 CTL2 7161 7165 7166 7167 -0.18 7167 7165 H71 SLES 1 35.0688 21.6623 -6.66043 HAL2 7164 0 0 0 0.09 7168 7166 H72 SLES 1 35.663 20.082 -7.31931 HAL2 7164 0 0 0 0.09 7169 7167 C8 SLES 1 34.614 19.9488 -5.45175 CTL2 7164 7168 7169 7170 -0.18 7170 7168 H81 SLES 1 34.526 20.5934 -4.53261 HAL2 7167 0 0 0 0.09 7171 7169 H82 SLES 1 35.1338 18.9795 -5.20546 HAL2 7167 0 0 0 0.09 7172 7170 C9 SLES 1 33.2258 19.5957 -5.85808 CTL2 7167 7171 7172 7173 -0.18 7173 7171 H91 SLES 1 32.6478 20.5173 -6.09329 HAL2 7170 0 0 0 0.09 7174 7172 H92 SLES 1 33.2438 18.9338 -6.75292 HAL2 7170 0 0 0 0.09 7175 7173 C10 SLES 1 32.7437 18.8874 -4.59381 CTL2 7170 7174 7175 7176 -0.18 7176 7174 H10 SLES 1 32.8192 19.5823 -3.71424 HAL2 7173 0 0 0 0.09 7177 7175 H10 SLES 1 33.4105 18.0108 -4.36939 HAL2 7173 0 0 0 0.09 7178 7176 C11 SLES 1 31.3389 18.3813 -4.64818 CTL2 7173 7177 7178 7179 -0.18 7179 7177 H11 SLES 1 30.6783 19.2566 -4.84922 HAL2 7176 0 0 0 0.09 7180 7178 H11 SLES 1 31.2731 17.6759 -5.50875 HAL2 7176 0 0 0 0.09 7181 7179 C12 SLES 1 30.9949 17.6991 -3.32106 CTL3 7176 7180 7181 7182 -0.27 7182 7180 H12 SLES 1 30.1525 18.2251 -2.83119 HAL3 7179 0 0 0 0.09 7183 7181 H12 SLES 1 30.7514 16.6328 -3.49453 HAL3 7179 0 0 0 0.09 7184 7182 H12 SLES 1 31.8474 17.7182 -2.59844 HAL3 7179 0 0 0 0.09 7185 7183 NA SLES 1 39.2898 39.6821 -14.3469 NA 0 0 0 0 1 7186 7184 S SLES 1 39.6332 39.5156 -11.3421 SL 7185 7186 7187 7188 1.33 7187 7185 OS1 SLES 1 38.5515 38.5653 -11.6522 OSL 7184 7189 0 0 -0.28 7188 7186 OS2 SLES 1 38.899 40.5969 -11.9605 O2L 7184 0 0 0 -0.65 7189 7187 OS3 SLES 1 40.542 38.8128 -12.2181 O2L 7184 0 0 0 -0.65 7190 7188 OS4 SLES 1 39.8197 39.4834 -9.91874 O2L 7184 0 0 0 -0.65 7191 7189 C2 SLES 1 37.8652 37.7556 -10.7835 CC32A 7185 7190 7191 7192 -0.11 7192 7190 H2A SLES 1 37.3293 38.3664 -10.0099 HCA2 7189 0 0 0 0.09 7193 7191 H2B SLES 1 38.5575 37.0295 -10.2804 HCA2 7189 0 0 0 0.09 7194 7192 C1 SLES 1 36.8739 37.0386 -11.7253 CC32A 7189 7193 7194 7195 -0.01 7195 7193 H1B SLES 1 36.2103 37.7769 -12.2458 HCA2 7192 0 0 0 0.09 7196 7194 H1A SLES 1 37.4191 36.4413 -12.4967 HCA2 7192 0 0 0 0.09 7197 7195 O1 SLES 1 35.9833 36.1182 -11.1832 OC30A 7192 7196 0 0 -0.34 7198 7196 C2 SLES 1 36.0201 35.9021 -9.78438 CC32A 7195 7197 7198 7199 -0.01 7199 7197 H2A SLES 1 35.8137 36.8633 -9.23217 HCA2 7196 0 0 0 0.09 7200 7198 H2B SLES 1 37.015 35.5164 -9.46047 HCA2 7196 0 0 0 0.09 7201 7199 C1 SLES 1 34.7522 34.993 -9.97659 CC32A 7196 7200 7201 7202 -0.01 7202 7200 H1B SLES 1 34.1707 35.6543 -9.32072 HCA2 7199 0 0 0 0.09 7203 7201 H1A SLES 1 35.5045 34.1966 -9.627 HCA2 7199 0 0 0 0.09 7204 7202 O1 SLES 1 33.8875 33.8926 -9.86156 OC30A 7199 7203 0 0 -0.34 7205 7203 C1 SLES 1 33.5069 33.4724 -8.55906 CTL2 7202 7204 7205 7206 -0.18 7206 7204 H11 SLES 1 33.1696 34.2847 -7.85648 HAL2 7203 0 0 0 0.09 7207 7205 H12 SLES 1 34.3532 32.9372 -8.05914 HAL2 7203 0 0 0 0.09 7208 7206 C2 SLES 1 32.3614 32.5318 -8.93091 CTL2 7203 7207 7208 7209 -0.18 7209 7207 H21 SLES 1 31.4823 33.0557 -9.37742 HAL2 7206 0 0 0 0.09 7210 7208 H22 SLES 1 32.6768 31.7057 -9.61378 HAL2 7206 0 0 0 0.09 7211 7209 C3 SLES 1 31.9731 31.9546 -7.63007 CTL2 7206 7210 7211 7212 -0.18 7212 7210 H31 SLES 1 31.6735 32.8368 -7.00124 HAL2 7209 0 0 0 0.09 7213 7211 H32 SLES 1 32.9045 31.4544 -7.24545 HAL2 7209 0 0 0 0.09 7214 7212 C4 SLES 1 30.8713 30.9506 -7.52479 CTL2 7209 7213 7214 7215 -0.18 7215 7213 H41 SLES 1 29.9009 31.3715 -7.88644 HAL2 7212 0 0 0 0.09 7216 7214 H42 SLES 1 31.0951 30.0366 -8.12346 HAL2 7212 0 0 0 0.09 7217 7215 C5 SLES 1 30.9262 30.7303 -6.00704 CTL2 7212 7216 7217 7218 -0.18 7218 7216 H51 SLES 1 30.7668 31.699 -5.46277 HAL2 7215 0 0 0 0.09 7219 7217 H52 SLES 1 31.9457 30.3792 -5.69755 HAL2 7215 0 0 0 0.09 7220 7218 C6 SLES 1 29.9703 29.7747 -5.43572 CTL2 7215 7219 7220 7221 -0.18 7221 7219 H61 SLES 1 29.3992 30.3355 -4.64688 HAL2 7218 0 0 0 0.09 7222 7220 H62 SLES 1 30.5812 29.0119 -4.88237 HAL2 7218 0 0 0 0.09 7223 7221 C7 SLES 1 29.0081 29.0883 -6.41277 CTL2 7218 7222 7223 7224 -0.18 7224 7222 H71 SLES 1 28.3165 29.7899 -6.93624 HAL2 7221 0 0 0 0.09 7225 7223 H72 SLES 1 29.5132 28.4499 -7.17434 HAL2 7221 0 0 0 0.09 7226 7224 C8 SLES 1 28.2557 28.2462 -5.44719 CTL2 7221 7225 7226 7227 -0.18 7227 7225 H81 SLES 1 27.7949 28.9534 -4.70176 HAL2 7224 0 0 0 0.09 7228 7226 H82 SLES 1 29.018 27.5852 -4.94476 HAL2 7224 0 0 0 0.09 7229 7227 C9 SLES 1 27.1619 27.3524 -5.91794 CTL2 7224 7228 7229 7230 -0.18 7230 7228 H91 SLES 1 26.3599 27.9502 -6.40578 HAL2 7227 0 0 0 0.09 7231 7229 H92 SLES 1 27.5595 26.6078 -6.64373 HAL2 7227 0 0 0 0.09 7232 7230 C10 SLES 1 26.7289 26.7301 -4.5921 CTL2 7227 7231 7232 7233 -0.18 7233 7231 H10 SLES 1 26.4096 27.5365 -3.87795 HAL2 7230 0 0 0 0.09 7234 7232 H10 SLES 1 27.6 26.2041 -4.11463 HAL2 7230 0 0 0 0.09 7235 7233 C11 SLES 1 25.6086 25.7463 -4.69033 CTL2 7230 7234 7235 7236 -0.18 7236 7234 H11 SLES 1 24.7396 26.2772 -5.14416 HAL2 7233 0 0 0 0.09 7237 7235 H11 SLES 1 25.9372 24.9369 -5.38274 HAL2 7233 0 0 0 0.09 7238 7236 C12 SLES 1 25.2834 25.2084 -3.29399 CTL3 7233 7237 7238 7239 -0.27 7239 7237 H12 SLES 1 24.2407 25.4635 -3.02237 HAL3 7236 0 0 0 0.09 7240 7238 H12 SLES 1 25.4467 24.1135 -3.26173 HAL3 7236 0 0 0 0.09 7241 7239 H12 SLES 1 25.9375 25.6519 -2.50342 HAL3 7236 0 0 0 0.09 7242 7240 NA SLES 1 28.1474 48.2285 -14.3488 NA 0 0 0 0 1 7243 7241 S SLES 1 27.878 48.5272 -11.3467 SL 7242 7243 7244 7245 1.33 7244 7242 OS1 SLES 1 27.2701 47.221 -11.6526 OSL 7241 7246 0 0 -0.28 7245 7243 OS2 SLES 1 26.9733 49.1932 -12.257 O2L 7241 0 0 0 -0.65 7246 7244 OS3 SLES 1 29.1344 48.1117 -11.9264 O2L 7241 0 0 0 -0.65 7247 7245 OS4 SLES 1 27.7566 48.7205 -9.92902 O2L 7241 0 0 0 -0.65 7248 7246 C2 SLES 1 26.7268 46.3172 -10.7756 CC32A 7242 7247 7248 7249 -0.11 7249 7247 H2A SLES 1 25.8653 46.7719 -10.219 HCA2 7246 0 0 0 0.09 7250 7248 H2B SLES 1 27.4984 45.9519 -10.047 HCA2 7246 0 0 0 0.09 7251 7249 C1 SLES 1 26.2583 45.1908 -11.7218 CC32A 7246 7250 7251 7252 -0.01 7252 7250 H1B SLES 1 25.5127 45.5758 -12.4649 HCA2 7249 0 0 0 0.09 7253 7251 H1A SLES 1 27.1233 44.7521 -12.2772 HCA2 7249 0 0 0 0.09 7254 7252 O1 SLES 1 25.6342 44.0746 -11.1751 OC30A 7249 7253 0 0 -0.34 7255 7253 C2 SLES 1 25.4423 44.0407 -9.77261 CC32A 7252 7254 7255 7256 -0.01 7256 7254 H2A SLES 1 24.8128 44.9153 -9.44032 HCA2 7253 0 0 0 0.09 7257 7255 H2B SLES 1 26.4157 44.0808 -9.22987 HCA2 7253 0 0 0 0.09 7258 7256 C1 SLES 1 24.6248 42.7178 -10.0013 CC32A 7253 7257 7258 7259 -0.01 7259 7257 H1B SLES 1 23.7296 43.1898 -9.57535 HCA2 7256 0 0 0 0.09 7260 7258 H1A SLES 1 25.5077 42.2925 -9.39969 HCA2 7256 0 0 0 0.09 7261 7259 O1 SLES 1 24.1758 41.3979 -9.83306 OC30A 7256 7260 0 0 -0.34 7262 7260 C1 SLES 1 23.6899 41.013 -8.55493 CTL2 7259 7261 7262 7263 -0.18 7263 7261 H11 SLES 1 22.9582 41.7186 -8.07121 HAL2 7260 0 0 0 0.09 7264 7262 H12 SLES 1 24.5394 40.88 -7.83863 HAL2 7260 0 0 0 0.09 7265 7263 C2 SLES 1 23.0334 39.6859 -8.93285 CTL2 7260 7264 7265 7266 -0.18 7266 7264 H21 SLES 1 22.1461 39.8023 -9.60057 HAL2 7263 0 0 0 0.09 7267 7265 H22 SLES 1 23.7454 38.9616 -9.39849 HAL2 7263 0 0 0 0.09 7268 7266 C3 SLES 1 22.5934 39.1526 -7.62968 CTL2 7263 7267 7268 7269 -0.18 7269 7267 H31 SLES 1 21.8886 39.9285 -7.22391 HAL2 7266 0 0 0 0.09 7270 7268 H32 SLES 1 23.534 39.0703 -7.01785 HAL2 7266 0 0 0 0.09 7271 7269 C4 SLES 1 21.8967 37.8347 -7.52604 CTL2 7266 7270 7271 7272 -0.18 7272 7270 H41 SLES 1 20.942 37.832 -8.10776 HAL2 7269 0 0 0 0.09 7273 7271 H42 SLES 1 22.5361 37.0051 -7.90905 HAL2 7269 0 0 0 0.09 7274 7272 C5 SLES 1 21.6975 37.8164 -6.0045 CTL2 7269 7273 7274 7275 -0.18 7275 7273 H51 SLES 1 21.1104 38.7141 -5.67368 HAL2 7272 0 0 0 0.09 7276 7274 H52 SLES 1 22.6848 37.896 -5.47797 HAL2 7272 0 0 0 0.09 7277 7275 C6 SLES 1 21.019 36.6473 -5.43358 CTL2 7272 7276 7277 7278 -0.18 7278 7276 H61 SLES 1 20.1387 37.0446 -4.85897 HAL2 7275 0 0 0 0.09 7279 7277 H62 SLES 1 21.7175 36.2239 -4.66275 HAL2 7275 0 0 0 0.09 7280 7278 C7 SLES 1 20.5745 35.5558 -6.41479 CTL2 7275 7279 7280 7281 -0.18 7281 7279 H71 SLES 1 19.816 35.8965 -7.15869 HAL2 7278 0 0 0 0.09 7282 7280 H72 SLES 1 21.4144 35.0657 -6.95972 HAL2 7278 0 0 0 0.09 7283 7281 C8 SLES 1 19.9607 34.6086 -5.44855 CTL2 7278 7282 7283 7284 -0.18 7284 7282 H81 SLES 1 19.1418 35.1768 -4.92438 HAL2 7281 0 0 0 0.09 7285 7283 H82 SLES 1 20.7748 34.329 -4.72095 HAL2 7281 0 0 0 0.09 7286 7284 C9 SLES 1 19.3571 33.3328 -5.92247 CTL2 7281 7285 7286 7287 -0.18 7287 7285 H91 SLES 1 18.5245 33.5411 -6.63108 HAL2 7284 0 0 0 0.09 7288 7286 H92 SLES 1 20.1263 32.7092 -6.43109 HAL2 7284 0 0 0 0.09 7289 7287 C10 SLES 1 18.8859 32.7443 -4.59421 CTL2 7284 7288 7289 7290 -0.18 7290 7288 H10 SLES 1 18.1702 33.4522 -4.09532 HAL2 7287 0 0 0 0.09 7291 7289 H10 SLES 1 19.7599 32.6264 -3.89735 HAL2 7287 0 0 0 0.09 7292 7290 C11 SLES 1 18.2087 31.4162 -4.69474 CTL2 7287 7291 7292 7293 -0.18 7293 7291 H11 SLES 1 17.3299 31.542 -5.3692 HAL2 7290 0 0 0 0.09 7294 7292 H11 SLES 1 18.9292 30.7112 -5.17051 HAL2 7290 0 0 0 0.09 7295 7293 C12 SLES 1 17.7931 30.9527 -3.29569 CTL3 7290 7294 7295 7296 -0.27 7296 7294 H12 SLES 1 16.6928 30.8394 -3.2447 HAL3 7293 0 0 0 0.09 7297 7295 H12 SLES 1 18.3033 30.0026 -3.04371 HAL3 7293 0 0 0 0.09 7298 7296 H12 SLES 1 18.0761 31.687 -2.50186 HAL3 7293 0 0 0 0.09 7299 7297 NA SLES 1 15.2233 53.7861 -14.2216 NA 0 0 0 0 1 7300 7298 S SLES 1 14.1738 54.1184 -11.3998 SL 7299 7300 7301 7302 1.33 7301 7299 OS1 SLES 1 14.1346 52.6673 -11.6493 OSL 7298 7303 0 0 -0.28 7302 7300 OS2 SLES 1 13.3367 54.3678 -12.5521 O2L 7298 0 0 0 -0.65 7303 7301 OS3 SLES 1 15.5952 54.1541 -11.656 O2L 7298 0 0 0 -0.65 7304 7302 OS4 SLES 1 13.6658 54.326 -10.0729 O2L 7298 0 0 0 -0.65 7305 7303 C2 SLES 1 13.7408 51.6739 -10.7895 CC32A 7299 7304 7305 7306 -0.11 7306 7304 H2A SLES 1 12.6713 51.8157 -10.4814 HCA2 7303 0 0 0 0.09 7307 7305 H2B SLES 1 14.3971 51.6477 -9.8795 HCA2 7303 0 0 0 0.09 7308 7306 C1 SLES 1 13.9174 50.4083 -11.656 CC32A 7303 7307 7308 7309 -0.01 7309 7307 H1B SLES 1 13.2814 50.4615 -12.5774 HCA2 7306 0 0 0 0.09 7310 7308 H1A SLES 1 14.9843 50.2829 -11.9643 HCA2 7306 0 0 0 0.09 7311 7309 O1 SLES 1 13.5993 49.1714 -11.1055 OC30A 7306 7310 0 0 -0.34 7312 7310 C2 SLES 1 13.1077 49.1412 -9.778 CC32A 7309 7311 7312 7313 -0.01 7313 7311 H2A SLES 1 12.1598 49.7463 -9.69562 HCA2 7310 0 0 0 0.09 7314 7312 H2B SLES 1 13.8539 49.556 -9.06056 HCA2 7310 0 0 0 0.09 7315 7313 C1 SLES 1 12.865 47.6031 -9.99248 CC32A 7310 7314 7315 7316 -0.01 7316 7314 H1B SLES 1 11.7895 47.7422 -9.82023 HCA2 7313 0 0 0 0.09 7317 7315 H1A SLES 1 13.6728 47.5547 -9.17553 HCA2 7313 0 0 0 0.09 7318 7316 O1 SLES 1 12.8641 46.2203 -9.7478 OC30A 7313 7317 0 0 -0.34 7319 7317 C1 SLES 1 12.2528 45.7511 -8.55451 CTL2 7316 7318 7319 7320 -0.18 7320 7318 H11 SLES 1 11.2335 46.1696 -8.32369 HAL2 7317 0 0 0 0.09 7321 7319 H12 SLES 1 12.9042 45.9688 -7.67094 HAL2 7317 0 0 0 0.09 7322 7320 C2 SLES 1 12.1932 44.2595 -8.8809 CTL2 7317 7321 7322 7323 -0.18 7323 7321 H21 SLES 1 11.5016 44.0152 -9.72272 HAL2 7320 0 0 0 0.09 7324 7322 H22 SLES 1 13.1966 43.8174 -9.0957 HAL2 7320 0 0 0 0.09 7325 7323 C3 SLES 1 11.6681 43.6698 -7.63478 CTL2 7320 7324 7325 7326 -0.18 7326 7324 H31 SLES 1 10.6678 44.1596 -7.48337 HAL2 7323 0 0 0 0.09 7327 7325 H32 SLES 1 12.4097 43.9623 -6.84094 HAL2 7323 0 0 0 0.09 7328 7326 C4 SLES 1 11.456 42.1965 -7.50292 CTL2 7323 7327 7328 7329 -0.18 7329 7327 H41 SLES 1 10.7233 41.8214 -8.25931 HAL2 7326 0 0 0 0.09 7330 7328 H42 SLES 1 12.4097 41.6343 -7.63837 HAL2 7326 0 0 0 0.09 7331 7329 C5 SLES 1 10.9245 42.1843 -6.06331 CTL2 7326 7330 7331 7332 -0.18 7332 7330 H51 SLES 1 10.0077 42.8261 -5.97685 HAL2 7329 0 0 0 0.09 7333 7331 H52 SLES 1 11.6739 42.64 -5.36391 HAL2 7329 0 0 0 0.09 7334 7332 C6 SLES 1 10.5692 40.8796 -5.49343 CTL2 7329 7333 7334 7335 -0.18 7335 7333 H61 SLES 1 9.4979 40.962 -5.16416 HAL2 7332 0 0 0 0.09 7336 7334 H62 SLES 1 11.1688 40.7752 -4.54954 HAL2 7332 0 0 0 0.09 7337 7335 C7 SLES 1 10.764 39.6535 -6.3936 CTL2 7332 7336 7337 7338 -0.18 7338 7336 H71 SLES 1 10.1316 39.6607 -7.31263 HAL2 7335 0 0 0 0.09 7339 7337 H72 SLES 1 11.8231 39.4716 -6.69008 HAL2 7335 0 0 0 0.09 7340 7338 C8 SLES 1 10.2998 38.5988 -5.45574 CTL2 7335 7339 7340 7341 -0.18 7341 7339 H81 SLES 1 9.23829 38.8598 -5.18531 HAL2 7338 0 0 0 0.09 7342 7340 H82 SLES 1 10.9661 38.6676 -4.54925 HAL2 7338 0 0 0 0.09 7343 7341 C9 SLES 1 10.2935 37.1691 -5.87138 CTL2 7338 7342 7343 7344 -0.18 7344 7342 H91 SLES 1 9.63016 37.0281 -6.75385 HAL2 7341 0 0 0 0.09 7345 7343 H92 SLES 1 11.3249 36.8393 -6.12949 HAL2 7341 0 0 0 0.09 7346 7344 C10 SLES 1 9.75282 36.5181 -4.6 CTL2 7341 7345 7346 7347 -0.18 7347 7345 H10 SLES 1 8.74384 36.9453 -4.35154 HAL2 7344 0 0 0 0.09 7348 7346 H10 SLES 1 10.4261 36.7576 -3.73234 HAL2 7344 0 0 0 0.09 7349 7347 C11 SLES 1 9.60979 35.032 -4.66111 CTL2 7344 7348 7349 7350 -0.18 7350 7348 H11 SLES 1 8.92427 34.7992 -5.509 HAL2 7347 0 0 0 0.09 7351 7349 H11 SLES 1 10.6167 34.6105 -4.88654 HAL2 7347 0 0 0 0.09 7352 7350 C12 SLES 1 9.06083 34.521 -3.32606 CTL3 7347 7351 7352 7353 -0.27 7353 7351 H12 SLES 1 8.0848 34.0222 -3.48304 HAL3 7350 0 0 0 0.09 7354 7352 H12 SLES 1 9.78889 33.8319 -2.85533 HAL3 7350 0 0 0 0.09 7355 7353 H12 SLES 1 8.88381 35.3468 -2.59387 HAL3 7350 0 0 0 0.09 7356 7354 NA SLES 1 1.2519 55.996 -13.974 NA 0 0 0 0 1 7357 7355 S SLES 1 -0.48998 55.9022 -11.4978 SL 7356 7357 7358 7359 1.33 7358 7356 OS1 SLES 1 0.0356554 54.5339 -11.6423 OSL 7355 7360 0 0 -0.28 7359 7357 OS2 SLES 1 -1.06018 55.8537 -12.8257 O2L 7355 0 0 0 -0.65 7360 7358 OS3 SLES 1 0.848698 56.4407 -11.4254 O2L 7355 0 0 0 -0.65 7361 7359 OS4 SLES 1 -1.34 55.901 -10.3405 O2L 7355 0 0 0 -0.65 7362 7360 C2 SLES 1 -0.183811 53.4551 -10.8242 CC32A 7356 7361 7362 7363 -0.11 7363 7361 H2A SLES 1 -1.27696 53.2063 -10.7792 HCA2 7360 0 0 0 0.09 7364 7362 H2B SLES 1 0.203164 53.6515 -9.78922 HCA2 7360 0 0 0 0.09 7365 7363 C1 SLES 1 0.621073 52.344 -11.5322 CC32A 7360 7364 7365 7366 -0.01 7366 7364 H1B SLES 1 0.245908 52.1803 -12.5756 HCA2 7363 0 0 0 0.09 7367 7365 H1A SLES 1 1.7063 52.6073 -11.5792 HCA2 7363 0 0 0 0.09 7368 7366 O1 SLES 1 0.6284 51.068 -10.9793 OC30A 7363 7367 0 0 -0.34 7369 7367 C2 SLES 1 -0.124691 50.8501 -9.80017 CC32A 7366 7368 7369 7370 -0.01 7370 7368 H2A SLES 1 -1.21367 51.0804 -9.98066 HCA2 7367 0 0 0 0.09 7371 7369 H2B SLES 1 0.23748 51.493 -8.96407 HCA2 7367 0 0 0 0.09 7372 7370 C1 SLES 1 0.238069 49.3281 -9.95063 CC32A 7367 7371 7372 7373 -0.01 7373 7371 H1B SLES 1 -0.827066 49.0763 -10.0387 HCA2 7370 0 0 0 0.09 7374 7372 H1A SLES 1 0.792486 49.5583 -8.96981 HCA2 7370 0 0 0 0.09 7375 7373 O1 SLES 1 0.656792 48.0313 -9.61159 OC30A 7370 7374 0 0 -0.34 7376 7374 C1 SLES 1 -0.0211082 47.362 -8.5578 CTL2 7373 7375 7376 7377 -0.18 7377 7375 H11 SLES 1 -1.1458 47.3908 -8.59671 HAL2 7374 0 0 0 0.09 7378 7376 H12 SLES 1 0.28348 47.7851 -7.56751 HAL2 7374 0 0 0 0.09 7379 7377 C2 SLES 1 0.518503 45.9496 -8.7786 CTL2 7374 7378 7379 7380 -0.18 7380 7378 H21 SLES 1 0.176663 45.487 -9.73557 HAL2 7377 0 0 0 0.09 7381 7379 H22 SLES 1 1.63312 45.893 -8.72603 HAL2 7377 0 0 0 0.09 7382 7380 C3 SLES 1 -0.0521241 45.1975 -7.64502 CTL2 7377 7381 7382 7383 -0.18 7383 7381 H31 SLES 1 -1.16526 45.3006 -7.76194 HAL2 7380 0 0 0 0.09 7384 7382 H32 SLES 1 0.329941 45.7234 -6.72678 HAL2 7380 0 0 0 0.09 7385 7383 C4 SLES 1 0.233177 43.7427 -7.457 CTL2 7380 7384 7385 7386 -0.18 7386 7384 H41 SLES 1 -0.121143 43.1421 -8.33076 HAL2 7383 0 0 0 0.09 7387 7385 H42 SLES 1 1.32523 43.5553 -7.32988 HAL2 7383 0 0 0 0.09 7388 7386 C5 SLES 1 -0.589096 43.5263 -6.17946 CTL2 7383 7387 7388 7389 -0.18 7389 7387 H51 SLES 1 -1.66356 43.8018 -6.35161 HAL2 7386 0 0 0 0.09 7390 7388 H52 SLES 1 -0.233893 44.2088 -5.36316 HAL2 7386 0 0 0 0.09 7391 7389 C6 SLES 1 -0.596769 42.1734 -5.61118 CTL2 7386 7390 7391 7392 -0.18 7392 7390 H61 SLES 1 -1.67606 41.8681 -5.54164 HAL2 7389 0 0 0 0.09 7393 7391 H62 SLES 1 -0.242321 42.2761 -4.55046 HAL2 7389 0 0 0 0.09 7394 7392 C7 SLES 1 0.219079 41.1061 -6.35063 CTL2 7389 7393 7394 7395 -0.18 7395 7393 H71 SLES 1 -0.137471 40.9005 -7.38755 HAL2 7392 0 0 0 0.09 7396 7394 H72 SLES 1 1.31388 41.3135 -6.3838 HAL2 7392 0 0 0 0.09 7397 7395 C8 SLES 1 -0.0617829 39.9441 -5.46827 CTL2 7392 7396 7397 7398 -0.18 7398 7396 H81 SLES 1 -1.1799 39.8102 -5.46678 HAL2 7395 0 0 0 0.09 7399 7397 H82 SLES 1 0.302254 40.233 -4.44139 HAL2 7395 0 0 0 0.09 7400 7398 C9 SLES 1 0.526095 38.6095 -5.76814 CTL2 7395 7399 7400 7401 -0.18 7401 7399 H91 SLES 1 0.183926 38.2539 -6.76573 HAL2 7398 0 0 0 0.09 7402 7400 H92 SLES 1 1.63769 38.6684 -5.75948 HAL2 7398 0 0 0 0.09 7403 7401 C10 SLES 1 -0.0435056 37.7942 -4.60907 CTL2 7398 7402 7403 7404 -0.18 7404 7402 H10 SLES 1 -1.1661 37.8345 -4.62914 HAL2 7401 0 0 0 0.09 7405 7403 H10 SLES 1 0.277096 38.2456 -3.63086 HAL2 7401 0 0 0 0.09 7406 7404 C11 SLES 1 0.355008 36.3543 -4.59174 CTL2 7401 7405 7406 7407 -0.18 7407 7405 H11 SLES 1 0.0162057 35.9046 -5.55404 HAL2 7404 0 0 0 0.09 7408 7406 H11 SLES 1 1.46831 36.3183 -4.55018 HAL2 7404 0 0 0 0.09 7409 7407 C12 SLES 1 -0.285688 35.6662 -3.38302 CTL3 7404 7408 7409 7410 -0.27 7410 7408 H12 SLES 1 -0.961353 34.8568 -3.72115 HAL3 7407 0 0 0 0.09 7411 7409 H12 SLES 1 0.500563 35.2731 -2.70943 HAL3 7407 0 0 0 0.09 7412 7410 H12 SLES 1 -0.906853 36.3674 -2.77318 HAL3 7407 0 0 0 0.09 7413 7411 NA SLES 1 -12.9514 54.6516 -13.6229 NA 0 0 0 0 1 7414 7412 S SLES 1 -15.063 53.7796 -11.6341 SL 7413 7414 7415 7416 1.33 7415 7413 OS1 SLES 1 -14.0699 52.692 -11.6322 OSL 7412 7417 0 0 -0.28 7416 7414 OS2 SLES 1 -15.2607 53.6348 -13.0591 O2L 7412 0 0 0 -0.65 7417 7415 OS3 SLES 1 -14.055 54.7408 -11.2502 O2L 7412 0 0 0 -0.65 7418 7416 OS4 SLES 1 -16.0976 53.3996 -10.7137 O2L 7412 0 0 0 -0.65 7419 7417 C2 SLES 1 -14.0744 51.5468 -10.8774 CC32A 7413 7418 7419 7420 -0.11 7420 7418 H2A SLES 1 -14.9886 50.9328 -11.0921 HCA2 7417 0 0 0 0.09 7421 7419 H2B SLES 1 -14.0284 51.7882 -9.78234 HCA2 7417 0 0 0 0.09 7422 7420 C1 SLES 1 -12.7903 50.8377 -11.3589 CC32A 7417 7421 7422 7423 -0.01 7423 7421 H1B SLES 1 -12.8351 50.6315 -12.4598 HCA2 7420 0 0 0 0.09 7424 7422 H1A SLES 1 -11.8878 51.4625 -11.1483 HCA2 7420 0 0 0 0.09 7425 7423 O1 SLES 1 -12.4589 49.6058 -10.805 OC30A 7420 7424 0 0 -0.34 7426 7424 C2 SLES 1 -13.334 49.055 -9.83763 CC32A 7423 7425 7426 7427 -0.01 7427 7425 H2A SLES 1 -14.3623 48.9073 -10.276 HCA2 7424 0 0 0 0.09 7428 7426 H2B SLES 1 -13.4229 49.7202 -8.94699 HCA2 7424 0 0 0 0.09 7429 7427 C1 SLES 1 -12.4329 47.7677 -9.87863 CC32A 7424 7428 7429 7430 -0.01 7430 7428 H1B SLES 1 -13.2904 47.1705 -10.2158 HCA2 7427 0 0 0 0.09 7431 7429 H1A SLES 1 -12.2347 48.1026 -8.79654 HCA2 7427 0 0 0 0.09 7432 7430 O1 SLES 1 -11.6722 46.6744 -9.4337 OC30A 7427 7431 0 0 -0.34 7433 7431 C1 SLES 1 -12.2911 45.7365 -8.5646 CTL2 7430 7432 7433 7434 -0.18 7434 7432 H11 SLES 1 -13.3129 45.3775 -8.87165 HAL2 7431 0 0 0 0.09 7435 7433 H12 SLES 1 -12.3898 46.1648 -7.53537 HAL2 7431 0 0 0 0.09 7436 7434 C2 SLES 1 -11.2522 44.6179 -8.63293 CTL2 7431 7435 7436 7437 -0.18 7437 7435 H21 SLES 1 -11.181 44.1374 -9.63824 HAL2 7434 0 0 0 0.09 7438 7436 H22 SLES 1 -10.2329 44.9464 -8.31468 HAL2 7434 0 0 0 0.09 7439 7437 C3 SLES 1 -11.7627 43.6338 -7.65971 CTL2 7434 7438 7439 7440 -0.18 7440 7438 H31 SLES 1 -12.7825 43.354 -8.04064 HAL2 7437 0 0 0 0.09 7441 7439 H32 SLES 1 -11.811 44.1904 -6.68315 HAL2 7437 0 0 0 0.09 7442 7440 C4 SLES 1 -11.0328 42.3577 -7.39141 CTL2 7437 7441 7442 7443 -0.18 7443 7441 H41 SLES 1 -10.9431 41.7376 -8.31724 HAL2 7440 0 0 0 0.09 7444 7442 H42 SLES 1 -10.0047 42.5505 -7.0046 HAL2 7440 0 0 0 0.09 7445 7443 C5 SLES 1 -11.9936 41.777 -6.34503 CTL2 7440 7444 7445 7446 -0.18 7446 7444 H51 SLES 1 -13.0266 41.676 -6.77242 HAL2 7443 0 0 0 0.09 7447 7445 H52 SLES 1 -12.0983 42.4783 -5.47577 HAL2 7443 0 0 0 0.09 7448 7446 C6 SLES 1 -11.6522 40.467 -5.77882 CTL2 7443 7447 7448 7449 -0.18 7449 7447 H61 SLES 1 -12.5395 39.8033 -5.96571 HAL2 7446 0 0 0 0.09 7450 7448 H62 SLES 1 -11.6085 40.6077 -4.66543 HAL2 7446 0 0 0 0.09 7451 7449 C7 SLES 1 -10.3664 39.805 -6.28883 CTL2 7446 7450 7451 7452 -0.18 7452 7450 H71 SLES 1 -10.3811 39.5656 -7.37837 HAL2 7449 0 0 0 0.09 7453 7451 H72 SLES 1 -9.43876 40.3799 -6.06174 HAL2 7449 0 0 0 0.09 7454 7452 C8 SLES 1 -10.4119 38.556 -5.48528 CTL2 7449 7453 7454 7455 -0.18 7455 7453 H81 SLES 1 -11.3795 38.0441 -5.74958 HAL2 7452 0 0 0 0.09 7456 7454 H82 SLES 1 -10.4176 38.8766 -4.40471 HAL2 7452 0 0 0 0.09 7457 7455 C9 SLES 1 -9.33879 37.5328 -5.61978 CTL2 7452 7456 7457 7458 -0.18 7458 7456 H91 SLES 1 -9.29638 37.1552 -6.66589 HAL2 7455 0 0 0 0.09 7459 7457 H92 SLES 1 -8.35293 37.9715 -5.34628 HAL2 7455 0 0 0 0.09 7460 7458 C10 SLES 1 -9.83177 36.488 -4.6208 CTL2 7455 7459 7460 7461 -0.18 7461 7459 H10 SLES 1 -10.86 36.1391 -4.90921 HAL2 7458 0 0 0 0.09 7462 7460 H10 SLES 1 -9.92319 36.9492 -3.59982 HAL2 7458 0 0 0 0.09 7463 7461 C11 SLES 1 -8.96554 35.2775 -4.49134 CTL2 7458 7462 7463 7464 -0.18 7464 7462 H11 SLES 1 -8.89486 34.8104 -5.50125 HAL2 7461 0 0 0 0.09 7465 7463 H11 SLES 1 -7.9521 35.6256 -4.18434 HAL2 7461 0 0 0 0.09 7466 7464 C12 SLES 1 -9.57929 34.3235 -3.46268 CTL3 7461 7465 7466 7467 -0.27 7467 7465 H12 SLES 1 -9.82942 33.3575 -3.9428 HAL3 7464 0 0 0 0.09 7468 7466 H12 SLES 1 -8.88049 34.178 -2.61594 HAL3 7464 0 0 0 0.09 7469 7467 H12 SLES 1 -10.5295 34.7199 -3.02756 HAL3 7464 0 0 0 0.09 7470 7468 NA SLES 1 -26.5091 49.7276 -13.1922 NA 0 0 0 0 1 7471 7469 S SLES 1 -28.5192 47.9405 -11.7994 SL 7470 7471 7472 7473 1.33 7472 7470 OS1 SLES 1 -27.2235 47.2637 -11.6197 OSL 7469 7474 0 0 -0.28 7473 7471 OS2 SLES 1 -28.3608 47.9237 -13.2365 O2L 7469 0 0 0 -0.65 7474 7472 OS3 SLES 1 -28.0237 49.1279 -11.1423 O2L 7469 0 0 0 -0.65 7475 7473 OS4 SLES 1 -29.5102 47.1159 -11.167 O2L 7469 0 0 0 -0.65 7476 7474 C2 SLES 1 -26.9674 46.0971 -10.9455 CC32A 7470 7475 7476 7477 -0.11 7477 7475 H2A SLES 1 -27.5364 45.2429 -11.3987 HCA2 7474 0 0 0 0.09 7478 7476 H2B SLES 1 -27.2325 46.1952 -9.85935 HCA2 7474 0 0 0 0.09 7479 7477 C1 SLES 1 -25.4455 45.9345 -11.148 CC32A 7474 7478 7479 7480 -0.01 7480 7478 H1B SLES 1 -25.1909 45.8703 -12.2377 HCA2 7477 0 0 0 0.09 7481 7479 H1A SLES 1 -24.8904 46.7953 -10.7008 HCA2 7477 0 0 0 0.09 7482 7480 O1 SLES 1 -24.8119 44.8271 -10.5945 OC30A 7477 7481 0 0 -0.34 7483 7481 C2 SLES 1 -25.6055 43.8914 -9.88781 CC32A 7480 7482 7483 7484 -0.01 7484 7482 H2A SLES 1 -26.4011 43.462 -10.5616 HCA2 7481 0 0 0 0.09 7485 7483 H2B SLES 1 -26.1049 44.3652 -9.01047 HCA2 7481 0 0 0 0.09 7486 7484 C1 SLES 1 -24.3132 43.0029 -9.78139 CC32A 7481 7485 7486 7487 -0.01 7487 7485 H1B SLES 1 -24.8119 42.1995 -10.3395 HCA2 7484 0 0 0 0.09 7488 7486 H1A SLES 1 -24.4706 43.2415 -8.66753 HCA2 7484 0 0 0 0.09 7489 7487 O1 SLES 1 -23.3163 42.1844 -9.22627 OC30A 7484 7488 0 0 -0.34 7490 7488 C1 SLES 1 -23.7175 40.9877 -8.57444 CTL2 7487 7489 7490 7491 -0.18 7491 7489 H11 SLES 1 -24.4576 40.3466 -9.1298 HAL2 7488 0 0 0 0.09 7492 7490 H12 SLES 1 -24.1684 41.2195 -7.57673 HAL2 7488 0 0 0 0.09 7493 7491 C2 SLES 1 -22.3549 40.3067 -8.45382 CTL2 7488 7492 7493 7494 -0.18 7494 7492 H21 SLES 1 -21.915 40.0139 -9.43735 HAL2 7491 0 0 0 0.09 7495 7493 H22 SLES 1 -21.6082 40.9172 -7.88969 HAL2 7491 0 0 0 0.09 7496 7494 C3 SLES 1 -22.6616 39.0902 -7.67784 CTL2 7491 7495 7496 7497 -0.18 7497 7495 H31 SLES 1 -23.4136 38.5332 -8.30047 HAL2 7494 0 0 0 0.09 7498 7496 H32 SLES 1 -23.1022 39.4654 -6.71302 HAL2 7494 0 0 0 0.09 7499 7497 C4 SLES 1 -21.5915 38.1139 -7.31061 CTL2 7494 7498 7499 7500 -0.18 7500 7498 H41 SLES 1 -21.1006 37.6869 -8.21968 HAL2 7497 0 0 0 0.09 7501 7499 H42 SLES 1 -20.8019 38.592 -6.68469 HAL2 7497 0 0 0 0.09 7502 7500 C5 SLES 1 -22.4684 37.111 -6.54875 CTL2 7497 7501 7502 7503 -0.18 7503 7501 H51 SLES 1 -23.2874 36.7221 -7.21061 HAL2 7500 0 0 0 0.09 7504 7502 H52 SLES 1 -22.9909 37.6159 -5.69405 HAL2 7500 0 0 0 0.09 7505 7503 C6 SLES 1 -21.8 35.9327 -5.98492 CTL2 7500 7504 7505 7506 -0.18 7506 7504 H61 SLES 1 -22.3321 35.0376 -6.40745 HAL2 7503 0 0 0 0.09 7507 7505 H62 SLES 1 -22.0346 35.9338 -4.88663 HAL2 7503 0 0 0 0.09 7508 7506 C7 SLES 1 -20.2878 35.8182 -6.21239 CTL2 7503 7507 7508 7509 -0.18 7509 7507 H71 SLES 1 -19.996 35.7318 -7.2857 HAL2 7506 0 0 0 0.09 7510 7508 H72 SLES 1 -19.695 36.639 -5.74586 HAL2 7506 0 0 0 0.09 7511 7509 C8 SLES 1 -20.0415 34.5347 -5.50563 CTL2 7506 7510 7511 7512 -0.18 7512 7510 H81 SLES 1 -20.6858 33.7639 -6.01446 HAL2 7509 0 0 0 0.09 7513 7511 H82 SLES 1 -20.3793 34.6909 -4.4417 HAL2 7509 0 0 0 0.09 7514 7512 C9 SLES 1 -18.6686 33.9627 -5.43642 CTL2 7509 7513 7514 7515 -0.18 7515 7513 H91 SLES 1 -18.2838 33.7613 -6.46116 HAL2 7512 0 0 0 0.09 7516 7514 H92 SLES 1 -17.9831 34.6703 -4.91805 HAL2 7512 0 0 0 0.09 7517 7515 C10 SLES 1 -18.9428 32.6922 -4.6344 CTL2 7512 7516 7517 7518 -0.18 7518 7516 H10 SLES 1 -19.6962 32.0559 -5.17266 HAL2 7515 0 0 0 0.09 7519 7517 H10 SLES 1 -19.3973 32.9582 -3.64134 HAL2 7515 0 0 0 0.09 7520 7518 C11 SLES 1 -17.7441 31.8413 -4.36676 CTL2 7515 7519 7520 7521 -0.18 7521 7519 H11 SLES 1 -17.3087 31.5614 -5.35423 HAL2 7518 0 0 0 0.09 7522 7520 H11 SLES 1 -17.0077 32.4695 -3.81397 HAL2 7518 0 0 0 0.09 7523 7521 C12 SLES 1 -18.167 30.6106 -3.55963 CTL3 7518 7522 7523 7524 -0.27 7524 7522 H12 SLES 1 -17.9509 29.6882 -4.13288 HAL3 7521 0 0 0 0.09 7525 7523 H12 SLES 1 -17.6482 30.602 -2.58125 HAL3 7521 0 0 0 0.09 7526 7524 H12 SLES 1 -19.2629 30.6011 -3.33969 HAL3 7521 0 0 0 0.09 7527 7525 NA SLES 1 -38.517 41.4131 -12.7112 NA 0 0 0 0 1 7528 7526 S SLES 1 -39.9357 38.8381 -11.9823 SL 7527 7528 7529 7530 1.33 7529 7527 OS1 SLES 1 -38.5295 38.6146 -11.6056 OSL 7526 7531 0 0 -0.28 7530 7528 OS2 SLES 1 -39.5534 39.131 -13.3457 O2L 7526 0 0 0 -0.65 7531 7529 OS3 SLES 1 -40.0181 39.9863 -11.1092 O2L 7526 0 0 0 -0.65 7532 7530 OS4 SLES 1 -40.6469 37.6306 -11.6695 O2L 7526 0 0 0 -0.65 7533 7531 C2 SLES 1 -37.9787 37.5014 -11.0237 CC32A 7527 7532 7533 7534 -0.11 7534 7532 H2A SLES 1 -38.1176 36.6008 -11.6783 HCA2 7531 0 0 0 0.09 7535 7533 H2B SLES 1 -38.4321 37.3104 -10.015 HCA2 7531 0 0 0 0.09 7536 7534 C1 SLES 1 -36.4905 37.8974 -10.9138 CC32A 7531 7535 7536 7537 -0.01 7537 7535 H1B SLES 1 -36.0585 38.117 -11.9245 HCA2 7534 0 0 0 0.09 7538 7536 H1A SLES 1 -36.3658 38.8006 -10.2674 HCA2 7534 0 0 0 0.09 7539 7537 O1 SLES 1 -35.5954 36.9871 -10.3622 OC30A 7534 7538 0 0 -0.34 7540 7538 C2 SLES 1 -36.0971 35.7297 -9.94729 CC32A 7537 7539 7540 7541 -0.01 7541 7539 H2A SLES 1 -36.5629 35.1852 -10.8179 HCA2 7538 0 0 0 0.09 7542 7540 H2B SLES 1 -36.8684 35.8447 -9.15019 HCA2 7538 0 0 0 0.09 7543 7541 C1 SLES 1 -34.6053 35.3222 -9.66554 CC32A 7538 7542 7543 7544 -0.01 7544 7542 H1B SLES 1 -34.6813 34.5107 -10.4013 HCA2 7541 0 0 0 0.09 7545 7543 H1A SLES 1 -35.0153 35.2923 -8.59157 HCA2 7541 0 0 0 0.09 7546 7544 O1 SLES 1 -33.4821 34.8007 -9.00342 OC30A 7541 7545 0 0 -0.34 7547 7545 C1 SLES 1 -33.5199 33.4432 -8.58664 CTL2 7544 7546 7547 7548 -0.18 7548 7546 H11 SLES 1 -33.8769 32.7004 -9.35354 HAL2 7545 0 0 0 0.09 7549 7547 H12 SLES 1 -34.1782 33.3292 -7.68875 HAL2 7545 0 0 0 0.09 7550 7548 C2 SLES 1 -32.0414 33.2488 -8.25346 CTL2 7545 7549 7550 7551 -0.18 7551 7549 H21 SLES 1 -31.3733 33.3 -9.1466 HAL2 7548 0 0 0 0.09 7552 7550 H22 SLES 1 -31.6687 33.9638 -7.48001 HAL2 7548 0 0 0 0.09 7553 7551 C3 SLES 1 -32.0052 31.8825 -7.69817 CTL2 7548 7552 7553 7554 -0.18 7554 7552 H31 SLES 1 -32.3929 31.2256 -8.52373 HAL2 7551 0 0 0 0.09 7555 7553 H32 SLES 1 -32.7008 31.9106 -6.81436 HAL2 7551 0 0 0 0.09 7556 7554 C4 SLES 1 -30.7274 31.273 -7.22013 CTL2 7551 7555 7556 7557 -0.18 7557 7555 H41 SLES 1 -29.9757 31.204 -8.04472 HAL2 7554 0 0 0 0.09 7558 7556 H42 SLES 1 -30.277 31.8689 -6.39196 HAL2 7554 0 0 0 0.09 7559 7557 C5 SLES 1 -31.2898 29.9157 -6.77673 CTL2 7554 7558 7559 7560 -0.18 7560 7558 H51 SLES 1 -31.7938 29.3988 -7.63631 HAL2 7557 0 0 0 0.09 7561 7559 H52 SLES 1 -32.0901 30.0558 -6.00315 HAL2 7557 0 0 0 0.09 7562 7560 C6 SLES 1 -30.3386 28.9496 -6.21544 CTL2 7557 7561 7562 7563 -0.18 7563 7561 H61 SLES 1 -30.4338 28.018 -6.83676 HAL2 7560 0 0 0 0.09 7564 7562 H62 SLES 1 -30.7307 28.6768 -5.19898 HAL2 7560 0 0 0 0.09 7565 7563 C7 SLES 1 -28.8728 29.3912 -6.12653 CTL2 7560 7564 7565 7566 -0.18 7566 7564 H71 SLES 1 -28.4013 29.5998 -7.11586 HAL2 7563 0 0 0 0.09 7567 7565 H72 SLES 1 -28.7021 30.2665 -5.45767 HAL2 7563 0 0 0 0.09 7568 7566 C8 SLES 1 -28.2938 28.1608 -5.52791 CTL2 7563 7567 7568 7569 -0.18 7569 7567 H81 SLES 1 -28.5232 27.322 -6.24337 HAL2 7566 0 0 0 0.09 7570 7568 H82 SLES 1 -28.8314 28.0031 -4.54985 HAL2 7566 0 0 0 0.09 7571 7569 C9 SLES 1 -26.8372 28.0798 -5.23056 CTL2 7566 7570 7571 7572 -0.18 7572 7570 H91 SLES 1 -26.2463 28.2045 -6.16546 HAL2 7569 0 0 0 0.09 7573 7571 H92 SLES 1 -26.5486 28.8722 -4.50398 HAL2 7569 0 0 0 0.09 7574 7572 C10 SLES 1 -26.7558 26.6699 -4.64894 CTL2 7569 7573 7574 7575 -0.18 7575 7573 H10 SLES 1 -27.1294 25.9241 -5.40154 HAL2 7572 0 0 0 0.09 7576 7574 H10 SLES 1 -27.4289 26.5872 -3.75259 HAL2 7572 0 0 0 0.09 7577 7575 C11 SLES 1 -25.3895 26.2372 -4.22649 CTL2 7572 7576 7577 7578 -0.18 7578 7576 H11 SLES 1 -24.7296 26.2997 -5.12299 HAL2 7575 0 0 0 0.09 7579 7577 H11 SLES 1 -25.0307 26.9671 -3.46429 HAL2 7575 0 0 0 0.09 7580 7578 C12 SLES 1 -25.4598 24.8134 -3.66726 CTL3 7575 7579 7580 7581 -0.27 7581 7579 H12 SLES 1 -24.8342 24.1343 -4.27844 HAL3 7578 0 0 0 0.09 7582 7580 H12 SLES 1 -25.1377 24.8056 -2.60771 HAL3 7578 0 0 0 0.09 7583 7581 H12 SLES 1 -26.4973 24.398 -3.68828 HAL3 7578 0 0 0 0.09 7584 7582 NA SLES 1 -48.1008 30.138 -12.2128 NA 0 0 0 0 1 7585 7583 S SLES 1 -48.557 27.1439 -12.1705 SL 7584 7585 7586 7587 1.33 7586 7584 OS1 SLES 1 -47.2158 27.3302 -11.5909 OSL 7583 7588 0 0 -0.28 7587 7585 OS2 SLES 1 -48.161 27.8314 -13.3793 O2L 7583 0 0 0 -0.65 7588 7586 OS3 SLES 1 -49.1458 27.9838 -11.1531 O2L 7583 0 0 0 -0.65 7589 7587 OS4 SLES 1 -48.8102 25.7306 -12.187 O2L 7583 0 0 0 -0.65 7590 7588 C2 SLES 1 -46.3651 26.3694 -11.1068 CC32A 7584 7589 7590 7591 -0.11 7591 7589 H2A SLES 1 -46.0949 25.6358 -11.9117 HCA2 7588 0 0 0 0.09 7592 7590 H2B SLES 1 -46.8252 25.827 -10.2387 HCA2 7588 0 0 0 0.09 7593 7591 C1 SLES 1 -45.1442 27.2084 -10.6723 CC32A 7588 7592 7593 7594 -0.01 7594 7592 H1B SLES 1 -44.7141 27.7702 -11.5416 HCA2 7591 0 0 0 0.09 7595 7593 H1A SLES 1 -45.4277 27.9413 -9.87745 HCA2 7591 0 0 0 0.09 7596 7594 O1 SLES 1 -44.0454 26.5557 -10.1239 OC30A 7591 7595 0 0 -0.34 7597 7595 C2 SLES 1 -44.0978 25.1452 -10.012 CC32A 7594 7596 7597 7598 -0.01 7598 7596 H2A SLES 1 -44.2358 24.6748 -11.0275 HCA2 7595 0 0 0 0.09 7599 7597 H2B SLES 1 -44.9402 24.8222 -9.35663 HCA2 7595 0 0 0 0.09 7600 7598 C1 SLES 1 -42.6002 25.2115 -9.53896 CC32A 7595 7599 7600 7601 -0.01 7601 7599 H1B SLES 1 -42.2953 24.5982 -10.3971 HCA2 7598 0 0 0 0.09 7602 7600 H1A SLES 1 -43.0859 24.8177 -8.57384 HCA2 7598 0 0 0 0.09 7603 7601 O1 SLES 1 -41.4437 24.9686 -8.78035 OC30A 7598 7602 0 0 -0.34 7604 7602 C1 SLES 1 -41.0308 23.6213 -8.60038 CTL2 7601 7603 7604 7605 -0.18 7605 7603 H11 SLES 1 -41.0074 22.9834 -9.52764 HAL2 7602 0 0 0 0.09 7606 7604 H12 SLES 1 -41.6963 23.1046 -7.86382 HAL2 7602 0 0 0 0.09 7607 7605 C2 SLES 1 -39.6285 23.8678 -8.04551 CTL2 7602 7606 7607 7608 -0.18 7608 7606 H21 SLES 1 -38.9316 24.3292 -8.7858 HAL2 7605 0 0 0 0.09 7609 7607 H22 SLES 1 -39.628 24.4841 -7.11357 HAL2 7605 0 0 0 0.09 7610 7608 C3 SLES 1 -39.1591 22.5079 -7.71933 CTL2 7605 7609 7610 7611 -0.18 7611 7609 H31 SLES 1 -39.1889 21.9509 -8.6952 HAL2 7608 0 0 0 0.09 7612 7610 H32 SLES 1 -39.9093 22.1119 -6.98026 HAL2 7608 0 0 0 0.09 7613 7611 C4 SLES 1 -37.8074 22.2752 -7.12611 CTL2 7608 7612 7613 7614 -0.18 7614 7612 H41 SLES 1 -36.9969 22.6398 -7.80429 HAL2 7611 0 0 0 0.09 7615 7613 H42 SLES 1 -37.6978 22.7966 -6.14635 HAL2 7611 0 0 0 0.09 7616 7614 C5 SLES 1 -37.8829 20.7466 -7.01343 CTL2 7611 7615 7616 7617 -0.18 7617 7615 H51 SLES 1 -38.0674 20.2864 -8.0205 HAL2 7614 0 0 0 0.09 7618 7616 H52 SLES 1 -38.7586 20.4418 -6.38198 HAL2 7614 0 0 0 0.09 7619 7617 C6 SLES 1 -36.7129 20.0593 -6.45466 CTL2 7614 7618 7619 7620 -0.18 7620 7618 H61 SLES 1 -36.3946 19.305 -7.22439 HAL2 7617 0 0 0 0.09 7621 7619 H62 SLES 1 -37.0875 19.4609 -5.5812 HAL2 7617 0 0 0 0.09 7622 7620 C7 SLES 1 -35.527 20.9373 -6.0371 CTL2 7617 7621 7622 7623 -0.18 7623 7621 H71 SLES 1 -35.0587 21.4977 -6.88042 HAL2 7620 0 0 0 0.09 7624 7622 H72 SLES 1 -35.7602 21.6553 -5.21683 HAL2 7620 0 0 0 0.09 7625 7623 C8 SLES 1 -34.6094 19.8748 -5.55062 CTL2 7620 7624 7625 7626 -0.18 7626 7624 H81 SLES 1 -34.4387 19.1806 -6.42069 HAL2 7623 0 0 0 0.09 7627 7625 H82 SLES 1 -35.1562 19.3414 -4.72179 HAL2 7623 0 0 0 0.09 7628 7626 C9 SLES 1 -33.2647 20.2257 -5.01622 CTL2 7623 7627 7628 7629 -0.18 7629 7627 H91 SLES 1 -32.6614 20.7375 -5.79897 HAL2 7626 0 0 0 0.09 7630 7628 H92 SLES 1 -33.3651 20.8948 -4.13227 HAL2 7626 0 0 0 0.09 7631 7629 C10 SLES 1 -32.7404 18.8353 -4.66343 CTL2 7626 7630 7631 7632 -0.18 7632 7630 H10 SLES 1 -32.7329 18.1859 -5.58024 HAL2 7629 0 0 0 0.09 7633 7631 H10 SLES 1 -33.431 18.3426 -3.92598 HAL2 7629 0 0 0 0.09 7634 7632 C11 SLES 1 -31.3652 18.8064 -4.08009 CTL2 7629 7633 7634 7635 -0.18 7635 7633 H11 SLES 1 -30.6795 19.276 -4.82329 HAL2 7632 0 0 0 0.09 7636 7634 H11 SLES 1 -31.3818 19.4341 -3.15915 HAL2 7632 0 0 0 0.09 7637 7635 C12 SLES 1 -30.9737 17.357 -3.77822 CTL3 7632 7636 7637 7638 -0.27 7638 7636 H12 SLES 1 -30.0814 17.0739 -4.36955 HAL3 7635 0 0 0 0.09 7639 7637 H12 SLES 1 -30.7885 17.2322 -2.69353 HAL3 7635 0 0 0 0.09 7640 7638 H12 SLES 1 -31.7803 16.6323 -4.0496 HAL3 7635 0 0 0 0.09 7641 7639 NA SLES 1 -54.4906 16.5803 -11.7309 NA 0 0 0 0 1 7642 7640 S SLES 1 -53.8407 13.6877 -12.3511 SL 7641 7642 7643 7644 1.33 7643 7641 OS1 SLES 1 -52.6873 14.1766 -11.5766 OSL 7640 7645 0 0 -0.28 7644 7642 OS2 SLES 1 -53.6583 14.7314 -13.3351 O2L 7640 0 0 0 -0.65 7645 7643 OS3 SLES 1 -54.7426 14.0151 -11.271 O2L 7640 0 0 0 -0.65 7646 7644 OS4 SLES 1 -53.5674 12.318 -12.6842 O2L 7640 0 0 0 -0.65 7647 7645 C2 SLES 1 -51.5733 13.4763 -11.1892 CC32A 7641 7646 7647 7648 -0.11 7648 7646 H2A SLES 1 -51.0172 13.088 -12.083 HCA2 7645 0 0 0 0.09 7649 7647 H2B SLES 1 -51.8506 12.6229 -10.5151 HCA2 7645 0 0 0 0.09 7650 7648 C1 SLES 1 -50.7595 14.5532 -10.4398 CC32A 7645 7649 7650 7651 -0.01 7651 7649 H1B SLES 1 -50.5171 15.4144 -11.115 HCA2 7648 0 0 0 0.09 7652 7650 H1A SLES 1 -51.3271 14.9388 -9.55763 HCA2 7648 0 0 0 0.09 7653 7651 O1 SLES 1 -49.5284 14.2028 -9.89578 OC30A 7648 7652 0 0 -0.34 7654 7652 C2 SLES 1 -49.0755 12.8737 -10.0776 CC32A 7651 7653 7654 7655 -0.01 7655 7653 H2A SLES 1 -48.9839 12.636 -11.176 HCA2 7652 0 0 0 0.09 7656 7654 H2B SLES 1 -49.7771 12.1402 -9.61572 HCA2 7652 0 0 0 0.09 7657 7655 C1 SLES 1 -47.7278 13.3312 -9.4103 CC32A 7652 7656 7657 7658 -0.01 7658 7656 H1B SLES 1 -47.1799 13.0767 -10.3272 HCA2 7655 0 0 0 0.09 7659 7657 H1A SLES 1 -48.0872 12.5818 -8.61555 HCA2 7655 0 0 0 0.09 7660 7658 O1 SLES 1 -46.601 13.3245 -8.57226 OC30A 7655 7659 0 0 -0.34 7661 7659 C1 SLES 1 -45.7407 12.1949 -8.61472 CTL2 7658 7660 7661 7662 -0.18 7662 7660 H11 SLES 1 -45.4429 11.8387 -9.64022 HAL2 7659 0 0 0 0.09 7663 7661 H12 SLES 1 -46.212 11.326 -8.08998 HAL2 7659 0 0 0 0.09 7664 7662 C2 SLES 1 -44.5508 12.7652 -7.84415 CTL2 7659 7663 7664 7665 -0.18 7665 7663 H21 SLES 1 -44.0302 13.5953 -8.37954 HAL2 7662 0 0 0 0.09 7666 7664 H22 SLES 1 -44.8188 13.1087 -6.81533 HAL2 7662 0 0 0 0.09 7667 7665 C3 SLES 1 -43.6406 11.6089 -7.73986 CTL2 7662 7666 7667 7668 -0.18 7668 7666 H31 SLES 1 -43.419 11.3198 -8.8032 HAL2 7665 0 0 0 0.09 7669 7667 H32 SLES 1 -44.2343 10.8208 -7.19941 HAL2 7665 0 0 0 0.09 7670 7668 C4 SLES 1 -42.3274 11.7165 -7.03498 CTL2 7665 7669 7670 7671 -0.18 7671 7669 H41 SLES 1 -41.6693 12.4823 -7.51477 HAL2 7668 0 0 0 0.09 7672 7670 H42 SLES 1 -42.462 11.9995 -5.96461 HAL2 7668 0 0 0 0.09 7673 7671 C5 SLES 1 -41.8535 10.2717 -7.24273 CTL2 7668 7672 7673 7674 -0.18 7674 7672 H51 SLES 1 -41.8092 10.0256 -8.33702 HAL2 7671 0 0 0 0.09 7675 7673 H52 SLES 1 -42.5915 9.54928 -6.80473 HAL2 7671 0 0 0 0.09 7676 7674 C6 SLES 1 -40.5443 9.91157 -6.68629 CTL2 7671 7675 7676 7677 -0.18 7677 7675 H61 SLES 1 -39.9376 9.5124 -7.54391 HAL2 7674 0 0 0 0.09 7678 7676 H62 SLES 1 -40.7219 9.03484 -6.00723 HAL2 7674 0 0 0 0.09 7679 7677 C7 SLES 1 -39.7761 11.016 -5.95019 CTL2 7674 7678 7679 7680 -0.18 7680 7678 H71 SLES 1 -39.499 11.8828 -6.59542 HAL2 7677 0 0 0 0.09 7681 7679 H72 SLES 1 -40.2929 11.399 -5.03974 HAL2 7677 0 0 0 0.09 7682 7680 C8 SLES 1 -38.5634 10.2452 -5.5722 CTL2 7677 7681 7682 7683 -0.18 7683 7681 H81 SLES 1 -38.1109 9.87426 -6.53436 HAL2 7680 0 0 0 0.09 7684 7682 H82 SLES 1 -38.9227 9.37977 -4.94579 HAL2 7680 0 0 0 0.09 7685 7683 C9 SLES 1 -37.4637 10.8959 -4.808 CTL2 7680 7684 7685 7686 -0.18 7686 7684 H91 SLES 1 -37.0463 11.7501 -5.38666 HAL2 7683 0 0 0 0.09 7687 7685 H92 SLES 1 -37.8423 11.2646 -3.82826 HAL2 7683 0 0 0 0.09 7688 7686 C10 SLES 1 -36.4928 9.72423 -4.67687 CTL2 7683 7687 7688 7689 -0.18 7689 7687 H10 SLES 1 -36.2061 9.34976 -5.6966 HAL2 7686 0 0 0 0.09 7690 7688 H10 SLES 1 -36.996 8.86848 -4.1497 HAL2 7686 0 0 0 0.09 7691 7689 C11 SLES 1 -35.2303 10.0278 -3.93754 CTL2 7686 7690 7691 7692 -0.18 7692 7690 H11 SLES 1 -34.7231 10.8622 -4.47556 HAL2 7689 0 0 0 0.09 7693 7691 H11 SLES 1 -35.5179 10.3785 -2.91933 HAL2 7689 0 0 0 0.09 7694 7692 C12 SLES 1 -34.3594 8.76933 -3.88496 CTL3 7689 7693 7694 7695 -0.27 7695 7693 H12 SLES 1 -33.3965 8.95243 -4.40002 HAL3 7692 0 0 0 0.09 7696 7694 H12 SLES 1 -34.1965 8.46446 -2.83284 HAL3 7692 0 0 0 0.09 7697 7695 H12 SLES 1 -34.8366 7.899 -4.399 HAL3 7692 0 0 0 0.09 7698 7696 NA SLES 1 -57.1043 1.64418 -11.2983 NA 0 0 0 0 1 7699 7697 S SLES 1 -55.4822 -0.607557 -12.5118 SL 7698 7699 7700 7701 1.33 7700 7698 OS1 SLES 1 -54.5665 0.0495181 -11.5636 OSL 7697 7702 0 0 -0.28 7701 7699 OS2 SLES 1 -55.6921 0.637759 -13.2159 O2L 7697 0 0 0 -0.65 7702 7700 OS3 SLES 1 -56.4285 -0.880562 -11.4548 O2L 7697 0 0 0 -0.65 7703 7701 OS4 SLES 1 -54.7467 -1.67631 -13.1272 O2L 7697 0 0 0 -0.65 7704 7702 C2 SLES 1 -53.2725 -0.293442 -11.2651 CC32A 7698 7703 7704 7705 -0.11 7705 7703 H2A SLES 1 -52.6258 -0.239842 -12.1805 HCA2 7702 0 0 0 0.09 7706 7704 H2B SLES 1 -53.2223 -1.32482 -10.8255 HCA2 7702 0 0 0 0.09 7707 7705 C1 SLES 1 -52.8824 0.785828 -10.2324 CC32A 7702 7706 7707 7708 -0.01 7708 7706 H1B SLES 1 -52.968 1.81251 -10.6739 HCA2 7705 0 0 0 0.09 7709 7707 H1A SLES 1 -53.539 0.728524 -9.32971 HCA2 7705 0 0 0 0.09 7710 7708 O1 SLES 1 -51.6006 0.763312 -9.69348 OC30A 7705 7709 0 0 -0.34 7711 7709 C2 SLES 1 -50.7096 -0.242648 -10.1396 CC32A 7708 7710 7711 7712 -0.01 7712 7710 H2A SLES 1 -50.5531 -0.164001 -11.2535 HCA2 7709 0 0 0 0.09 7713 7711 H2B SLES 1 -51.1013 -1.26114 -9.90981 HCA2 7709 0 0 0 0.09 7714 7712 C1 SLES 1 -49.6024 0.478817 -9.28831 CC32A 7709 7713 7714 7715 -0.01 7715 7713 H1B SLES 1 -49.0111 0.65649 -10.1963 HCA2 7712 0 0 0 0.09 7716 7714 H1A SLES 1 -49.6643 -0.515444 -8.71386 HCA2 7712 0 0 0 0.09 7717 7715 O1 SLES 1 -48.5359 0.661847 -8.39332 OC30A 7712 7716 0 0 -0.34 7718 7716 C1 SLES 1 -47.3327 -0.0556061 -8.62868 CTL2 7715 7717 7718 7719 -0.18 7719 7717 H11 SLES 1 -46.9406 -0.0306716 -9.68363 HAL2 7716 0 0 0 0.09 7720 7718 H12 SLES 1 -47.4603 -1.13244 -8.35185 HAL2 7716 0 0 0 0.09 7721 7719 C2 SLES 1 -46.4116 0.688909 -7.6631 CTL2 7716 7720 7721 7722 -0.18 7722 7720 H21 SLES 1 -46.2243 1.75006 -7.95551 HAL2 7719 0 0 0 0.09 7723 7721 H22 SLES 1 -46.7713 0.661981 -6.60563 HAL2 7719 0 0 0 0.09 7724 7722 C3 SLES 1 -45.1505 -0.0705721 -7.75838 CTL2 7719 7723 7724 7725 -0.18 7725 7723 H31 SLES 1 -44.8539 -0.00200562 -8.84036 HAL2 7722 0 0 0 0.09 7726 7724 H32 SLES 1 -45.421 -1.1202 -7.45688 HAL2 7722 0 0 0 0.09 7727 7725 C4 SLES 1 -43.9515 0.312422 -6.95293 CTL2 7722 7726 7727 7728 -0.18 7728 7726 H41 SLES 1 -43.6122 1.34952 -7.19588 HAL2 7725 0 0 0 0.09 7729 7727 H42 SLES 1 -44.1645 0.266707 -5.85912 HAL2 7725 0 0 0 0.09 7730 7728 C5 SLES 1 -43.0004 -0.785032 -7.44899 CTL2 7725 7729 7730 7731 -0.18 7731 7729 H51 SLES 1 -42.8853 -0.731426 -8.56429 HAL2 7728 0 0 0 0.09 7732 7730 H52 SLES 1 -43.4303 -1.8004 -7.2426 HAL2 7728 0 0 0 0.09 7733 7731 C6 SLES 1 -41.6418 -0.792326 -6.89454 CTL2 7728 7732 7733 7734 -0.18 7734 7732 H61 SLES 1 -40.9436 -0.739757 -7.77357 HAL2 7731 0 0 0 0.09 7735 7733 H62 SLES 1 -41.4901 -1.81162 -6.44805 HAL2 7731 0 0 0 0.09 7736 7734 C7 SLES 1 -41.3044 0.29928 -5.87173 CTL2 7731 7735 7736 7737 -0.18 7737 7735 H71 SLES 1 -41.3591 1.33595 -6.2803 HAL2 7734 0 0 0 0.09 7738 7736 H72 SLES 1 -41.9122 0.250531 -4.93847 HAL2 7734 0 0 0 0.09 7739 7737 C8 SLES 1 -39.8932 -0.0712677 -5.59119 CTL2 7734 7738 7739 7740 -0.18 7740 7738 H81 SLES 1 -39.3505 -0.0213796 -6.57661 HAL2 7737 0 0 0 0.09 7741 7739 H82 SLES 1 -39.916 -1.13052 -5.20661 HAL2 7737 0 0 0 0.09 7742 7740 C9 SLES 1 -39.085 0.716524 -4.62011 CTL2 7737 7741 7742 7743 -0.18 7743 7741 H91 SLES 1 -39.0033 1.77424 -4.95661 HAL2 7740 0 0 0 0.09 7744 7742 H92 SLES 1 -39.5576 0.685989 -3.61268 HAL2 7740 0 0 0 0.09 7745 7743 C10 SLES 1 -37.7614 -0.0423176 -4.68836 CTL2 7740 7744 7745 7746 -0.18 7746 7744 H10 SLES 1 -37.3732 -0.0391775 -5.74268 HAL2 7743 0 0 0 0.09 7747 7745 H10 SLES 1 -37.9235 -1.11881 -4.40851 HAL2 7743 0 0 0 0.09 7748 7746 C11 SLES 1 -36.6787 0.492708 -3.80855 CTL2 7743 7747 7748 7749 -0.18 7749 7747 H11 SLES 1 -36.5054 1.55386 -4.1035 HAL2 7746 0 0 0 0.09 7750 7748 H11 SLES 1 -37.0593 0.468091 -2.76118 HAL2 7746 0 0 0 0.09 7751 7749 C12 SLES 1 -35.4189 -0.360704 -3.9802 CTL3 7746 7750 7751 7752 -0.27 7752 7750 H12 SLES 1 -34.5889 0.261463 -4.36777 HAL3 7749 0 0 0 0.09 7753 7751 H12 SLES 1 -35.1461 -0.832578 -3.01617 HAL3 7749 0 0 0 0.09 7754 7752 H12 SLES 1 -35.5641 -1.19245 -4.71268 HAL3 7749 0 0 0 0.09 7755 7753 NA SLES 1 -55.6273 -13.5965 -10.9446 NA 0 0 0 0 1 7756 7754 S SLES 1 -53.4206 -14.7903 -12.6417 SL 7755 7756 7757 7758 1.33 7757 7755 OS1 SLES 1 -52.7215 -14.0867 -11.5529 OSL 7754 7759 0 0 -0.28 7758 7756 OS2 SLES 1 -54.0992 -13.574 -13.0301 O2L 7754 0 0 0 -0.65 7759 7757 OS3 SLES 1 -54.1338 -15.6131 -11.6921 O2L 7754 0 0 0 -0.65 7760 7758 OS4 SLES 1 -52.4085 -15.3601 -13.4859 O2L 7754 0 0 0 -0.65 7761 7759 C2 SLES 1 -51.3705 -14.0089 -11.3295 CC32A 7755 7760 7761 7762 -0.11 7762 7760 H2A SLES 1 -50.8514 -13.5233 -12.1977 HCA2 7759 0 0 0 0.09 7763 7761 H2B SLES 1 -50.9347 -15.0272 -11.1487 HCA2 7759 0 0 0 0.09 7764 7762 C1 SLES 1 -51.3027 -13.1271 -10.064 CC32A 7759 7763 7764 7765 -0.01 7765 7763 H1B SLES 1 -51.7701 -12.1251 -10.2482 HCA2 7762 0 0 0 0.09 7766 7764 H1A SLES 1 -51.8308 -13.6167 -9.20923 HCA2 7762 0 0 0 0.09 7767 7765 O1 SLES 1 -50.0562 -12.8176 -9.53074 OC30A 7762 7766 0 0 -0.34 7768 7766 C2 SLES 1 -48.9077 -13.314 -10.1936 CC32A 7765 7767 7768 7769 -0.01 7769 7767 H2A SLES 1 -48.8705 -12.9336 -11.2545 HCA2 7766 0 0 0 0.09 7770 7768 H2B SLES 1 -48.9052 -14.4289 -10.2188 HCA2 7766 0 0 0 0.09 7771 7769 C1 SLES 1 -48.0588 -12.4623 -9.18131 CC32A 7766 7770 7771 7772 -0.01 7772 7770 H1B SLES 1 -47.6338 -11.8853 -10.0132 HCA2 7769 0 0 0 0.09 7773 7771 H1A SLES 1 -47.7308 -13.5172 -8.86206 HCA2 7769 0 0 0 0.09 7774 7772 O1 SLES 1 -47.0586 -12.1235 -8.25574 OC30A 7769 7773 0 0 -0.34 7775 7773 C1 SLES 1 -45.7023 -12.2958 -8.64131 CTL2 7772 7774 7775 7776 -0.18 7776 7774 H11 SLES 1 -45.4217 -11.8944 -9.65489 HAL2 7773 0 0 0 0.09 7777 7775 H12 SLES 1 -45.4291 -13.3811 -8.63156 HAL2 7773 0 0 0 0.09 7778 7776 C2 SLES 1 -45.0271 -11.515 -7.51469 CTL2 7773 7777 7778 7779 -0.18 7779 7777 H21 SLES 1 -45.2401 -10.4193 -7.5426 HAL2 7776 0 0 0 0.09 7780 7778 H22 SLES 1 -45.2765 -11.9074 -6.49875 HAL2 7776 0 0 0 0.09 7781 7779 C3 SLES 1 -43.5918 -11.737 -7.77361 CTL2 7776 7780 7781 7782 -0.18 7782 7780 H31 SLES 1 -43.4176 -11.3235 -8.80416 HAL2 7779 0 0 0 0.09 7783 7781 H32 SLES 1 -43.4599 -12.8536 -7.73512 HAL2 7779 0 0 0 0.09 7784 7782 C4 SLES 1 -42.5434 -11.1495 -6.88557 CTL2 7779 7783 7784 7785 -0.18 7785 7783 H41 SLES 1 -42.6023 -10.0333 -6.86938 HAL2 7782 0 0 0 0.09 7786 7784 H42 SLES 1 -42.6464 -11.5154 -5.83706 HAL2 7782 0 0 0 0.09 7787 7785 C5 SLES 1 -41.3107 -11.6964 -7.61816 CTL2 7782 7786 7787 7788 -0.18 7788 7786 H51 SLES 1 -41.3036 -11.3529 -8.68682 HAL2 7785 0 0 0 0.09 7789 7787 H52 SLES 1 -41.3468 -12.8166 -7.66575 HAL2 7785 0 0 0 0.09 7790 7788 C6 SLES 1 -39.9965 -11.3495 -7.06521 CTL2 7785 7789 7790 7791 -0.18 7791 7789 H61 SLES 1 -39.4262 -10.8549 -7.89769 HAL2 7788 0 0 0 0.09 7792 7790 H62 SLES 1 -39.4694 -12.3225 -6.87361 HAL2 7788 0 0 0 0.09 7793 7791 C7 SLES 1 -39.983 -10.4728 -5.80706 CTL2 7788 7792 7793 7794 -0.18 7794 7792 H71 SLES 1 -40.4226 -9.45841 -5.95652 HAL2 7791 0 0 0 0.09 7795 7793 H72 SLES 1 -40.4661 -10.9444 -4.91993 HAL2 7791 0 0 0 0.09 7796 7794 C8 SLES 1 -38.5142 -10.3746 -5.60628 CTL2 7791 7795 7796 7797 -0.18 7797 7795 H81 SLES 1 -38.0961 -9.91306 -6.54458 HAL2 7794 0 0 0 0.09 7798 7796 H82 SLES 1 -38.1411 -11.4314 -5.48645 HAL2 7794 0 0 0 0.09 7799 7797 C9 SLES 1 -37.9591 -9.59554 -4.46534 CTL2 7794 7798 7799 7800 -0.18 7800 7798 H91 SLES 1 -38.273 -8.53025 -4.53815 HAL2 7797 0 0 0 0.09 7801 7799 H92 SLES 1 -38.3165 -10.0197 -3.5002 HAL2 7797 0 0 0 0.09 7802 7800 C10 SLES 1 -36.4635 -9.80103 -4.69711 CTL2 7797 7801 7802 7803 -0.18 7803 7801 H10 SLES 1 -36.179 -9.42086 -5.71533 HAL2 7800 0 0 0 0.09 7804 7802 H10 SLES 1 -36.2225 -10.8989 -4.68476 HAL2 7800 0 0 0 0.09 7805 7803 C11 SLES 1 -35.5709 -9.13362 -3.70191 CTL2 7800 7804 7805 7806 -0.18 7806 7804 H11 SLES 1 -35.7974 -8.04236 -3.73245 HAL2 7803 0 0 0 0.09 7807 7805 H11 SLES 1 -35.8415 -9.52904 -2.69547 HAL2 7803 0 0 0 0.09 7808 7806 C12 SLES 1 -34.1101 -9.42392 -4.05746 CTL3 7803 7807 7808 7809 -0.27 7809 7807 H12 SLES 1 -33.5772 -8.47793 -4.27498 HAL3 7806 0 0 0 0.09 7810 7808 H12 SLES 1 -33.6209 -9.97538 -3.23101 HAL3 7806 0 0 0 0.09 7811 7809 H12 SLES 1 -34.0122 -10.063 -4.96927 HAL3 7806 0 0 0 0.09 7812 7810 NA SLES 1 -50.0696 -27.9863 -10.6938 NA 0 0 0 0 1 7813 7811 S SLES 1 -47.8295 -27.939 -12.7318 SL 7812 7813 7814 7815 1.33 7814 7812 OS1 SLES 1 -47.2751 -27.2654 -11.5451 OSL 7811 7816 0 0 -0.28 7815 7813 OS2 SLES 1 -48.9247 -26.9968 -12.7901 O2L 7811 0 0 0 -0.65 7816 7814 OS3 SLES 1 -48.0914 -29.1362 -11.9666 O2L 7811 0 0 0 -0.65 7817 7815 OS4 SLES 1 -46.8029 -27.9243 -13.7357 O2L 7811 0 0 0 -0.65 7818 7816 C2 SLES 1 -46.0138 -26.7534 -11.3779 CC32A 7812 7817 7818 7819 -0.11 7819 7817 H2A SLES 1 -45.8077 -25.9497 -12.1333 HCA2 7816 0 0 0 0.09 7820 7818 H2B SLES 1 -45.2389 -27.5608 -11.4626 HCA2 7816 0 0 0 0.09 7821 7819 C1 SLES 1 -46.0852 -26.18 -9.94625 CC32A 7816 7820 7821 7822 -0.01 7822 7820 H1B SLES 1 -46.8844 -25.3982 -9.86707 HCA2 7819 0 0 0 0.09 7823 7821 H1A SLES 1 -46.3 -26.9879 -9.20438 HCA2 7819 0 0 0 0.09 7824 7822 O1 SLES 1 -44.9594 -25.5568 -9.41865 OC30A 7819 7823 0 0 -0.34 7825 7823 C2 SLES 1 -43.8072 -25.4628 -10.2362 CC32A 7822 7824 7825 7826 -0.01 7826 7824 H2A SLES 1 -44.0394 -24.8895 -11.179 HCA2 7823 0 0 0 0.09 7827 7825 H2B SLES 1 -43.43 -26.4726 -10.5218 HCA2 7823 0 0 0 0.09 7828 7826 C1 SLES 1 -43.1735 -24.5849 -9.0966 CC32A 7823 7827 7828 7829 -0.01 7829 7827 H1B SLES 1 -43.0814 -23.739 -9.79063 HCA2 7826 0 0 0 0.09 7830 7828 H1A SLES 1 -42.4687 -25.4923 -9.05005 HCA2 7826 0 0 0 0.09 7831 7829 O1 SLES 1 -42.2362 -24.1024 -8.16889 OC30A 7826 7830 0 0 -0.34 7832 7830 C1 SLES 1 -40.9642 -23.6941 -8.65175 CTL2 7829 7831 7832 7833 -0.18 7833 7831 H11 SLES 1 -40.9707 -23.0236 -9.55597 HAL2 7830 0 0 0 0.09 7834 7832 H12 SLES 1 -40.3403 -24.5866 -8.91005 HAL2 7830 0 0 0 0.09 7835 7833 C2 SLES 1 -40.4535 -22.9663 -7.40904 CTL2 7830 7834 7835 7836 -0.18 7836 7834 H21 SLES 1 -41.0272 -22.039 -7.16896 HAL2 7833 0 0 0 0.09 7837 7835 H22 SLES 1 -40.4207 -23.6178 -6.50198 HAL2 7833 0 0 0 0.09 7838 7836 C3 SLES 1 -39.0746 -22.6002 -7.78453 CTL2 7833 7837 7838 7839 -0.18 7839 7837 H31 SLES 1 -39.1865 -21.9536 -8.69706 HAL2 7836 0 0 0 0.09 7840 7838 H32 SLES 1 -38.5679 -23.5779 -8.01518 HAL2 7836 0 0 0 0.09 7841 7839 C4 SLES 1 -38.1815 -21.8663 -6.83747 CTL2 7836 7840 7841 7842 -0.18 7842 7840 H41 SLES 1 -38.6129 -20.8737 -6.55749 HAL2 7839 0 0 0 0.09 7843 7841 H42 SLES 1 -38.0171 -22.4476 -5.89995 HAL2 7839 0 0 0 0.09 7844 7842 C5 SLES 1 -36.9429 -21.7739 -7.73871 CTL2 7839 7843 7844 7845 -0.18 7845 7843 H51 SLES 1 -37.1916 -21.2435 -8.69625 HAL2 7842 0 0 0 0.09 7846 7844 H52 SLES 1 -36.6027 -22.7979 -8.04533 HAL2 7842 0 0 0 0.09 7847 7845 C6 SLES 1 -35.7642 -21.0962 -7.18668 CTL2 7842 7846 7847 7848 -0.18 7848 7846 H61 SLES 1 -35.5088 -20.2731 -7.90783 HAL2 7845 0 0 0 0.09 7849 7847 H62 SLES 1 -34.9182 -21.8317 -7.25492 HAL2 7845 0 0 0 0.09 7850 7848 C7 SLES 1 -35.8854 -20.5456 -5.7606 CTL2 7845 7849 7850 7851 -0.18 7851 7849 H71 SLES 1 -36.6584 -19.7494 -5.64616 HAL2 7848 0 0 0 0.09 7852 7850 H72 SLES 1 -36.0602 -21.3274 -4.98537 HAL2 7848 0 0 0 0.09 7853 7851 C8 SLES 1 -34.5241 -19.9681 -5.61646 CTL2 7848 7852 7853 7854 -0.18 7854 7852 H81 SLES 1 -34.4131 -19.2086 -6.44044 HAL2 7851 0 0 0 0.09 7855 7853 H82 SLES 1 -33.8025 -20.8209 -5.76625 HAL2 7851 0 0 0 0.09 7856 7854 C9 SLES 1 -34.1227 -19.288 -4.35424 CTL2 7851 7855 7856 7857 -0.18 7857 7855 H91 SLES 1 -34.786 -18.4156 -4.15979 HAL2 7854 0 0 0 0.09 7858 7856 H92 SLES 1 -34.1865 -19.9971 -3.4985 HAL2 7854 0 0 0 0.09 7859 7857 C10 SLES 1 -32.6898 -18.8906 -4.70252 CTL2 7854 7858 7859 7860 -0.18 7860 7858 H10 SLES 1 -32.686 -18.2372 -5.61644 HAL2 7857 0 0 0 0.09 7861 7859 H10 SLES 1 -32.0913 -19.8067 -4.95963 HAL2 7857 0 0 0 0.09 7862 7860 C11 SLES 1 -31.9551 -18.1616 -3.62489 CTL2 7857 7861 7862 7863 -0.18 7863 7861 H11 SLES 1 -32.5402 -17.2426 -3.38771 HAL2 7860 0 0 0 0.09 7864 7862 H11 SLES 1 -31.9423 -18.8215 -2.72669 HAL2 7860 0 0 0 0.09 7865 7863 C12 SLES 1 -30.5418 -17.8291 -4.11147 CTL3 7860 7864 7865 7866 -0.27 7866 7864 H12 SLES 1 -30.3945 -16.7317 -4.12799 HAL3 7863 0 0 0 0.09 7867 7865 H12 SLES 1 -29.7915 -18.3217 -3.46273 HAL3 7863 0 0 0 0.09 7868 7866 H12 SLES 1 -30.3524 -18.1929 -5.15128 HAL3 7863 0 0 0 0.09 7869 7867 NA SLES 1 -40.7904 -40.3981 -10.563 NA 0 0 0 0 1 7870 7868 S SLES 1 -39.0956 -39.2132 -12.7761 SL 7869 7870 7871 7872 1.33 7871 7869 OS1 SLES 1 -38.5979 -38.5841 -11.5409 OSL 7868 7873 0 0 -0.28 7872 7870 OS2 SLES 1 -40.4353 -38.7373 -12.5124 O2L 7868 0 0 0 -0.65 7873 7871 OS3 SLES 1 -38.8006 -40.5298 -12.2597 O2L 7868 0 0 0 -0.65 7874 7872 OS4 SLES 1 -38.3291 -38.6654 -13.8597 O2L 7868 0 0 0 -0.65 7875 7873 C2 SLES 1 -37.573 -37.6826 -11.4071 CC32A 7869 7874 7875 7876 -0.11 7876 7874 H2A SLES 1 -37.786 -36.7488 -11.9917 HCA2 7873 0 0 0 0.09 7877 7875 H2B SLES 1 -36.6003 -38.1282 -11.746 HCA2 7873 0 0 0 0.09 7878 7876 C1 SLES 1 -37.577 -37.4123 -9.88707 CC32A 7873 7877 7878 7879 -0.01 7879 7877 H1B SLES 1 -38.5647 -36.9981 -9.55637 HCA2 7876 0 0 0 0.09 7880 7878 H1A SLES 1 -37.3731 -38.3509 -9.3155 HCA2 7876 0 0 0 0.09 7881 7879 O1 SLES 1 -36.6508 -36.5159 -9.36486 OC30A 7876 7880 0 0 -0.34 7882 7880 C2 SLES 1 -35.7615 -35.8795 -10.2643 CC32A 7879 7881 7882 7883 -0.01 7883 7881 H2A SLES 1 -36.3361 -35.2864 -11.0322 HCA2 7880 0 0 0 0.09 7884 7882 H2B SLES 1 -35.1246 -36.6233 -10.7979 HCA2 7880 0 0 0 0.09 7885 7883 C1 SLES 1 -35.2673 -35.0266 -9.03993 CC32A 7880 7884 7885 7886 -0.01 7886 7884 H1B SLES 1 -35.589 -34.1054 -9.54358 HCA2 7883 0 0 0 0.09 7887 7885 H1A SLES 1 -34.3026 -35.6105 -9.26503 HCA2 7883 0 0 0 0.09 7888 7886 O1 SLES 1 -34.3972 -34.3921 -8.13868 OC30A 7883 7887 0 0 -0.34 7889 7887 C1 SLES 1 -33.443 -33.4775 -8.65929 CTL2 7886 7888 7889 7890 -0.18 7890 7888 H11 SLES 1 -33.8345 -32.7194 -9.39361 HAL2 7887 0 0 0 0.09 7891 7889 H12 SLES 1 -32.6124 -34.0283 -9.16836 HAL2 7887 0 0 0 0.09 7892 7890 C2 SLES 1 -32.9939 -32.8235 -7.35336 CTL2 7887 7891 7892 7893 -0.18 7893 7891 H21 SLES 1 -33.7931 -32.2197 -6.86003 HAL2 7890 0 0 0 0.09 7894 7892 H22 SLES 1 -32.584 -33.5551 -6.61509 HAL2 7890 0 0 0 0.09 7895 7893 C3 SLES 1 -31.9076 -31.9261 -7.79038 CTL2 7890 7894 7895 7896 -0.18 7896 7894 H31 SLES 1 -32.3901 -31.2268 -8.52635 HAL2 7893 0 0 0 0.09 7897 7895 H32 SLES 1 -31.152 -32.6021 -8.27796 HAL2 7893 0 0 0 0.09 7898 7896 C4 SLES 1 -31.1593 -31.0801 -6.81193 CTL2 7893 7897 7898 7899 -0.18 7899 7897 H41 SLES 1 -31.8416 -30.371 -6.28148 HAL2 7896 0 0 0 0.09 7900 7898 H42 SLES 1 -30.6458 -31.7043 -6.04349 HAL2 7896 0 0 0 0.09 7901 7899 C5 SLES 1 -30.2044 -30.4003 -7.80242 CTL2 7896 7900 7901 7902 -0.18 7902 7900 H51 SLES 1 -30.7824 -29.8503 -8.59196 HAL2 7899 0 0 0 0.09 7903 7901 H52 SLES 1 -29.6007 -31.1672 -8.35548 HAL2 7899 0 0 0 0.09 7904 7902 C6 SLES 1 -29.2431 -29.4387 -7.25066 CTL2 7899 7903 7904 7905 -0.18 7905 7903 H61 SLES 1 -29.411 -28.4747 -7.8033 HAL2 7902 0 0 0 0.09 7906 7904 H62 SLES 1 -28.2259 -29.7952 -7.56598 HAL2 7902 0 0 0 0.09 7907 7905 C7 SLES 1 -29.2867 -29.2065 -5.7355 CTL2 7902 7906 7907 7908 -0.18 7908 7906 H71 SLES 1 -30.2485 -28.7751 -5.37035 HAL2 7905 0 0 0 0.09 7909 7907 H72 SLES 1 -29.0485 -30.1119 -5.13034 HAL2 7905 0 0 0 0.09 7910 7908 C8 SLES 1 -28.1953 -28.2048 -5.62103 CTL2 7905 7909 7910 7911 -0.18 7911 7909 H81 SLES 1 -28.4937 -27.3351 -6.2713 HAL2 7908 0 0 0 0.09 7912 7910 H82 SLES 1 -27.2682 -28.701 -6.02694 HAL2 7908 0 0 0 0.09 7913 7911 C9 SLES 1 -27.8279 -27.6375 -4.29438 CTL2 7908 7912 7913 7914 -0.18 7914 7912 H91 SLES 1 -28.6996 -27.1092 -3.8473 HAL2 7911 0 0 0 0.09 7915 7913 H92 SLES 1 -27.4971 -28.4488 -3.60769 HAL2 7911 0 0 0 0.09 7916 7914 C10 SLES 1 -26.6973 -26.6961 -4.70423 CTL2 7911 7915 7916 7917 -0.18 7917 7915 H10 SLES 1 -27.0752 -25.9483 -5.45272 HAL2 7914 0 0 0 0.09 7918 7916 H10 SLES 1 -25.882 -27.2779 -5.21439 HAL2 7914 0 0 0 0.09 7919 7917 C11 SLES 1 -26.0707 -25.933 -3.58274 CTL2 7914 7918 7919 7920 -0.18 7920 7918 H11 SLES 1 -26.8781 -25.3404 -3.09277 HAL2 7917 0 0 0 0.09 7921 7919 H11 SLES 1 -25.678 -26.6782 -2.8527 HAL2 7917 0 0 0 0.09 7922 7920 C12 SLES 1 -24.961 -25.0361 -4.13854 CTL3 7917 7921 7922 7923 -0.27 7923 7921 H12 SLES 1 -25.1957 -23.9729 -3.93682 HAL3 7920 0 0 0 0.09 7924 7922 H12 SLES 1 -23.9865 -25.3196 -3.69553 HAL3 7920 0 0 0 0.09 7925 7923 H12 SLES 1 -24.8485 -25.1341 -5.2463 HAL3 7920 0 0 0 0.09 7926 7924 NA SLES 1 -28.4779 -49.8493 -10.5611 NA 0 0 0 0 1 7927 7925 S SLES 1 -27.7917 -47.8955 -12.7716 SL 7926 7927 7928 7929 1.33 7928 7926 OS1 SLES 1 -27.2828 -47.2674 -11.5404 OSL 7925 7930 0 0 -0.28 7929 7927 OS2 SLES 1 -29.1244 -47.9709 -12.2159 O2L 7925 0 0 0 -0.65 7930 7928 OS3 SLES 1 -26.9693 -49.0628 -12.5514 O2L 7925 0 0 0 -0.65 7931 7929 OS4 SLES 1 -27.5029 -46.9918 -13.8495 O2L 7925 0 0 0 -0.65 7932 7930 C2 SLES 1 -26.616 -46.0753 -11.415 CC32A 7926 7931 7932 7933 -0.11 7933 7931 H2A SLES 1 -27.2492 -45.2251 -11.7825 HCA2 7930 0 0 0 0.09 7934 7932 H2B SLES 1 -25.6461 -46.0971 -11.9793 HCA2 7930 0 0 0 0.09 7935 7933 C1 SLES 1 -26.3865 -45.9926 -9.89053 CC32A 7930 7934 7935 7936 -0.01 7936 7934 H1B SLES 1 -27.3612 -46.0045 -9.3373 HCA2 7933 0 0 0 0.09 7937 7935 H1A SLES 1 -25.7627 -46.8492 -9.53503 HCA2 7933 0 0 0 0.09 7938 7936 O1 SLES 1 -25.7259 -44.8836 -9.37303 OC30A 7933 7937 0 0 -0.34 7939 7937 C2 SLES 1 -25.3149 -43.8735 -10.2761 CC32A 7936 7938 7939 7940 -0.01 7940 7938 H2A SLES 1 -26.2048 -43.4498 -10.824 HCA2 7937 0 0 0 0.09 7941 7939 H2B SLES 1 -24.5948 -44.2718 -11.0285 HCA2 7937 0 0 0 0.09 7942 7940 C1 SLES 1 -24.8866 -43.0383 -9.01518 CC32A 7937 7941 7942 7943 -0.01 7943 7941 H1B SLES 1 -25.598 -42.248 -9.28894 HCA2 7940 0 0 0 0.09 7944 7942 H1A SLES 1 -23.8534 -43.2033 -9.49235 HCA2 7940 0 0 0 0.09 7945 7943 O1 SLES 1 -24.1088 -42.2334 -8.16718 OC30A 7940 7944 0 0 -0.34 7946 7944 C1 SLES 1 -23.6509 -40.9836 -8.66342 CTL2 7943 7945 7946 7947 -0.18 7947 7945 H11 SLES 1 -24.4209 -40.3443 -9.17888 HAL2 7944 0 0 0 0.09 7948 7946 H12 SLES 1 -22.8124 -41.1357 -9.38887 HAL2 7944 0 0 0 0.09 7949 7947 C2 SLES 1 -23.1798 -40.3577 -7.35142 CTL2 7944 7948 7949 7950 -0.18 7950 7948 H21 SLES 1 -24.0105 -40.1434 -6.63689 HAL2 7947 0 0 0 0.09 7951 7949 H22 SLES 1 -22.4009 -40.9662 -6.83038 HAL2 7947 0 0 0 0.09 7952 7950 C3 SLES 1 -22.5771 -39.085 -7.79077 CTL2 7947 7951 7952 7953 -0.18 7953 7951 H31 SLES 1 -23.4112 -38.533 -8.30368 HAL2 7950 0 0 0 0.09 7954 7952 H32 SLES 1 -21.7608 -39.3825 -8.50556 HAL2 7950 0 0 0 0.09 7955 7953 C4 SLES 1 -21.9656 -38.137 -6.81067 CTL2 7950 7954 7955 7956 -0.18 7956 7954 H41 SLES 1 -22.7165 -37.7868 -6.06017 HAL2 7953 0 0 0 0.09 7957 7955 H42 SLES 1 -21.1212 -38.6117 -6.2579 HAL2 7953 0 0 0 0.09 7958 7956 C5 SLES 1 -21.5284 -37.0529 -7.80497 CTL2 7953 7957 7958 7959 -0.18 7959 7957 H51 SLES 1 -22.4115 -36.668 -8.38104 HAL2 7956 0 0 0 0.09 7960 7958 H52 SLES 1 -20.835 -37.4826 -8.57506 HAL2 7956 0 0 0 0.09 7961 7959 C6 SLES 1 -20.8512 -35.874 -7.25281 CTL2 7956 7960 7961 7962 -0.18 7962 7960 H61 SLES 1 -21.4463 -34.9828 -7.59121 HAL2 7959 0 0 0 0.09 7963 7961 H62 SLES 1 -19.8653 -35.7997 -7.7856 HAL2 7959 0 0 0 0.09 7964 7962 C7 SLES 1 -20.6461 -35.8403 -5.73348 CTL2 7959 7963 7964 7965 -0.18 7965 7963 H71 SLES 1 -21.5957 -35.8307 -5.1479 HAL2 7962 0 0 0 0.09 7966 7964 H72 SLES 1 -19.995 -36.6575 -5.34495 HAL2 7962 0 0 0 0.09 7967 7965 C8 SLES 1 -19.9562 -34.5294 -5.61967 CTL2 7962 7966 7967 7968 -0.18 7968 7966 H81 SLES 1 -20.6602 -33.7623 -6.04868 HAL2 7965 0 0 0 0.09 7969 7967 H82 SLES 1 -19.0255 -34.6073 -6.25076 HAL2 7965 0 0 0 0.09 7970 7968 C9 SLES 1 -19.5266 -34.0158 -4.28984 CTL2 7965 7969 7970 7971 -0.18 7971 7969 H91 SLES 1 -20.4084 -33.8927 -3.622 HAL2 7968 0 0 0 0.09 7972 7970 H92 SLES 1 -18.8046 -34.7211 -3.82033 HAL2 7968 0 0 0 0.09 7973 7971 C10 SLES 1 -18.8921 -32.6891 -4.70212 CTL2 7968 7972 7973 7974 -0.18 7974 7972 H10 SLES 1 -19.6493 -32.053 -5.23535 HAL2 7971 0 0 0 0.09 7975 7973 H10 SLES 1 -18.0576 -32.8754 -5.43167 HAL2 7971 0 0 0 0.09 7976 7974 C11 SLES 1 -18.3341 -31.8778 -3.57832 CTL2 7971 7975 7976 7977 -0.18 7977 7975 H11 SLES 1 -19.1693 -31.6765 -2.86774 HAL2 7974 0 0 0 0.09 7978 7976 H11 SLES 1 -17.5682 -32.5041 -3.06493 HAL2 7974 0 0 0 0.09 7979 7977 C12 SLES 1 -17.7351 -30.5839 -4.13683 CTL3 7974 7978 7979 7980 -0.27 7980 7978 H12 SLES 1 -18.264 -29.7076 -3.71448 HAL3 7977 0 0 0 0.09 7981 7979 H12 SLES 1 -16.6512 -30.5404 -3.91355 HAL3 7977 0 0 0 0.09 7982 7980 H12 SLES 1 -17.835 -30.5128 -5.24786 HAL3 7977 0 0 0 0.09 7983 7981 NA SLES 1 -14.0881 -55.6054 -10.6883 NA 0 0 0 0 1 7984 7982 S SLES 1 -14.643 -53.4272 -12.7185 SL 7983 7984 7985 7986 1.33 7985 7983 OS1 SLES 1 -14.1041 -52.7207 -11.5438 OSL 7982 7987 0 0 -0.28 7986 7984 OS2 SLES 1 -15.7016 -54.0048 -11.9208 O2L 7982 0 0 0 -0.65 7987 7985 OS3 SLES 1 -13.4462 -54.23 -12.8218 O2L 7982 0 0 0 -0.65 7988 7986 OS4 SLES 1 -14.9386 -52.4272 -13.7056 O2L 7982 0 0 0 -0.65 7989 7987 C2 SLES 1 -13.8715 -51.3766 -11.4011 CC32A 7983 7988 7989 7990 -0.11 7990 7988 H2A SLES 1 -14.8228 -50.7937 -11.5201 HCA2 7987 0 0 0 0.09 7991 7989 H2B SLES 1 -13.1125 -51.0196 -12.1469 HCA2 7987 0 0 0 0.09 7992 7990 C1 SLES 1 -13.3336 -51.2936 -9.95639 CC32A 7987 7991 7992 7993 -0.01 7993 7991 H1B SLES 1 -14.0882 -51.683 -9.22481 HCA2 7990 0 0 0 0.09 7994 7992 H1A SLES 1 -12.3915 -51.8852 -9.84799 HCA2 7990 0 0 0 0.09 7995 7993 O1 SLES 1 -12.9866 -50.0487 -9.4426 OC30A 7990 7994 0 0 -0.34 7996 7994 C2 SLES 1 -13.1662 -48.9143 -10.2707 CC32A 7993 7995 7996 7997 -0.01 7997 7995 H2A SLES 1 -14.2489 -48.8121 -10.5687 HCA2 7994 0 0 0 0.09 7998 7996 H2B SLES 1 -12.551 -48.9886 -11.1979 HCA2 7994 0 0 0 0.09 7999 7997 C1 SLES 1 -12.764 -48.0454 -9.02404 CC32A 7994 7998 7999 8000 -0.01 8000 7998 H1B SLES 1 -13.7443 -47.5513 -9.04406 HCA2 7997 0 0 0 0.09 8001 7999 H1A SLES 1 -11.8783 -47.8035 -9.7165 HCA2 7997 0 0 0 0.09 8002 8000 O1 SLES 1 -12.1298 -47.0583 -8.25244 OC30A 7997 8001 0 0 -0.34 8003 8001 C1 SLES 1 -12.2526 -45.7042 -8.66385 CTL2 8000 8002 8003 8004 -0.18 8004 8002 H11 SLES 1 -13.2917 -45.3597 -8.9264 HAL2 8001 0 0 0 0.09 8005 8003 H12 SLES 1 -11.6069 -45.5078 -9.55655 HAL2 8001 0 0 0 0.09 8006 8004 C2 SLES 1 -11.7285 -45.0176 -7.40337 CTL2 8001 8005 8006 8007 -0.18 8007 8005 H21 SLES 1 -12.3909 -45.1526 -6.51473 HAL2 8004 0 0 0 0.09 8008 8006 H22 SLES 1 -10.6905 -45.3305 -7.13318 HAL2 8004 0 0 0 0.09 8009 8007 C3 SLES 1 -11.7139 -43.5928 -7.78567 CTL2 8004 8008 8009 8010 -0.18 8010 8008 H31 SLES 1 -12.7811 -43.3529 -8.04422 HAL2 8007 0 0 0 0.09 8011 8009 H32 SLES 1 -11.0365 -43.5405 -8.68247 HAL2 8007 0 0 0 0.09 8012 8010 C4 SLES 1 -11.2488 -42.5389 -6.8338 CTL2 8007 8011 8012 8013 -0.18 8013 8011 H41 SLES 1 -11.8761 -42.5205 -5.90862 HAL2 8010 0 0 0 0.09 8014 8012 H42 SLES 1 -10.1891 -42.7052 -6.52858 HAL2 8010 0 0 0 0.09 8015 8013 C5 SLES 1 -11.4508 -41.3216 -7.74616 CTL2 8010 8014 8015 8016 -0.18 8016 8014 H51 SLES 1 -12.5209 -41.2517 -8.07787 HAL2 8013 0 0 0 0.09 8017 8015 H52 SLES 1 -10.8537 -41.4339 -8.68911 HAL2 8013 0 0 0 0.09 8018 8016 C6 SLES 1 -11.1044 -40.0074 -7.19296 CTL2 8013 8017 8018 8019 -0.18 8019 8017 H61 SLES 1 -12.0281 -39.3741 -7.28602 HAL2 8016 0 0 0 0.09 8020 8018 H62 SLES 1 -10.3561 -39.5567 -7.89881 HAL2 8016 0 0 0 0.09 8021 8019 C7 SLES 1 -10.5733 -39.9786 -5.75467 CTL2 8016 8020 8021 8022 -0.18 8022 8020 H71 SLES 1 -11.3047 -40.3406 -4.99397 HAL2 8019 0 0 0 0.09 8023 8021 H72 SLES 1 -9.61196 -40.5253 -5.61459 HAL2 8019 0 0 0 0.09 8024 8022 C8 SLES 1 -10.3627 -38.5147 -5.61248 CTL2 8019 8023 8024 8025 -0.18 8025 8023 H81 SLES 1 -11.3647 -38.0317 -5.78774 HAL2 8022 0 0 0 0.09 8026 8024 H82 SLES 1 -9.63605 -38.2208 -6.42245 HAL2 8022 0 0 0 0.09 8027 8025 C9 SLES 1 -9.83416 -37.9485 -4.34093 CTL2 8022 8026 8027 8028 -0.18 8028 8026 H91 SLES 1 -10.523 -38.1845 -3.49922 HAL2 8025 0 0 0 0.09 8029 8027 H92 SLES 1 -8.82718 -38.3694 -4.12193 HAL2 8025 0 0 0 0.09 8030 8028 C10 SLES 1 -9.80252 -36.4634 -4.69633 CTL2 8025 8029 8030 8031 -0.18 8031 8029 H10 SLES 1 -10.833 -36.1163 -4.97913 HAL2 8028 0 0 0 0.09 8032 8030 H10 SLES 1 -9.14971 -36.3001 -5.59668 HAL2 8028 0 0 0 0.09 8033 8031 C11 SLES 1 -9.30617 -35.5633 -3.61195 CTL2 8028 8032 8033 8034 -0.18 8034 8032 H11 SLES 1 -9.96911 -35.7118 -2.72793 HAL2 8031 0 0 0 0.09 8035 8033 H11 SLES 1 -8.27571 -35.8971 -3.3489 HAL2 8031 0 0 0 0.09 8036 8034 C12 SLES 1 -9.32992 -34.1142 -4.10647 CTL3 8031 8035 8036 8037 -0.27 8037 8035 H12 SLES 1 -10.0102 -33.5092 -3.47614 HAL3 8034 0 0 0 0.09 8038 8036 H12 SLES 1 -8.30489 -33.695 -4.10193 HAL3 8034 0 0 0 0.09 8039 8037 H12 SLES 1 -9.70514 -34.0281 -5.15585 HAL3 8034 0 0 0 0.09 8040 8038 NA SLES 1 1.2519 -57.2544 -10.9359 NA 0 0 0 0 1 8041 8039 S SLES 1 -0.48998 -55.4372 -12.6204 SL 8040 8041 8042 8043 1.33 8042 8040 OS1 SLES 1 0.0356554 -54.5718 -11.5508 OSL 8039 8044 0 0 -0.28 8043 8041 OS2 SLES 1 -1.06018 -56.3418 -11.6472 O2L 8039 0 0 0 -0.65 8044 8042 OS3 SLES 1 0.848698 -55.7667 -13.0524 O2L 8039 0 0 0 -0.65 8045 8043 OS4 SLES 1 -1.34 -54.618 -13.438 O2L 8039 0 0 0 -0.65 8046 8044 C2 SLES 1 -0.183811 -53.2305 -11.3664 CC32A 8040 8045 8046 8047 -0.11 8047 8045 H2A SLES 1 -1.27696 -53.0227 -11.2223 HCA2 8044 0 0 0 0.09 8048 8046 H2B SLES 1 0.203164 -52.6376 -12.2372 HCA2 8044 0 0 0 0.09 8049 8047 C1 SLES 1 0.621073 -52.9455 -10.0802 CC32A 8044 8048 8049 8050 -0.01 8050 8048 H1B SLES 1 0.245908 -53.5675 -9.22655 HCA2 8047 0 0 0 0.09 8051 8049 H1A SLES 1 1.7063 -53.1649 -10.2331 HCA2 8047 0 0 0 0.09 8052 8050 O1 SLES 1 0.6284 -51.6522 -9.56883 OC30A 8047 8051 0 0 -0.34 8053 8051 C2 SLES 1 -0.124691 -50.6644 -10.2485 CC32A 8050 8052 8053 8054 -0.01 8054 8052 H2A SLES 1 -1.21367 -50.9548 -10.2837 HCA2 8051 0 0 0 0.09 8055 8053 H2B SLES 1 0.23748 -50.5278 -11.2943 HCA2 8051 0 0 0 0.09 8056 8054 C1 SLES 1 0.238069 -49.6946 -9.06589 CC32A 8051 8055 8056 8057 -0.01 8057 8055 H1B SLES 1 -0.827066 -49.5788 -8.82563 HCA2 8054 0 0 0 0.09 8058 8056 H1A SLES 1 0.792486 -49.1638 -9.92223 HCA2 8054 0 0 0 0.09 8059 8057 O1 SLES 1 0.656792 -48.5378 -8.38865 OC30A 8054 8058 0 0 -0.34 8060 8058 C1 SLES 1 -0.0211082 -47.3195 -8.66055 CTL2 8057 8059 8060 8061 -0.18 8061 8059 H11 SLES 1 -1.1458 -47.3673 -8.65338 HAL2 8058 0 0 0 0.09 8062 8060 H12 SLES 1 0.28348 -46.9184 -9.65999 HAL2 8058 0 0 0 0.09 8063 8061 C2 SLES 1 0.518503 -46.4768 -7.50567 CTL2 8058 8062 8063 8064 -0.18 8064 8062 H21 SLES 1 0.176663 -46.8264 -6.50188 HAL2 8061 0 0 0 0.09 8065 8063 H22 SLES 1 1.63312 -46.3997 -7.50285 HAL2 8061 0 0 0 0.09 8066 8064 C3 SLES 1 -0.0521241 -45.1435 -7.77542 CTL2 8061 8065 8066 8067 -0.18 8067 8065 H31 SLES 1 -1.16526 -45.299 -7.76565 HAL2 8064 0 0 0 0.09 8068 8066 H32 SLES 1 0.329941 -44.8661 -8.79663 HAL2 8064 0 0 0 0.09 8069 8067 C4 SLES 1 0.233177 -43.9819 -6.87972 CTL2 8064 8068 8069 8070 -0.18 8070 8068 H41 SLES 1 -0.121143 -44.175 -5.83717 HAL2 8067 0 0 0 0.09 8071 8069 H42 SLES 1 1.32523 -43.7594 -6.83707 HAL2 8067 0 0 0 0.09 8072 8070 C5 SLES 1 -0.589096 -42.9254 -7.63001 CTL2 8067 8071 8072 8073 -0.18 8073 8071 H51 SLES 1 -1.66356 -43.242 -7.70311 HAL2 8070 0 0 0 0.09 8074 8072 H52 SLES 1 -0.233893 -42.8309 -8.68986 HAL2 8070 0 0 0 0.09 8075 8073 C6 SLES 1 -0.596769 -41.567 -7.07521 CTL2 8070 8074 8075 8076 -0.18 8076 8074 H61 SLES 1 -1.67606 -41.302 -6.90854 HAL2 8073 0 0 0 0.09 8077 8075 H62 SLES 1 -0.242321 -40.8896 -7.89789 HAL2 8073 0 0 0 0.09 8078 8076 C7 SLES 1 0.219079 -41.3351 -5.79763 CTL2 8073 8077 8078 8079 -0.18 8079 8077 H71 SLES 1 -0.137471 -41.923 -4.91904 HAL2 8076 0 0 0 0.09 8080 8078 H72 SLES 1 1.31388 -41.5053 -5.92088 HAL2 8076 0 0 0 0.09 8081 8079 C8 SLES 1 -0.0617829 -39.8896 -5.59995 CTL2 8076 8080 8081 8082 -0.18 8082 8080 H81 SLES 1 -1.1799 -39.7938 -5.50628 HAL2 8079 0 0 0 0.09 8083 8081 H82 SLES 1 0.302254 -39.3677 -6.53032 HAL2 8079 0 0 0 0.09 8084 8082 C9 SLES 1 0.526095 -39.1579 -4.44417 CTL2 8079 8083 8084 8085 -0.18 8085 8083 H91 SLES 1 0.183926 -39.6119 -3.48735 HAL2 8082 0 0 0 0.09 8086 8084 H92 SLES 1 1.63769 -39.1934 -4.49194 HAL2 8082 0 0 0 0.09 8087 8085 C10 SLES 1 -0.0435056 -37.7618 -4.68726 CTL2 8082 8086 8087 8088 -0.18 8088 8086 H10 SLES 1 -1.1661 -37.8045 -4.70153 HAL2 8085 0 0 0 0.09 8089 8087 H10 SLES 1 0.277096 -37.3893 -5.69816 HAL2 8085 0 0 0 0.09 8090 8088 C11 SLES 1 0.355008 -36.7314 -3.68133 CTL2 8085 8089 8090 8091 -0.18 8091 8089 H11 SLES 1 0.0162057 -37.0938 -2.68289 HAL2 8088 0 0 0 0.09 8092 8090 H11 SLES 1 1.46831 -36.6765 -3.68526 HAL2 8088 0 0 0 0.09 8093 8091 C12 SLES 1 -0.285688 -35.3902 -4.04951 CTL3 8088 8092 8093 8094 -0.27 8094 8092 H12 SLES 1 -0.961353 -35.0569 -3.23803 HAL3 8091 0 0 0 0.09 8095 8093 H12 SLES 1 0.500563 -34.6359 -4.24783 HAL3 8091 0 0 0 0.09 8096 8094 H12 SLES 1 -0.906853 -35.4548 -4.97655 HAL3 8091 0 0 0 0.09 8097 8095 NA SLES 1 16.36 -54.74 -11.287 NA 0 0 0 0 1 8098 8096 S SLES 1 13.7538 -53.7659 -12.4842 SL 8097 8098 8099 8100 1.33 8099 8097 OS1 SLES 1 14.1688 -52.6961 -11.5609 OSL 8096 8101 0 0 -0.28 8100 8098 OS2 SLES 1 13.7776 -54.7377 -11.4138 O2L 8096 0 0 0 -0.65 8101 8099 OS3 SLES 1 14.9864 -53.6432 -13.2277 O2L 8096 0 0 0 -0.65 8102 8100 OS4 SLES 1 12.5069 -53.3536 -13.0648 O2L 8096 0 0 0 -0.65 8103 8101 C2 SLES 1 13.5379 -51.5037 -11.3132 CC32A 8097 8102 8103 8104 -0.11 8104 8102 H2A SLES 1 12.5055 -51.6765 -10.9094 HCA2 8101 0 0 0 0.09 8105 8103 H2B SLES 1 13.4812 -50.8792 -12.244 HCA2 8101 0 0 0 0.09 8106 8104 C1 SLES 1 14.4607 -50.8642 -10.2534 CC32A 8101 8105 8106 8107 -0.01 8107 8105 H1B SLES 1 14.5344 -51.513 -9.34241 HCA2 8104 0 0 0 0.09 8108 8106 H1A SLES 1 15.488 -50.7055 -10.664 HCA2 8104 0 0 0 0.09 8109 8107 O1 SLES 1 14.127 -49.6142 -9.74313 OC30A 8104 8108 0 0 -0.34 8110 8108 C2 SLES 1 12.9399 -49.0005 -10.2111 CC32A 8107 8109 8110 8111 -0.01 8111 8109 H2A SLES 1 12.0464 -49.6512 -9.98832 HCA2 8108 0 0 0 0.09 8112 8110 H2B SLES 1 12.982 -48.8244 -11.3114 HCA2 8108 0 0 0 0.09 8113 8111 C1 SLES 1 13.196 -47.8809 -9.13789 CC32A 8108 8112 8113 8114 -0.01 8114 8112 H1B SLES 1 12.2434 -48.1231 -8.64853 HCA2 8111 0 0 0 0.09 8115 8113 H1A SLES 1 13.3165 -47.2557 -10.0955 HCA2 8111 0 0 0 0.09 8116 8114 O1 SLES 1 13.3217 -46.6042 -8.56654 OC30A 8111 8115 0 0 -0.34 8117 8115 C1 SLES 1 12.2143 -45.7188 -8.65375 CTL2 8114 8116 8117 8118 -0.18 8118 8116 H11 SLES 1 11.2123 -46.1518 -8.37843 HAL2 8115 0 0 0 0.09 8119 8117 H12 SLES 1 12.1213 -45.3118 -9.69212 HAL2 8115 0 0 0 0.09 8120 8118 C2 SLES 1 12.6695 -44.6591 -7.65134 CTL2 8115 8119 8120 8121 -0.18 8121 8119 H21 SLES 1 12.7115 -45.0305 -6.59922 HAL2 8118 0 0 0 0.09 8122 8120 H22 SLES 1 13.6542 -44.2014 -7.91419 HAL2 8118 0 0 0 0.09 8123 8121 C3 SLES 1 11.6193 -43.6289 -7.76074 CTL2 8118 8122 8123 8124 -0.18 8124 8122 H31 SLES 1 10.6664 -44.1585 -7.48695 HAL2 8121 0 0 0 0.09 8125 8123 H32 SLES 1 11.6353 -43.3124 -8.84026 HAL2 8121 0 0 0 0.09 8126 8124 C4 SLES 1 11.672 -42.3777 -6.94531 CTL2 8121 8125 8126 8127 -0.18 8127 8125 H41 SLES 1 11.6562 -42.6042 -5.85068 HAL2 8124 0 0 0 0.09 8128 8126 H42 SLES 1 12.594 -41.789 -7.16235 HAL2 8124 0 0 0 0.09 8129 8127 C5 SLES 1 10.3818 -41.7289 -7.46443 CTL2 8124 8128 8129 8130 -0.18 8130 8128 H51 SLES 1 9.50199 -42.4018 -7.2823 HAL2 8127 0 0 0 0.09 8131 8129 H52 SLES 1 10.4292 -41.5956 -8.57726 HAL2 8127 0 0 0 0.09 8132 8130 C6 SLES 1 10.0214 -40.4199 -6.90757 CTL2 8127 8131 8132 8133 -0.18 8133 8131 H61 SLES 1 8.98647 -40.5329 -6.48447 HAL2 8130 0 0 0 0.09 8134 8132 H62 SLES 1 9.91633 -39.7242 -7.78292 HAL2 8130 0 0 0 0.09 8135 8133 C7 SLES 1 10.9709 -39.8271 -5.85944 CTL2 8130 8134 8135 8136 -0.18 8136 8134 H71 SLES 1 11.0552 -40.4357 -4.92822 HAL2 8133 0 0 0 0.09 8137 8135 H72 SLES 1 11.9963 -39.6169 -6.24294 HAL2 8133 0 0 0 0.09 8138 8136 C8 SLES 1 10.2505 -38.5574 -5.58293 CTL2 8133 8137 8138 8139 -0.18 8139 8137 H81 SLES 1 9.22351 -38.8474 -5.22347 HAL2 8136 0 0 0 0.09 8140 8138 H82 SLES 1 10.1846 -38.0118 -6.567 HAL2 8136 0 0 0 0.09 8141 8139 C9 SLES 1 10.7889 -37.5848 -4.59253 CTL2 8136 8140 8141 8142 -0.18 8142 8140 H91 SLES 1 10.8568 -38.0574 -3.58718 HAL2 8139 0 0 0 0.09 8143 8141 H92 SLES 1 11.7992 -37.2372 -4.90513 HAL2 8139 0 0 0 0.09 8144 8142 C10 SLES 1 9.72356 -36.4935 -4.67553 CTL2 8139 8143 8144 8145 -0.18 8145 8143 H10 SLES 1 8.71676 -36.9225 -4.42146 HAL2 8142 0 0 0 0.09 8146 8144 H10 SLES 1 9.65257 -36.1086 -5.7292 HAL2 8142 0 0 0 0.09 8147 8145 C11 SLES 1 9.95042 -35.3179 -3.78173 CTL2 8142 8146 8147 8148 -0.18 8148 8146 H11 SLES 1 9.99852 -35.7006 -2.73568 HAL2 8145 0 0 0 0.09 8149 8147 H11 SLES 1 10.9403 -34.882 -4.0511 HAL2 8145 0 0 0 0.09 8150 8148 C12 SLES 1 8.81146 -34.3117 -3.96984 CTL3 8145 8149 8150 8151 -0.27 8151 8149 H12 SLES 1 8.26556 -34.1739 -3.01639 HAL3 8148 0 0 0 0.09 8152 8150 H12 SLES 1 9.21329 -33.3489 -4.34132 HAL3 8148 0 0 0 0.09 8153 8151 H12 SLES 1 8.05942 -34.655 -4.72216 HAL3 8148 0 0 0 0.09 8154 8152 NA SLES 1 30.1162 -48.3502 -11.7177 NA 0 0 0 0 1 8155 8153 S SLES 1 27.1505 -48.4822 -12.3189 SL 8154 8155 8156 8157 1.33 8156 8154 OS1 SLES 1 27.3294 -47.2247 -11.5734 OSL 8153 8158 0 0 -0.28 8157 8155 OS2 SLES 1 27.737 -49.2404 -11.2364 O2L 8153 0 0 0 -0.65 8158 8156 OS3 SLES 1 28.08 -48.0465 -13.3355 O2L 8153 0 0 0 -0.65 8159 8157 OS4 SLES 1 25.7493 -48.5964 -12.6115 O2L 8153 0 0 0 -0.65 8160 8158 C2 SLES 1 26.3755 -46.2954 -11.2452 CC32A 8154 8159 8160 8161 -0.11 8161 8159 H2A SLES 1 25.5781 -46.7542 -10.6028 HCA2 8158 0 0 0 0.09 8162 8160 H2B SLES 1 25.912 -45.8539 -12.167 HCA2 8158 0 0 0 0.09 8163 8161 C1 SLES 1 27.1993 -45.2489 -10.4643 CC32A 8158 8162 8163 8164 -0.01 8164 8162 H1B SLES 1 27.683 -45.71 -9.56449 HCA2 8161 0 0 0 0.09 8165 8163 H1A SLES 1 27.9957 -44.806 -11.1114 HCA2 8161 0 0 0 0.09 8166 8164 O1 SLES 1 26.5482 -44.1312 -9.9536 OC30A 8161 8165 0 0 -0.34 8167 8165 C2 SLES 1 25.1518 -44.0228 -10.1609 CC32A 8164 8166 8167 8168 -0.01 8168 8166 H2A SLES 1 24.6165 -44.9031 -9.70275 HCA2 8165 0 0 0 0.09 8169 8167 H2B SLES 1 24.9055 -43.9875 -11.248 HCA2 8165 0 0 0 0.09 8170 8168 C1 SLES 1 25.1981 -42.7532 -9.23513 CC32A 8165 8169 8170 8171 -0.01 8171 8169 H1B SLES 1 24.5157 -43.2384 -8.52484 HCA2 8168 0 0 0 0.09 8172 8170 H1A SLES 1 24.8905 -42.2544 -10.2245 HCA2 8168 0 0 0 0.09 8173 8171 O1 SLES 1 24.9683 -41.4469 -8.77397 OC30A 8168 8172 0 0 -0.34 8174 8172 C1 SLES 1 23.6233 -41.0089 -8.64392 CTL2 8171 8173 8174 8175 -0.18 8175 8173 H11 SLES 1 22.9214 -41.7163 -8.12029 HAL2 8172 0 0 0 0.09 8176 8174 H12 SLES 1 23.1834 -40.7962 -9.65077 HAL2 8172 0 0 0 0.09 8177 8175 C2 SLES 1 23.8583 -39.7369 -7.83045 CTL2 8172 8176 8177 8178 -0.18 8178 8176 H21 SLES 1 24.2417 -39.9319 -6.80011 HAL2 8175 0 0 0 0.09 8179 8177 H22 SLES 1 24.5381 -39.0106 -8.33919 HAL2 8175 0 0 0 0.09 8180 8178 C3 SLES 1 22.5089 -39.1474 -7.74261 CTL2 8175 8179 8180 8181 -0.18 8181 8179 H31 SLES 1 21.8862 -39.9284 -7.22712 HAL2 8178 0 0 0 0.09 8182 8180 H32 SLES 1 22.1926 -38.9874 -8.81039 HAL2 8178 0 0 0 0.09 8183 8181 C4 SLES 1 22.2708 -37.8578 -7.0261 CTL2 8178 8182 8183 8184 -0.18 8184 8182 H41 SLES 1 22.558 -37.9319 -5.94824 HAL2 8181 0 0 0 0.09 8185 8183 H42 SLES 1 22.8555 -37.0248 -7.48226 HAL2 8181 0 0 0 0.09 8186 8184 C5 SLES 1 20.7574 -37.7583 -7.26071 CTL2 8181 8185 8186 8187 -0.18 8187 8185 H51 SLES 1 20.2345 -38.66 -6.84412 HAL2 8184 0 0 0 0.09 8188 8186 H52 SLES 1 20.529 -37.7627 -8.35897 HAL2 8184 0 0 0 0.09 8189 8187 C6 SLES 1 20.0702 -36.5886 -6.70146 CTL2 8184 8188 8189 8190 -0.18 8190 8188 H61 SLES 1 19.2529 -36.9898 -6.04273 HAL2 8187 0 0 0 0.09 8191 8189 H62 SLES 1 19.5482 -36.0898 -7.56172 HAL2 8187 0 0 0 0.09 8192 8190 C7 SLES 1 20.9328 -35.578 -5.93588 CTL2 8187 8191 8192 8193 -0.18 8193 8191 H71 SLES 1 21.4158 -35.9954 -5.02089 HAL2 8190 0 0 0 0.09 8194 8192 H72 SLES 1 21.7144 -35.0842 -6.55882 HAL2 8190 0 0 0 0.09 8195 8193 C8 SLES 1 19.8753 -34.6034 -5.56259 CTL2 8190 8194 8195 8196 -0.18 8196 8194 H81 SLES 1 19.1162 -35.1752 -4.95859 HAL2 8193 0 0 0 0.09 8197 8195 H82 SLES 1 19.4211 -34.2453 -6.53001 HAL2 8193 0 0 0 0.09 8198 8196 C9 SLES 1 20.2151 -33.3858 -4.77589 CTL2 8193 8197 8198 8199 -0.18 8199 8197 H91 SLES 1 20.6491 -33.6724 -3.79192 HAL2 8196 0 0 0 0.09 8200 8198 H92 SLES 1 20.9478 -32.76 -5.33336 HAL2 8196 0 0 0 0.09 8201 8199 C10 SLES 1 18.8352 -32.7412 -4.66193 CTL2 8196 8200 8201 8202 -0.18 8202 8200 H10 SLES 1 18.1233 -33.4493 -4.15801 HAL2 8199 0 0 0 0.09 8203 8201 H10 SLES 1 18.4202 -32.5436 -5.68768 HAL2 8199 0 0 0 0.09 8204 8202 C11 SLES 1 18.7987 -31.4527 -3.90631 CTL2 8199 8203 8204 8205 -0.18 8205 8203 H11 SLES 1 19.1905 -31.6571 -2.88271 HAL2 8202 0 0 0 0.09 8206 8204 H11 SLES 1 19.4897 -30.7459 -4.42147 HAL2 8202 0 0 0 0.09 8207 8205 C12 SLES 1 17.3612 -30.926 -3.87289 CTL3 8202 8206 8207 8208 -0.27 8208 8206 H12 SLES 1 17.0059 -30.8588 -2.82631 HAL3 8205 0 0 0 0.09 8209 8207 H12 SLES 1 17.3063 -29.941 -4.37601 HAL3 8205 0 0 0 0.09 8210 8208 H12 SLES 1 16.6482 -31.5987 -4.41004 HAL3 8205 0 0 0 0.09 8211 8209 NA SLES 1 41.5632 -38.6671 -12.1987 NA 0 0 0 0 1 8212 8210 S SLES 1 38.7931 -39.8907 -12.1359 SL 8211 8212 8213 8214 1.33 8213 8211 OS1 SLES 1 38.6199 -38.5348 -11.5875 OSL 8210 8215 0 0 -0.28 8214 8212 OS2 SLES 1 39.7808 -40.2032 -11.1272 O2L 8210 0 0 0 -0.65 8215 8213 OS3 SLES 1 39.3245 -39.3564 -13.3686 O2L 8210 0 0 0 -0.65 8216 8214 OS4 SLES 1 37.5019 -40.5182 -12.1089 O2L 8210 0 0 0 -0.65 8217 8215 C2 SLES 1 37.4595 -37.9367 -11.1669 CC32A 8211 8216 8217 8218 -0.11 8218 8216 H2A SLES 1 36.9977 -38.5145 -10.3232 HCA2 8215 0 0 0 0.09 8219 8217 H2B SLES 1 36.7257 -37.8473 -12.0114 HCA2 8215 0 0 0 0.09 8220 8218 C1 SLES 1 37.9604 -36.5535 -10.6985 CC32A 8215 8219 8220 8221 -0.01 8221 8219 H1B SLES 1 38.7165 -36.6581 -9.87766 HCA2 8218 0 0 0 0.09 8222 8220 H1A SLES 1 38.4264 -35.9916 -11.5449 HCA2 8218 0 0 0 0.09 8223 8221 O1 SLES 1 37.0387 -35.647 -10.1859 OC30A 8218 8222 0 0 -0.34 8224 8222 C2 SLES 1 35.6846 -36.0519 -10.1014 CC32A 8221 8223 8224 8225 -0.01 8225 8223 H2A SLES 1 35.5869 -36.9646 -9.44645 HCA2 8222 0 0 0 0.09 8226 8224 H2B SLES 1 35.2712 -36.2949 -11.1082 HCA2 8222 0 0 0 0.09 8227 8225 C1 SLES 1 35.4143 -34.6974 -9.35098 CC32A 8222 8226 8227 8228 -0.01 8228 8226 H1B SLES 1 35.0784 -35.249 -8.46297 HCA2 8225 0 0 0 0.09 8229 8227 H1A SLES 1 34.7918 -34.5148 -10.3005 HCA2 8225 0 0 0 0.09 8230 8228 O1 SLES 1 34.8026 -33.484 -8.99682 OC30A 8225 8229 0 0 -0.34 8231 8229 C1 SLES 1 33.43 -33.5067 -8.63171 CTL2 8228 8230 8231 8232 -0.18 8232 8230 H11 SLES 1 33.1272 -34.3037 -7.89655 HAL2 8229 0 0 0 0.09 8233 8231 H12 SLES 1 32.7874 -33.6363 -9.53874 HAL2 8229 0 0 0 0.09 8234 8232 C2 SLES 1 33.314 -32.1066 -8.03081 CTL2 8229 8233 8234 8235 -0.18 8235 8233 H21 SLES 1 33.9021 -31.9754 -7.09086 HAL2 8232 0 0 0 0.09 8236 8234 H22 SLES 1 33.5921 -31.297 -8.74887 HAL2 8232 0 0 0 0.09 8237 8235 C3 SLES 1 31.8755 -31.9982 -7.72228 CTL2 8232 8236 8237 8238 -0.18 8238 8236 H31 SLES 1 31.6708 -32.838 -7.00386 HAL2 8235 0 0 0 0.09 8239 8237 H32 SLES 1 31.3556 -32.1459 -8.70905 HAL2 8235 0 0 0 0.09 8240 8238 C4 SLES 1 31.3033 -30.7577 -7.11659 CTL2 8235 8239 8240 8241 -0.18 8241 8239 H41 SLES 1 31.7668 -30.5385 -6.1232 HAL2 8238 0 0 0 0.09 8242 8240 H42 SLES 1 31.4639 -29.8719 -7.77499 HAL2 8238 0 0 0 0.09 8243 8241 C5 SLES 1 29.8407 -31.2149 -7.03273 CTL2 8238 8242 8243 8244 -0.18 8244 8242 H51 SLES 1 29.7555 -32.1505 -6.41842 HAL2 8241 0 0 0 0.09 8245 8243 H52 SLES 1 29.4563 -31.4906 -8.04988 HAL2 8241 0 0 0 0.09 8246 8244 C6 SLES 1 28.8747 -30.2638 -6.47095 CTL2 8241 8245 8246 8247 -0.18 8247 8245 H61 SLES 1 28.3763 -30.7921 -5.61342 HAL2 8244 0 0 0 0.09 8248 8246 H62 SLES 1 28.0763 -30.1302 -7.24937 HAL2 8244 0 0 0 0.09 8249 8247 C7 SLES 1 29.4219 -28.9035 -6.02174 CTL2 8244 8248 8249 8250 -0.18 8250 8248 H71 SLES 1 30.1637 -28.9652 -5.19074 HAL2 8247 0 0 0 0.09 8251 8249 H72 SLES 1 29.8596 -28.2952 -6.847 HAL2 8247 0 0 0 0.09 8252 8250 C8 SLES 1 28.1571 -28.2902 -5.5403 CTL2 8247 8251 8252 8253 -0.18 8253 8251 H81 SLES 1 27.7653 -28.9666 -4.72969 HAL2 8250 0 0 0 0.09 8254 8252 H82 SLES 1 27.4548 -28.2831 -6.42186 HAL2 8250 0 0 0 0.09 8255 8253 C9 SLES 1 28.1527 -26.9101 -4.98175 CTL2 8250 8254 8255 8256 -0.18 8256 8254 H91 SLES 1 28.8131 -26.8549 -4.08761 HAL2 8253 0 0 0 0.09 8257 8255 H92 SLES 1 28.508 -26.1844 -5.74744 HAL2 8253 0 0 0 0.09 8258 8256 C10 SLES 1 26.6704 -26.7562 -4.64739 CTL2 8253 8257 8258 8259 -0.18 8259 8257 H10 SLES 1 26.3554 -27.5607 -3.92914 HAL2 8256 0 0 0 0.09 8260 8258 H10 SLES 1 26.053 -26.8948 -5.57643 HAL2 8256 0 0 0 0.09 8261 8259 C11 SLES 1 26.2899 -25.4422 -4.04658 CTL2 8256 8260 8261 8262 -0.18 8262 8260 H11 SLES 1 26.8881 -25.318 -3.11395 HAL2 8259 0 0 0 0.09 8263 8261 H11 SLES 1 26.5844 -24.648 -4.77115 HAL2 8259 0 0 0 0.09 8264 8262 C12 SLES 1 24.7847 -25.4311 -3.76527 CTL3 8259 8263 8264 8265 -0.27 8265 8263 H12 SLES 1 24.6022 -25.3021 -2.68075 HAL3 8262 0 0 0 0.09 8266 8264 H12 SLES 1 24.2955 -24.6275 -4.34955 HAL3 8262 0 0 0 0.09 8267 8265 H12 SLES 1 24.2887 -26.388 -4.06144 HAL3 8262 0 0 0 0.09 8268 8266 NA SLES 1 49.977 -26.4872 -12.6971 NA 0 0 0 0 1 8269 8267 S SLES 1 47.8657 -28.5257 -11.9478 SL 8268 8269 8270 8271 1.33 8270 8268 OS1 SLES 1 47.2725 -27.2227 -11.6022 OSL 8267 8272 0 0 -0.28 8271 8269 OS2 SLES 1 49.0032 -28.2663 -11.0936 O2L 8267 0 0 0 -0.65 8272 8270 OS3 SLES 1 48.0286 -28.1199 -13.3247 O2L 8267 0 0 0 -0.65 8273 8271 OS4 SLES 1 46.9021 -29.5289 -11.5915 O2L 8267 0 0 0 -0.65 8274 8272 C2 SLES 1 46.0274 -26.9735 -11.0838 CC32A 8268 8273 8274 8275 -0.11 8275 8273 H2A SLES 1 45.9022 -27.4787 -10.0898 HCA2 8272 0 0 0 0.09 8276 8274 H2B SLES 1 45.2238 -27.3175 -11.7877 HCA2 8272 0 0 0 0.09 8277 8275 C1 SLES 1 46.0392 -25.4363 -10.9401 CC32A 8272 8276 8277 8278 -0.01 8278 8276 H1B SLES 1 46.8662 -25.1038 -10.2606 HCA2 8275 0 0 0 0.09 8279 8277 H1A SLES 1 46.1737 -24.9447 -11.9348 HCA2 8275 0 0 0 0.09 8280 8278 O1 SLES 1 44.9129 -24.8043 -10.4242 OC30A 8275 8279 0 0 -0.34 8281 8279 C2 SLES 1 43.8164 -25.6121 -10.0367 CC32A 8278 8280 8281 8282 -0.01 8282 8280 H2A SLES 1 44.1293 -26.3428 -9.23687 HCA2 8279 0 0 0 0.09 8283 8281 H2B SLES 1 43.4125 -26.1882 -10.9018 HCA2 8279 0 0 0 0.09 8284 8282 C1 SLES 1 43.1559 -24.2998 -9.47755 CC32A 8279 8283 8284 8285 -0.01 8285 8283 H1B SLES 1 43.1426 -24.7294 -8.46715 HCA2 8282 0 0 0 0.09 8286 8284 H1A SLES 1 42.41 -24.5433 -10.3182 HCA2 8282 0 0 0 0.09 8287 8285 O1 SLES 1 42.1876 -23.316 -9.21989 OC30A 8282 8286 0 0 -0.34 8288 8286 C1 SLES 1 40.9658 -23.7194 -8.61797 CTL2 8285 8287 8288 8289 -0.18 8289 8287 H11 SLES 1 41.0555 -24.3956 -7.72245 HAL2 8286 0 0 0 0.09 8290 8288 H12 SLES 1 40.3193 -24.2472 -9.36368 HAL2 8286 0 0 0 0.09 8291 8289 C2 SLES 1 40.4151 -22.3454 -8.23876 CTL2 8286 8290 8291 8292 -0.18 8292 8290 H21 SLES 1 41.0141 -21.8275 -7.45165 HAL2 8289 0 0 0 0.09 8293 8291 H22 SLES 1 40.2998 -21.6622 -9.11531 HAL2 8289 0 0 0 0.09 8294 8292 C3 SLES 1 39.0785 -22.6626 -7.70112 CTL2 8289 8293 8294 8295 -0.18 8295 8293 H31 SLES 1 39.2727 -23.3489 -6.83239 HAL2 8292 0 0 0 0.09 8296 8294 H32 SLES 1 38.5435 -23.1828 -8.54316 HAL2 8292 0 0 0 0.09 8297 8295 C4 SLES 1 38.1643 -21.5871 -7.2106 CTL2 8292 8296 8297 8298 -0.18 8298 8296 H41 SLES 1 38.6219 -21.0188 -6.36364 HAL2 8295 0 0 0 0.09 8299 8297 H42 SLES 1 37.919 -20.8607 -8.0206 HAL2 8295 0 0 0 0.09 8300 8298 C5 SLES 1 36.9865 -22.4793 -6.79603 CTL2 8295 8299 8300 8301 -0.18 8301 8299 H51 SLES 1 37.3147 -23.2355 -6.03422 HAL2 8298 0 0 0 0.09 8302 8300 H52 SLES 1 36.62 -23.078 -7.67105 HAL2 8298 0 0 0 0.09 8303 8301 C6 SLES 1 35.8083 -21.8108 -6.23172 CTL2 8298 8302 8303 8304 -0.18 8304 8302 H61 SLES 1 35.6328 -22.2801 -5.22579 HAL2 8301 0 0 0 0.09 8305 8303 H62 SLES 1 34.9361 -22.1219 -6.86715 HAL2 8301 0 0 0 0.09 8306 8304 C7 SLES 1 35.8692 -20.2833 -6.11117 CTL2 8301 8305 8306 8307 -0.18 8307 8305 H71 SLES 1 36.6685 -19.914 -5.42618 HAL2 8304 0 0 0 0.09 8308 8306 H72 SLES 1 35.963 -19.7541 -7.08785 HAL2 8304 0 0 0 0.09 8309 8307 C8 SLES 1 34.5286 -20.0421 -5.5176 CTL2 8304 8308 8309 8310 -0.18 8310 8308 H81 SLES 1 34.5004 -20.6214 -4.55236 HAL2 8307 0 0 0 0.09 8311 8309 H82 SLES 1 33.7801 -20.459 -6.24992 HAL2 8307 0 0 0 0.09 8312 8310 C9 SLES 1 34.0838 -18.658 -5.1961 CTL2 8307 8311 8312 8313 -0.18 8313 8311 H91 SLES 1 34.7724 -18.1954 -4.4541 HAL2 8310 0 0 0 0.09 8314 8312 H92 SLES 1 34.0653 -18.0361 -6.11915 HAL2 8310 0 0 0 0.09 8315 8313 C10 SLES 1 32.693 -18.9427 -4.6329 CTL2 8310 8314 8315 8316 -0.18 8316 8314 H10 SLES 1 32.7723 -19.6335 -3.75043 HAL2 8313 0 0 0 0.09 8317 8315 H10 SLES 1 32.0708 -19.4749 -5.40304 HAL2 8313 0 0 0 0.09 8318 8316 C11 SLES 1 31.9289 -17.7365 -4.19298 CTL2 8313 8317 8318 8319 -0.18 8319 8317 H11 SLES 1 32.539 -17.2232 -3.41365 HAL2 8316 0 0 0 0.09 8320 8318 H11 SLES 1 31.8336 -17.0633 -5.07629 HAL2 8316 0 0 0 0.09 8321 8319 C12 SLES 1 30.5629 -18.1712 -3.65431 CTL3 8316 8320 8321 8322 -0.27 8322 8320 H12 SLES 1 30.4656 -17.8829 -2.58963 HAL3 8319 0 0 0 0.09 8323 8321 H12 SLES 1 29.7545 -17.7223 -4.26373 HAL3 8319 0 0 0 0.09 8324 8322 H12 SLES 1 30.4195 -19.2788 -3.70013 HAL3 8319 0 0 0 0.09 8325 8323 NA SLES 1 54.901 -12.7311 -13.179 NA 0 0 0 0 1 8326 8324 S SLES 1 53.7049 -15.129 -11.7672 SL 8325 8326 8327 8328 1.33 8327 8325 OS1 SLES 1 52.7008 -14.0621 -11.6165 OSL 8324 8329 0 0 -0.28 8328 8326 OS2 SLES 1 54.7143 -14.307 -11.1379 O2L 8324 0 0 0 -0.65 8329 8327 OS3 SLES 1 53.6414 -15.0263 -13.2068 O2L 8324 0 0 0 -0.65 8330 8328 OS4 SLES 1 53.1858 -16.2865 -11.0943 O2L 8324 0 0 0 -0.65 8331 8329 C2 SLES 1 51.4771 -14.1359 -11.0015 CC32A 8325 8330 8331 8332 -0.11 8332 8330 H2A SLES 1 51.5922 -14.4061 -9.91854 HCA2 8329 0 0 0 0.09 8333 8331 H2B SLES 1 50.8168 -14.8867 -11.5113 HCA2 8329 0 0 0 0.09 8334 8332 C1 SLES 1 50.9424 -12.6977 -11.1725 CC32A 8329 8333 8334 8335 -0.01 8335 8333 H1B SLES 1 51.6275 -11.9551 -10.6871 HCA2 8332 0 0 0 0.09 8336 8334 H1A SLES 1 50.8409 -12.4371 -12.2546 HCA2 8332 0 0 0 0.09 8337 8335 O1 SLES 1 49.6916 -12.3831 -10.6523 OC30A 8332 8336 0 0 -0.34 8338 8336 C2 SLES 1 48.9801 -13.4002 -9.9711 CC32A 8335 8337 8338 8339 -0.01 8339 8337 H2A SLES 1 49.5746 -13.7727 -9.08831 HCA2 8336 0 0 0 0.09 8340 8338 H2B SLES 1 48.7675 -14.2647 -10.6427 HCA2 8336 0 0 0 0.09 8341 8339 C1 SLES 1 47.9207 -12.2977 -9.60622 CC32A 8336 8340 8341 8342 -0.01 8342 8340 H1B SLES 1 48.1136 -12.4571 -8.5371 HCA2 8339 0 0 0 0.09 8343 8341 H1A SLES 1 47.2711 -12.9693 -10.2765 HCA2 8339 0 0 0 0.09 8344 8342 O1 SLES 1 46.6776 -11.6694 -9.42798 OC30A 8339 8343 0 0 -0.34 8345 8343 C1 SLES 1 45.7145 -12.3104 -8.60364 CTL2 8342 8344 8345 8346 -0.18 8346 8344 H11 SLES 1 46.0864 -12.6865 -7.60987 HAL2 8343 0 0 0 0.09 8347 8345 H12 SLES 1 45.2646 -13.1851 -9.13751 HAL2 8343 0 0 0 0.09 8348 8346 C2 SLES 1 44.7263 -11.1565 -8.44012 CTL2 8343 8347 8348 8349 -0.18 8349 8347 H21 SLES 1 45.1376 -10.2972 -7.85791 HAL2 8346 0 0 0 0.09 8350 8348 H22 SLES 1 44.3291 -10.7784 -9.41354 HAL2 8346 0 0 0 0.09 8351 8349 C3 SLES 1 43.6221 -11.773 -7.68058 CTL2 8346 8350 8351 8352 -0.18 8352 8350 H31 SLES 1 44.0936 -12.1291 -6.7244 HAL2 8349 0 0 0 0.09 8353 8351 H32 SLES 1 43.2685 -12.6255 -8.324 HAL2 8349 0 0 0 0.09 8354 8352 C4 SLES 1 42.4081 -10.9883 -7.30174 CTL2 8349 8353 8354 8355 -0.18 8355 8353 H41 SLES 1 42.6725 -10.117 -6.65316 HAL2 8352 0 0 0 0.09 8356 8354 H42 SLES 1 41.8776 -10.5993 -8.20234 HAL2 8352 0 0 0 0.09 8357 8355 C5 SLES 1 41.6525 -12.1036 -6.56674 CTL2 8352 8356 8357 8358 -0.18 8358 8356 H51 SLES 1 42.2686 -12.503 -5.7177 HAL2 8355 0 0 0 0.09 8359 8357 H52 SLES 1 41.4824 -12.9783 -7.24829 HAL2 8355 0 0 0 0.09 8360 8358 C6 SLES 1 40.3427 -11.762 -6.0001 CTL2 8355 8359 8360 8361 -0.18 8361 8359 H61 SLES 1 40.3985 -12.0136 -4.90627 HAL2 8358 0 0 0 0.09 8362 8360 H62 SLES 1 39.61 -12.49 -6.44112 HAL2 8358 0 0 0 0.09 8363 8361 C7 SLES 1 39.856 -10.3214 -6.19808 CTL2 8358 8362 8363 8364 -0.18 8364 8362 H71 SLES 1 40.5023 -9.55345 -5.71117 HAL2 8361 0 0 0 0.09 8365 8363 H72 SLES 1 39.7039 -10.036 -7.26493 HAL2 8361 0 0 0 0.09 8366 8364 C8 SLES 1 38.55 -10.4173 -5.49601 CTL2 8361 8365 8366 8367 -0.18 8367 8365 H81 SLES 1 38.7806 -10.7288 -4.4387 HAL2 8364 0 0 0 0.09 8368 8366 H82 SLES 1 37.9657 -11.2224 -6.02591 HAL2 8364 0 0 0 0.09 8369 8367 C9 SLES 1 37.6539 -9.23183 -5.40431 CTL2 8364 8368 8369 8370 -0.18 8370 8368 H91 SLES 1 38.1663 -8.40309 -4.86642 HAL2 8367 0 0 0 0.09 8371 8369 H92 SLES 1 37.3665 -8.88751 -6.42315 HAL2 8367 0 0 0 0.09 8372 8370 C10 SLES 1 36.4887 -9.83111 -4.61946 CTL2 8367 8371 8372 8373 -0.18 8373 8371 H10 SLES 1 36.8555 -10.227 -3.63408 HAL2 8370 0 0 0 0.09 8374 8372 H10 SLES 1 36.0618 -10.7073 -5.17932 HAL2 8370 0 0 0 0.09 8375 8373 C11 SLES 1 35.365 -8.88819 -4.33553 CTL2 8370 8374 8375 8376 -0.18 8376 8374 H11 SLES 1 35.788 -8.03115 -3.76138 HAL2 8373 0 0 0 0.09 8377 8375 H11 SLES 1 34.9897 -8.51394 -5.31611 HAL2 8373 0 0 0 0.09 8378 8376 C12 SLES 1 34.2758 -9.62142 -3.54757 CTL3 8373 8377 8378 8379 -0.27 8379 8377 H12 SLES 1 34.1349 -9.14256 -2.55916 HAL3 8376 0 0 0 0.09 8380 8378 H12 SLES 1 33.3305 -9.62932 -4.12442 HAL3 8376 0 0 0 0.09 8381 8379 H12 SLES 1 34.5383 -10.69 -3.35072 HAL3 8376 0 0 0 0.09 8382 8380 NA SLES 1 47.8631 1.64418 -27.3046 NA 0 0 0 0 1 8383 8381 S SLES 1 48.1029 -0.607557 -25.2931 SL 8382 8383 8384 8385 1.33 8384 8382 OS1 SLES 1 46.8239 0.0495181 -24.9742 OSL 8381 8386 0 0 -0.28 8385 8383 OS2 SLES 1 48.8176 0.637759 -25.1228 O2L 8381 0 0 0 -0.65 8386 8384 OS3 SLES 1 47.6607 -0.880562 -26.6411 O2L 8381 0 0 0 -0.65 8387 8385 OS4 SLES 1 48.2682 -1.67631 -24.3484 O2L 8381 0 0 0 -0.65 8388 8386 C2 SLES 1 45.9184 -0.293442 -24.0028 CC32A 8382 8387 8388 8389 -0.11 8389 8387 H2A SLES 1 46.3878 -0.239842 -22.9851 HCA2 8386 0 0 0 0.09 8390 8388 H2B SLES 1 45.5126 -1.32482 -24.1791 HCA2 8386 0 0 0 0.09 8391 8389 C1 SLES 1 44.829 0.785828 -24.1813 CC32A 8386 8390 8391 8392 -0.01 8392 8390 H1B SLES 1 45.2542 1.81251 -24.0347 HCA2 8389 0 0 0 0.09 8393 8391 H1A SLES 1 44.3756 0.728524 -25.2013 HCA2 8389 0 0 0 0.09 8394 8392 O1 SLES 1 43.7214 0.763312 -23.3407 OC30A 8389 8393 0 0 -0.34 8395 8393 C2 SLES 1 43.6622 -0.242648 -22.346 CC32A 8392 8394 8395 8396 -0.01 8396 8394 H2A SLES 1 44.5486 -0.164001 -21.6536 HCA2 8393 0 0 0 0.09 8397 8395 H2B SLES 1 43.6591 -1.26114 -22.8001 HCA2 8393 0 0 0 0.09 8398 8396 C1 SLES 1 42.3714 0.478817 -21.8128 CC32A 8393 8397 8398 8399 -0.01 8399 8397 H1B SLES 1 42.862 0.65649 -20.8467 HCA2 8396 0 0 0 0.09 8400 8398 H1A SLES 1 41.9049 -0.515444 -22.1536 HCA2 8396 0 0 0 0.09 8401 8399 O1 SLES 1 41.0631 0.661847 -21.3367 OC30A 8396 8400 0 0 -0.34 8402 8400 C1 SLES 1 40.6653 -0.0556061 -20.1769 CTL2 8399 8401 8402 8403 -0.18 8403 8401 H11 SLES 1 41.3828 -0.0306716 -19.3099 HAL2 8400 0 0 0 0.09 8404 8402 H12 SLES 1 40.4893 -1.13244 -20.4259 HAL2 8400 0 0 0 0.09 8405 8403 C2 SLES 1 39.3685 0.688909 -19.8621 CTL2 8400 8404 8405 8406 -0.18 8406 8404 H21 SLES 1 39.5281 1.75006 -19.5537 HAL2 8403 0 0 0 0.09 8407 8405 H22 SLES 1 38.6326 0.661981 -20.7023 HAL2 8403 0 0 0 0.09 8408 8406 C3 SLES 1 38.8205 -0.0705721 -18.7223 CTL2 8403 8407 8408 8409 -0.18 8409 8407 H31 SLES 1 39.6092 -0.00200562 -17.9244 HAL2 8406 0 0 0 0.09 8410 8408 H32 SLES 1 38.6946 -1.1202 -19.1073 HAL2 8406 0 0 0 0.09 8411 8409 C4 SLES 1 37.5235 0.312422 -18.0867 CTL2 8406 8410 8411 8412 -0.18 8412 8410 H41 SLES 1 37.5642 1.34952 -17.6713 HAL2 8409 0 0 0 0.09 8413 8411 H42 SLES 1 36.6827 0.266707 -18.818 HAL2 8409 0 0 0 0.09 8414 8412 C5 SLES 1 37.4775 -0.785032 -17.015 CTL2 8409 8413 8414 8415 -0.18 8415 8413 H51 SLES 1 38.3858 -0.731426 -16.3576 HAL2 8412 0 0 0 0.09 8416 8414 H52 SLES 1 37.5137 -1.8004 -17.4905 HAL2 8412 0 0 0 0.09 8417 8415 C6 SLES 1 36.318 -0.792326 -16.1156 CTL2 8412 8416 8417 8418 -0.18 8418 8416 H61 SLES 1 36.7302 -0.739757 -15.0715 HAL2 8415 0 0 0 0.09 8419 8417 H62 SLES 1 35.8555 -1.81162 -16.2075 HAL2 8415 0 0 0 0.09 8420 8418 C7 SLES 1 35.2636 0.29928 -16.3348 CTL2 8415 8419 8420 8421 -0.18 8421 8419 H71 SLES 1 35.6447 1.33595 -16.1779 HAL2 8418 0 0 0 0.09 8422 8420 H72 SLES 1 34.7592 0.250531 -17.3278 HAL2 8418 0 0 0 0.09 8423 8421 C8 SLES 1 34.315 -0.0712677 -15.253 CTL2 8418 8422 8423 8424 -0.18 8424 8422 H81 SLES 1 34.897 -0.0213796 -14.2902 HAL2 8421 0 0 0 0.09 8425 8423 H82 SLES 1 33.9934 -1.13052 -15.465 HAL2 8421 0 0 0 0.09 8426 8424 C9 SLES 1 33.0699 0.716524 -15.0386 CTL2 8421 8425 8426 8427 -0.18 8427 8425 H91 SLES 1 33.3205 1.77424 -14.7995 HAL2 8424 0 0 0 0.09 8428 8426 H92 SLES 1 32.4338 0.685989 -15.9516 HAL2 8424 0 0 0 0.09 8429 8427 C10 SLES 1 32.4672 -0.0423176 -13.8581 CTL2 8424 8428 8429 8430 -0.18 8430 8428 H10 SLES 1 33.1862 -0.0391775 -12.9948 HAL2 8427 0 0 0 0.09 8431 8429 H10 SLES 1 32.3059 -1.11881 -14.1385 HAL2 8427 0 0 0 0.09 8432 8430 C11 SLES 1 31.1639 0.492708 -13.3604 CTL2 8427 8431 8432 8433 -0.18 8433 8431 H11 SLES 1 31.3327 1.55386 -13.0629 HAL2 8430 0 0 0 0.09 8434 8432 H11 SLES 1 30.4472 0.468091 -14.2137 HAL2 8430 0 0 0 0.09 8435 8433 C12 SLES 1 30.6827 -0.360704 -12.1835 CTL3 8430 8434 8435 8436 -0.27 8436 8434 H12 SLES 1 30.6033 0.261463 -11.271 HAL3 8433 0 0 0 0.09 8437 8435 H12 SLES 1 29.7114 -0.832578 -12.4293 HAL3 8433 0 0 0 0.09 8438 8436 H12 SLES 1 31.3896 -1.19245 -11.943 HAL3 8433 0 0 0 0.09 8439 8437 NA SLES 1 44.8982 15.8257 -27.6591 NA 0 0 0 0 1 8440 8438 S SLES 1 45.9752 14.4899 -25.1631 SL 8439 8440 8441 8442 1.33 8441 8439 OS1 SLES 1 44.5132 14.5011 -24.9849 OSL 8438 8443 0 0 -0.28 8442 8440 OS2 SLES 1 45.9955 15.9271 -25.3203 O2L 8438 0 0 0 -0.65 8443 8441 OS3 SLES 1 45.8494 13.7411 -26.3923 O2L 8438 0 0 0 -0.65 8444 8442 OS4 SLES 1 46.5324 13.8784 -23.9895 O2L 8438 0 0 0 -0.65 8445 8443 C2 SLES 1 43.787 13.9935 -23.938 CC32A 8439 8444 8445 8446 -0.11 8446 8444 H2A SLES 1 44.0727 14.4952 -22.9758 HCA2 8443 0 0 0 0.09 8447 8445 H2B SLES 1 43.9366 12.885 -23.8464 HCA2 8443 0 0 0 0.09 8448 8446 C1 SLES 1 42.3403 14.3412 -24.3499 CC32A 8443 8447 8448 8449 -0.01 8449 8447 H1B SLES 1 42.2128 15.4484 -24.4695 HCA2 8446 0 0 0 0.09 8450 8448 H1A SLES 1 42.0705 13.8437 -25.3137 HCA2 8446 0 0 0 0.09 8451 8449 O1 SLES 1 41.2984 13.9778 -23.5034 OC30A 8446 8450 0 0 -0.34 8452 8450 C2 SLES 1 41.6245 13.3225 -22.2913 CC32A 8449 8451 8452 8453 -0.01 8453 8451 H2A SLES 1 42.2955 13.973 -21.6605 HCA2 8450 0 0 0 0.09 8454 8452 H2B SLES 1 42.1479 12.3564 -22.4817 HCA2 8450 0 0 0 0.09 8455 8453 C1 SLES 1 40.1007 13.431 -21.9209 CC32A 8450 8454 8455 8456 -0.01 8456 8454 H1B SLES 1 40.3514 14.0362 -21.0398 HCA2 8453 0 0 0 0.09 8457 8455 H1A SLES 1 40.1957 12.2874 -21.9965 HCA2 8453 0 0 0 0.09 8458 8456 O1 SLES 1 38.8217 13.0624 -21.4734 OC30A 8453 8457 0 0 -0.34 8459 8457 C1 SLES 1 38.6986 12.5252 -20.1641 CTL2 8456 8458 8459 8460 -0.18 8460 8458 H11 SLES 1 39.23 13.0882 -19.3469 HAL2 8457 0 0 0 0.09 8461 8459 H12 SLES 1 39.0782 11.4727 -20.1372 HAL2 8457 0 0 0 0.09 8462 8460 C2 SLES 1 37.1802 12.601 -20.0109 CTL2 8457 8461 8462 8463 -0.18 8463 8461 H21 SLES 1 36.7879 13.6458 -19.9758 HAL2 8460 0 0 0 0.09 8464 8462 H22 SLES 1 36.631 12.0335 -20.8012 HAL2 8460 0 0 0 0.09 8465 8463 C3 SLES 1 36.9474 11.9513 -18.707 CTL2 8460 8464 8465 8466 -0.18 8466 8464 H31 SLES 1 37.5272 12.57 -17.9692 HAL2 8463 0 0 0 0.09 8467 8465 H32 SLES 1 37.3713 10.9153 -18.8199 HAL2 8463 0 0 0 0.09 8468 8466 C4 SLES 1 35.5681 11.7934 -18.1542 CTL2 8463 8467 8468 8469 -0.18 8469 8467 H41 SLES 1 35.0726 12.7847 -18.0069 HAL2 8466 0 0 0 0.09 8470 8468 H42 SLES 1 34.9253 11.184 -18.832 HAL2 8466 0 0 0 0.09 8471 8469 C5 SLES 1 35.9414 11.0845 -16.8454 CTL2 8466 8470 8471 8472 -0.18 8472 8470 H51 SLES 1 36.6469 11.7164 -16.2429 HAL2 8469 0 0 0 0.09 8473 8471 H52 SLES 1 36.4999 10.1352 -17.0582 HAL2 8469 0 0 0 0.09 8474 8472 C6 SLES 1 34.8412 10.7222 -15.9445 CTL2 8469 8473 8474 8475 -0.18 8475 8473 H61 SLES 1 35.0747 11.2013 -14.9552 HAL2 8472 0 0 0 0.09 8476 8474 H62 SLES 1 34.9271 9.61563 -15.7727 HAL2 8472 0 0 0 0.09 8477 8475 C7 SLES 1 33.4233 11.088 -16.3997 CTL2 8472 8476 8477 8478 -0.18 8478 8476 H71 SLES 1 33.2515 12.1847 -16.5107 HAL2 8475 0 0 0 0.09 8479 8477 H72 SLES 1 33.1022 10.5792 -17.3382 HAL2 8475 0 0 0 0.09 8480 8478 C8 SLES 1 32.6616 10.5612 -15.2379 CTL2 8475 8479 8480 8481 -0.18 8481 8479 H81 SLES 1 33.0531 11.1016 -14.3308 HAL2 8478 0 0 0 0.09 8482 8480 H82 SLES 1 32.9015 9.46163 -15.1761 HAL2 8478 0 0 0 0.09 8483 8481 C9 SLES 1 31.1777 10.6758 -15.1938 CTL2 8478 8482 8483 8484 -0.18 8484 8482 H91 SLES 1 30.8736 11.7459 -15.2274 HAL2 8481 0 0 0 0.09 8485 8483 H92 SLES 1 30.7248 10.137 -16.0562 HAL2 8481 0 0 0 0.09 8486 8484 C10 SLES 1 30.8928 10.0095 -13.8494 CTL2 8481 8485 8486 8487 -0.18 8487 8485 H10 SLES 1 31.4361 10.5539 -13.0305 HAL2 8484 0 0 0 0.09 8488 8486 H10 SLES 1 31.288 8.95725 -13.8534 HAL2 8484 0 0 0 0.09 8489 8487 C11 SLES 1 29.4497 9.94613 -13.4674 CTL2 8484 8488 8489 8490 -0.18 8490 8488 H11 SLES 1 29.0665 10.9929 -13.4432 HAL2 8487 0 0 0 0.09 8491 8489 H11 SLES 1 28.9175 9.38687 -14.2715 HAL2 8487 0 0 0 0.09 8492 8490 C12 SLES 1 29.3161 9.25751 -12.1062 CTL3 8487 8491 8492 8493 -0.27 8493 8491 H12 SLES 1 28.8628 9.95193 -11.3724 HAL3 8490 0 0 0 0.09 8494 8492 H12 SLES 1 28.7128 8.33415 -12.2057 HAL3 8490 0 0 0 0.09 8495 8493 H12 SLES 1 30.3048 8.94883 -11.6859 HAL3 8490 0 0 0 0.09 8496 8494 NA SLES 1 38.0145 28.3538 -27.8817 NA 0 0 0 0 1 8497 8495 S SLES 1 39.1655 28.2038 -25.084 SL 8496 8497 8498 8499 1.33 8498 8496 OS1 SLES 1 37.8591 27.5299 -24.9919 OSL 8495 8500 0 0 -0.28 8499 8497 OS2 SLES 1 38.5404 29.4093 -25.5808 O2L 8495 0 0 0 -0.65 8500 8498 OS3 SLES 1 39.605 27.2775 -26.1019 O2L 8495 0 0 0 -0.65 8501 8499 OS4 SLES 1 39.7432 28.1724 -23.7698 O2L 8495 0 0 0 -0.65 8502 8500 C2 SLES 1 37.2925 26.9347 -23.8938 CC32A 8496 8501 8502 8503 -0.11 8503 8501 H2A SLES 1 37.1507 27.6795 -23.0667 HCA2 8500 0 0 0 0.09 8504 8502 H2B SLES 1 37.9233 26.0804 -23.5305 HCA2 8500 0 0 0 0.09 8505 8503 C1 SLES 1 35.9392 26.446 -24.4537 CC32A 8500 8504 8505 8506 -0.01 8506 8504 H1B SLES 1 35.3329 27.3047 -24.8426 HCA2 8503 0 0 0 0.09 8507 8505 H1A SLES 1 36.0933 25.7121 -25.2825 HCA2 8503 0 0 0 0.09 8508 8506 O1 SLES 1 35.0636 25.7819 -23.6014 OC30A 8503 8507 0 0 -0.34 8509 8507 C2 SLES 1 35.4543 25.607 -22.2517 CC32A 8506 8508 8509 8510 -0.01 8510 8508 H2A SLES 1 35.6326 26.6064 -21.761 HCA2 8507 0 0 0 0.09 8511 8509 H2B SLES 1 36.3901 25.0053 -22.176 HCA2 8507 0 0 0 0.09 8512 8510 C1 SLES 1 34.0175 25.021 -22 CC32A 8507 8511 8512 8513 -0.01 8513 8511 H1B SLES 1 33.8104 25.822 -21.2782 HCA2 8510 0 0 0 0.09 8514 8512 H1A SLES 1 34.6444 24.0794 -21.7932 HCA2 8510 0 0 0 0.09 8515 8513 O1 SLES 1 33.0031 24.1628 -21.5458 OC30A 8510 8514 0 0 -0.34 8516 8514 C1 SLES 1 32.9322 23.8863 -20.1542 CTL2 8513 8515 8516 8517 -0.18 8517 8515 H11 SLES 1 32.9992 24.7772 -19.4692 HAL2 8514 0 0 0 0.09 8518 8516 H12 SLES 1 33.7475 23.1806 -19.8548 HAL2 8514 0 0 0 0.09 8519 8517 C2 SLES 1 31.5507 23.2351 -20.1048 CTL2 8514 8518 8519 8520 -0.18 8520 8518 H21 SLES 1 30.7177 23.9395 -20.343 HAL2 8517 0 0 0 0.09 8521 8519 H22 SLES 1 31.4658 22.3367 -20.7636 HAL2 8517 0 0 0 0.09 8522 8520 C3 SLES 1 31.4375 22.808 -18.6973 CTL2 8517 8521 8522 8523 -0.18 8523 8521 H31 SLES 1 31.5339 23.7553 -18.1 HAL2 8520 0 0 0 0.09 8524 8522 H32 SLES 1 32.3066 22.1122 -18.535 HAL2 8520 0 0 0 0.09 8525 8523 C4 SLES 1 30.2206 22.0996 -18.197 CTL2 8520 8524 8525 8526 -0.18 8526 8524 H41 SLES 1 29.3044 22.7284 -18.319 HAL2 8523 0 0 0 0.09 8527 8525 H42 SLES 1 30.0554 21.1404 -18.7416 HAL2 8523 0 0 0 0.09 8528 8526 C5 SLES 1 30.6616 21.9199 -16.7381 CTL2 8523 8527 8528 8529 -0.18 8529 8527 H51 SLES 1 30.8831 22.9151 -16.2686 HAL2 8526 0 0 0 0.09 8530 8528 H52 SLES 1 31.6238 21.3455 -16.6864 HAL2 8526 0 0 0 0.09 8531 8529 C6 SLES 1 29.7257 21.2383 -15.8365 CTL2 8526 8530 8531 8532 -0.18 8532 8530 H61 SLES 1 29.5446 21.9434 -14.9804 HAL2 8529 0 0 0 0.09 8533 8531 H62 SLES 1 30.2871 20.3693 -15.3994 HAL2 8529 0 0 0 0.09 8534 8532 C7 SLES 1 28.3962 20.7711 -16.4412 CTL2 8529 8533 8534 8535 -0.18 8535 8533 H71 SLES 1 27.7548 21.6008 -16.8217 HAL2 8532 0 0 0 0.09 8536 8534 H72 SLES 1 28.5067 20.0072 -17.2456 HAL2 8532 0 0 0 0.09 8537 8535 C8 SLES 1 27.7888 20.1634 -15.2291 CTL2 8532 8536 8537 8538 -0.18 8538 8536 H81 SLES 1 27.73 20.9829 -14.459 HAL2 8535 0 0 0 0.09 8539 8537 H82 SLES 1 28.4989 19.3556 -14.892 HAL2 8535 0 0 0 0.09 8540 8538 C9 SLES 1 26.4372 19.5421 -15.293 CTL2 8535 8539 8540 8541 -0.18 8541 8539 H91 SLES 1 25.6804 20.2985 -15.599 HAL2 8538 0 0 0 0.09 8542 8540 H92 SLES 1 26.4345 18.7019 -16.0233 HAL2 8538 0 0 0 0.09 8543 8541 C10 SLES 1 26.2798 19.0827 -13.845 CTL2 8538 8542 8543 8544 -0.18 8544 8542 H10 SLES 1 26.3656 19.9638 -13.1532 HAL2 8541 0 0 0 0.09 8545 8543 H10 SLES 1 27.1137 18.3791 -13.5748 HAL2 8541 0 0 0 0.09 8546 8544 C11 SLES 1 24.9913 18.392 -13.5364 CTL2 8541 8545 8546 8547 -0.18 8547 8545 H11 SLES 1 24.1671 19.1005 -13.785 HAL2 8544 0 0 0 0.09 8548 8546 H11 SLES 1 24.9196 17.5064 -14.2095 HAL2 8544 0 0 0 0.09 8549 8547 C12 SLES 1 24.9732 17.9909 -12.0586 CTL3 8544 8548 8549 8550 -0.27 8550 8548 H12 SLES 1 24.136 18.4958 -11.5386 HAL3 8547 0 0 0 0.09 8551 8549 H12 SLES 1 24.894 16.8903 -11.9652 HAL3 8547 0 0 0 0.09 8552 8550 H12 SLES 1 25.9084 18.2899 -11.5244 HAL3 8547 0 0 0 0.09 8553 8551 NA SLES 1 27.8794 38.2938 -27.9505 NA 0 0 0 0 1 8554 8552 S SLES 1 28.346 39.0818 -25.0633 SL 8553 8554 8555 8556 1.33 8555 8553 OS1 SLES 1 27.5131 37.869 -24.9943 OSL 8552 8557 0 0 -0.28 8556 8554 OS2 SLES 1 27.3561 39.7494 -25.8788 O2L 8552 0 0 0 -0.65 8557 8555 OS3 SLES 1 29.3685 38.3736 -25.7984 O2L 8552 0 0 0 -0.65 8558 8556 OS4 SLES 1 28.579 39.5037 -23.7107 O2L 8552 0 0 0 -0.65 8559 8557 C2 SLES 1 27.0672 37.2144 -23.8745 CC32A 8553 8558 8559 8560 -0.11 8560 8558 H2A SLES 1 26.4254 37.8892 -23.2487 HCA2 8557 0 0 0 0.09 8561 8559 H2B SLES 1 27.9281 36.8352 -23.2624 HCA2 8557 0 0 0 0.09 8562 8560 C1 SLES 1 26.2468 36.0566 -24.4826 CC32A 8557 8561 8562 8563 -0.01 8563 8561 H1B SLES 1 25.4104 36.4484 -25.1176 HCA2 8560 0 0 0 0.09 8564 8562 H1A SLES 1 26.8944 35.397 -25.1109 HCA2 8560 0 0 0 0.09 8565 8563 O1 SLES 1 25.6188 35.1597 -23.6251 OC30A 8560 8564 0 0 -0.34 8566 8564 C2 SLES 1 25.7496 35.3703 -22.231 CC32A 8563 8565 8566 8567 -0.01 8567 8565 H2A SLES 1 25.3371 36.38 -21.9452 HCA2 8564 0 0 0 0.09 8568 8566 H2B SLES 1 26.8174 35.323 -21.913 HCA2 8564 0 0 0 0.09 8569 8567 C1 SLES 1 24.7299 34.189 -22.0423 CC32A 8564 8568 8569 8570 -0.01 8570 8568 H1B SLES 1 24.0281 34.8667 -21.5385 HCA2 8567 0 0 0 0.09 8571 8569 H1A SLES 1 25.661 33.7131 -21.5636 HCA2 8567 0 0 0 0.09 8572 8570 O1 SLES 1 24.1567 33.0067 -21.5467 OC30A 8567 8571 0 0 -0.34 8573 8571 C1 SLES 1 23.9281 32.9076 -20.1482 CTL2 8570 8572 8573 8574 -0.18 8574 8572 H11 SLES 1 23.4287 33.7933 -19.6649 HAL2 8571 0 0 0 0.09 8575 8573 H12 SLES 1 24.8927 32.7393 -19.6063 HAL2 8571 0 0 0 0.09 8576 8574 C2 SLES 1 23.0291 31.672 -20.1347 CTL2 8571 8575 8576 8577 -0.18 8577 8575 H21 SLES 1 22.0369 31.8381 -20.6191 HAL2 8574 0 0 0 0.09 8578 8576 H22 SLES 1 23.511 30.7743 -20.5931 HAL2 8574 0 0 0 0.09 8579 8577 C3 SLES 1 22.8303 31.4244 -18.6941 CTL2 8574 8578 8579 8580 -0.18 8580 8578 H31 SLES 1 22.3487 32.3622 -18.3042 HAL2 8577 0 0 0 0.09 8581 8579 H32 SLES 1 23.8657 31.274 -18.2804 HAL2 8577 0 0 0 0.09 8582 8580 C4 SLES 1 22.0037 30.277 -18.2109 CTL2 8577 8581 8582 8583 -0.18 8583 8581 H41 SLES 1 20.9501 30.3516 -18.5771 HAL2 8580 0 0 0 0.09 8584 8582 H42 SLES 1 22.4204 29.3016 -18.5558 HAL2 8580 0 0 0 0.09 8585 8583 C5 SLES 1 22.1568 30.522 -16.7037 CTL2 8580 8584 8585 8586 -0.18 8586 8584 H51 SLES 1 21.788 31.5468 -16.4322 HAL2 8583 0 0 0 0.09 8587 8585 H52 SLES 1 23.2398 30.5083 -16.4114 HAL2 8583 0 0 0 0.09 8588 8586 C6 SLES 1 21.4747 29.5865 -15.8022 CTL2 8583 8587 8588 8589 -0.18 8589 8587 H61 SLES 1 20.8112 30.2113 -15.1448 HAL2 8586 0 0 0 0.09 8590 8588 H62 SLES 1 22.2669 29.1697 -15.1239 HAL2 8586 0 0 0 0.09 8591 8589 C7 SLES 1 20.6742 28.4533 -16.4553 CTL2 8586 8590 8591 8592 -0.18 8592 8590 H71 SLES 1 19.8192 28.8039 -17.0803 HAL2 8589 0 0 0 0.09 8593 8591 H72 SLES 1 21.293 27.7495 -17.0589 HAL2 8589 0 0 0 0.09 8594 8592 C8 SLES 1 20.1748 27.782 -15.2274 CTL2 8589 8593 8594 8595 -0.18 8595 8593 H81 SLES 1 19.582 28.555 -14.6623 HAL2 8592 0 0 0 0.09 8596 8594 H82 SLES 1 21.0881 27.4787 -14.6405 HAL2 8592 0 0 0 0.09 8597 8595 C9 SLES 1 19.3118 26.5728 -15.3264 CTL2 8592 8596 8597 8598 -0.18 8598 8596 H91 SLES 1 18.3755 26.8128 -15.8782 HAL2 8595 0 0 0 0.09 8599 8597 H92 SLES 1 19.8527 25.7568 -15.8563 HAL2 8595 0 0 0 0.09 8600 8598 C10 SLES 1 19.0812 26.2806 -13.8452 CTL2 8595 8599 8600 8601 -0.18 8601 8599 H10 SLES 1 18.6011 27.168 -13.351 HAL2 8598 0 0 0 0.09 8602 8600 H10 SLES 1 20.0671 26.1198 -13.3298 HAL2 8598 0 0 0 0.09 8603 8601 C11 SLES 1 18.2255 25.0893 -13.5605 CTL2 8598 8602 8603 8604 -0.18 8604 8602 H11 SLES 1 17.2412 25.262 -14.0549 HAL2 8601 0 0 0 0.09 8605 8603 H11 SLES 1 18.7159 24.2074 -14.034 HAL2 8601 0 0 0 0.09 8606 8604 C12 SLES 1 18.0816 24.9198 -12.0455 CTL3 8601 8605 8606 8607 -0.27 8607 8605 H12 SLES 1 17.0172 25.0068 -11.7532 HAL3 8604 0 0 0 0.09 8608 8606 H12 SLES 1 18.5023 23.9447 -11.7312 HAL3 8604 0 0 0 0.09 8609 8607 H12 SLES 1 18.6353 25.705 -11.4742 HAL3 8604 0 0 0 0.09 8610 8608 NA SLES 1 15.3082 44.9051 -27.8589 NA 0 0 0 0 1 8611 8609 S SLES 1 14.645 45.9731 -25.1032 SL 8610 8611 8612 8613 1.33 8612 8610 OS1 SLES 1 14.4829 44.5134 -24.992 OSL 8609 8614 0 0 -0.28 8613 8611 OS2 SLES 1 13.6872 46.0255 -26.1852 O2L 8609 0 0 0 -0.65 8614 8612 OS3 SLES 1 16.0223 45.8189 -25.5114 O2L 8609 0 0 0 -0.65 8615 8613 OS4 SLES 1 14.322 46.5264 -23.8182 O2L 8609 0 0 0 -0.65 8616 8614 C2 SLES 1 14.1382 43.7851 -23.8821 CC32A 8610 8615 8616 8617 -0.11 8617 8615 H2A SLES 1 13.127 44.0911 -23.5041 HCA2 8614 0 0 0 0.09 8618 8616 H2B SLES 1 14.9007 43.9096 -23.0681 HCA2 8614 0 0 0 0.09 8619 8617 C1 SLES 1 14.1239 42.3432 -24.4338 CC32A 8614 8618 8619 8620 -0.01 8620 8618 H1B SLES 1 13.3817 42.2404 -25.2675 HCA2 8617 0 0 0 0.09 8621 8619 H1A SLES 1 15.1335 42.0532 -24.8156 HCA2 8617 0 0 0 0.09 8622 8620 O1 SLES 1 13.7998 41.3008 -23.5721 OC30A 8617 8621 0 0 -0.34 8623 8621 C2 SLES 1 13.4781 41.6224 -22.2313 CC32A 8620 8622 8623 8624 -0.01 8624 8622 H2A SLES 1 12.5883 42.3141 -22.1952 HCA2 8621 0 0 0 0.09 8625 8623 H2B SLES 1 14.3333 42.1215 -21.7184 HCA2 8621 0 0 0 0.09 8626 8624 C1 SLES 1 13.1134 40.1049 -22.0436 CC32A 8621 8625 8626 8627 -0.01 8627 8625 H1B SLES 1 12.0791 40.3776 -21.7954 HCA2 8624 0 0 0 0.09 8628 8626 H1A SLES 1 14.0128 40.1726 -21.3303 HCA2 8624 0 0 0 0.09 8629 8627 O1 SLES 1 13.0557 38.8218 -21.476 OC30A 8624 8628 0 0 -0.34 8630 8628 C1 SLES 1 12.5707 38.698 -20.1466 CTL2 8627 8629 8630 8631 -0.18 8631 8629 H11 SLES 1 11.6172 39.2497 -19.9149 HAL2 8628 0 0 0 0.09 8632 8630 H12 SLES 1 13.3406 39.0531 -19.416 HAL2 8628 0 0 0 0.09 8633 8631 C2 SLES 1 12.3762 37.1832 -20.0977 CTL2 8628 8632 8633 8634 -0.18 8634 8632 H21 SLES 1 11.5702 36.8157 -20.7773 HAL2 8631 0 0 0 0.09 8635 8633 H22 SLES 1 13.3146 36.6138 -20.3065 HAL2 8631 0 0 0 0.09 8636 8634 C3 SLES 1 11.9756 36.9471 -18.6976 CTL2 8631 8635 8636 8637 -0.18 8637 8635 H31 SLES 1 11.0354 37.5478 -18.5617 HAL2 8634 0 0 0 0.09 8638 8636 H32 SLES 1 12.8283 37.3457 -18.0812 HAL2 8634 0 0 0 0.09 8639 8637 C4 SLES 1 11.6889 35.5695 -18.1946 CTL2 8634 8638 8639 8640 -0.18 8640 8638 H41 SLES 1 10.8446 35.0986 -18.756 HAL2 8637 0 0 0 0.09 8641 8639 H42 SLES 1 12.5804 34.9066 -18.2928 HAL2 8637 0 0 0 0.09 8642 8640 C5 SLES 1 11.3429 35.938 -16.7456 CTL2 8637 8641 8642 8643 -0.18 8643 8641 H51 SLES 1 10.4868 36.6634 -16.7177 HAL2 8640 0 0 0 0.09 8644 8642 H52 SLES 1 12.2017 36.4723 -16.2603 HAL2 8640 0 0 0 0.09 8645 8643 C6 SLES 1 10.9801 34.8378 -15.8449 CTL2 8640 8644 8645 8646 -0.18 8646 8644 H61 SLES 1 9.96615 35.0913 -15.4321 HAL2 8643 0 0 0 0.09 8647 8645 H62 SLES 1 11.6858 34.8994 -14.9734 HAL2 8643 0 0 0 0.09 8648 8646 C7 SLES 1 10.9822 33.4247 -16.4405 CTL2 8643 8647 8648 8649 -0.18 8649 8647 H71 SLES 1 10.241 33.2775 -17.2613 HAL2 8646 0 0 0 0.09 8650 8648 H72 SLES 1 11.9819 33.0834 -16.7966 HAL2 8646 0 0 0 0.09 8651 8649 C8 SLES 1 10.5737 32.6614 -15.233 CTL2 8646 8650 8651 8652 -0.18 8652 8650 H81 SLES 1 9.57328 33.0735 -14.9209 HAL2 8649 0 0 0 0.09 8653 8651 H82 SLES 1 11.3517 32.8762 -14.4463 HAL2 8649 0 0 0 0.09 8654 8652 C9 SLES 1 10.4246 31.1811 -15.2908 CTL2 8649 8653 8654 8655 -0.18 8655 8653 H91 SLES 1 9.648 30.9017 -16.0374 HAL2 8652 0 0 0 0.09 8656 8654 H92 SLES 1 11.3924 30.708 -15.5714 HAL2 8652 0 0 0 0.09 8657 8655 C10 SLES 1 10.0079 30.8928 -13.85 CTL2 8652 8656 8657 8658 -0.18 8658 8656 H10 SLES 1 9.06729 31.456 -13.6045 HAL2 8655 0 0 0 0.09 8659 8657 H10 SLES 1 10.7987 31.2634 -13.1424 HAL2 8655 0 0 0 0.09 8660 8658 C11 SLES 1 9.76448 29.4521 -13.5375 CTL2 8655 8659 8660 8661 -0.18 8661 8659 H11 SLES 1 8.96444 29.0937 -14.2264 HAL2 8658 0 0 0 0.09 8662 8660 H11 SLES 1 10.7063 28.8998 -13.762 HAL2 8658 0 0 0 0.09 8663 8661 C12 SLES 1 9.35647 29.3148 -12.068 CTL3 8658 8662 8663 8664 -0.27 8664 8662 H12 SLES 1 8.33882 28.8844 -11.9953 HAL3 8661 0 0 0 0.09 8665 8663 H12 SLES 1 10.0928 28.6893 -11.5267 HAL3 8661 0 0 0 0.09 8666 8664 H12 SLES 1 9.32558 30.2998 -11.5404 HAL3 8661 0 0 0 0.09 8667 8665 NA SLES 1 1.2519 47.6243 -27.6158 NA 0 0 0 0 1 8668 8666 S SLES 1 -0.48998 48.1745 -25.1998 SL 8667 8668 8669 8670 1.33 8669 8667 OS1 SLES 1 0.0356554 46.8155 -24.9852 OSL 8666 8671 0 0 -0.28 8670 8668 OS2 SLES 1 -1.06018 47.784 -26.4698 O2L 8666 0 0 0 -0.65 8671 8669 OS3 SLES 1 0.848698 48.7134 -25.2692 O2L 8666 0 0 0 -0.65 8672 8670 OS4 SLES 1 -1.34 48.4729 -24.0816 O2L 8666 0 0 0 -0.65 8673 8671 C2 SLES 1 -0.183811 45.9852 -23.9158 CC32A 8667 8672 8673 8674 -0.11 8674 8672 H2A SLES 1 -1.27696 45.7565 -23.8079 HCA2 8671 0 0 0 0.09 8675 8673 H2B SLES 1 0.203164 46.4428 -22.9669 HCA2 8671 0 0 0 0.09 8676 8674 C1 SLES 1 0.621073 44.7287 -24.3121 CC32A 8671 8675 8676 8677 -0.01 8677 8675 H1B SLES 1 0.245908 44.3005 -25.2776 HCA2 8674 0 0 0 0.09 8678 8676 H1A SLES 1 1.7063 44.9708 -24.4256 HCA2 8674 0 0 0 0.09 8679 8677 O1 SLES 1 0.6284 43.6392 -23.4477 OC30A 8674 8678 0 0 -0.34 8680 8678 C2 SLES 1 -0.124691 43.734 -22.2524 CC32A 8677 8679 8680 8681 -0.01 8681 8679 H2A SLES 1 -1.21367 43.9096 -22.4863 HCA2 8678 0 0 0 0.09 8682 8680 H2B SLES 1 0.23748 44.5714 -21.6112 HCA2 8678 0 0 0 0.09 8683 8681 C1 SLES 1 0.238069 42.2248 -22.0038 CC32A 8678 8682 8683 8684 -0.01 8684 8682 H1B SLES 1 -0.827066 41.9589 -22.0237 HCA2 8681 0 0 0 0.09 8685 8683 H1A SLES 1 0.792486 42.7011 -21.116 HCA2 8681 0 0 0 0.09 8686 8684 O1 SLES 1 0.656792 41.06 -21.3407 OC30A 8681 8685 0 0 -0.34 8687 8685 C1 SLES 1 -0.0211082 40.6863 -20.1496 CTL2 8684 8686 8687 8688 -0.18 8688 8686 H11 SLES 1 -1.1458 40.704 -20.1946 HAL2 8685 0 0 0 0.09 8689 8687 H12 SLES 1 0.28348 41.3513 -19.3025 HAL2 8685 0 0 0 0.09 8690 8688 C2 SLES 1 0.518503 39.2648 -19.9973 CTL2 8685 8689 8690 8691 -0.18 8691 8689 H21 SLES 1 0.176663 38.5703 -20.8019 HAL2 8688 0 0 0 0.09 8692 8690 H22 SLES 1 1.63312 39.2238 -19.9319 HAL2 8688 0 0 0 0.09 8693 8691 C3 SLES 1 -0.0521241 38.8317 -18.7077 CTL2 8688 8692 8693 8694 -0.18 8694 8692 H31 SLES 1 -1.16526 38.9011 -18.8473 HAL2 8691 0 0 0 0.09 8695 8693 H32 SLES 1 0.329941 39.5774 -17.9569 HAL2 8691 0 0 0 0.09 8696 8694 C4 SLES 1 0.233177 37.4752 -18.1495 CTL2 8691 8695 8696 8697 -0.18 8697 8695 H41 SLES 1 -0.121143 36.6689 -18.8381 HAL2 8694 0 0 0 0.09 8698 8696 H42 SLES 1 1.32523 37.3271 -17.9782 HAL2 8694 0 0 0 0.09 8699 8697 C5 SLES 1 -0.589096 37.5968 -16.8595 CTL2 8694 8698 8699 8700 -0.18 8700 8698 H51 SLES 1 -1.66356 37.8184 -17.0971 HAL2 8697 0 0 0 0.09 8701 8699 H52 SLES 1 -0.233893 38.4674 -16.2477 HAL2 8697 0 0 0 0.09 8702 8700 C6 SLES 1 -0.596769 36.4371 -15.9604 CTL2 8697 8701 8702 8703 -0.18 8703 8701 H61 SLES 1 -1.67606 36.1602 -15.8143 HAL2 8700 0 0 0 0.09 8704 8702 H62 SLES 1 -0.242321 36.8108 -14.9625 HAL2 8700 0 0 0 0.09 8705 8703 C7 SLES 1 0.219079 35.2147 -16.3985 CTL2 8700 8704 8705 8706 -0.18 8706 8704 H71 SLES 1 -0.137471 34.7478 -17.3468 HAL2 8703 0 0 0 0.09 8707 8705 H72 SLES 1 1.31388 35.4065 -16.4842 HAL2 8703 0 0 0 0.09 8708 8706 C8 SLES 1 -0.0617829 34.3208 -15.2454 CTL2 8703 8707 8708 8709 -0.18 8709 8707 H81 SLES 1 -1.1799 34.1918 -15.2093 HAL2 8706 0 0 0 0.09 8710 8708 H82 SLES 1 0.302254 34.8656 -14.3283 HAL2 8706 0 0 0 0.09 8711 8709 C9 SLES 1 0.526095 32.954 -15.1897 CTL2 8706 8710 8711 8712 -0.18 8712 8710 H91 SLES 1 0.183926 32.3524 -16.0612 HAL2 8709 0 0 0 0.09 8713 8711 H92 SLES 1 1.63769 33.0131 -15.1965 HAL2 8709 0 0 0 0.09 8714 8712 C10 SLES 1 -0.0435056 32.4665 -13.8591 CTL2 8709 8713 8714 8715 -0.18 8715 8713 H10 SLES 1 -1.1661 32.5002 -13.8889 HAL2 8712 0 0 0 0.09 8716 8714 H10 SLES 1 0.277096 33.1557 -13.031 HAL2 8712 0 0 0 0.09 8717 8715 C11 SLES 1 0.355008 31.0801 -13.4696 CTL2 8712 8716 8717 8718 -0.18 8718 8716 H11 SLES 1 0.0162057 30.3967 -14.2828 HAL2 8715 0 0 0 0.09 8719 8717 H11 SLES 1 1.46831 31.0561 -13.4202 HAL2 8715 0 0 0 0.09 8720 8718 C12 SLES 1 -0.285688 30.7283 -12.124 CTL3 8715 8719 8720 8721 -0.27 8721 8719 H12 SLES 1 -0.961353 29.8589 -12.2411 HAL3 8718 0 0 0 0.09 8722 8720 H12 SLES 1 0.500563 30.523 -11.3716 HAL3 8718 0 0 0 0.09 8723 8721 H12 SLES 1 -0.906853 31.5635 -11.7164 HAL3 8718 0 0 0 0.09 8724 8722 NA SLES 1 -13.1891 46.0889 -27.2451 NA 0 0 0 0 1 8725 8723 S SLES 1 -15.4744 45.5098 -25.3435 SL 8724 8725 8726 8727 1.33 8726 8724 OS1 SLES 1 -14.4225 44.5471 -24.9745 OSL 8723 8728 0 0 -0.28 8727 8725 OS2 SLES 1 -15.4818 45.023 -26.705 O2L 8723 0 0 0 -0.65 8728 8726 OS3 SLES 1 -14.5856 46.6214 -25.0953 O2L 8723 0 0 0 -0.65 8729 8727 OS4 SLES 1 -16.5903 45.2593 -24.4752 O2L 8723 0 0 0 -0.65 8730 8728 C2 SLES 1 -14.4493 43.6113 -23.9722 CC32A 8724 8729 8730 8731 -0.11 8731 8729 H2A SLES 1 -15.2886 42.8835 -24.1302 HCA2 8728 0 0 0 0.09 8732 8730 H2B SLES 1 -14.5568 44.1017 -22.9685 HCA2 8728 0 0 0 0.09 8733 8731 C1 SLES 1 -13.0726 42.9305 -24.1293 CC32A 8728 8732 8733 8734 -0.01 8734 8732 H1B SLES 1 -12.9655 42.473 -25.1469 HCA2 8731 0 0 0 0.09 8735 8733 H1A SLES 1 -12.2452 43.6667 -23.979 HCA2 8731 0 0 0 0.09 8736 8734 O1 SLES 1 -12.7361 41.895 -23.264 OC30A 8731 8735 0 0 -0.34 8737 8735 C2 SLES 1 -13.6892 41.5045 -22.2924 CC32A 8734 8736 8737 8738 -0.01 8738 8736 H2A SLES 1 -14.6427 41.1664 -22.7902 HCA2 8735 0 0 0 0.09 8739 8737 H2B SLES 1 -13.9313 42.346 -21.6019 HCA2 8735 0 0 0 0.09 8740 8738 C1 SLES 1 -12.7104 40.3301 -21.9268 CC32A 8735 8739 8740 8741 -0.01 8741 8739 H1B SLES 1 -13.4791 39.5955 -22.201 HCA2 8738 0 0 0 0.09 8742 8740 H1A SLES 1 -12.6714 40.922 -20.9417 HCA2 8738 0 0 0 0.09 8743 8741 O1 SLES 1 -11.9439 39.4429 -21.154 OC30A 8738 8742 0 0 -0.34 8744 8742 C1 SLES 1 -12.6064 38.6781 -20.1569 CTL2 8741 8743 8744 8745 -0.18 8745 8743 H11 SLES 1 -13.5567 38.1663 -20.4767 HAL2 8742 0 0 0 0.09 8746 8744 H12 SLES 1 -12.8607 39.3212 -19.277 HAL2 8742 0 0 0 0.09 8747 8745 C2 SLES 1 -11.4985 37.6735 -19.8434 CTL2 8742 8746 8747 8748 -0.18 8748 8746 H21 SLES 1 -11.2711 36.9828 -20.6907 HAL2 8745 0 0 0 0.09 8749 8747 H22 SLES 1 -10.5501 38.1581 -19.5058 HAL2 8745 0 0 0 0.09 8750 8748 C3 SLES 1 -12.0639 36.8978 -18.7232 CTL2 8745 8749 8750 8751 -0.18 8751 8749 H31 SLES 1 -13.0079 36.4459 -19.1331 HAL2 8748 0 0 0 0.09 8752 8750 H32 SLES 1 -12.2697 37.6577 -17.9195 HAL2 8748 0 0 0 0.09 8753 8751 C4 SLES 1 -11.2942 35.79 -18.0802 CTL2 8748 8752 8753 8754 -0.18 8754 8752 H41 SLES 1 -11.0497 34.984 -18.8154 HAL2 8751 0 0 0 0.09 8755 8753 H42 SLES 1 -10.3371 36.1598 -17.643 HAL2 8751 0 0 0 0.09 8756 8754 C5 SLES 1 -12.3401 35.3809 -17.0344 CTL2 8751 8755 8756 8757 -0.18 8757 8755 H51 SLES 1 -13.3027 35.0903 -17.5334 HAL2 8754 0 0 0 0.09 8758 8756 H52 SLES 1 -12.5976 36.2511 -16.3749 HAL2 8754 0 0 0 0.09 8759 8757 C6 SLES 1 -11.9903 34.2734 -16.1375 CTL2 8754 8758 8759 8760 -0.18 8760 8758 H61 SLES 1 -12.8033 33.5064 -16.2539 HAL2 8757 0 0 0 0.09 8761 8759 H62 SLES 1 -12.096 34.6703 -15.0922 HAL2 8757 0 0 0 0.09 8762 8760 C7 SLES 1 -10.6113 33.6319 -16.3331 CTL2 8757 8761 8762 8763 -0.18 8763 8761 H71 SLES 1 -10.4737 33.1475 -17.3287 HAL2 8760 0 0 0 0.09 8764 8762 H72 SLES 1 -9.75787 34.3259 -16.1524 HAL2 8760 0 0 0 0.09 8765 8763 C8 SLES 1 -10.6783 32.603 -15.2633 CTL2 8760 8764 8765 8766 -0.18 8766 8764 H81 SLES 1 -11.5706 31.9578 -15.4994 HAL2 8763 0 0 0 0.09 8767 8765 H82 SLES 1 -10.8401 33.162 -14.2981 HAL2 8763 0 0 0 0.09 8768 8766 C9 SLES 1 -9.53409 31.6786 -15.0329 CTL2 8763 8767 8768 8769 -0.18 8769 8767 H91 SLES 1 -9.33666 31.0756 -15.9472 HAL2 8766 0 0 0 0.09 8770 8768 H92 SLES 1 -8.62022 32.2566 -14.7684 HAL2 8766 0 0 0 0.09 8771 8769 C10 SLES 1 -10.0816 30.8516 -13.8714 CTL2 8766 8770 8771 8772 -0.18 8772 8770 H10 SLES 1 -11.0412 30.3533 -14.1763 HAL2 8769 0 0 0 0.09 8773 8771 H10 SLES 1 -10.3297 31.5254 -13.0065 HAL2 8769 0 0 0 0.09 8774 8772 C11 SLES 1 -9.16354 29.7878 -13.3635 CTL2 8769 8773 8774 8775 -0.18 8775 8773 H11 SLES 1 -8.93701 29.109 -14.2185 HAL2 8772 0 0 0 0.09 8776 8774 H11 SLES 1 -8.22085 30.2883 -13.042 HAL2 8772 0 0 0 0.09 8777 8775 C12 SLES 1 -9.84007 29.0446 -12.2081 CTL3 8772 8776 8777 8778 -0.27 8778 8776 H12 SLES 1 -9.96615 27.9754 -12.4667 HAL3 8775 0 0 0 0.09 8779 8777 H12 SLES 1 -9.24547 29.1626 -11.2813 HAL3 8775 0 0 0 0.09 8780 8778 H12 SLES 1 -10.8607 29.4422 -11.9851 HAL3 8775 0 0 0 0.09 8781 8779 NA SLES 1 -26.7673 40.2093 -26.7829 NA 0 0 0 0 1 8782 8780 S SLES 1 -28.7813 38.3321 -25.5203 SL 8781 8782 8783 8784 1.33 8783 8781 OS1 SLES 1 -27.4814 37.9235 -24.9611 OSL 8780 8785 0 0 -0.28 8784 8782 OS2 SLES 1 -28.298 38.1273 -26.8676 O2L 8780 0 0 0 -0.65 8785 8783 OS3 SLES 1 -28.6146 39.6722 -25.0068 O2L 8780 0 0 0 -0.65 8786 8784 OS4 SLES 1 -29.7694 37.4535 -24.9605 O2L 8780 0 0 0 -0.65 8787 8785 C2 SLES 1 -27.2305 36.9332 -24.046 CC32A 8781 8786 8787 8788 -0.11 8788 8786 H2A SLES 1 -27.5599 35.9355 -24.4397 HCA2 8785 0 0 0 0.09 8789 8787 H2B SLES 1 -27.7476 37.1461 -23.0729 HCA2 8785 0 0 0 0.09 8790 8788 C1 SLES 1 -25.695 37.0068 -23.9034 CC32A 8785 8789 8790 8791 -0.01 8791 8789 H1B SLES 1 -25.1919 36.8246 -24.8883 HCA2 8788 0 0 0 0.09 8792 8790 H1A SLES 1 -25.3786 38.0077 -23.5195 HCA2 8788 0 0 0 0.09 8793 8791 O1 SLES 1 -25.0606 36.1211 -23.039 OC30A 8788 8792 0 0 -0.34 8794 8792 C2 SLES 1 -25.8604 35.1795 -22.3473 CC32A 8791 8793 8794 8795 -0.01 8795 8793 H2A SLES 1 -26.4153 34.5231 -23.0771 HCA2 8792 0 0 0 0.09 8796 8794 H2B SLES 1 -26.6064 35.6863 -21.6915 HCA2 8792 0 0 0 0.09 8797 8795 C1 SLES 1 -24.5184 34.5532 -21.8202 CC32A 8792 8796 8797 8798 -0.01 8798 8796 H1B SLES 1 -24.7629 33.6013 -22.3099 HCA2 8795 0 0 0 0.09 8799 8797 H1A SLES 1 -24.9569 34.9256 -20.8245 HCA2 8795 0 0 0 0.09 8800 8798 O1 SLES 1 -23.5732 34.0116 -20.9341 OC30A 8795 8799 0 0 -0.34 8801 8799 C1 SLES 1 -23.9468 32.8753 -20.1678 CTL2 8798 8800 8801 8802 -0.18 8802 8800 H11 SLES 1 -24.4466 32.0402 -20.7336 HAL2 8799 0 0 0 0.09 8803 8801 H12 SLES 1 -24.6409 33.173 -19.3419 HAL2 8799 0 0 0 0.09 8804 8802 C2 SLES 1 -22.5684 32.4654 -19.6511 CTL2 8799 8803 8804 8805 -0.18 8805 8803 H21 SLES 1 -21.88 32.1084 -20.4544 HAL2 8802 0 0 0 0.09 8806 8804 H22 SLES 1 -22.0602 33.273 -19.07 HAL2 8802 0 0 0 0.09 8807 8805 C3 SLES 1 -22.8766 31.3446 -18.7427 CTL2 8802 8806 8807 8808 -0.18 8808 8806 H31 SLES 1 -23.3839 30.5793 -19.391 HAL2 8805 0 0 0 0.09 8809 8807 H32 SLES 1 -23.5726 31.7788 -17.9727 HAL2 8805 0 0 0 0.09 8810 8808 C4 SLES 1 -21.7966 30.6338 -17.9935 CTL2 8805 8809 8810 8811 -0.18 8811 8809 H41 SLES 1 -21.0577 30.1663 -18.6901 HAL2 8808 0 0 0 0.09 8812 8810 H42 SLES 1 -21.243 31.3293 -17.3198 HAL2 8808 0 0 0 0.09 8813 8811 C5 SLES 1 -22.6802 29.6207 -17.2532 CTL2 8808 8812 8813 8814 -0.18 8814 8812 H51 SLES 1 -23.2658 29.0016 -17.9837 HAL2 8811 0 0 0 0.09 8815 8813 H52 SLES 1 -23.4475 30.1504 -16.6296 HAL2 8811 0 0 0 0.09 8816 8814 C6 SLES 1 -22.0049 28.6734 -16.3588 CTL2 8811 8815 8816 8817 -0.18 8817 8815 H61 SLES 1 -22.3002 27.6469 -16.7079 HAL2 8814 0 0 0 0.09 8818 8816 H62 SLES 1 -22.4822 28.7989 -15.3499 HAL2 8814 0 0 0 0.09 8819 8817 C7 SLES 1 -20.4795 28.7885 -16.251 CTL2 8814 8818 8819 8820 -0.18 8820 8818 H71 SLES 1 -19.9413 28.5936 -17.2085 HAL2 8817 0 0 0 0.09 8821 8819 H72 SLES 1 -20.1258 29.7598 -15.8335 HAL2 8817 0 0 0 0.09 8822 8820 C8 SLES 1 -20.2297 27.6875 -15.285 CTL2 8817 8821 8822 8823 -0.18 8823 8821 H81 SLES 1 -20.6302 26.7497 -15.7628 HAL2 8820 0 0 0 0.09 8824 8822 H82 SLES 1 -20.8195 27.9411 -14.3586 HAL2 8820 0 0 0 0.09 8825 8823 C9 SLES 1 -18.8444 27.3778 -14.8358 CTL2 8820 8824 8825 8826 -0.18 8826 8824 H91 SLES 1 -18.2121 27.0942 -15.7066 HAL2 8823 0 0 0 0.09 8827 8825 H92 SLES 1 -18.3979 28.2626 -14.3289 HAL2 8823 0 0 0 0.09 8828 8826 C10 SLES 1 -19.1199 26.214 -13.8858 CTL2 8823 8827 8828 8829 -0.18 8829 8827 H10 SLES 1 -19.637 25.3839 -14.4386 HAL2 8826 0 0 0 0.09 8830 8828 H10 SLES 1 -19.8209 26.5437 -13.0713 HAL2 8826 0 0 0 0.09 8831 8829 C11 SLES 1 -17.9101 25.6325 -13.2294 CTL2 8826 8830 8831 8832 -0.18 8832 8830 H11 SLES 1 -17.2268 25.2868 -14.0398 HAL2 8829 0 0 0 0.09 8833 8831 H11 SLES 1 -17.4115 26.4539 -12.6646 HAL2 8829 0 0 0 0.09 8834 8832 C12 SLES 1 -18.3354 24.4826 -12.3119 CTL3 8829 8833 8834 8835 -0.27 8835 8833 H12 SLES 1 -17.8712 23.5359 -12.6498 HAL3 8832 0 0 0 0.09 8836 8834 H12 SLES 1 -18.0576 24.7106 -11.2644 HAL3 8832 0 0 0 0.09 8837 8835 H12 SLES 1 -19.4409 24.3175 -12.32 HAL3 8832 0 0 0 0.09 8838 8836 NA SLES 1 -38.1471 30.2692 -26.2746 NA 0 0 0 0 1 8839 8837 S SLES 1 -39.1136 27.4541 -25.713 SL 8838 8839 8840 8841 1.33 8840 8838 OS1 SLES 1 -37.8629 27.5844 -24.9461 OSL 8837 8842 0 0 -0.28 8841 8839 OS2 SLES 1 -38.4281 27.7872 -26.9417 O2L 8837 0 0 0 -0.65 8842 8840 OS3 SLES 1 -39.6949 28.5761 -25.0124 O2L 8837 0 0 0 -0.65 8843 8841 OS4 SLES 1 -39.6013 26.1221 -25.4899 O2L 8837 0 0 0 -0.65 8844 8842 C2 SLES 1 -37.273 26.6534 -24.1297 CC32A 8838 8843 8844 8845 -0.11 8845 8843 H2A SLES 1 -37.0155 25.7257 -24.7059 HCA2 8842 0 0 0 0.09 8846 8844 H2B SLES 1 -37.9448 26.3913 -23.2697 HCA2 8842 0 0 0 0.09 8847 8845 C1 SLES 1 -36.005 27.3962 -23.6564 CC32A 8842 8846 8847 8848 -0.01 8848 8846 H1B SLES 1 -35.3589 27.6809 -24.527 HCA2 8845 0 0 0 0.09 8849 8847 H1A SLES 1 -36.274 28.3228 -23.0922 HCA2 8845 0 0 0 0.09 8850 8848 O1 SLES 1 -35.1301 26.7434 -22.7947 OC30A 8845 8849 0 0 -0.34 8851 8849 C2 SLES 1 -35.4411 25.4162 -22.4118 CC32A 8848 8850 8851 8852 -0.01 8852 8850 H2A SLES 1 -35.5041 24.7494 -23.3189 HCA2 8849 0 0 0 0.09 8853 8851 H2B SLES 1 -36.4153 25.3686 -21.8712 HCA2 8849 0 0 0 0.09 8854 8852 C1 SLES 1 -34.0427 25.3853 -21.6944 CC32A 8849 8853 8854 8855 -0.01 8855 8853 H1B SLES 1 -33.7228 24.5566 -22.3398 HCA2 8852 0 0 0 0.09 8856 8854 H1A SLES 1 -34.7283 25.2919 -20.7759 HCA2 8852 0 0 0 0.09 8857 8855 O1 SLES 1 -33.0726 25.1677 -20.7027 OC30A 8852 8856 0 0 -0.34 8858 8856 C1 SLES 1 -32.9299 23.854 -20.1813 CTL2 8855 8857 8858 8859 -0.18 8859 8857 H11 SLES 1 -32.8779 23.0241 -20.9401 HAL2 8856 0 0 0 0.09 8860 8858 H12 SLES 1 -33.7775 23.6143 -19.4909 HAL2 8856 0 0 0 0.09 8861 8859 C2 SLES 1 -31.6056 24.0284 -19.4392 CTL2 8856 8860 8861 8862 -0.18 8862 8860 H21 SLES 1 -30.7365 24.2098 -20.1162 HAL2 8859 0 0 0 0.09 8863 8861 H22 SLES 1 -31.6388 24.8354 -18.6672 HAL2 8859 0 0 0 0.09 8864 8862 C3 SLES 1 -31.432 22.7282 -18.7642 CTL2 8859 8863 8864 8865 -0.18 8865 8863 H31 SLES 1 -31.4105 21.9724 -19.5959 HAL2 8862 0 0 0 0.09 8866 8864 H32 SLES 1 -32.3415 22.617 -18.1114 HAL2 8862 0 0 0 0.09 8867 8865 C4 SLES 1 -30.2453 22.4563 -17.8977 CTL2 8862 8866 8867 8868 -0.18 8868 8866 H41 SLES 1 -29.2916 22.5431 -18.4745 HAL2 8865 0 0 0 0.09 8869 8867 H42 SLES 1 -30.1957 23.168 -17.0404 HAL2 8865 0 0 0 0.09 8870 8868 C5 SLES 1 -30.5992 21.0186 -17.4943 CTL2 8865 8869 8870 8871 -0.18 8871 8869 H51 SLES 1 -30.7069 20.3698 -18.404 HAL2 8868 0 0 0 0.09 8872 8870 H52 SLES 1 -31.599 20.9877 -16.9866 HAL2 8868 0 0 0 0.09 8873 8871 C6 SLES 1 -29.6625 20.3252 -16.6026 CTL2 8868 8872 8873 8874 -0.18 8874 8872 H61 SLES 1 -29.3671 19.379 -17.132 HAL2 8871 0 0 0 0.09 8875 8873 H62 SLES 1 -30.2615 19.9986 -15.7104 HAL2 8871 0 0 0 0.09 8876 8874 C7 SLES 1 -28.4194 21.1063 -16.16 CTL2 8871 8875 8876 8877 -0.18 8877 8875 H71 SLES 1 -27.7402 21.3905 -16.9982 HAL2 8874 0 0 0 0.09 8878 8876 H72 SLES 1 -28.6458 22.0175 -15.559 HAL2 8874 0 0 0 0.09 8879 8877 C8 SLES 1 -27.7822 20.0688 -15.3084 CTL2 8874 8878 8879 8880 -0.18 8880 8878 H81 SLES 1 -27.6051 19.1776 -15.9736 HAL2 8877 0 0 0 0.09 8881 8879 H82 SLES 1 -28.5309 19.818 -14.504 HAL2 8877 0 0 0 0.09 8882 8880 C9 SLES 1 -26.4929 20.347 -14.6177 CTL2 8877 8881 8882 8883 -0.18 8883 8881 H91 SLES 1 -25.6998 20.5799 -15.3629 HAL2 8880 0 0 0 0.09 8884 8882 H92 SLES 1 -26.6079 21.2076 -13.9211 HAL2 8880 0 0 0 0.09 8885 8883 C10 SLES 1 -26.2752 19.0161 -13.9008 CTL2 8880 8884 8885 8886 -0.18 8886 8884 H10 SLES 1 -26.2421 18.1796 -14.6501 HAL2 8883 0 0 0 0.09 8887 8885 H10 SLES 1 -27.1431 18.8031 -13.2191 HAL2 8883 0 0 0 0.09 8888 8886 C11 SLES 1 -25.0289 18.9352 -13.0807 CTL2 8883 8887 8888 8889 -0.18 8889 8887 H11 SLES 1 -24.1688 19.1253 -13.7642 HAL2 8886 0 0 0 0.09 8890 8888 H11 SLES 1 -25.0751 19.753 -12.3247 HAL2 8886 0 0 0 0.09 8891 8889 C12 SLES 1 -24.9429 17.5538 -12.4254 CTL3 8886 8890 8891 8892 -0.27 8892 8890 H12 SLES 1 -24.0342 17.0249 -12.7727 HAL3 8889 0 0 0 0.09 8893 8891 H12 SLES 1 -24.947 17.6561 -11.3226 HAL3 8889 0 0 0 0.09 8894 8892 H12 SLES 1 -25.8123 16.9024 -12.6885 HAL3 8889 0 0 0 0.09 8895 8893 NA SLES 1 -46.0377 17.0095 -25.7699 NA 0 0 0 0 1 8896 8894 S SLES 1 -45.5292 14.0266 -25.9025 SL 8895 8896 8897 8898 1.33 8897 8895 OS1 SLES 1 -44.5456 14.5349 -24.9311 OSL 8894 8899 0 0 -0.28 8898 8896 OS2 SLES 1 -45.0305 14.9246 -26.9201 O2L 8894 0 0 0 -0.65 8899 8897 OS3 SLES 1 -46.622 14.5436 -25.1115 O2L 8894 0 0 0 -0.65 8900 8898 OS4 SLES 1 -45.3126 12.6113 -26.0116 O2L 8894 0 0 0 -0.65 8901 8899 C2 SLES 1 -43.6197 13.8197 -24.2153 CC32A 8895 8900 8901 8902 -0.11 8902 8900 H2A SLES 1 -42.9103 13.2877 -24.9028 HCA2 8899 0 0 0 0.09 8903 8901 H2B SLES 1 -44.1215 13.0771 -23.5399 HCA2 8899 0 0 0 0.09 8904 8902 C1 SLES 1 -42.9056 14.9285 -23.4127 CC32A 8899 8903 8904 8905 -0.01 8905 8903 H1B SLES 1 -42.4366 15.6809 -24.0984 HCA2 8902 0 0 0 0.09 8906 8904 H1A SLES 1 -43.6237 15.4571 -22.7388 HCA2 8902 0 0 0 0.09 8907 8905 O1 SLES 1 -41.8704 14.572 -22.5551 OC30A 8902 8906 0 0 -0.34 8908 8906 C2 SLES 1 -41.511 13.2046 -22.4795 CC32A 8905 8907 8908 8909 -0.01 8909 8907 H2A SLES 1 -41.1908 12.8253 -23.492 HCA2 8906 0 0 0 0.09 8910 8908 H2B SLES 1 -42.3641 12.581 -22.1234 HCA2 8906 0 0 0 0.09 8911 8909 C1 SLES 1 -40.3174 13.6561 -21.5617 CC32A 8906 8910 8911 8912 -0.01 8912 8910 H1B SLES 1 -39.5986 13.2541 -22.2878 HCA2 8909 0 0 0 0.09 8913 8911 H1A SLES 1 -40.9171 13.0368 -20.8006 HCA2 8909 0 0 0 0.09 8914 8912 O1 SLES 1 -39.4196 13.6834 -20.4823 OC30A 8909 8913 0 0 -0.34 8915 8913 C1 SLES 1 -38.6794 12.5052 -20.196 CTL2 8912 8914 8915 8916 -0.18 8916 8914 H11 SLES 1 -38.187 12.0048 -21.076 HAL2 8913 0 0 0 0.09 8917 8915 H12 SLES 1 -39.3362 11.7408 -19.7094 HAL2 8913 0 0 0 0.09 8918 8916 C2 SLES 1 -37.6522 13.0913 -19.2284 CTL2 8913 8917 8918 8919 -0.18 8919 8917 H21 SLES 1 -36.9487 13.8128 -19.7093 HAL2 8916 0 0 0 0.09 8920 8918 H22 SLES 1 -38.1176 13.5778 -18.3367 HAL2 8916 0 0 0 0.09 8921 8919 C3 SLES 1 -36.9 11.902 -18.7857 CTL2 8916 8920 8921 8922 -0.18 8922 8920 H31 SLES 1 -36.4665 11.4681 -19.7276 HAL2 8919 0 0 0 0.09 8923 8921 H32 SLES 1 -37.6716 11.2273 -18.322 HAL2 8919 0 0 0 0.09 8924 8922 C4 SLES 1 -35.7803 12.0139 -17.8023 CTL2 8919 8923 8924 8925 -0.18 8925 8923 H41 SLES 1 -34.9623 12.6701 -18.1897 HAL2 8922 0 0 0 0.09 8926 8924 H42 SLES 1 -36.1316 12.4372 -16.8321 HAL2 8922 0 0 0 0.09 8927 8925 C5 SLES 1 -35.4052 10.5274 -17.7343 CTL2 8922 8926 8927 8928 -0.18 8928 8926 H51 SLES 1 -35.1326 10.1433 -18.7533 HAL2 8925 0 0 0 0.09 8929 8927 H52 SLES 1 -36.287 9.91398 -17.4111 HAL2 8925 0 0 0 0.09 8930 8928 C6 SLES 1 -34.298 10.1579 -16.8451 CTL2 8925 8929 8930 8931 -0.18 8931 8929 H61 SLES 1 -33.549 9.6164 -17.4844 HAL2 8928 0 0 0 0.09 8932 8930 H62 SLES 1 -34.7066 9.38649 -16.1384 HAL2 8928 0 0 0 0.09 8933 8931 C7 SLES 1 -33.6227 11.2951 -16.0691 CTL2 8928 8932 8933 8934 -0.18 8934 8932 H71 SLES 1 -33.1264 12.0547 -16.7182 HAL2 8931 0 0 0 0.09 8935 8933 H72 SLES 1 -34.2982 11.8216 -15.3555 HAL2 8931 0 0 0 0.09 8936 8934 C8 SLES 1 -32.6053 10.5028 -15.3311 CTL2 8931 8935 8936 8937 -0.18 8937 8935 H81 SLES 1 -31.979 9.98586 -16.1113 HAL2 8934 0 0 0 0.09 8938 8936 H82 SLES 1 -33.1767 9.74745 -14.72 HAL2 8934 0 0 0 0.09 8939 8937 C9 SLES 1 -31.6566 11.1733 -14.3999 CTL2 8934 8938 8939 8940 -0.18 8940 8938 H91 SLES 1 -31.041 11.9198 -14.9498 HAL2 8937 0 0 0 0.09 8941 8939 H92 SLES 1 -32.2155 11.6856 -13.5848 HAL2 8937 0 0 0 0.09 8942 8940 C10 SLES 1 -30.8532 9.96835 -13.9151 CTL2 8937 8941 8942 8943 -0.18 8943 8941 H10 SLES 1 -30.3746 9.45124 -14.7902 HAL2 8940 0 0 0 0.09 8944 8942 H10 SLES 1 -31.5403 9.21928 -13.4353 HAL2 8940 0 0 0 0.09 8945 8943 C11 SLES 1 -29.7728 10.2818 -12.9317 CTL2 8940 8944 8945 8946 -0.18 8946 8944 H11 SLES 1 -29.0813 11.0082 -13.4187 HAL2 8943 0 0 0 0.09 8947 8945 H11 SLES 1 -30.2541 10.7753 -12.0557 HAL2 8943 0 0 0 0.09 8948 8946 C12 SLES 1 -29.0561 8.98736 -12.5373 CTL3 8943 8947 8948 8949 -0.27 8949 8947 H12 SLES 1 -27.9877 9.04287 -12.8232 HAL3 8946 0 0 0 0.09 8950 8948 H12 SLES 1 -29.1685 8.80748 -11.4504 HAL3 8946 0 0 0 0.09 8951 8949 H12 SLES 1 -29.4793 8.0913 -13.0544 HAL3 8946 0 0 0 0.09 8952 8950 NA SLES 1 -49.3873 1.64418 -25.3182 NA 0 0 0 0 1 8953 8951 S SLES 1 -47.5064 -0.607557 -26.0705 SL 8952 8953 8954 8955 1.33 8954 8952 OS1 SLES 1 -46.8673 0.0495181 -24.9176 OSL 8951 8956 0 0 -0.28 8955 8953 OS2 SLES 1 -47.5268 0.637759 -26.805 O2L 8951 0 0 0 -0.65 8956 8954 OS3 SLES 1 -48.694 -0.880562 -25.2945 O2L 8951 0 0 0 -0.65 8957 8955 OS4 SLES 1 -46.6367 -1.67631 -26.4746 O2L 8951 0 0 0 -0.65 8958 8956 C2 SLES 1 -45.6946 -0.293442 -24.2944 CC32A 8952 8957 8958 8959 -0.11 8959 8957 H2A SLES 1 -44.8331 -0.239842 -25.0112 HCA2 8956 0 0 0 0.09 8960 8958 H2B SLES 1 -45.7599 -1.32482 -23.8568 HCA2 8956 0 0 0 0.09 8961 8959 C1 SLES 1 -45.5852 0.785828 -23.1959 CC32A 8956 8960 8961 8962 -0.01 8962 8960 H1B SLES 1 -45.5536 1.81251 -23.6445 HCA2 8959 0 0 0 0.09 8963 8961 H1A SLES 1 -46.453 0.728524 -22.4939 HCA2 8959 0 0 0 0.09 8964 8962 O1 SLES 1 -44.4864 0.763312 -22.3436 OC30A 8959 8963 0 0 -0.34 8965 8963 C2 SLES 1 -43.5104 -0.242648 -22.5438 CC32A 8962 8964 8965 8966 -0.01 8966 8964 H2A SLES 1 -43.071 -0.164001 -23.5793 HCA2 8963 0 0 0 0.09 8967 8965 H2B SLES 1 -43.9482 -1.26114 -22.4233 HCA2 8963 0 0 0 0.09 8968 8966 C1 SLES 1 -42.6613 0.478817 -21.4351 CC32A 8963 8967 8968 8969 -0.01 8969 8967 H1B SLES 1 -41.8551 0.65649 -22.159 HCA2 8966 0 0 0 0.09 8970 8968 H1A SLES 1 -42.8697 -0.515444 -20.8962 HCA2 8966 0 0 0 0.09 8971 8969 O1 SLES 1 -41.8627 0.661847 -20.2945 OC30A 8966 8970 0 0 -0.34 8972 8970 C1 SLES 1 -40.6396 -0.0556061 -20.2104 CTL2 8969 8971 8972 8973 -0.18 8973 8971 H11 SLES 1 -39.9878 -0.0306716 -21.128 HAL2 8970 0 0 0 0.09 8974 8972 H12 SLES 1 -40.8345 -1.13244 -19.9761 HAL2 8970 0 0 0 0.09 8975 8973 C2 SLES 1 -39.9998 0.688909 -19.0394 CTL2 8970 8974 8975 8976 -0.18 8976 8974 H21 SLES 1 -39.7432 1.75006 -19.2733 HAL2 8973 0 0 0 0.09 8977 8975 H22 SLES 1 -40.6209 0.661981 -18.111 HAL2 8973 0 0 0 0.09 8978 8976 C3 SLES 1 -38.757 -0.0705721 -18.805 CTL2 8973 8977 8978 8979 -0.18 8979 8977 H31 SLES 1 -38.1905 -0.00200562 -19.7734 HAL2 8976 0 0 0 0.09 8980 8978 H32 SLES 1 -39.0964 -1.1202 -18.5838 HAL2 8976 0 0 0 0.09 8981 8979 C4 SLES 1 -37.8074 0.312422 -17.7167 CTL2 8976 8980 8981 8982 -0.18 8982 8980 H41 SLES 1 -37.4167 1.34952 -17.8635 HAL2 8979 0 0 0 0.09 8983 8981 H42 SLES 1 -38.2962 0.266707 -16.7153 HAL2 8979 0 0 0 0.09 8984 8982 C5 SLES 1 -36.7603 -0.785032 -17.9497 CTL2 8979 8983 8984 8985 -0.18 8985 8983 H51 SLES 1 -36.3604 -0.731426 -18.9972 HAL2 8982 0 0 0 0.09 8986 8984 H52 SLES 1 -37.229 -1.8004 -17.8616 HAL2 8982 0 0 0 0.09 8987 8985 C6 SLES 1 -35.5914 -0.792326 -17.0625 CTL2 8982 8986 8987 8988 -0.18 8988 8986 H61 SLES 1 -34.6896 -0.739757 -17.7309 HAL2 8985 0 0 0 0.09 8989 8987 H62 SLES 1 -35.5605 -1.81162 -16.592 HAL2 8985 0 0 0 0.09 8990 8988 C7 SLES 1 -35.5303 0.29928 -15.9872 CTL2 8985 8989 8990 8991 -0.18 8991 8989 H71 SLES 1 -35.4774 1.33595 -16.396 HAL2 8988 0 0 0 0.09 8992 8990 H72 SLES 1 -36.3589 0.250531 -15.2431 HAL2 8988 0 0 0 0.09 8993 8991 C8 SLES 1 -34.2398 -0.0712677 -15.351 CTL2 8988 8992 8993 8994 -0.18 8994 8992 H81 SLES 1 -33.4605 -0.0213796 -16.1624 HAL2 8991 0 0 0 0.09 8995 8993 H82 SLES 1 -34.3614 -1.13052 -14.9854 HAL2 8991 0 0 0 0.09 8996 8994 C9 SLES 1 -33.7105 0.716524 -14.2038 CTL2 8991 8995 8996 8997 -0.18 8997 8995 H91 SLES 1 -33.5444 1.77424 -14.5077 HAL2 8994 0 0 0 0.09 8998 8996 H92 SLES 1 -34.4277 0.685989 -13.353 HAL2 8994 0 0 0 0.09 8999 8997 C10 SLES 1 -32.4142 -0.0423176 -13.9272 CTL2 8994 8998 8999 9000 -0.18 9000 8998 H10 SLES 1 -31.7664 -0.0391775 -14.8451 HAL2 8997 0 0 0 0.09 9001 8999 H10 SLES 1 -32.6433 -1.11881 -13.6988 HAL2 8997 0 0 0 0.09 9002 9000 C11 SLES 1 -31.5962 0.492708 -12.7971 CTL2 8997 9001 9002 9003 -0.18 9003 9001 H11 SLES 1 -31.3524 1.55386 -13.0372 HAL2 9000 0 0 0 0.09 9004 9002 H11 SLES 1 -32.2349 0.468091 -11.8839 HAL2 9000 0 0 0 0.09 9005 9003 C12 SLES 1 -30.3348 -0.360704 -12.6368 CTL3 9000 9004 9005 9006 -0.27 9006 9004 H12 SLES 1 -29.4329 0.261463 -12.7964 HAL3 9003 0 0 0 0.09 9007 9005 H12 SLES 1 -30.3208 -0.832578 -11.6351 HAL3 9003 0 0 0 0.09 9008 9006 H12 SLES 1 -30.2855 -1.19245 -13.3819 HAL3 9003 0 0 0 0.09 9009 9007 NA SLES 1 -47.5925 -14.2263 -24.9638 NA 0 0 0 0 1 9010 9008 S SLES 1 -44.9546 -15.055 -26.2004 SL 9009 9010 9011 9012 1.33 9011 9009 OS1 SLES 1 -44.5925 -14.451 -24.9069 OSL 9008 9013 0 0 -0.28 9012 9010 OS2 SLES 1 -45.6335 -13.845 -26.6074 O2L 9008 0 0 0 -0.65 9013 9011 OS3 SLES 1 -45.7893 -16.0342 -25.5433 O2L 9008 0 0 0 -0.65 9014 9012 OS4 SLES 1 -43.7275 -15.4488 -26.8336 O2L 9008 0 0 0 -0.65 9015 9013 C2 SLES 1 -43.3422 -14.3165 -24.3592 CC32A 9009 9014 9015 9016 -0.11 9016 9014 H2A SLES 1 -42.6835 -13.6937 -25.0204 HCA2 9013 0 0 0 0.09 9017 9015 H2B SLES 1 -42.8688 -15.3197 -24.1894 HCA2 9013 0 0 0 0.09 9018 9016 C1 SLES 1 -43.6487 -13.5983 -23.0273 CC32A 9013 9017 9018 9019 -0.01 9019 9017 H1B SLES 1 -44.1505 -12.6128 -23.2097 HCA2 9016 0 0 0 0.09 9020 9018 H1A SLES 1 -44.3126 -14.2239 -22.3816 HCA2 9016 0 0 0 0.09 9021 9019 O1 SLES 1 -42.5922 -13.2799 -22.1808 OC30A 9016 9020 0 0 -0.34 9022 9020 C2 SLES 1 -41.2815 -13.6153 -22.5985 CC32A 9019 9021 9022 9023 -0.01 9023 9021 H2A SLES 1 -41.0357 -13.103 -23.5724 HCA2 9020 0 0 0 0.09 9024 9022 H2B SLES 1 -41.1716 -14.7157 -22.7417 HCA2 9020 0 0 0 0.09 9025 9023 C1 SLES 1 -40.7702 -12.8456 -21.3269 CC32A 9020 9024 9025 9026 -0.01 9026 9024 H1B SLES 1 -40.2193 -12.1428 -21.966 HCA2 9023 0 0 0 0.09 9027 9025 H1A SLES 1 -40.4297 -13.9093 -21.0533 HCA2 9023 0 0 0 0.09 9028 9026 O1 SLES 1 -40.0454 -12.5631 -20.1578 OC30A 9023 9027 0 0 -0.34 9029 9027 C1 SLES 1 -38.6268 -12.5994 -20.2233 CTL2 9026 9028 9029 9030 -0.18 9030 9028 H11 SLES 1 -38.158 -12.0567 -21.091 HAL2 9027 0 0 0 0.09 9031 9029 H12 SLES 1 -38.2654 -13.6577 -20.2647 HAL2 9027 0 0 0 0.09 9032 9030 C2 SLES 1 -38.3036 -11.9252 -18.8906 CTL2 9027 9031 9032 9033 -0.18 9033 9031 H21 SLES 1 -38.6036 -10.8504 -18.8512 HAL2 9030 0 0 0 0.09 9034 9032 H22 SLES 1 -38.7436 -12.4572 -18.0122 HAL2 9030 0 0 0 0.09 9035 9033 C3 SLES 1 -36.8332 -12.0215 -18.8203 CTL2 9030 9034 9035 9036 -0.18 9036 9034 H31 SLES 1 -36.4646 -11.4715 -19.7286 HAL2 9033 0 0 0 0.09 9037 9035 H32 SLES 1 -36.6124 -13.1235 -18.8712 HAL2 9033 0 0 0 0.09 9038 9036 C4 SLES 1 -36.0758 -11.4851 -17.6492 CTL2 9033 9037 9038 9039 -0.18 9039 9037 H41 SLES 1 -36.2385 -10.3857 -17.528 HAL2 9036 0 0 0 0.09 9040 9038 H42 SLES 1 -36.3838 -11.9857 -16.7013 HAL2 9036 0 0 0 0.09 9041 9039 C5 SLES 1 -34.6629 -11.8563 -18.1193 CTL2 9036 9040 9041 9042 -0.18 9042 9040 H51 SLES 1 -34.441 -11.3815 -19.1119 HAL2 9039 0 0 0 0.09 9043 9041 H52 SLES 1 -34.5846 -12.9616 -18.2939 HAL2 9039 0 0 0 0.09 9044 9042 C6 SLES 1 -33.5488 -11.4991 -17.2336 CTL2 9039 9043 9044 9045 -0.18 9045 9043 H61 SLES 1 -32.8495 -10.8686 -17.8471 HAL2 9042 0 0 0 0.09 9046 9044 H62 SLES 1 -32.9935 -12.4531 -17.0267 HAL2 9042 0 0 0 0.09 9047 9045 C7 SLES 1 -33.9057 -10.7885 -15.9224 CTL2 9042 9046 9047 9048 -0.18 9048 9046 H71 SLES 1 -34.3896 -9.79325 -16.0632 HAL2 9045 0 0 0 0.09 9049 9047 H72 SLES 1 -34.5351 -11.3975 -15.2327 HAL2 9045 0 0 0 0.09 9050 9048 C8 SLES 1 -32.5379 -10.6234 -15.3661 CTL2 9045 9049 9050 9051 -0.18 9051 9049 H81 SLES 1 -31.9588 -10.0221 -16.1218 HAL2 9048 0 0 0 0.09 9052 9050 H82 SLES 1 -32.1076 -11.6611 -15.2743 HAL2 9048 0 0 0 0.09 9053 9051 C9 SLES 1 -32.3342 -9.96043 -14.0486 CTL2 9048 9052 9053 9054 -0.18 9054 9052 H91 SLES 1 -32.7187 -8.91648 -14.0799 HAL2 9051 0 0 0 0.09 9055 9053 H92 SLES 1 -32.8642 -10.5244 -13.2484 HAL2 9051 0 0 0 0.09 9056 9054 C10 SLES 1 -30.8131 -10.04 -13.9358 CTL2 9051 9055 9056 9057 -0.18 9057 9055 H10 SLES 1 -30.3375 -9.51755 -14.8094 HAL2 9054 0 0 0 0.09 9058 9056 H10 SLES 1 -30.4823 -11.1132 -13.9838 HAL2 9054 0 0 0 0.09 9059 9057 C11 SLES 1 -30.2387 -9.4478 -12.6901 CTL2 9054 9058 9059 9060 -0.18 9060 9058 H11 SLES 1 -30.5506 -8.3779 -12.6568 HAL2 9057 0 0 0 0.09 9061 9059 H11 SLES 1 -30.6967 -9.98295 -11.8262 HAL2 9057 0 0 0 0.09 9062 9060 C12 SLES 1 -28.715 -9.59794 -12.7142 CTL3 9057 9061 9062 9063 -0.27 9063 9061 H12 SLES 1 -28.235 -8.60028 -12.695 HAL3 9060 0 0 0 0.09 9064 9062 H12 SLES 1 -28.3812 -10.2168 -11.8586 HAL3 9060 0 0 0 0.09 9065 9063 H12 SLES 1 -28.3517 -10.1098 -13.6391 HAL3 9060 0 0 0 0.09 9066 9064 NA SLES 1 -40.6627 -28.8086 -24.7412 NA 0 0 0 0 1 9067 9065 S SLES 1 -38.184 -27.9939 -26.2796 SL 9066 9067 9068 9069 1.33 9068 9066 OS1 SLES 1 -37.9387 -27.5404 -24.8999 OSL 9065 9070 0 0 -0.28 9069 9067 OS2 SLES 1 -39.4039 -27.2206 -26.3469 O2L 9065 0 0 0 -0.65 9070 9068 OS3 SLES 1 -38.3476 -29.3583 -25.8337 O2L 9065 0 0 0 -0.65 9071 9069 OS4 SLES 1 -37.0365 -27.6113 -27.0533 O2L 9065 0 0 0 -0.65 9072 9070 C2 SLES 1 -36.824 -26.9141 -24.4034 CC32A 9066 9071 9072 9073 -0.11 9073 9071 H2A SLES 1 -36.6486 -25.9388 -24.9296 HCA2 9070 0 0 0 0.09 9074 9072 H2B SLES 1 -35.9178 -27.5682 -24.5053 HCA2 9070 0 0 0 0.09 9075 9073 C1 SLES 1 -37.2074 -26.6981 -22.9235 CC32A 9070 9074 9075 9076 -0.01 9076 9074 H1B SLES 1 -38.1321 -26.0707 -22.8366 HCA2 9073 0 0 0 0.09 9077 9075 H1A SLES 1 -37.3886 -27.6756 -22.4127 HCA2 9073 0 0 0 0.09 9078 9076 O1 SLES 1 -36.298 -26.0653 -22.0828 OC30A 9073 9077 0 0 -0.34 9079 9077 C2 SLES 1 -35.0698 -25.6318 -22.6381 CC32A 9076 9078 9079 9080 -0.01 9080 9078 H2A SLES 1 -35.2532 -24.8951 -23.4719 HCA2 9077 0 0 0 0.09 9081 9079 H2B SLES 1 -34.4857 -26.489 -23.0474 HCA2 9077 0 0 0 0.09 9082 9080 C1 SLES 1 -34.7753 -24.9599 -21.2478 CC32A 9077 9081 9082 9083 -0.01 9083 9081 H1B SLES 1 -34.7272 -23.9734 -21.7276 HCA2 9080 0 0 0 0.09 9084 9082 H1A SLES 1 -33.9397 -25.7498 -21.2566 HCA2 9080 0 0 0 0.09 9085 9083 O1 SLES 1 -34.0853 -24.5797 -20.0854 OC30A 9080 9084 0 0 -0.34 9086 9084 C1 SLES 1 -32.8448 -23.9034 -20.2332 CTL2 9083 9085 9086 9087 -0.18 9087 9085 H11 SLES 1 -32.831 -23.0513 -20.9687 HAL2 9084 0 0 0 0.09 9088 9086 H12 SLES 1 -32.0448 -24.6203 -20.5471 HAL2 9084 0 0 0 0.09 9089 9087 C2 SLES 1 -32.6596 -23.4164 -18.7967 CTL2 9084 9088 9089 9090 -0.18 9090 9088 H21 SLES 1 -33.4141 -22.655 -18.484 HAL2 9087 0 0 0 0.09 9091 9089 H22 SLES 1 -32.6516 -24.2473 -18.0498 HAL2 9087 0 0 0 0.09 9092 9090 C3 SLES 1 -31.324 -22.7909 -18.83 CTL2 9087 9091 9092 9093 -0.18 9093 9091 H31 SLES 1 -31.4074 -21.9742 -19.5977 HAL2 9090 0 0 0 0.09 9094 9092 H32 SLES 1 -30.6276 -23.6122 -19.1562 HAL2 9090 0 0 0 0.09 9095 9093 C4 SLES 1 -30.7233 -22.1788 -17.6063 CTL2 9090 9094 9095 9096 -0.18 9096 9094 H41 SLES 1 -31.3564 -21.3442 -17.2159 HAL2 9093 0 0 0 0.09 9097 9095 H42 SLES 1 -30.6038 -22.9311 -16.7917 HAL2 9093 0 0 0 0.09 9098 9096 C5 SLES 1 -29.3981 -21.716 -18.2265 CTL2 9093 9097 9098 9099 -0.18 9099 9097 H51 SLES 1 -29.5878 -21.0196 -19.0862 HAL2 9096 0 0 0 0.09 9100 9098 H52 SLES 1 -28.8443 -22.5871 -18.6657 HAL2 9096 0 0 0 0.09 9101 9099 C6 SLES 1 -28.4503 -21.0291 -17.3415 CTL2 9096 9100 9101 9102 -0.18 9102 9100 H61 SLES 1 -28.2352 -20.0361 -17.8219 HAL2 9099 0 0 0 0.09 9103 9101 H62 SLES 1 -27.4896 -21.6079 -17.4 HAL2 9099 0 0 0 0.09 9104 9102 C7 SLES 1 -28.8773 -20.8405 -15.8809 CTL2 9099 9103 9104 9105 -0.18 9105 9103 H71 SLES 1 -29.7842 -20.2037 -15.7522 HAL2 9102 0 0 0 0.09 9106 9104 H72 SLES 1 -29.0291 -21.7949 -15.3253 HAL2 9102 0 0 0 0.09 9107 9105 C8 SLES 1 -27.6732 -20.1321 -15.3749 CTL2 9102 9106 9107 9108 -0.18 9108 9106 H81 SLES 1 -27.5724 -19.1966 -15.9936 HAL2 9105 0 0 0 0.09 9109 9107 H82 SLES 1 -26.8012 -20.8223 -15.5584 HAL2 9105 0 0 0 0.09 9110 9108 C9 SLES 1 -27.5892 -19.7105 -13.9494 CTL2 9105 9109 9110 9111 -0.18 9111 9109 H91 SLES 1 -28.4145 -19.0037 -13.7082 HAL2 9108 0 0 0 0.09 9112 9110 H92 SLES 1 -27.6575 -20.5982 -13.2813 HAL2 9108 0 0 0 0.09 9113 9111 C10 SLES 1 -26.2104 -19.0537 -13.9403 CTL2 9108 9112 9113 9114 -0.18 9114 9112 H10 SLES 1 -26.1822 -18.2144 -14.6867 HAL2 9111 0 0 0 0.09 9115 9113 H10 SLES 1 -25.4313 -19.797 -14.2625 HAL2 9111 0 0 0 0.09 9116 9114 C11 SLES 1 -25.7827 -18.4975 -12.6211 CTL2 9111 9115 9116 9117 -0.18 9117 9115 H11 SLES 1 -26.5463 -17.7449 -12.315 HAL2 9114 0 0 0 0.09 9118 9116 H11 SLES 1 -25.7913 -19.3372 -11.8881 HAL2 9114 0 0 0 0.09 9119 9117 C12 SLES 1 -24.391 -17.8743 -12.7618 CTL3 9114 9118 9119 9120 -0.27 9120 9118 H12 SLES 1 -24.4343 -16.7926 -12.5288 HAL3 9117 0 0 0 0.09 9121 9119 H12 SLES 1 -23.6731 -18.3958 -12.0991 HAL3 9117 0 0 0 0.09 9122 9120 H12 SLES 1 -23.9878 -17.9618 -13.8006 HAL3 9117 0 0 0 0.09 9123 9121 NA SLES 1 -29.2829 -40.3834 -24.6723 NA 0 0 0 0 1 9124 9122 S SLES 1 -27.8517 -38.2677 -26.3002 SL 9123 9124 9125 9126 1.33 9125 9123 OS1 SLES 1 -27.5572 -37.9288 -24.8975 OSL 9122 9127 0 0 -0.28 9126 9124 OS2 SLES 1 -29.2737 -38.1949 -26.0489 O2L 9122 0 0 0 -0.65 9127 9125 OS3 SLES 1 -27.2673 -39.5789 -26.1372 O2L 9122 0 0 0 -0.65 9128 9126 OS4 SLES 1 -27.2046 -37.2759 -27.1123 O2L 9122 0 0 0 -0.65 9129 9127 C2 SLES 1 -26.7816 -36.9021 -24.4226 CC32A 9123 9128 9129 9130 -0.11 9130 9128 H2A SLES 1 -27.1929 -35.9101 -24.7476 HCA2 9127 0 0 0 0.09 9131 9129 H2B SLES 1 -25.7206 -37.0058 -24.7735 HCA2 9127 0 0 0 0.09 9132 9130 C1 SLES 1 -26.8974 -37.09 -22.8946 CC32A 9127 9131 9132 9133 -0.01 9133 9131 H1B SLES 1 -27.9651 -37.0166 -22.5616 HCA2 9130 0 0 0 0.09 9134 9132 H1A SLES 1 -26.4933 -38.0848 -22.5843 HCA2 9130 0 0 0 0.09 9135 9133 O1 SLES 1 -26.2284 -36.202 -22.0592 OC30A 9130 9134 0 0 -0.34 9136 9134 C2 SLES 1 -25.4891 -35.1538 -22.6588 CC32A 9133 9135 9136 9137 -0.01 9137 9135 H2A SLES 1 -26.1644 -34.5057 -23.2877 HCA2 9134 0 0 0 0.09 9138 9136 H2B SLES 1 -24.6769 -35.5528 -23.3104 HCA2 9134 0 0 0 0.09 9139 9137 C1 SLES 1 -25.251 -34.6039 -21.2056 CC32A 9134 9138 9139 9140 -0.01 9140 9138 H1B SLES 1 -25.7673 -33.6708 -21.4672 HCA2 9137 0 0 0 0.09 9141 9139 H1A SLES 1 -24.1683 -34.871 -21.4862 HCA2 9137 0 0 0 0.09 9142 9140 O1 SLES 1 -24.5859 -34.0817 -20.0845 OC30A 9137 9141 0 0 -0.34 9143 9141 C1 SLES 1 -23.8617 -32.8694 -20.2392 CTL2 9140 9142 9143 9144 -0.18 9144 9142 H11 SLES 1 -24.3997 -32.0369 -20.7729 HAL2 9141 0 0 0 0.09 9145 9143 H12 SLES 1 -22.9082 -33.0531 -20.7956 HAL2 9141 0 0 0 0.09 9146 9144 C2 SLES 1 -23.6225 -32.5383 -18.7668 CTL2 9141 9145 9146 9147 -0.18 9147 9145 H21 SLES 1 -24.5576 -32.2937 -18.2079 HAL2 9144 0 0 0 0.09 9148 9146 H22 SLES 1 -23.073 -33.3431 -18.2202 HAL2 9144 0 0 0 0.09 9149 9147 C3 SLES 1 -22.7686 -31.3372 -18.8333 CTL2 9144 9148 9149 9150 -0.18 9150 9148 H31 SLES 1 -23.3808 -30.5791 -19.3936 HAL2 9147 0 0 0 0.09 9151 9149 H32 SLES 1 -21.8587 -31.6602 -19.4107 HAL2 9147 0 0 0 0.09 9152 9150 C4 SLES 1 -22.2746 -30.6669 -17.5924 CTL2 9147 9151 9152 9153 -0.18 9153 9151 H41 SLES 1 -23.1225 -30.3092 -16.9577 HAL2 9150 0 0 0 0.09 9154 9152 H42 SLES 1 -21.6511 -31.3575 -16.9775 HAL2 9150 0 0 0 0.09 9155 9153 C5 SLES 1 -21.479 -29.5376 -18.2609 CTL2 9150 9154 9155 9156 -0.18 9156 9154 H51 SLES 1 -22.1467 -28.9241 -18.9226 HAL2 9153 0 0 0 0.09 9157 9155 H52 SLES 1 -20.6929 -29.9598 -18.9407 HAL2 9153 0 0 0 0.09 9158 9156 C6 SLES 1 -20.7926 -28.5895 -17.3759 CTL2 9153 9157 9158 9159 -0.18 9159 9157 H61 SLES 1 -21.1683 -27.5685 -17.6575 HAL2 9156 0 0 0 0.09 9160 9158 H62 SLES 1 -19.7104 -28.6071 -17.6755 HAL2 9156 0 0 0 0.09 9161 9159 C7 SLES 1 -20.9374 -28.8202 -15.8668 CTL2 9156 9160 9161 9162 -0.18 9162 9160 H71 SLES 1 -21.9853 -28.7351 -15.4936 HAL2 9159 0 0 0 0.09 9163 9161 H72 SLES 1 -20.5091 -29.7863 -15.5119 HAL2 9159 0 0 0 0.09 9164 9162 C8 SLES 1 -20.1207 -27.68 -15.3765 CTL2 9159 9163 9164 9165 -0.18 9165 9163 H81 SLES 1 -20.5975 -26.7474 -15.7902 HAL2 9162 0 0 0 0.09 9166 9164 H82 SLES 1 -19.0898 -27.8214 -15.8099 HAL2 9162 0 0 0 0.09 9167 9165 C9 SLES 1 -19.9407 -27.4536 -13.916 CTL2 9162 9166 9167 9168 -0.18 9168 9166 H91 SLES 1 -20.9267 -27.2821 -13.4291 HAL2 9165 0 0 0 0.09 9169 9167 H92 SLES 1 -19.4474 -28.3352 -13.4483 HAL2 9165 0 0 0 0.09 9170 9168 C10 SLES 1 -19.0551 -26.2096 -13.9401 CTL2 9165 9169 9170 9171 -0.18 9171 9169 H10 SLES 1 -19.5771 -25.3797 -14.4889 HAL2 9168 0 0 0 0.09 9172 9170 H10 SLES 1 -18.1091 -26.4252 -14.5075 HAL2 9168 0 0 0 0.09 9173 9171 C11 SLES 1 -18.664 -25.6847 -12.597 CTL2 9168 9172 9173 9174 -0.18 9174 9172 H11 SLES 1 -19.6042 -25.4514 -12.0451 HAL2 9171 0 0 0 0.09 9175 9173 H11 SLES 1 -18.1277 -26.5035 -12.0637 HAL2 9171 0 0 0 0.09 9176 9174 C12 SLES 1 -17.7836 -24.4445 -12.7749 CTL3 9171 9175 9176 9177 -0.27 9177 9175 H12 SLES 1 -18.2712 -23.5636 -12.3142 HAL3 9174 0 0 0 0.09 9178 9176 H12 SLES 1 -16.7838 -24.6224 -12.3331 HAL3 9174 0 0 0 0.09 9179 9177 H12 SLES 1 -17.6164 -24.1912 -13.8507 HAL3 9174 0 0 0 0.09 9180 9178 NA SLES 1 -14.7438 -47.5855 -24.7639 NA 0 0 0 0 1 9181 9179 S SLES 1 -14.8999 -44.9567 -26.2603 SL 9180 9181 9182 9183 1.33 9182 9180 OS1 SLES 1 -14.4693 -44.5922 -24.8998 OSL 9179 9184 0 0 -0.28 9183 9181 OS2 SLES 1 -16.0849 -45.6035 -25.7426 O2L 9179 0 0 0 -0.65 9184 9182 OS3 SLES 1 -13.753 -45.8199 -26.4241 O2L 9179 0 0 0 -0.65 9185 9183 OS4 SLES 1 -15.0052 -43.7334 -27.0049 O2L 9179 0 0 0 -0.65 9186 9184 C2 SLES 1 -14.1718 -43.3441 -24.4151 CC32A 9180 9185 9186 9187 -0.11 9187 9185 H2A SLES 1 -15.0618 -42.6652 -24.4922 HCA2 9184 0 0 0 0.09 9188 9186 H2B SLES 1 -13.304 -42.8957 -24.9677 HCA2 9184 0 0 0 0.09 9189 9187 C1 SLES 1 -13.8156 -43.6458 -22.9434 CC32A 9184 9188 9189 9190 -0.01 9190 9188 H1B SLES 1 -14.6794 -44.1228 -22.4117 HCA2 9187 0 0 0 0.09 9191 9189 H1A SLES 1 -12.9341 -44.3299 -22.8796 HCA2 9187 0 0 0 0.09 9192 9190 O1 SLES 1 -13.4579 -42.5898 -22.1121 OC30A 9187 9191 0 0 -0.34 9193 9191 C2 SLES 1 -13.4597 -41.2836 -22.6586 CC32A 9190 9192 9193 9194 -0.01 9194 9192 H2A SLES 1 -14.4877 -41.0171 -23.0377 HCA2 9191 0 0 0 0.09 9195 9193 H2B SLES 1 -12.7388 -41.198 -23.5051 HCA2 9191 0 0 0 0.09 9196 9194 C1 SLES 1 -13.1632 -40.7659 -21.2043 CC32A 9191 9195 9196 9197 -0.01 9197 9195 H1B SLES 1 -14.0999 -40.1931 -21.2103 HCA2 9194 0 0 0 0.09 9198 9196 H1A SLES 1 -12.184 -40.4528 -21.7195 HCA2 9194 0 0 0 0.09 9199 9197 O1 SLES 1 -12.5698 -40.0453 -20.1552 OC30A 9194 9198 0 0 -0.34 9200 9198 C1 SLES 1 -12.5539 -38.6275 -20.2408 CTL2 9197 9199 9200 9201 -0.18 9201 9199 H11 SLES 1 -13.5277 -38.1383 -20.523 HAL2 9198 0 0 0 0.09 9202 9200 H12 SLES 1 -11.7899 -38.2904 -20.9859 HAL2 9198 0 0 0 0.09 9203 9201 C2 SLES 1 -12.15 -38.3006 -18.8038 CTL2 9198 9202 9203 9204 -0.18 9204 9202 H21 SLES 1 -12.926 -38.5758 -18.0497 HAL2 9201 0 0 0 0.09 9205 9203 H22 SLES 1 -11.1761 -38.7607 -18.5068 HAL2 9201 0 0 0 0.09 9206 9204 C3 SLES 1 -11.9971 -36.8335 -18.8297 CTL2 9201 9205 9206 9207 -0.18 9207 9205 H31 SLES 1 -13.006 -36.4441 -19.1361 HAL2 9204 0 0 0 0.09 9208 9206 H32 SLES 1 -11.2105 -36.638 -19.6099 HAL2 9204 0 0 0 0.09 9209 9207 C4 SLES 1 -11.5896 -36.0744 -17.6088 CTL2 9204 9208 9209 9210 -0.18 9210 9208 H41 SLES 1 -12.3258 -36.2125 -16.7789 HAL2 9207 0 0 0 0.09 9211 9209 H42 SLES 1 -10.5893 -36.4025 -17.2405 HAL2 9207 0 0 0 0.09 9212 9210 C5 SLES 1 -11.5978 -34.6663 -18.2191 CTL2 9207 9211 9212 9213 -0.18 9213 9211 H51 SLES 1 -12.6111 -34.4245 -18.6371 HAL2 9210 0 0 0 0.09 9214 9212 H52 SLES 1 -10.8951 -34.6122 -19.0918 HAL2 9210 0 0 0 0.09 9215 9213 C6 SLES 1 -11.2411 -33.5522 -17.3332 CTL2 9210 9214 9215 9216 -0.18 9216 9214 H61 SLES 1 -12.1038 -32.833 -17.3702 HAL2 9213 0 0 0 0.09 9217 9215 H62 SLES 1 -10.3829 -33.0212 -17.826 HAL2 9213 0 0 0 0.09 9218 9216 C7 SLES 1 -10.8943 -33.9043 -15.8815 CTL2 9213 9217 9218 9219 -0.18 9219 9217 H71 SLES 1 -11.737 -34.3636 -15.3126 HAL2 9216 0 0 0 0.09 9220 9218 H72 SLES 1 -9.99477 -34.5539 -15.7743 HAL2 9216 0 0 0 0.09 9221 9219 C8 SLES 1 -10.6109 -32.5381 -15.3709 CTL2 9216 9220 9221 9222 -0.18 9222 9220 H81 SLES 1 -11.5503 -31.9383 -15.5317 HAL2 9219 0 0 0 0.09 9223 9221 H82 SLES 1 -9.77105 -32.133 -16.0041 HAL2 9219 0 0 0 0.09 9224 9222 C9 SLES 1 -10.2116 -32.3308 -13.9516 CTL2 9219 9223 9224 9225 -0.18 9225 9223 H91 SLES 1 -11.0144 -32.6906 -13.2698 HAL2 9222 0 0 0 0.09 9226 9224 H92 SLES 1 -9.26889 -32.881 -13.7332 HAL2 9222 0 0 0 0.09 9227 9225 C10 SLES 1 -10.0415 -30.8131 -13.9352 CTL2 9222 9226 9227 9228 -0.18 9228 9226 H10 SLES 1 -11.0042 -30.3176 -14.2354 HAL2 9225 0 0 0 0.09 9229 9227 H10 SLES 1 -9.2717 -30.507 -14.6949 HAL2 9225 0 0 0 0.09 9230 9228 C11 SLES 1 -9.62945 -30.2363 -12.62 CTL2 9225 9229 9230 9231 -0.18 9231 9229 H11 SLES 1 -10.4063 -30.5234 -11.8736 HAL2 9228 0 0 0 0.09 9232 9230 H11 SLES 1 -8.66348 -30.7144 -12.3357 HAL2 9228 0 0 0 0.09 9233 9231 C12 SLES 1 -9.49898 -28.7163 -12.7524 CTL3 9228 9232 9233 9234 -0.27 9234 9232 H12 SLES 1 -10.2134 -28.2134 -12.0721 HAL3 9231 0 0 0 0.09 9235 9233 H12 SLES 1 -8.45818 -28.4048 -12.5377 HAL3 9231 0 0 0 0.09 9236 9234 H12 SLES 1 -9.73307 -28.3568 -13.7845 HAL3 9231 0 0 0 0.09 9237 9235 NA SLES 1 1.2519 -49.6261 -25.007 NA 0 0 0 0 1 9238 9236 S SLES 1 -0.48998 -47.4348 -26.1638 SL 9237 9238 9239 9240 1.33 9239 9237 OS1 SLES 1 0.0356554 -46.8758 -24.9066 OSL 9236 9241 0 0 -0.28 9240 9238 OS2 SLES 1 -1.06018 -48.5605 -25.4579 O2L 9236 0 0 0 -0.65 9241 9239 OS3 SLES 1 0.848698 -47.6413 -26.6664 O2L 9236 0 0 0 -0.65 9242 9240 OS4 SLES 1 -1.34 -46.4319 -26.7414 O2L 9236 0 0 0 -0.65 9243 9241 C2 SLES 1 -0.183811 -45.6279 -24.3814 CC32A 9237 9242 9243 9244 -0.11 9244 9242 H2A SLES 1 -1.27696 -45.4645 -24.1884 HCA2 9241 0 0 0 0.09 9245 9243 H2B SLES 1 0.203164 -44.8298 -25.069 HCA2 9241 0 0 0 0.09 9246 9244 C1 SLES 1 0.621073 -45.6855 -23.0652 CC32A 9241 9245 9246 9247 -0.01 9247 9245 H1B SLES 1 0.245908 -46.5072 -22.4016 HCA2 9244 0 0 0 0.09 9248 9246 H1A SLES 1 1.7063 -45.8578 -23.2696 HCA2 9244 0 0 0 0.09 9249 9247 O1 SLES 1 0.6284 -44.5686 -22.2365 OC30A 9244 9248 0 0 -0.34 9250 9248 C2 SLES 1 -0.124691 -43.4385 -22.6374 CC32A 9247 9249 9250 9251 -0.01 9251 9249 H2A SLES 1 -1.21367 -43.71 -22.7466 HCA2 9248 0 0 0 0.09 9252 9250 H2B SLES 1 0.23748 -43.0359 -23.6122 HCA2 9248 0 0 0 0.09 9253 9251 C1 SLES 1 0.238069 -42.8078 -21.2441 CC32A 9248 9252 9253 9254 -0.01 9254 9252 H1B SLES 1 -0.827066 -42.7582 -20.982 HCA2 9251 0 0 0 0.09 9255 9253 H1A SLES 1 0.792486 -42.0735 -21.9338 HCA2 9251 0 0 0 0.09 9256 9254 O1 SLES 1 0.656792 -41.8658 -20.2905 OC30A 9251 9255 0 0 -0.34 9257 9255 C1 SLES 1 -0.0211082 -40.6186 -20.2378 CTL2 9254 9256 9257 9258 -0.18 9258 9256 H11 SLES 1 -1.1458 -40.6666 -20.2433 HAL2 9255 0 0 0 0.09 9259 9257 H12 SLES 1 0.28348 -39.9725 -21.0994 HAL2 9255 0 0 0 0.09 9260 9258 C2 SLES 1 0.518503 -40.1036 -18.9042 CTL2 9255 9259 9260 9261 -0.18 9261 9259 H21 SLES 1 0.176663 -40.701 -18.0251 HAL2 9258 0 0 0 0.09 9262 9260 H22 SLES 1 1.63312 -40.0297 -18.8815 HAL2 9258 0 0 0 0.09 9263 9261 C3 SLES 1 -0.0521241 -38.7458 -18.8197 CTL2 9258 9262 9263 9264 -0.18 9264 9262 H31 SLES 1 -1.16526 -38.8986 -18.8505 HAL2 9261 0 0 0 0.09 9265 9263 H32 SLES 1 0.329941 -38.2136 -19.7343 HAL2 9261 0 0 0 0.09 9266 9264 C4 SLES 1 0.233177 -37.8556 -17.6538 CTL2 9261 9265 9266 9267 -0.18 9267 9265 H41 SLES 1 -0.121143 -38.312 -16.6968 HAL2 9264 0 0 0 0.09 9268 9266 H42 SLES 1 1.32523 -37.6518 -17.5551 HAL2 9264 0 0 0 0.09 9269 9267 C5 SLES 1 -0.589096 -36.641 -18.1051 CTL2 9264 9268 9269 9270 -0.18 9270 9268 H51 SLES 1 -1.66356 -36.9278 -18.2577 HAL2 9267 0 0 0 0.09 9271 9269 H52 SLES 1 -0.233893 -36.2753 -19.1044 HAL2 9267 0 0 0 0.09 9272 9270 C6 SLES 1 -0.596769 -35.4724 -17.2176 CTL2 9267 9271 9272 9273 -0.18 9273 9271 H61 SLES 1 -1.67606 -35.2596 -16.9881 HAL2 9270 0 0 0 0.09 9274 9272 H62 SLES 1 -0.242321 -34.6051 -17.837 HAL2 9270 0 0 0 0.09 9275 9273 C7 SLES 1 0.219079 -35.5791 -15.9236 CTL2 9270 9274 9275 9276 -0.18 9276 9274 H71 SLES 1 -0.137471 -36.3743 -15.2271 HAL2 9273 0 0 0 0.09 9277 9275 H72 SLES 1 1.31388 -35.7116 -16.0867 HAL2 9273 0 0 0 0.09 9278 9276 C8 SLES 1 -0.0617829 -34.234 -15.3585 CTL2 9273 9277 9278 9279 -0.18 9279 9277 H81 SLES 1 -1.1799 -34.1657 -15.2432 HAL2 9276 0 0 0 0.09 9280 9278 H82 SLES 1 0.302254 -33.4891 -16.1221 HAL2 9276 0 0 0 0.09 9281 9279 C9 SLES 1 0.526095 -33.8264 -14.0527 CTL2 9276 9280 9281 9282 -0.18 9282 9280 H91 SLES 1 0.183926 -34.5125 -13.246 HAL2 9279 0 0 0 0.09 9283 9281 H92 SLES 1 1.63769 -33.8483 -14.1081 HAL2 9279 0 0 0 0.09 9284 9282 C10 SLES 1 -0.0435056 -32.415 -13.9262 CTL2 9279 9283 9284 9285 -0.18 9285 9283 H10 SLES 1 -1.1661 -32.4525 -13.951 HAL2 9282 0 0 0 0.09 9286 9284 H10 SLES 1 0.277096 -31.7935 -14.8063 HAL2 9282 0 0 0 0.09 9287 9285 C11 SLES 1 0.355008 -31.68 -12.6879 CTL2 9282 9286 9287 9288 -0.18 9288 9286 H11 SLES 1 0.0162057 -32.2885 -11.8173 HAL2 9285 0 0 0 0.09 9289 9287 H11 SLES 1 1.46831 -31.626 -12.6775 HAL2 9285 0 0 0 0.09 9290 9288 C12 SLES 1 -0.285688 -30.2892 -12.6964 CTL3 9285 9289 9290 9291 -0.27 9291 9289 H12 SLES 1 -0.961353 -30.1773 -11.8263 HAL3 9288 0 0 0 0.09 9292 9290 H12 SLES 1 0.500563 -29.5093 -12.6927 HAL3 9288 0 0 0 0.09 9293 9291 H12 SLES 1 -0.906853 -30.1116 -13.6085 HAL3 9288 0 0 0 0.09 9294 9292 NA SLES 1 16.863 -46.4017 -25.3778 NA 0 0 0 0 1 9295 9293 S SLES 1 14.0705 -45.42 -26.0201 SL 9294 9295 9296 9297 1.33 9296 9294 OS1 SLES 1 14.5297 -44.5585 -24.9173 OSL 9293 9298 0 0 -0.28 9297 9295 OS2 SLES 1 14.2903 -46.6061 -25.2227 O2L 9293 0 0 0 -0.65 9298 9296 OS3 SLES 1 15.1896 -45.0173 -26.8402 O2L 9293 0 0 0 -0.65 9299 9297 OS4 SLES 1 12.7369 -45.0005 -26.3478 O2L 9293 0 0 0 -0.65 9300 9298 C2 SLES 1 13.8607 -43.518 -24.3249 CC32A 9294 9299 9300 9301 -0.11 9301 9299 H2A SLES 1 12.9002 -43.8727 -23.8661 HCA2 9298 0 0 0 0.09 9302 9300 H2B SLES 1 13.648 -42.7036 -25.0674 HCA2 9298 0 0 0 0.09 9303 9301 C1 SLES 1 14.867 -43.0585 -23.248 CC32A 9298 9302 9303 9304 -0.01 9304 9302 H1B SLES 1 15.0957 -43.8903 -22.5323 HCA2 9301 0 0 0 0.09 9305 9303 H1A SLES 1 15.8224 -42.7164 -23.7162 HCA2 9301 0 0 0 0.09 9306 9304 O1 SLES 1 14.5216 -41.9956 -22.4202 OC30A 9301 9305 0 0 -0.34 9307 9305 C2 SLES 1 13.2486 -41.4015 -22.5974 CC32A 9304 9306 9307 9308 -0.01 9308 9306 H2A SLES 1 12.4332 -42.1648 -22.4426 HCA2 9305 0 0 0 0.09 9309 9307 H2B SLES 1 13.1408 -40.9735 -23.6215 HCA2 9305 0 0 0 0.09 9310 9308 C1 SLES 1 13.5662 -40.5408 -21.321 CC32A 9305 9309 9310 9311 -0.01 9311 9309 H1B SLES 1 12.6999 -40.9752 -20.8048 HCA2 9308 0 0 0 0.09 9312 9310 H1A SLES 1 13.5254 -39.7034 -22.1081 HCA2 9308 0 0 0 0.09 9313 9311 O1 SLES 1 13.6816 -39.4243 -20.4772 OC30A 9308 9312 0 0 -0.34 9314 9312 C1 SLES 1 12.5181 -38.6474 -20.2305 CTL2 9311 9313 9314 9315 -0.18 9315 9313 H11 SLES 1 11.5882 -39.2218 -19.9612 HAL2 9312 0 0 0 0.09 9316 9314 H12 SLES 1 12.2697 -38.0223 -21.1249 HAL2 9312 0 0 0 0.09 9317 9315 C2 SLES 1 13.0277 -37.8103 -19.0581 CTL2 9312 9316 9317 9318 -0.18 9318 9316 H21 SLES 1 13.225 -38.4087 -18.1364 HAL2 9315 0 0 0 0.09 9319 9317 H22 SLES 1 13.9406 -37.2164 -19.3076 HAL2 9315 0 0 0 0.09 9320 9318 C3 SLES 1 11.9089 -36.8828 -18.8041 CTL2 9315 9319 9320 9321 -0.18 9321 9319 H31 SLES 1 11.0335 -37.546 -18.5647 HAL2 9318 0 0 0 0.09 9322 9320 H32 SLES 1 11.769 -36.326 -19.7717 HAL2 9318 0 0 0 0.09 9323 9321 C4 SLES 1 11.9843 -35.8539 -17.7231 CTL2 9318 9322 9323 9324 -0.18 9324 9322 H41 SLES 1 12.1207 -36.327 -16.7195 HAL2 9321 0 0 0 0.09 9325 9323 H42 SLES 1 12.8326 -35.1494 -17.8903 HAL2 9321 0 0 0 0.09 9326 9324 C5 SLES 1 10.6006 -35.2234 -17.9302 CTL2 9321 9325 9326 9327 -0.18 9327 9325 H51 SLES 1 9.79511 -35.9976 -17.8214 HAL2 9324 0 0 0 0.09 9328 9326 H52 SLES 1 10.4992 -34.8334 -18.9771 HAL2 9324 0 0 0 0.09 9329 9327 C6 SLES 1 10.2309 -34.1165 -17.0406 CTL2 9324 9328 9329 9330 -0.18 9330 9328 H61 SLES 1 9.26663 -34.4179 -16.5484 HAL2 9327 0 0 0 0.09 9331 9329 H62 SLES 1 9.97274 -33.2503 -17.7072 HAL2 9327 0 0 0 0.09 9332 9330 C7 SLES 1 11.2652 -33.6971 -15.9889 CTL2 9327 9331 9332 9333 -0.18 9333 9331 H71 SLES 1 11.5043 -34.4936 -15.2452 HAL2 9330 0 0 0 0.09 9334 9332 H72 SLES 1 12.2188 -33.3115 -16.4185 HAL2 9330 0 0 0 0.09 9335 9333 C8 SLES 1 10.5063 -32.5965 -15.3406 CTL2 9330 9334 9335 9336 -0.18 9336 9334 H81 SLES 1 9.55307 -33.0541 -14.9531 HAL2 9333 0 0 0 0.09 9337 9335 H82 SLES 1 10.2827 -31.8471 -16.1523 HAL2 9333 0 0 0 0.09 9338 9336 C9 SLES 1 11.1022 -31.8333 -14.2095 CTL2 9333 9337 9338 9339 -0.18 9339 9337 H91 SLES 1 11.3257 -32.5167 -13.36 HAL2 9336 0 0 0 0.09 9340 9338 H92 SLES 1 12.0411 -31.3324 -14.5362 HAL2 9336 0 0 0 0.09 9341 9339 C10 SLES 1 9.9679 -30.8543 -13.9139 CTL2 9336 9340 9341 9342 -0.18 9342 9340 H10 SLES 1 9.03025 -31.4203 -13.6636 HAL2 9339 0 0 0 0.09 9343 9341 H10 SLES 1 9.74075 -30.245 -14.8307 HAL2 9339 0 0 0 0.09 9344 9342 C11 SLES 1 10.2304 -29.9006 -12.794 CTL2 9339 9343 9344 9345 -0.18 9345 9343 H11 SLES 1 10.4338 -30.5081 -11.8816 HAL2 9342 0 0 0 0.09 9346 9344 H11 SLES 1 11.149 -29.3259 -13.0556 HAL2 9342 0 0 0 0.09 9347 9345 C12 SLES 1 9.01538 -28.9865 -12.6123 CTL3 9342 9346 9347 9348 -0.27 9348 9346 H12 SLES 1 8.58606 -29.1224 -11.6007 HAL3 9345 0 0 0 0.09 9349 9347 H12 SLES 1 9.30551 -27.9314 -12.7831 HAL3 9345 0 0 0 0.09 9350 9348 H12 SLES 1 8.19799 -29.2143 -13.3399 HAL3 9345 0 0 0 0.09 9351 9349 NA SLES 1 30.3951 -38.468 -25.8399 NA 0 0 0 0 1 9352 9350 S SLES 1 27.4164 -39.0174 -25.8432 SL 9351 9352 9353 9354 1.33 9353 9351 OS1 SLES 1 27.5889 -37.8742 -24.9307 OSL 9350 9355 0 0 -0.28 9354 9352 OS2 SLES 1 28.3319 -39.817 -25.0601 O2L 9350 0 0 0 -0.65 9355 9353 OS3 SLES 1 28.0213 -38.2804 -26.9287 O2L 9350 0 0 0 -0.65 9356 9354 OS4 SLES 1 26.0142 -39.3262 -25.8626 O2L 9350 0 0 0 -0.65 9357 9355 C2 SLES 1 26.6183 -37.1833 -24.2512 CC32A 9351 9356 9357 9358 -0.11 9358 9356 H2A SLES 1 26.0585 -37.8638 -23.5566 HCA2 9355 0 0 0 0.09 9359 9357 H2B SLES 1 25.9011 -36.6949 -24.963 HCA2 9355 0 0 0 0.09 9360 9358 C1 SLES 1 27.4491 -36.1398 -23.4739 CC32A 9355 9359 9360 9361 -0.01 9361 9359 H1B SLES 1 28.1835 -36.6403 -22.7909 HCA2 9358 0 0 0 0.09 9362 9360 H1A SLES 1 28.0091 -35.4742 -24.1757 HCA2 9358 0 0 0 0.09 9363 9361 O1 SLES 1 26.7867 -35.2405 -22.6452 OC30A 9358 9362 0 0 -0.34 9364 9362 C2 SLES 1 25.3783 -35.3446 -22.5425 CC32A 9361 9363 9364 9365 -0.01 9365 9363 H2A SLES 1 25.0862 -36.3627 -22.1557 HCA2 9362 0 0 0 0.09 9366 9364 H2B SLES 1 24.8878 -35.1894 -23.5319 HCA2 9362 0 0 0 0.09 9367 9365 C1 SLES 1 25.4625 -34.2397 -21.4276 CC32A 9362 9366 9367 9368 -0.01 9368 9366 H1B SLES 1 25.0326 -34.9363 -20.6958 HCA2 9365 0 0 0 0.09 9369 9367 H1A SLES 1 24.8723 -33.6585 -22.2253 HCA2 9365 0 0 0 0.09 9370 9368 O1 SLES 1 25.1693 -33.0768 -20.6971 OC30A 9365 9369 0 0 -0.34 9371 9369 C1 SLES 1 23.843 -32.9017 -20.2195 CTL2 9368 9370 9371 9372 -0.18 9372 9370 H11 SLES 1 23.3818 -33.79 -19.7043 HAL2 9369 0 0 0 0.09 9373 9371 H12 SLES 1 23.16 -32.6193 -21.06 HAL2 9369 0 0 0 0.09 9374 9372 C2 SLES 1 24.0831 -31.745 -19.2504 CTL2 9369 9373 9374 9375 -0.18 9375 9373 H21 SLES 1 24.7145 -32.0234 -18.3726 HAL2 9372 0 0 0 0.09 9376 9374 H22 SLES 1 24.5239 -30.8444 -19.7434 HAL2 9372 0 0 0 0.09 9377 9375 C3 SLES 1 22.7223 -31.4169 -18.7847 CTL2 9372 9376 9377 9378 -0.18 9378 9376 H31 SLES 1 22.3456 -32.362 -18.3068 HAL2 9375 0 0 0 0.09 9379 9377 H32 SLES 1 22.1518 -31.1554 -19.7184 HAL2 9375 0 0 0 0.09 9380 9378 C4 SLES 1 22.4818 -30.3101 -17.8099 CTL2 9375 9379 9380 9381 -0.18 9381 9379 H41 SLES 1 23.0149 -30.4945 -16.8448 HAL2 9378 0 0 0 0.09 9382 9380 H42 SLES 1 22.8284 -29.3299 -18.2135 HAL2 9378 0 0 0 0.09 9383 9381 C5 SLES 1 20.9557 -30.4389 -17.7115 CTL2 9378 9382 9383 9384 -0.18 9384 9382 H51 SLES 1 20.6689 -31.4694 -17.3711 HAL2 9381 0 0 0 0.09 9385 9383 H52 SLES 1 20.4851 -30.3177 -18.7225 HAL2 9381 0 0 0 0.09 9386 9384 C6 SLES 1 20.2624 -29.5026 -16.8193 CTL2 9381 9385 9386 9387 -0.18 9387 9385 H61 SLES 1 19.6793 -30.1329 -16.0944 HAL2 9384 0 0 0 0.09 9388 9386 H62 SLES 1 19.4951 -28.9778 -17.4495 HAL2 9384 0 0 0 0.09 9389 9387 C7 SLES 1 21.1321 -28.485 -16.0711 CTL2 9384 9388 9389 9390 -0.18 9390 9388 H71 SLES 1 21.8632 -28.9454 -15.3654 HAL2 9387 0 0 0 0.09 9391 9389 H72 SLES 1 21.6764 -27.776 -16.7373 HAL2 9387 0 0 0 0.09 9392 9390 C8 SLES 1 20.0658 -27.7745 -15.3189 CTL2 9387 9391 9392 9393 -0.18 9393 9391 H81 SLES 1 19.5493 -28.5527 -14.6898 HAL2 9390 0 0 0 0.09 9394 9392 H82 SLES 1 19.3583 -27.359 -16.0918 HAL2 9390 0 0 0 0.09 9395 9393 C9 SLES 1 20.4081 -26.6487 -14.4066 CTL2 9390 9394 9395 9396 -0.18 9396 9394 H91 SLES 1 21.0901 -27.0007 -13.6006 HAL2 9393 0 0 0 0.09 9397 9395 H92 SLES 1 20.9023 -25.8295 -14.9757 HAL2 9393 0 0 0 0.09 9398 9396 C10 SLES 1 19.0165 -26.2761 -13.8995 CTL2 9393 9397 9398 9399 -0.18 9399 9397 H10 SLES 1 18.5412 -27.1639 -13.4013 HAL2 9396 0 0 0 0.09 9400 9398 H10 SLES 1 18.3553 -26.0013 -14.7659 HAL2 9396 0 0 0 0.09 9401 9399 C11 SLES 1 18.9793 -25.1415 -12.9281 CTL2 9396 9400 9401 9402 -0.18 9402 9400 H11 SLES 1 19.6186 -25.4266 -12.0602 HAL2 9399 0 0 0 0.09 9403 9401 H11 SLES 1 19.4321 -24.2569 -13.4331 HAL2 9399 0 0 0 0.09 9404 9402 C12 SLES 1 17.5298 -24.8816 -12.5085 CTL3 9399 9403 9404 9405 -0.27 9405 9403 H12 SLES 1 17.4172 -25.0344 -11.4176 HAL3 9402 0 0 0 0.09 9406 9404 H12 SLES 1 17.2284 -23.8565 -12.8 HAL3 9402 0 0 0 0.09 9407 9405 H12 SLES 1 16.8108 -25.5787 -13.005 HAL3 9402 0 0 0 0.09 9408 9406 NA SLES 1 40.5301 -26.8931 -26.3482 NA 0 0 0 0 1 9409 9407 S SLES 1 38.2359 -28.7436 -25.6506 SL 9408 9409 9410 9411 1.33 9410 9408 OS1 SLES 1 37.9349 -27.4859 -24.9457 OSL 9407 9412 0 0 -0.28 9411 9409 OS2 SLES 1 39.5162 -28.8427 -24.986 O2L 9407 0 0 0 -0.65 9412 9410 OS3 SLES 1 38.2577 -28.0598 -26.9231 O2L 9407 0 0 0 -0.65 9413 9411 OS4 SLES 1 37.1784 -29.6615 -25.3332 O2L 9407 0 0 0 -0.65 9414 9412 C2 SLES 1 36.8435 -27.1954 -24.1675 CC32A 9408 9413 9414 9415 -0.11 9415 9413 H2A SLES 1 36.7838 -27.8926 -23.2904 HCA2 9412 0 0 0 0.09 9416 9414 H2B SLES 1 35.8962 -27.2574 -24.7661 HCA2 9412 0 0 0 0.09 9417 9415 C1 SLES 1 37.1416 -25.7479 -23.7208 CC32A 9412 9416 9417 9418 -0.01 9418 9416 H1B SLES 1 38.1061 -25.6945 -23.1522 HCA2 9415 0 0 0 0.09 9419 9417 H1A SLES 1 37.2079 -25.0649 -24.6031 HCA2 9415 0 0 0 0.09 9420 9418 O1 SLES 1 36.2315 -25.1038 -22.8895 OC30A 9415 9419 0 0 -0.34 9421 9419 C2 SLES 1 35.083 -25.8225 -22.478 CC32A 9418 9420 9421 9422 -0.01 9422 9420 H2A SLES 1 35.3817 -26.7521 -21.9139 HCA2 9419 0 0 0 0.09 9423 9421 H2B SLES 1 34.4605 -26.1256 -23.3522 HCA2 9419 0 0 0 0.09 9424 9422 C1 SLES 1 34.7501 -24.5957 -21.5534 CC32A 9419 9423 9424 9425 -0.01 9425 9423 H1B SLES 1 34.8148 -25.2388 -20.6659 HCA2 9422 0 0 0 0.09 9426 9424 H1A SLES 1 33.8558 -24.5373 -22.2739 HCA2 9422 0 0 0 0.09 9427 9425 O1 SLES 1 34.0157 -23.5748 -20.9285 OC30A 9422 9426 0 0 -0.34 9428 9426 C1 SLES 1 32.8471 -23.9357 -20.2061 CTL2 9425 9427 9428 9429 -0.18 9429 9427 H11 SLES 1 32.9523 -24.8044 -19.4978 HAL2 9426 0 0 0 0.09 9430 9428 H12 SLES 1 32.0148 -24.1866 -20.911 HAL2 9426 0 0 0 0.09 9431 9429 C2 SLES 1 32.6047 -22.6231 -19.4623 CTL2 9426 9430 9431 9432 -0.18 9432 9430 H21 SLES 1 33.3954 -22.3847 -18.7108 HAL2 9429 0 0 0 0.09 9433 9431 H22 SLES 1 32.4787 -21.7486 -20.1462 HAL2 9429 0 0 0 0.09 9434 9432 C3 SLES 1 31.3295 -22.8707 -18.7631 CTL2 9429 9433 9434 9435 -0.18 9435 9433 H31 SLES 1 31.5308 -23.7571 -18.1019 HAL2 9432 0 0 0 0.09 9436 9434 H32 SLES 1 30.5927 -23.1074 -19.5797 HAL2 9432 0 0 0 0.09 9437 9435 C4 SLES 1 30.6986 -21.822 -17.9057 CTL2 9432 9436 9437 9438 -0.18 9438 9436 H41 SLES 1 31.3692 -21.5296 -17.0604 HAL2 9435 0 0 0 0.09 9439 9437 H42 SLES 1 30.4635 -20.9034 -18.4929 HAL2 9435 0 0 0 0.09 9440 9438 C5 SLES 1 29.4604 -22.6173 -17.4703 CTL2 9435 9439 9440 9441 -0.18 9441 9439 H51 SLES 1 29.764 -23.5649 -16.9507 HAL2 9438 0 0 0 0.09 9442 9440 H52 SLES 1 28.8691 -22.945 -18.3655 HAL2 9438 0 0 0 0.09 9443 9441 C6 SLES 1 28.5135 -21.9421 -16.5755 CTL2 9438 9442 9443 9444 -0.18 9444 9442 H61 SLES 1 28.4127 -22.6005 -15.6704 HAL2 9441 0 0 0 0.09 9445 9443 H62 SLES 1 27.5153 -21.9787 -17.089 HAL2 9441 0 0 0 0.09 9446 9444 C7 SLES 1 28.8541 -20.5053 -16.1621 CTL2 9441 9445 9446 9447 -0.18 9447 9445 H71 SLES 1 29.7988 -20.414 -15.5757 HAL2 9444 0 0 0 0.09 9448 9446 H72 SLES 1 28.89 -19.7847 -17.0119 HAL2 9444 0 0 0 0.09 9449 9447 C8 SLES 1 27.6797 -20.2267 -15.2955 CTL2 9444 9448 9449 9450 -0.18 9450 9448 H81 SLES 1 27.6973 -21.0019 -14.4789 HAL2 9447 0 0 0 0.09 9451 9449 H82 SLES 1 26.7692 -20.3599 -15.9464 HAL2 9447 0 0 0 0.09 9452 9450 C9 SLES 1 27.5335 -18.9055 -14.6247 CTL2 9447 9451 9452 9453 -0.18 9453 9451 H91 SLES 1 28.395 -18.7223 -13.9443 HAL2 9450 0 0 0 0.09 9454 9452 H92 SLES 1 27.4841 -18.0925 -15.3835 HAL2 9450 0 0 0 0.09 9455 9453 C10 SLES 1 26.215 -19.1203 -13.8844 CTL2 9450 9454 9455 9456 -0.18 9456 9454 H10 SLES 1 26.3057 -19.9986 -13.1898 HAL2 9453 0 0 0 0.09 9457 9455 H10 SLES 1 25.4019 -19.3731 -14.6182 HAL2 9453 0 0 0 0.09 9458 9456 C11 SLES 1 25.7451 -17.9543 -13.0768 CTL2 9453 9457 9458 9459 -0.18 9459 9457 H11 SLES 1 26.5445 -17.7201 -12.3358 HAL2 9456 0 0 0 0.09 9460 9458 H11 SLES 1 25.6358 -17.0906 -13.773 HAL2 9456 0 0 0 0.09 9461 9459 C12 SLES 1 24.4213 -18.3114 -12.395 CTL3 9456 9460 9461 9462 -0.27 9462 9460 H12 SLES 1 24.5361 -18.2635 -11.2947 HAL3 9459 0 0 0 0.09 9463 9461 H12 SLES 1 23.6201 -17.6299 -12.7417 HAL3 9459 0 0 0 0.09 9464 9462 H12 SLES 1 24.0839 -19.3493 -12.6365 HAL3 9459 0 0 0 0.09 9465 9463 NA SLES 1 46.4529 -13.0425 -26.8529 NA 0 0 0 0 1 9466 9464 S SLES 1 45.4007 -15.5183 -25.461 SL 9465 9466 9467 9468 1.33 9467 9465 OS1 SLES 1 44.56 -14.4173 -24.9607 OSL 9464 9469 0 0 -0.28 9468 9466 OS2 SLES 1 46.5986 -14.8475 -25.0076 O2L 9464 0 0 0 -0.65 9469 9467 OS3 SLES 1 45.0168 -15.2316 -26.824 O2L 9464 0 0 0 -0.65 9470 9468 OS4 SLES 1 44.9473 -16.716 -24.8114 O2L 9464 0 0 0 -0.65 9471 9469 C2 SLES 1 43.5095 -14.4903 -24.0818 CC32A 9465 9470 9471 9472 -0.11 9472 9470 H2A SLES 1 43.8459 -14.9012 -23.0934 HCA2 9469 0 0 0 0.09 9473 9471 H2B SLES 1 42.6838 -15.1276 -24.496 HCA2 9469 0 0 0 0.09 9474 9472 C1 SLES 1 43.0834 -13.011 -23.9646 CC32A 9469 9473 9474 9475 -0.01 9475 9473 H1B SLES 1 43.9267 -12.3802 -23.5808 HCA2 9472 0 0 0 0.09 9476 9474 H1A SLES 1 42.7594 -12.6104 -24.9565 HCA2 9472 0 0 0 0.09 9477 9475 O1 SLES 1 42.0202 -12.6857 -23.1291 OC30A 9472 9476 0 0 -0.34 9478 9476 C2 SLES 1 41.395 -13.7332 -22.4103 CC32A 9475 9477 9478 9479 -0.01 9479 9477 H2A SLES 1 42.1405 -14.2506 -21.7409 HCA2 9476 0 0 0 0.09 9480 9478 H2B SLES 1 40.9554 -14.4912 -23.1001 HCA2 9476 0 0 0 0.09 9481 9479 C1 SLES 1 40.5535 -12.6204 -21.6862 CC32A 9476 9480 9481 9482 -0.01 9482 9480 H1B SLES 1 40.9722 -12.9249 -20.7179 HCA2 9479 0 0 0 0.09 9483 9481 H1A SLES 1 39.7083 -13.16 -22.2492 HCA2 9479 0 0 0 0.09 9484 9482 O1 SLES 1 39.4475 -11.942 -21.1489 OC30A 9479 9483 0 0 -0.34 9485 9483 C1 SLES 1 38.6461 -12.6193 -20.1914 CTL2 9482 9484 9485 9486 -0.18 9486 9484 H11 SLES 1 39.201 -13.1402 -19.3619 HAL2 9483 0 0 0 0.09 9487 9485 H12 SLES 1 38.0073 -13.3897 -20.6925 HAL2 9483 0 0 0 0.09 9488 9486 C2 SLES 1 37.8316 -11.4349 -19.6731 CTL2 9483 9487 9488 9489 -0.18 9489 9487 H21 SLES 1 38.4428 -10.6834 -19.1178 HAL2 9486 0 0 0 0.09 9490 9488 H22 SLES 1 37.257 -10.9129 -20.4766 HAL2 9486 0 0 0 0.09 9491 9489 C3 SLES 1 36.8807 -12.0708 -18.7416 CTL2 9486 9490 9491 9492 -0.18 9492 9490 H31 SLES 1 37.5253 -12.5733 -17.9702 HAL2 9489 0 0 0 0.09 9493 9491 H32 SLES 1 36.312 -12.8115 -19.3691 HAL2 9489 0 0 0 0.09 9494 9492 C4 SLES 1 35.8635 -11.2646 -18.001 CTL2 9489 9493 9494 9495 -0.18 9495 9493 H41 SLES 1 36.3487 -10.5003 -17.3452 HAL2 9492 0 0 0 0.09 9496 9494 H42 SLES 1 35.1775 -10.7326 -18.7012 HAL2 9492 0 0 0 0.09 9497 9495 C5 SLES 1 35.1991 -12.4133 -17.2303 CTL2 9492 9496 9497 9498 -0.18 9498 9496 H51 SLES 1 35.9553 -12.9545 -16.6015 HAL2 9495 0 0 0 0.09 9499 9497 H52 SLES 1 34.7975 -13.1828 -17.9409 HAL2 9495 0 0 0 0.09 9500 9498 C6 SLES 1 34.092 -12.0634 -16.333 CTL2 9495 9499 9500 9501 -0.18 9501 9499 H61 SLES 1 34.3752 -12.4535 -15.3179 HAL2 9498 0 0 0 0.09 9502 9500 H62 SLES 1 33.2141 -12.6823 -16.661 HAL2 9498 0 0 0 0.09 9503 9501 C7 SLES 1 33.7063 -10.5814 -16.253 CTL2 9498 9502 9503 9504 -0.18 9504 9502 H71 SLES 1 34.5148 -9.92325 -15.8557 HAL2 9501 0 0 0 0.09 9505 9503 H72 SLES 1 33.3391 -10.1551 -17.2154 HAL2 9501 0 0 0 0.09 9506 9504 C8 SLES 1 32.5942 -10.6818 -15.2728 CTL2 9501 9505 9506 9507 -0.18 9507 9505 H81 SLES 1 33.0328 -11.1378 -14.3413 HAL2 9504 0 0 0 0.09 9508 9506 H82 SLES 1 31.8325 -11.3753 -15.7304 HAL2 9504 0 0 0 0.09 9509 9507 C9 SLES 1 31.8553 -9.46295 -14.8425 CTL2 9504 9508 9509 9510 -0.18 9510 9508 H91 SLES 1 32.5513 -8.74255 -14.3574 HAL2 9507 0 0 0 0.09 9511 9509 H92 SLES 1 31.3735 -8.97575 -15.7198 HAL2 9507 0 0 0 0.09 9512 9510 C10 SLES 1 30.8527 -10.0811 -13.8702 CTL2 9507 9511 9512 9513 -0.18 9513 9511 H10 SLES 1 31.399 -10.6202 -13.0497 HAL2 9510 0 0 0 0.09 9514 9512 H10 SLES 1 30.2301 -10.8511 -14.402 HAL2 9510 0 0 0 0.09 9515 9513 C11 SLES 1 29.9156 -9.1121 -13.2258 CTL2 9510 9514 9515 9516 -0.18 9516 9514 H11 SLES 1 30.5359 -8.36258 -12.6813 HAL2 9513 0 0 0 0.09 9517 9515 H11 SLES 1 29.3601 -8.59451 -14.0419 HAL2 9513 0 0 0 0.09 9518 9516 C12 SLES 1 28.975 -9.86809 -12.2831 CTL3 9513 9517 9518 9519 -0.27 9519 9517 H12 SLES 1 29.1101 -9.50934 -11.2442 HAL3 9516 0 0 0 0.09 9520 9518 H12 SLES 1 27.9255 -9.7435 -12.614 HAL3 9516 0 0 0 0.09 9521 9519 H12 SLES 1 29.1772 -10.9674 -12.2706 HAL3 9516 0 0 0 0.09 9522 9520 NA SLES 1 36.3182 1.64418 -38.3873 NA 0 0 0 0 1 9523 9521 S SLES 1 37.0705 -0.607557 -36.5064 SL 9522 9523 9524 9525 1.33 9524 9522 OS1 SLES 1 35.9176 0.0495181 -35.8673 OSL 9521 9526 0 0 -0.28 9525 9523 OS2 SLES 1 37.805 0.637759 -36.5268 O2L 9521 0 0 0 -0.65 9526 9524 OS3 SLES 1 36.2945 -0.880562 -37.694 O2L 9521 0 0 0 -0.65 9527 9525 OS4 SLES 1 37.4746 -1.67631 -35.6367 O2L 9521 0 0 0 -0.65 9528 9526 C2 SLES 1 35.2944 -0.293442 -34.6946 CC32A 9522 9527 9528 9529 -0.11 9529 9527 H2A SLES 1 36.0112 -0.239842 -33.8331 HCA2 9526 0 0 0 0.09 9530 9528 H2B SLES 1 34.8568 -1.32482 -34.7599 HCA2 9526 0 0 0 0.09 9531 9529 C1 SLES 1 34.1959 0.785828 -34.5852 CC32A 9526 9530 9531 9532 -0.01 9532 9530 H1B SLES 1 34.6445 1.81251 -34.5536 HCA2 9529 0 0 0 0.09 9533 9531 H1A SLES 1 33.4939 0.728524 -35.453 HCA2 9529 0 0 0 0.09 9534 9532 O1 SLES 1 33.3436 0.763312 -33.4864 OC30A 9529 9533 0 0 -0.34 9535 9533 C2 SLES 1 33.5438 -0.242648 -32.5104 CC32A 9532 9534 9535 9536 -0.01 9536 9534 H2A SLES 1 34.5793 -0.164001 -32.071 HCA2 9533 0 0 0 0.09 9537 9535 H2B SLES 1 33.4233 -1.26114 -32.9482 HCA2 9533 0 0 0 0.09 9538 9536 C1 SLES 1 32.4351 0.478817 -31.6613 CC32A 9533 9537 9538 9539 -0.01 9539 9537 H1B SLES 1 33.159 0.65649 -30.8551 HCA2 9536 0 0 0 0.09 9540 9538 H1A SLES 1 31.8962 -0.515444 -31.8697 HCA2 9536 0 0 0 0.09 9541 9539 O1 SLES 1 31.2945 0.661847 -30.8627 OC30A 9536 9540 0 0 -0.34 9542 9540 C1 SLES 1 31.2104 -0.0556061 -29.6396 CTL2 9539 9541 9542 9543 -0.18 9543 9541 H11 SLES 1 32.128 -0.0306716 -28.9878 HAL2 9540 0 0 0 0.09 9544 9542 H12 SLES 1 30.9761 -1.13244 -29.8345 HAL2 9540 0 0 0 0.09 9545 9543 C2 SLES 1 30.0394 0.688909 -28.9998 CTL2 9540 9544 9545 9546 -0.18 9546 9544 H21 SLES 1 30.2733 1.75006 -28.7432 HAL2 9543 0 0 0 0.09 9547 9545 H22 SLES 1 29.111 0.661981 -29.6209 HAL2 9543 0 0 0 0.09 9548 9546 C3 SLES 1 29.805 -0.0705721 -27.757 CTL2 9543 9547 9548 9549 -0.18 9549 9547 H31 SLES 1 30.7734 -0.00200562 -27.1905 HAL2 9546 0 0 0 0.09 9550 9548 H32 SLES 1 29.5838 -1.1202 -28.0964 HAL2 9546 0 0 0 0.09 9551 9549 C4 SLES 1 28.7167 0.312422 -26.8074 CTL2 9546 9550 9551 9552 -0.18 9552 9550 H41 SLES 1 28.8635 1.34952 -26.4167 HAL2 9549 0 0 0 0.09 9553 9551 H42 SLES 1 27.7153 0.266707 -27.2962 HAL2 9549 0 0 0 0.09 9554 9552 C5 SLES 1 28.9497 -0.785032 -25.7603 CTL2 9549 9553 9554 9555 -0.18 9555 9553 H51 SLES 1 29.9972 -0.731426 -25.3604 HAL2 9552 0 0 0 0.09 9556 9554 H52 SLES 1 28.8616 -1.8004 -26.229 HAL2 9552 0 0 0 0.09 9557 9555 C6 SLES 1 28.0625 -0.792326 -24.5914 CTL2 9552 9556 9557 9558 -0.18 9558 9556 H61 SLES 1 28.7309 -0.739757 -23.6896 HAL2 9555 0 0 0 0.09 9559 9557 H62 SLES 1 27.592 -1.81162 -24.5605 HAL2 9555 0 0 0 0.09 9560 9558 C7 SLES 1 26.9872 0.29928 -24.5303 CTL2 9555 9559 9560 9561 -0.18 9561 9559 H71 SLES 1 27.396 1.33595 -24.4774 HAL2 9558 0 0 0 0.09 9562 9560 H72 SLES 1 26.2431 0.250531 -25.3589 HAL2 9558 0 0 0 0.09 9563 9561 C8 SLES 1 26.351 -0.0712677 -23.2398 CTL2 9558 9562 9563 9564 -0.18 9564 9562 H81 SLES 1 27.1624 -0.0213796 -22.4605 HAL2 9561 0 0 0 0.09 9565 9563 H82 SLES 1 25.9854 -1.13052 -23.3614 HAL2 9561 0 0 0 0.09 9566 9564 C9 SLES 1 25.2038 0.716524 -22.7105 CTL2 9561 9565 9566 9567 -0.18 9567 9565 H91 SLES 1 25.5077 1.77424 -22.5444 HAL2 9564 0 0 0 0.09 9568 9566 H92 SLES 1 24.353 0.685989 -23.4277 HAL2 9564 0 0 0 0.09 9569 9567 C10 SLES 1 24.9272 -0.0423176 -21.4142 CTL2 9564 9568 9569 9570 -0.18 9570 9568 H10 SLES 1 25.8451 -0.0391775 -20.7664 HAL2 9567 0 0 0 0.09 9571 9569 H10 SLES 1 24.6988 -1.11881 -21.6433 HAL2 9567 0 0 0 0.09 9572 9570 C11 SLES 1 23.7971 0.492708 -20.5962 CTL2 9567 9571 9572 9573 -0.18 9573 9571 H11 SLES 1 24.0372 1.55386 -20.3524 HAL2 9570 0 0 0 0.09 9574 9572 H11 SLES 1 22.8839 0.468091 -21.2349 HAL2 9570 0 0 0 0.09 9575 9573 C12 SLES 1 23.6368 -0.360704 -19.3348 CTL3 9570 9574 9575 9576 -0.27 9576 9574 H12 SLES 1 23.7964 0.261463 -18.4329 HAL3 9573 0 0 0 0.09 9577 9575 H12 SLES 1 22.6351 -0.832578 -19.3208 HAL3 9573 0 0 0 0.09 9578 9576 H12 SLES 1 24.3819 -1.19245 -19.2855 HAL3 9573 0 0 0 0.09 9579 9577 NA SLES 1 32.3683 15.4981 -38.7285 NA 0 0 0 0 1 9580 9578 S SLES 1 34.1587 14.819 -36.3817 SL 9579 9580 9581 9582 1.33 9581 9579 OS1 SLES 1 32.7875 14.6316 -35.8777 OSL 9578 9583 0 0 -0.28 9582 9580 OS2 SLES 1 33.8698 16.1896 -36.7406 O2L 9578 0 0 0 -0.65 9583 9581 OS3 SLES 1 33.937 13.8513 -37.4313 O2L 9578 0 0 0 -0.65 9584 9582 OS4 SLES 1 35.0462 14.5238 -35.2921 O2L 9578 0 0 0 -0.65 9585 9583 C2 SLES 1 32.3967 14.2123 -34.6317 CC32A 9579 9584 9585 9586 -0.11 9586 9584 H2A SLES 1 32.7665 14.9173 -33.8409 HCA2 9583 0 0 0 0.09 9587 9585 H2B SLES 1 32.7724 13.1759 -34.4212 HCA2 9583 0 0 0 0.09 9588 9586 C1 SLES 1 30.8575 14.248 -34.7471 CC32A 9583 9587 9588 9589 -0.01 9589 9587 H1B SLES 1 30.4976 15.2814 -34.9894 HCA2 9586 0 0 0 0.09 9590 9588 H1A SLES 1 30.502 13.5492 -35.5436 HCA2 9586 0 0 0 0.09 9591 9589 O1 SLES 1 30.0956 13.8829 -33.6424 OC30A 9586 9590 0 0 -0.34 9592 9590 C2 SLES 1 30.7771 13.5157 -32.4568 CC32A 9589 9591 9592 9593 -0.01 9593 9591 H2A SLES 1 31.4222 14.3664 -32.0942 HCA2 9590 0 0 0 0.09 9594 9592 H2B SLES 1 31.4283 12.6259 -32.6234 HCA2 9590 0 0 0 0.09 9595 9593 C1 SLES 1 29.3661 13.4475 -31.7673 CC32A 9590 9594 9595 9596 -0.01 9596 9594 H1B SLES 1 29.6662 14.2329 -31.0611 HCA2 9593 0 0 0 0.09 9597 9595 H1A SLES 1 29.6629 12.3385 -31.7004 HCA2 9593 0 0 0 0.09 9598 9596 O1 SLES 1 28.2978 12.9684 -30.992 OC30A 9593 9597 0 0 -0.34 9599 9597 C1 SLES 1 28.5444 12.6626 -29.6269 CTL2 9596 9598 9599 9600 -0.18 9600 9598 H11 SLES 1 29.1094 13.4398 -29.0405 HAL2 9597 0 0 0 0.09 9601 9599 H12 SLES 1 29.1173 11.7052 -29.5391 HAL2 9597 0 0 0 0.09 9602 9600 C2 SLES 1 27.1015 12.5244 -29.1431 CTL2 9597 9601 9602 9603 -0.18 9603 9601 H21 SLES 1 26.5302 13.4834 -29.1672 HAL2 9600 0 0 0 0.09 9604 9602 H22 SLES 1 26.5256 11.7448 -29.6989 HAL2 9600 0 0 0 0.09 9605 9603 C3 SLES 1 27.2634 12.0911 -27.7423 CTL2 9600 9604 9605 9606 -0.18 9606 9604 H31 SLES 1 27.8484 12.9157 -27.2513 HAL2 9603 0 0 0 0.09 9607 9605 H32 SLES 1 27.8479 11.1316 -27.8016 HAL2 9603 0 0 0 0.09 9608 9606 C4 SLES 1 26.079 11.8197 -26.8724 CTL2 9603 9607 9608 9609 -0.18 9609 9607 H41 SLES 1 25.4413 12.7306 -26.7572 HAL2 9606 0 0 0 0.09 9610 9608 H42 SLES 1 25.4437 11.0049 -27.2925 HAL2 9606 0 0 0 0.09 9611 9609 C5 SLES 1 26.8356 11.4252 -25.5969 CTL2 9606 9610 9611 9612 -0.18 9612 9610 H51 SLES 1 27.5117 12.2582 -25.2668 HAL2 9609 0 0 0 0.09 9613 9611 H52 SLES 1 27.5127 10.5532 -25.7955 HAL2 9609 0 0 0 0.09 9614 9612 C6 SLES 1 26.0282 11.0619 -24.4267 CTL2 9609 9613 9614 9615 -0.18 9615 9613 H61 SLES 1 26.3576 11.7416 -23.5946 HAL2 9612 0 0 0 0.09 9616 9614 H62 SLES 1 26.3584 10.0318 -24.1247 HAL2 9612 0 0 0 0.09 9617 9615 C7 SLES 1 24.5046 11.1119 -24.5929 CTL2 9612 9616 9617 9618 -0.18 9618 9616 H71 SLES 1 24.1059 12.1298 -24.8154 HAL2 9615 0 0 0 0.09 9619 9617 H72 SLES 1 24.107 10.3987 -25.3518 HAL2 9615 0 0 0 0.09 9620 9618 C8 SLES 1 24.1062 10.689 -23.2254 CTL2 9615 9619 9620 9621 -0.18 9621 9619 H81 SLES 1 24.5592 11.4384 -22.5173 HAL2 9618 0 0 0 0.09 9622 9620 H82 SLES 1 24.5611 9.67023 -23.0655 HAL2 9618 0 0 0 0.09 9623 9621 C9 SLES 1 22.6674 10.5745 -22.8602 CTL2 9618 9622 9623 9624 -0.18 9624 9622 H91 SLES 1 22.1621 11.5596 -22.974 HAL2 9621 0 0 0 0.09 9625 9623 H92 SLES 1 22.164 9.8249 -23.5114 HAL2 9621 0 0 0 0.09 9626 9624 C10 SLES 1 22.7904 10.124 -21.406 CTL2 9621 9625 9626 9627 -0.18 9627 9625 H10 SLES 1 23.3708 10.8853 -20.8181 HAL2 9624 0 0 0 0.09 9628 9626 H10 SLES 1 23.3722 9.1638 -21.3517 HAL2 9624 0 0 0 0.09 9629 9627 C11 SLES 1 21.4924 9.90368 -20.6995 CTL2 9624 9628 9629 9630 -0.18 9630 9628 H11 SLES 1 20.9273 10.8641 -20.7363 HAL2 9627 0 0 0 0.09 9631 9629 H11 SLES 1 20.9285 9.13233 -21.2735 HAL2 9627 0 0 0 0.09 9632 9630 C12 SLES 1 21.7685 9.45847 -19.2606 CTL3 9627 9631 9632 9633 -0.27 9633 9631 H12 SLES 1 21.3456 10.1932 -18.5482 HAL3 9630 0 0 0 0.09 9634 9632 H12 SLES 1 21.3471 8.44891 -19.0883 HAL3 9630 0 0 0 0.09 9635 9633 H12 SLES 1 22.8618 9.39002 -19.038 HAL3 9630 0 0 0 0.09 9636 9634 NA SLES 1 23.7467 26.6272 -38.879 NA 0 0 0 0 1 9637 9635 S SLES 1 24.9902 27.691 -36.3302 SL 9636 9637 9638 9639 1.33 9638 9636 OS1 SLES 1 24.0154 26.6817 -35.8825 OSL 9635 9640 0 0 -0.28 9639 9637 OS2 SLES 1 23.956 28.4211 -37.0289 O2L 9635 0 0 0 -0.65 9640 9638 OS3 SLES 1 25.6888 26.7071 -37.1247 O2L 9635 0 0 0 -0.65 9641 9639 OS4 SLES 1 25.5949 28.2379 -35.1482 O2L 9635 0 0 0 -0.65 9642 9640 C2 SLES 1 23.7445 26.2816 -34.5989 CC32A 9636 9641 9642 9643 -0.11 9643 9641 H2A SLES 1 23.3806 27.1451 -33.9818 HCA2 9640 0 0 0 0.09 9644 9642 H2B SLES 1 24.653 25.8295 -34.1197 HCA2 9640 0 0 0 0.09 9645 9643 C1 SLES 1 22.6328 25.2324 -34.8156 CC32A 9640 9644 9645 9646 -0.01 9646 9644 H1B SLES 1 21.7444 25.689 -35.324 HCA2 9643 0 0 0 0.09 9647 9645 H1A SLES 1 23.0042 24.3822 -35.4389 HCA2 9643 0 0 0 0.09 9648 9646 O1 SLES 1 22.0879 24.5965 -33.7052 OC30A 9643 9647 0 0 -0.34 9649 9647 C2 SLES 1 22.5708 24.9633 -32.4257 CC32A 9646 9648 9649 9650 -0.01 9650 9648 H2A SLES 1 22.4009 26.0626 -32.2412 HCA2 9647 0 0 0 0.09 9651 9649 H2B SLES 1 23.6621 24.7545 -32.3298 HCA2 9647 0 0 0 0.09 9652 9650 C1 SLES 1 21.4496 24.0366 -31.8299 CC32A 9647 9651 9652 9653 -0.01 9653 9651 H1B SLES 1 21.0002 24.8982 -31.3186 HCA2 9650 0 0 0 0.09 9654 9652 H1A SLES 1 22.3792 23.4591 -31.4769 HCA2 9650 0 0 0 0.09 9655 9653 O1 SLES 1 20.828 23.0642 -31.0298 OC30A 9650 9654 0 0 -0.34 9656 9654 C1 SLES 1 20.9181 23.1997 -29.6187 CTL2 9653 9655 9656 9657 -0.18 9657 9655 H11 SLES 1 20.6911 24.2217 -29.2047 HAL2 9654 0 0 0 0.09 9658 9656 H12 SLES 1 21.9433 22.9232 -29.2651 HAL2 9654 0 0 0 0.09 9659 9657 C2 SLES 1 19.8633 22.1735 -29.207 CTL2 9654 9658 9659 9660 -0.18 9660 9658 H21 SLES 1 18.8248 22.4609 -29.4993 HAL2 9657 0 0 0 0.09 9661 9659 H22 SLES 1 20.0775 21.1466 -29.5915 HAL2 9657 0 0 0 0.09 9662 9660 C3 SLES 1 19.9684 22.1645 -27.7356 CTL2 9657 9661 9662 9663 -0.18 9663 9661 H31 SLES 1 19.745 23.2212 -27.4243 HAL2 9660 0 0 0 0.09 9664 9662 H32 SLES 1 21.0345 21.8746 -27.5231 HAL2 9660 0 0 0 0.09 9665 9663 C4 SLES 1 19.1063 21.2732 -26.9017 CTL2 9660 9664 9665 9666 -0.18 9666 9664 H41 SLES 1 18.0218 21.4993 -27.0516 HAL2 9663 0 0 0 0.09 9667 9665 H42 SLES 1 19.2719 20.1986 -27.1499 HAL2 9663 0 0 0 0.09 9668 9666 C5 SLES 1 19.6424 21.6843 -25.5238 CTL2 9663 9667 9668 9669 -0.18 9669 9667 H51 SLES 1 19.5134 22.7879 -25.3646 HAL2 9666 0 0 0 0.09 9670 9668 H52 SLES 1 20.7475 21.5018 -25.4616 HAL2 9666 0 0 0 0.09 9671 9669 C6 SLES 1 19.0496 21.0272 -24.3532 CTL2 9666 9670 9671 9672 -0.18 9672 9670 H61 SLES 1 18.6644 21.8506 -23.6925 HAL2 9669 0 0 0 0.09 9673 9671 H62 SLES 1 19.9018 20.5607 -23.7897 HAL2 9669 0 0 0 0.09 9674 9672 C7 SLES 1 17.9506 19.9921 -24.6216 CTL2 9669 9673 9674 9675 -0.18 9675 9673 H71 SLES 1 17.0401 20.4136 -25.1094 HAL2 9672 0 0 0 0.09 9676 9674 H72 SLES 1 18.293 19.1078 -25.2076 HAL2 9672 0 0 0 0.09 9677 9675 C8 SLES 1 17.6508 19.6006 -23.22 CTL2 9672 9676 9677 9678 -0.18 9678 9676 H81 SLES 1 17.3354 20.5419 -22.6885 HAL2 9675 0 0 0 0.09 9679 9677 H82 SLES 1 18.6158 19.2087 -22.789 HAL2 9675 0 0 0 0.09 9680 9678 C9 SLES 1 16.6086 18.578 -22.9286 CTL2 9675 9679 9680 9681 -0.18 9681 9679 H91 SLES 1 15.6197 18.9174 -23.31 HAL2 9678 0 0 0 0.09 9682 9680 H92 SLES 1 16.8757 17.6095 -23.4082 HAL2 9678 0 0 0 0.09 9683 9681 C10 SLES 1 16.6856 18.5372 -21.4038 CTL2 9678 9682 9683 9684 -0.18 9684 9682 H10 SLES 1 16.4799 19.5586 -20.9836 HAL2 9681 0 0 0 0.09 9685 9683 H10 SLES 1 17.7261 18.2603 -21.0813 HAL2 9681 0 0 0 0.09 9686 9684 C11 SLES 1 15.7424 17.5821 -20.7475 CTL2 9681 9685 9686 9687 -0.18 9687 9685 H11 SLES 1 14.7101 17.8731 -21.0521 HAL2 9684 0 0 0 0.09 9688 9686 H11 SLES 1 15.9637 16.5669 -21.1509 HAL2 9684 0 0 0 0.09 9689 9687 C12 SLES 1 15.9298 17.6485 -19.2292 CTL3 9684 9688 9689 9690 -0.27 9690 9688 H12 SLES 1 14.99 17.9772 -18.7448 HAL3 9687 0 0 0 0.09 9691 9689 H12 SLES 1 16.2526 16.6619 -18.8434 HAL3 9687 0 0 0 0.09 9692 9690 H12 SLES 1 16.718 18.3819 -18.9287 HAL3 9687 0 0 0 0.09 9693 9691 NA SLES 1 11.7008 33.8026 -38.8126 NA 0 0 0 0 1 9694 9692 S SLES 1 11.2494 35.5227 -36.3607 SL 9693 9694 9695 9696 1.33 9695 9693 OS1 SLES 1 11.1113 34.137 -35.881 OSL 9692 9697 0 0 -0.28 9696 9694 OS2 SLES 1 10.2077 35.3167 -37.342 O2L 9692 0 0 0 -0.65 9697 9695 OS3 SLES 1 12.5911 35.2589 -36.8272 O2L 9692 0 0 0 -0.65 9698 9696 OS4 SLES 1 11.0248 36.3785 -35.2298 O2L 9692 0 0 0 -0.65 9699 9697 C2 SLES 1 10.8638 33.7077 -34.6021 CC32A 9693 9698 9699 9700 -0.11 9700 9698 H2A SLES 1 9.88315 34.1075 -34.2314 HCA2 9697 0 0 0 0.09 9701 9699 H2B SLES 1 11.6878 34.0211 -33.9075 HCA2 9697 0 0 0 0.09 9702 9700 C1 SLES 1 10.8199 32.1746 -34.7789 CC32A 9697 9701 9702 9703 -0.01 9703 9701 H1B SLES 1 10.0145 31.8773 -35.4995 HCA2 9700 0 0 0 0.09 9704 9702 H1A SLES 1 11.7986 31.7895 -35.1571 HCA2 9700 0 0 0 0.09 9705 9703 O1 SLES 1 10.5763 31.3797 -33.664 OC30A 9700 9704 0 0 -0.34 9706 9704 C2 SLES 1 10.3596 32.0247 -32.4223 CC32A 9703 9705 9706 9707 -0.01 9707 9705 H2A SLES 1 9.46866 32.7128 -32.4865 HCA2 9704 0 0 0 0.09 9708 9706 H2B SLES 1 11.2481 32.626 -32.1182 HCA2 9704 0 0 0 0.09 9709 9707 C1 SLES 1 10.0263 30.6039 -31.8383 CC32A 9704 9708 9709 9710 -0.01 9710 9708 H1B SLES 1 9.0125 30.9396 -31.583 HCA2 9707 0 0 0 0.09 9711 9709 H1A SLES 1 10.9792 30.836 -31.238 HCA2 9707 0 0 0 0.09 9712 9710 O1 SLES 1 10.027 29.5005 -30.9696 OC30A 9707 9711 0 0 -0.34 9713 9711 C1 SLES 1 9.6512 29.7127 -29.6162 CTL2 9710 9712 9713 9714 -0.18 9714 9712 H11 SLES 1 8.71376 30.314 -29.452 HAL2 9711 0 0 0 0.09 9715 9713 H12 SLES 1 10.4734 30.229 -29.0596 HAL2 9711 0 0 0 0.09 9716 9714 C2 SLES 1 9.47641 28.2585 -29.1806 CTL2 9711 9715 9716 9717 -0.18 9717 9715 H21 SLES 1 8.62232 27.7431 -29.6821 HAL2 9714 0 0 0 0.09 9718 9716 H22 SLES 1 10.4007 27.6459 -29.3172 HAL2 9714 0 0 0 0.09 9719 9717 C3 SLES 1 9.19148 28.3783 -27.7381 CTL2 9714 9718 9719 9720 -0.18 9720 9718 H31 SLES 1 8.25916 29.0034 -27.6795 HAL2 9717 0 0 0 0.09 9721 9719 H32 SLES 1 10.0866 28.9078 -27.309 HAL2 9717 0 0 0 0.09 9722 9720 C4 SLES 1 8.95969 27.1699 -26.8902 CTL2 9717 9721 9722 9723 -0.18 9723 9721 H41 SLES 1 8.07796 26.5838 -27.249 HAL2 9720 0 0 0 0.09 9724 9722 H42 SLES 1 9.8471 26.4943 -26.8931 HAL2 9720 0 0 0 0.09 9725 9723 C5 SLES 1 8.72706 27.8871 -25.5536 CTL2 9720 9724 9725 9726 -0.18 9726 9724 H51 SLES 1 7.86863 28.6056 -25.6367 HAL2 9723 0 0 0 0.09 9727 9725 H52 SLES 1 9.61645 28.5158 -25.285 HAL2 9723 0 0 0 0.09 9728 9726 C6 SLES 1 8.44851 27.0462 -24.3837 CTL2 9723 9727 9728 9729 -0.18 9729 9727 H61 SLES 1 7.46828 27.4036 -23.9663 HAL2 9726 0 0 0 0.09 9730 9728 H62 SLES 1 9.22097 27.3134 -23.6135 HAL2 9726 0 0 0 0.09 9731 9729 C7 SLES 1 8.41704 25.53 -24.6114 CTL2 9726 9730 9731 9732 -0.18 9732 9730 H71 SLES 1 7.61409 25.1928 -25.3087 HAL2 9729 0 0 0 0.09 9733 9731 H72 SLES 1 9.38849 25.1016 -24.9513 HAL2 9729 0 0 0 0.09 9734 9732 C8 SLES 1 8.11411 25.0916 -23.2245 CTL2 9729 9733 9734 9735 -0.18 9735 9733 H81 SLES 1 7.13779 25.5778 -22.9444 HAL2 9732 0 0 0 0.09 9736 9734 H82 SLES 1 8.95037 25.4856 -22.5797 HAL2 9732 0 0 0 0.09 9737 9735 C9 SLES 1 7.97574 23.6442 -22.904 CTL2 9732 9736 9737 9738 -0.18 9738 9736 H91 SLES 1 7.14471 23.1973 -23.4943 HAL2 9735 0 0 0 0.09 9739 9737 H92 SLES 1 8.92268 23.1069 -23.136 HAL2 9735 0 0 0 0.09 9740 9738 C10 SLES 1 7.6785 23.7236 -21.408 CTL2 9735 9739 9740 9741 -0.18 9741 9739 H10 SLES 1 6.75493 24.3393 -21.2343 HAL2 9738 0 0 0 0.09 9742 9740 H10 SLES 1 8.5196 24.249 -20.879 HAL2 9738 0 0 0 0.09 9743 9741 C11 SLES 1 7.47527 22.4066 -20.7321 CTL2 9738 9742 9743 9744 -0.18 9744 9742 H11 SLES 1 6.62633 21.8977 -21.2453 HAL2 9741 0 0 0 0.09 9745 9743 H11 SLES 1 8.40165 21.8067 -20.8883 HAL2 9741 0 0 0 0.09 9746 9744 C12 SLES 1 7.18749 22.6394 -19.2462 CTL3 9741 9745 9746 9747 -0.27 9747 9745 H12 SLES 1 6.18328 22.2504 -18.9886 HAL3 9744 0 0 0 0.09 9748 9746 H12 SLES 1 7.97099 22.159 -18.6282 HAL3 9744 0 0 0 0.09 9749 9747 H12 SLES 1 7.18904 23.7242 -18.9766 HAL3 9744 0 0 0 0.09 9750 9748 NA SLES 1 -2.36621 36.0682 -38.541 NA 0 0 0 0 1 9751 9749 S SLES 1 -4.42794 36.8596 -36.468 SL 9750 9751 9752 9753 1.33 9752 9750 OS1 SLES 1 -3.71318 35.7173 -35.8733 OSL 9749 9754 0 0 -0.28 9753 9751 OS2 SLES 1 -4.78428 36.0703 -37.6258 O2L 9749 0 0 0 -0.65 9754 9752 OS3 SLES 1 -3.19628 37.6048 -36.5902 O2L 9749 0 0 0 -0.65 9755 9753 OS4 SLES 1 -5.4323 37.2593 -35.5228 O2L 9749 0 0 0 -0.65 9756 9754 C2 SLES 1 -3.90894 35.1488 -34.6406 CC32A 9750 9755 9756 9757 -0.11 9757 9755 H2A SLES 1 -4.95496 34.7539 -34.5465 HCA2 9754 0 0 0 0.09 9758 9756 H2B SLES 1 -3.70817 35.8891 -33.8213 HCA2 9754 0 0 0 0.09 9759 9757 C1 SLES 1 -2.87054 34.0063 -34.6433 CC32A 9754 9758 9759 9760 -0.01 9760 9758 H1B SLES 1 -3.06274 33.2922 -35.4856 HCA2 9757 0 0 0 0.09 9761 9759 H1A SLES 1 -1.83389 34.4111 -34.7468 HCA2 9757 0 0 0 0.09 9762 9760 O1 SLES 1 -2.77907 33.1833 -33.526 OC30A 9757 9761 0 0 -0.34 9763 9761 C2 SLES 1 -3.66343 33.4262 -32.4473 CC32A 9760 9762 9763 9764 -0.01 9764 9762 H2A SLES 1 -4.73434 33.3329 -32.7877 HCA2 9761 0 0 0 0.09 9765 9763 H2B SLES 1 -3.51567 34.4477 -32.025 HCA2 9761 0 0 0 0.09 9766 9764 C1 SLES 1 -3.08746 32.1191 -31.7911 CC32A 9761 9765 9766 9767 -0.01 9767 9765 H1B SLES 1 -4.08594 31.6626 -31.8086 HCA2 9764 0 0 0 0.09 9768 9766 H1A SLES 1 -2.71892 32.8933 -31.0248 HCA2 9764 0 0 0 0.09 9769 9767 O1 SLES 1 -2.55833 31.2516 -30.8218 OC30A 9764 9768 0 0 -0.34 9770 9768 C1 SLES 1 -3.29169 31.0619 -29.6201 CTL2 9767 9769 9770 9771 -0.18 9771 9769 H11 SLES 1 -4.39234 30.858 -29.7397 HAL2 9768 0 0 0 0.09 9772 9770 H12 SLES 1 -3.19458 31.9591 -28.9582 HAL2 9768 0 0 0 0.09 9773 9771 C2 SLES 1 -2.54619 29.8475 -29.0683 CTL2 9768 9772 9773 9774 -0.18 9774 9772 H21 SLES 1 -2.67961 28.9257 -29.6839 HAL2 9771 0 0 0 0.09 9775 9773 H22 SLES 1 -1.45383 30.0324 -28.9236 HAL2 9771 0 0 0 0.09 9776 9774 C3 SLES 1 -3.17541 29.6455 -27.7494 CTL2 9771 9775 9776 9777 -0.18 9777 9775 H31 SLES 1 -4.26286 29.4697 -27.9728 HAL2 9774 0 0 0 0.09 9778 9776 H32 SLES 1 -3.00507 30.6103 -27.1963 HAL2 9774 0 0 0 0.09 9779 9777 C4 SLES 1 -2.7342 28.5451 -26.8397 CTL2 9774 9778 9779 9780 -0.18 9780 9778 H41 SLES 1 -2.87419 27.543 -27.3152 HAL2 9777 0 0 0 0.09 9781 9779 H42 SLES 1 -1.65794 28.6498 -26.5666 HAL2 9777 0 0 0 0.09 9782 9780 C5 SLES 1 -3.70112 28.8239 -25.6811 CTL2 9777 9781 9782 9783 -0.18 9783 9781 H51 SLES 1 -4.76492 28.7761 -26.0361 HAL2 9780 0 0 0 0.09 9784 9782 H52 SLES 1 -3.56242 29.8684 -25.2962 HAL2 9780 0 0 0 0.09 9785 9783 C6 SLES 1 -3.61663 27.9397 -24.513 CTL2 9780 9784 9785 9786 -0.18 9786 9784 H61 SLES 1 -4.64533 27.511 -24.3687 HAL2 9783 0 0 0 0.09 9787 9785 H62 SLES 1 -3.43936 28.6062 -23.6266 HAL2 9783 0 0 0 0.09 9788 9786 C7 SLES 1 -2.56852 26.8215 -24.5642 CTL2 9783 9787 9788 9789 -0.18 9789 9787 H71 SLES 1 -2.73798 26.0781 -25.3786 HAL2 9786 0 0 0 0.09 9790 9788 H72 SLES 1 -1.51726 27.1871 -24.6271 HAL2 9786 0 0 0 0.09 9791 9789 C8 SLES 1 -2.82316 26.2015 -23.2382 CTL2 9786 9790 9791 9792 -0.18 9792 9790 H81 SLES 1 -3.90216 25.8792 -23.2409 HAL2 9789 0 0 0 0.09 9793 9791 H82 SLES 1 -2.65571 27.0126 -22.4737 HAL2 9789 0 0 0 0.09 9794 9792 C9 SLES 1 -2.02878 25.0245 -22.7905 CTL2 9789 9793 9794 9795 -0.18 9795 9793 H91 SLES 1 -2.17044 24.1745 -23.4949 HAL2 9792 0 0 0 0.09 9796 9794 H92 SLES 1 -0.947903 25.2863 -22.7418 HAL2 9792 0 0 0 0.09 9797 9795 C10 SLES 1 -2.65253 24.7809 -21.4179 CTL2 9792 9796 9797 9798 -0.18 9798 9796 H10 SLES 1 -3.7554 24.5964 -21.5268 HAL2 9795 0 0 0 0.09 9799 9797 H10 SLES 1 -2.54162 25.6995 -20.7796 HAL2 9795 0 0 0 0.09 9800 9798 C11 SLES 1 -2.07701 23.6318 -20.6557 CTL2 9795 9799 9800 9801 -0.18 9801 9799 H11 SLES 1 -2.20834 22.719 -21.2823 HAL2 9798 0 0 0 0.09 9802 9800 H11 SLES 1 -0.986977 23.8286 -20.531 HAL2 9798 0 0 0 0.09 9803 9801 C12 SLES 1 -2.79437 23.5078 -19.3086 CTL3 9798 9802 9803 9804 -0.27 9804 9802 H12 SLES 1 -3.30145 22.526 -19.2376 HAL3 9801 0 0 0 0.09 9805 9803 H12 SLES 1 -2.07198 23.6435 -18.4802 HAL3 9801 0 0 0 0.09 9806 9804 H12 SLES 1 -3.5848 24.2865 -19.1733 HAL3 9801 0 0 0 0.09 9807 9805 NA SLES 1 -16.6883 32.7175 -38.111 NA 0 0 0 0 1 9808 9806 S SLES 1 -19.083 31.5965 -36.6335 SL 9807 9808 9809 9810 1.33 9809 9807 OS1 SLES 1 -17.9148 31.1407 -35.8609 OSL 9806 9811 0 0 -0.28 9810 9808 OS2 SLES 1 -18.5715 30.9683 -37.8312 O2L 9806 0 0 0 -0.65 9811 9809 OS3 SLES 1 -18.6995 32.9779 -36.4548 O2L 9806 0 0 0 -0.65 9812 9810 OS4 SLES 1 -20.2467 31.0711 -35.9765 O2L 9806 0 0 0 -0.65 9813 9811 C2 SLES 1 -17.9036 30.3981 -34.7078 CC32A 9807 9812 9813 9814 -0.11 9814 9812 H2A SLES 1 -18.3898 29.4004 -34.8727 HCA2 9811 0 0 0 0.09 9815 9813 H2B SLES 1 -18.4257 30.9413 -33.876 HCA2 9811 0 0 0 0.09 9816 9814 C1 SLES 1 -16.3915 30.2524 -34.4323 CC32A 9811 9815 9816 9817 -0.01 9817 9815 H1B SLES 1 -15.8767 29.7376 -35.2846 HCA2 9814 0 0 0 0.09 9818 9816 H1A SLES 1 -15.9168 31.2526 -34.279 HCA2 9814 0 0 0 0.09 9819 9817 O1 SLES 1 -15.9816 29.5328 -33.3151 OC30A 9814 9818 0 0 -0.34 9820 9818 C2 SLES 1 -16.9797 28.951 -32.4963 CC32A 9817 9819 9820 9821 -0.01 9821 9819 H2A SLES 1 -17.6051 28.2268 -33.0928 HCA2 9818 0 0 0 0.09 9822 9820 H2B SLES 1 -17.6542 29.7281 -32.0665 HCA2 9818 0 0 0 0.09 9823 9821 C1 SLES 1 -15.8088 28.2728 -31.6963 CC32A 9818 9822 9823 9824 -0.01 9824 9822 H1B SLES 1 -16.1979 27.2795 -31.9564 HCA2 9821 0 0 0 0.09 9825 9823 H1A SLES 1 -16.2255 28.9606 -30.8743 HCA2 9821 0 0 0 0.09 9826 9824 O1 SLES 1 -15.0315 27.8348 -30.6119 OC30A 9821 9825 0 0 -0.34 9827 9825 C1 SLES 1 -15.6517 27.0173 -29.6295 CTL2 9824 9826 9827 9828 -0.18 9828 9826 H11 SLES 1 -16.2654 26.1572 -30.0179 HAL2 9825 0 0 0 0.09 9829 9827 H12 SLES 1 -16.3235 27.6317 -28.9786 HAL2 9825 0 0 0 0.09 9830 9828 C2 SLES 1 -14.4044 26.5361 -28.8895 CTL2 9825 9829 9830 9831 -0.18 9831 9829 H21 SLES 1 -13.7503 25.8723 -29.5045 HAL2 9828 0 0 0 0.09 9832 9830 H22 SLES 1 -13.7884 27.3728 -28.4787 HAL2 9828 0 0 0 0.09 9833 9831 C3 SLES 1 -14.9654 25.76 -27.7674 CTL2 9828 9832 9833 9834 -0.18 9834 9832 H31 SLES 1 -15.5688 24.9457 -28.2535 HAL2 9831 0 0 0 0.09 9835 9833 H32 SLES 1 -15.6106 26.4897 -27.2045 HAL2 9831 0 0 0 0.09 9836 9834 C4 SLES 1 -14.0796 25.1029 -26.7591 CTL2 9831 9835 9836 9837 -0.18 9837 9835 H41 SLES 1 -13.4026 24.3536 -27.2388 HAL2 9834 0 0 0 0.09 9838 9836 H42 SLES 1 -13.4451 25.8497 -26.2267 HAL2 9834 0 0 0 0.09 9839 9837 C5 SLES 1 -15.1758 24.4798 -25.8843 CTL2 9834 9838 9839 9840 -0.18 9840 9838 H51 SLES 1 -15.8244 23.7959 -26.4939 HAL2 9837 0 0 0 0.09 9841 9839 H52 SLES 1 -15.8651 25.2737 -25.4934 HAL2 9837 0 0 0 0.09 9842 9840 C6 SLES 1 -14.739 23.7028 -24.7187 CTL2 9837 9841 9842 9843 -0.18 9843 9841 H61 SLES 1 -15.1997 22.6838 -24.83 HAL2 9840 0 0 0 0.09 9844 9842 H62 SLES 1 -15.2403 24.1657 -23.8267 HAL2 9840 0 0 0 0.09 9845 9843 C7 SLES 1 -13.2272 23.589 -24.488 CTL2 9840 9844 9845 9846 -0.18 9846 9844 H71 SLES 1 -12.6819 23.0635 -25.3072 HAL2 9843 0 0 0 0.09 9847 9845 H72 SLES 1 -12.7233 24.5637 -24.2912 HAL2 9843 0 0 0 0.09 9848 9846 C8 SLES 1 -13.2404 22.7548 -23.2586 CTL2 9843 9847 9848 9849 -0.18 9849 9847 H81 SLES 1 -13.7806 21.8038 -23.5266 HAL2 9846 0 0 0 0.09 9850 9848 H82 SLES 1 -13.8238 23.3365 -22.4893 HAL2 9846 0 0 0 0.09 9851 9849 C9 SLES 1 -11.964 22.3499 -22.6078 CTL2 9846 9850 9851 9852 -0.18 9852 9850 H91 SLES 1 -11.3476 21.7474 -23.3119 HAL2 9849 0 0 0 0.09 9853 9851 H92 SLES 1 -11.39 23.2506 -22.2939 HAL2 9849 0 0 0 0.09 9854 9852 C10 SLES 1 -12.5032 21.5385 -21.4316 CTL2 9849 9853 9854 9855 -0.18 9855 9853 H10 SLES 1 -13.1337 20.6893 -21.8106 HAL2 9852 0 0 0 0.09 9856 9854 H10 SLES 1 -13.1753 22.1814 -20.8004 HAL2 9852 0 0 0 0.09 9857 9855 C11 SLES 1 -11.4609 20.9585 -20.5317 CTL2 9852 9856 9857 9858 -0.18 9858 9856 H11 SLES 1 -10.8094 20.3044 -21.1568 HAL2 9855 0 0 0 0.09 9859 9857 H11 SLES 1 -10.8509 21.8056 -20.1409 HAL2 9855 0 0 0 0.09 9860 9858 C12 SLES 1 -12.1428 20.1764 -19.4056 CTL3 9855 9859 9860 9861 -0.27 9861 9859 H12 SLES 1 -11.8442 19.111 -19.4486 HAL3 9858 0 0 0 0.09 9862 9860 H12 SLES 1 -11.8865 20.6224 -18.4248 HAL3 9858 0 0 0 0.09 9863 9861 H12 SLES 1 -13.2575 20.1995 -19.4849 HAL3 9858 0 0 0 0.09 9864 9862 NA SLES 1 -29.001 23.6242 -37.597 NA 0 0 0 0 1 9865 9863 S SLES 1 -30.1092 20.912 -36.8285 SL 9864 9865 9866 9867 1.33 9866 9864 OS1 SLES 1 -29.0448 21.1777 -35.8458 OSL 9863 9868 0 0 -0.28 9867 9865 OS2 SLES 1 -29.1763 21.0653 -37.9226 O2L 9863 0 0 0 -0.65 9868 9866 OS3 SLES 1 -30.806 22.1179 -36.4443 O2L 9863 0 0 0 -0.65 9869 9867 OS4 SLES 1 -30.6542 19.6217 -36.5126 O2L 9863 0 0 0 -0.65 9870 9868 C2 SLES 1 -28.6541 20.3914 -34.7921 CC32A 9864 9869 9870 9871 -0.11 9871 9869 H2A SLES 1 -28.2967 19.3912 -35.1536 HCA2 9868 0 0 0 0.09 9872 9870 H2B SLES 1 -29.4952 20.2523 -34.0622 HCA2 9868 0 0 0 0.09 9873 9871 C1 SLES 1 -27.5015 21.218 -34.1824 CC32A 9868 9872 9873 9874 -0.01 9874 9872 H1B SLES 1 -26.6829 21.3774 -34.9313 HCA2 9871 0 0 0 0.09 9875 9873 H1A SLES 1 -27.8675 22.2152 -33.8346 HCA2 9871 0 0 0 0.09 9876 9874 O1 SLES 1 -26.8371 20.7182 -33.0675 OC30A 9871 9875 0 0 -0.34 9877 9875 C2 SLES 1 -27.2428 19.4598 -32.5608 CC32A 9874 9876 9877 9878 -0.01 9878 9876 H2A SLES 1 -27.1252 18.6619 -33.3489 HCA2 9875 0 0 0 0.09 9879 9877 H2B SLES 1 -28.3092 19.4792 -32.2354 HCA2 9875 0 0 0 0.09 9880 9878 C1 SLES 1 -26.0264 19.561 -31.5704 CC32A 9875 9879 9880 9881 -0.01 9881 9879 H1B SLES 1 -25.5918 18.6491 -32.0008 HCA2 9878 0 0 0 0.09 9882 9880 H1A SLES 1 -26.8905 19.5974 -30.8126 HCA2 9878 0 0 0 0.09 9883 9881 O1 SLES 1 -25.2891 19.5126 -30.3762 OC30A 9878 9882 0 0 -0.34 9884 9882 C1 SLES 1 -25.28 18.296 -29.6429 CTL2 9881 9883 9884 9885 -0.18 9885 9883 H11 SLES 1 -25.0837 17.3612 -30.2386 HAL2 9882 0 0 0 0.09 9886 9884 H12 SLES 1 -26.2571 18.1504 -29.1171 HAL2 9882 0 0 0 0.09 9887 9885 C2 SLES 1 -24.1378 18.6027 -28.6753 CTL2 9882 9886 9887 9888 -0.18 9888 9886 H21 SLES 1 -23.1433 18.693 -29.1749 HAL2 9885 0 0 0 0.09 9889 9887 H22 SLES 1 -24.3188 19.5171 -28.0593 HAL2 9885 0 0 0 0.09 9890 9888 C3 SLES 1 -24.1304 17.4233 -27.7892 CTL2 9885 9889 9890 9891 -0.18 9891 9889 H31 SLES 1 -23.9475 16.5502 -28.473 HAL2 9888 0 0 0 0.09 9892 9890 H32 SLES 1 -25.1582 17.398 -27.3322 HAL2 9888 0 0 0 0.09 9893 9891 C4 SLES 1 -23.156 17.3057 -26.6624 CTL2 9888 9892 9893 9894 -0.18 9894 9892 H41 SLES 1 -22.1014 17.3191 -27.033 HAL2 9891 0 0 0 0.09 9895 9893 H42 SLES 1 -23.2755 18.1402 -25.9322 HAL2 9891 0 0 0 0.09 9896 9894 C5 SLES 1 -23.6098 15.9405 -26.1281 CTL2 9891 9895 9896 9897 -0.18 9897 9895 H51 SLES 1 -23.5352 15.1592 -26.9307 HAL2 9894 0 0 0 0.09 9898 9896 H52 SLES 1 -24.6941 15.971 -25.8423 HAL2 9894 0 0 0 0.09 9899 9897 C6 SLES 1 -22.892 15.4061 -24.9651 CTL2 9894 9898 9899 9900 -0.18 9900 9898 H61 SLES 1 -22.5076 14.3953 -25.2706 HAL2 9897 0 0 0 0.09 9901 9899 H62 SLES 1 -23.6697 15.2093 -24.1791 HAL2 9897 0 0 0 0.09 9902 9900 C7 SLES 1 -21.7566 16.2655 -24.3961 CTL2 9897 9901 9902 9903 -0.18 9903 9901 H71 SLES 1 -20.9124 16.4298 -25.1068 HAL2 9900 0 0 0 0.09 9904 9902 H72 SLES 1 -22.089 17.2537 -24.0016 HAL2 9900 0 0 0 0.09 9905 9903 C8 SLES 1 -21.3288 15.3801 -23.2823 CTL2 9900 9904 9905 9906 -0.18 9906 9904 H81 SLES 1 -21.0307 14.4011 -23.7522 HAL2 9903 0 0 0 0.09 9907 9905 H82 SLES 1 -22.2333 15.2425 -22.624 HAL2 9903 0 0 0 0.09 9908 9906 C9 SLES 1 -20.2084 15.781 -22.3875 CTL2 9903 9907 9908 9909 -0.18 9909 9907 H91 SLES 1 -19.2731 15.9106 -22.9767 HAL2 9906 0 0 0 0.09 9910 9908 H92 SLES 1 -20.4527 16.7356 -21.8696 HAL2 9906 0 0 0 0.09 9911 9909 C10 SLES 1 -20.1671 14.5783 -21.447 CTL2 9906 9910 9911 9912 -0.18 9912 9910 H10 SLES 1 -19.9914 13.6382 -22.0366 HAL2 9909 0 0 0 0.09 9913 9911 H10 SLES 1 -21.1619 14.4575 -20.9378 HAL2 9909 0 0 0 0.09 9914 9912 C11 SLES 1 -19.1216 14.6433 -20.3815 CTL2 9909 9913 9914 9915 -0.18 9915 9913 H11 SLES 1 -18.1346 14.7412 -20.8906 HAL2 9912 0 0 0 0.09 9916 9914 H11 SLES 1 -19.3119 15.5658 -19.7854 HAL2 9912 0 0 0 0.09 9917 9915 C12 SLES 1 -19.1972 13.3793 -19.5204 CTL3 9912 9916 9917 9918 -0.27 9918 9916 H12 SLES 1 -18.2446 12.8185 -19.5851 HAL3 9915 0 0 0 0.09 9919 9917 H12 SLES 1 -19.4304 13.6481 -18.4717 HAL3 9915 0 0 0 0.09 9920 9918 H12 SLES 1 -20.0027 12.6815 -19.8575 HAL3 9915 0 0 0 0.09 9921 9919 NA SLES 1 -36.7926 9.73079 -37.0878 NA 0 0 0 0 1 9922 9920 S SLES 1 -35.751 6.88741 -37.0195 SL 9921 9922 9923 9924 1.33 9923 9921 OS1 SLES 1 -35.1679 7.53226 -35.8306 OSL 9920 9925 0 0 -0.28 9924 9922 OS2 SLES 1 -35.1646 7.88688 -37.8843 O2L 9920 0 0 0 -0.65 9925 9923 OS3 SLES 1 -37.0886 7.18326 -36.5605 O2L 9920 0 0 0 -0.65 9926 9924 OS4 SLES 1 -35.268 5.53531 -37.0382 O2L 9920 0 0 0 -0.65 9927 9925 C2 SLES 1 -34.356 6.97007 -34.8788 CC32A 9921 9926 9927 9928 -0.11 9928 9926 H2A SLES 1 -33.4067 6.58955 -35.3405 HCA2 9925 0 0 0 0.09 9929 9927 H2B SLES 1 -34.8813 6.13261 -34.3476 HCA2 9925 0 0 0 0.09 9930 9928 C1 SLES 1 -34.0886 8.16359 -33.9367 CC32A 9925 9929 9930 9931 -0.01 9931 9929 H1B SLES 1 -33.5933 9.00525 -34.4868 HCA2 9928 0 0 0 0.09 9932 9930 H1A SLES 1 -35.0418 8.53958 -33.4905 HCA2 9928 0 0 0 0.09 9933 9931 O1 SLES 1 -33.274 7.9695 -32.8263 OC30A 9928 9932 0 0 -0.34 9934 9932 C2 SLES 1 -32.7133 6.68427 -32.6298 CC32A 9931 9933 9934 9935 -0.01 9935 9933 H2A SLES 1 -32.0729 6.39532 -33.5117 HCA2 9932 0 0 0 0.09 9936 9934 H2B SLES 1 -33.5072 5.91151 -32.5026 HCA2 9932 0 0 0 0.09 9937 9935 C1 SLES 1 -31.9068 7.31142 -31.4352 CC32A 9932 9936 9937 9938 -0.01 9938 9936 H1B SLES 1 -30.9611 7.06168 -31.9341 HCA2 9935 0 0 0 0.09 9939 9937 H1A SLES 1 -32.5694 6.57585 -30.8502 HCA2 9935 0 0 0 0.09 9940 9938 O1 SLES 1 -31.3491 7.46491 -30.1556 OC30A 9935 9939 0 0 -0.34 9941 9939 C1 SLES 1 -30.5172 6.42654 -29.6579 CTL2 9938 9940 9941 9942 -0.18 9942 9940 H11 SLES 1 -29.7277 6.0446 -30.3637 HAL2 9939 0 0 0 0.09 9943 9941 H12 SLES 1 -31.1351 5.54578 -29.3498 HAL2 9939 0 0 0 0.09 9944 9942 C2 SLES 1 -29.9052 7.15567 -28.4626 CTL2 9939 9943 9944 9945 -0.18 9945 9943 H21 SLES 1 -29.2371 8.00215 -28.752 HAL2 9942 0 0 0 0.09 9946 9944 H22 SLES 1 -30.6698 7.52818 -27.7381 HAL2 9942 0 0 0 0.09 9947 9945 C3 SLES 1 -29.1017 6.1041 -27.8109 CTL2 9942 9946 9947 9948 -0.18 9948 9946 H31 SLES 1 -28.3632 5.7791 -28.5934 HAL2 9945 0 0 0 0.09 9949 9947 H32 SLES 1 -29.8381 5.29222 -27.5572 HAL2 9945 0 0 0 0.09 9950 9948 C4 SLES 1 -28.3231 6.38224 -26.5661 CTL2 9945 9949 9950 9951 -0.18 9951 9949 H41 SLES 1 -27.5599 7.18181 -26.7334 HAL2 9948 0 0 0 0.09 9952 9950 H42 SLES 1 -28.9894 6.71028 -25.7341 HAL2 9948 0 0 0 0.09 9953 9951 C5 SLES 1 -27.7245 4.98278 -26.3703 CTL2 9948 9952 9953 9954 -0.18 9954 9952 H51 SLES 1 -27.1267 4.68092 -27.2711 HAL2 9951 0 0 0 0.09 9955 9953 H52 SLES 1 -28.5386 4.21595 -26.2827 HAL2 9951 0 0 0 0.09 9956 9954 C6 SLES 1 -26.8479 4.78753 -25.2098 CTL2 9951 9955 9956 9957 -0.18 9957 9955 H61 SLES 1 -25.8724 4.40334 -25.6143 HAL2 9954 0 0 0 0.09 9958 9956 H62 SLES 1 -27.2882 3.93716 -24.623 HAL2 9954 0 0 0 0.09 9959 9957 C7 SLES 1 -26.6152 6.00307 -24.3044 CTL2 9954 9958 9959 9960 -0.18 9960 9958 H71 SLES 1 -26.105 6.85553 -24.812 HAL2 9957 0 0 0 0.09 9961 9959 H72 SLES 1 -27.5383 6.38325 -23.8084 HAL2 9957 0 0 0 0.09 9962 9960 C8 SLES 1 -25.709 5.38021 -23.3052 CTL2 9957 9961 9962 9963 -0.18 9963 9961 H81 SLES 1 -24.8164 5.00271 -23.8786 HAL2 9960 0 0 0 0.09 9964 9962 H82 SLES 1 -26.2808 4.51988 -22.8543 HAL2 9960 0 0 0 0.09 9965 9963 C9 SLES 1 -25.1766 6.1798 -22.1676 CTL2 9960 9964 9965 9966 -0.18 9966 9964 H91 SLES 1 -24.5776 7.03747 -22.5475 HAL2 9963 0 0 0 0.09 9967 9965 H92 SLES 1 -26.0139 6.56351 -21.5424 HAL2 9963 0 0 0 0.09 9968 9966 C10 SLES 1 -24.333 5.12057 -21.4613 CTL2 9963 9967 9968 9969 -0.18 9969 9967 H10 SLES 1 -23.5549 4.71972 -22.1657 HAL2 9966 0 0 0 0.09 9970 9968 H10 SLES 1 -24.9805 4.24986 -21.168 HAL2 9966 0 0 0 0.09 9971 9969 C11 SLES 1 -23.627 5.59024 -20.231 CTL2 9966 9970 9971 9972 -0.18 9972 9970 H11 SLES 1 -22.9694 6.43959 -20.5296 HAL2 9969 0 0 0 0.09 9973 9971 H11 SLES 1 -24.4036 5.96735 -19.526 HAL2 9969 0 0 0 0.09 9974 9972 C12 SLES 1 -22.8257 4.43032 -19.6332 CTL3 9969 9973 9974 9975 -0.27 9975 9973 H12 SLES 1 -21.7468 4.67955 -19.6236 HAL3 9972 0 0 0 0.09 9976 9974 H12 SLES 1 -23.1908 4.20318 -18.6127 HAL3 9972 0 0 0 0.09 9977 9975 H12 SLES 1 -22.9312 3.48896 -20.2266 HAL3 9972 0 0 0 0.09 9978 9976 NA SLES 1 -37.9919 -6.69734 -36.6716 NA 0 0 0 0 1 9979 9977 S SLES 1 -35.3079 -8.00833 -37.1733 SL 9978 9979 9980 9981 1.33 9980 9978 OS1 SLES 1 -35.204 -7.4409 -35.8181 OSL 9977 9982 0 0 -0.28 9981 9979 OS2 SLES 1 -35.6298 -6.71024 -37.7228 O2L 9977 0 0 0 -0.65 9982 9980 OS3 SLES 1 -36.4463 -8.80786 -36.7834 O2L 9977 0 0 0 -0.65 9983 9981 OS4 SLES 1 -34.0453 -8.62803 -37.4625 O2L 9977 0 0 0 -0.65 9984 9982 C2 SLES 1 -34.1419 -7.51146 -34.9531 CC32A 9978 9983 9984 9985 -0.11 9985 9983 H2A SLES 1 -33.2318 -7.03205 -35.4012 HCA2 9982 0 0 0 0.09 9986 9984 H2B SLES 1 -33.915 -8.57685 -34.683 HCA2 9982 0 0 0 0.09 9987 9985 C1 SLES 1 -34.6618 -6.71377 -33.7378 CC32A 9982 9986 9987 9988 -0.01 9988 9986 H1B SLES 1 -34.9153 -5.66125 -34.028 HCA2 9985 0 0 0 0.09 9989 9987 H1A SLES 1 -35.5732 -7.19548 -33.3061 HCA2 9985 0 0 0 0.09 9990 9988 O1 SLES 1 -33.8308 -6.56122 -32.6331 OC30A 9985 9989 0 0 -0.34 9991 9989 C2 SLES 1 -32.5363 -7.13195 -32.6912 CC32A 9988 9990 9991 9992 -0.01 9992 9990 H2A SLES 1 -31.9532 -6.6979 -33.5533 HCA2 9989 0 0 0 0.09 9993 9991 H2B SLES 1 -32.5873 -8.23825 -32.8219 HCA2 9989 0 0 0 0.09 9994 9992 C1 SLES 1 -32.2561 -6.42802 -31.314 CC32A 9989 9993 9994 9995 -0.01 9995 9993 H1B SLES 1 -31.44 -5.85049 -31.7679 HCA2 9992 0 0 0 0.09 9996 9994 H1A SLES 1 -32.1935 -7.52682 -30.9806 HCA2 9992 0 0 0 0.09 9997 9995 O1 SLES 1 -31.8319 -6.24383 -29.988 OC30A 9992 9996 0 0 -0.34 9998 9996 C1 SLES 1 -30.4766 -6.52913 -29.672 CTL2 9995 9997 9998 9999 -0.18 9999 9997 H11 SLES 1 -29.7053 -6.10119 -30.3715 HAL2 9996 0 0 0 0.09 10000 9998 H12 SLES 1 -30.3091 -7.63509 -29.6364 HAL2 9996 0 0 0 0.09 10001 9999 C2 SLES 1 -30.4077 -5.88467 -28.2882 CTL2 9996 10000 10001 10002 -0.18 10002 10000 H21 SLES 1 -30.5136 -4.77336 -28.309 HAL2 9999 0 0 0 0.09 10003 10001 H22 SLES 1 -31.1527 -6.30686 -27.5705 HAL2 9999 0 0 0 0.09 10004 10002 C3 SLES 1 -29.0502 -6.23431 -27.8287 CTL2 9999 10003 10004 10005 -0.18 10005 10003 H31 SLES 1 -28.3618 -5.7828 -28.594 HAL2 10002 0 0 0 0.09 10006 10004 H32 SLES 1 -29.021 -7.35893 -27.8408 HAL2 10002 0 0 0 0.09 10007 10005 C4 SLES 1 -28.551 -5.80584 -26.487 CTL2 10002 10006 10007 10008 -0.18 10008 10006 H41 SLES 1 -28.5443 -4.692 -26.3918 HAL2 10005 0 0 0 0.09 10009 10007 H42 SLES 1 -29.1839 -6.21822 -25.6666 HAL2 10005 0 0 0 0.09 10010 10008 C5 SLES 1 -27.1519 -6.43113 -26.569 CTL2 10005 10009 10010 10011 -0.18 10011 10009 H51 SLES 1 -26.5931 -6.03037 -27.4563 HAL2 10008 0 0 0 0.09 10012 10010 H52 SLES 1 -27.2253 -7.53761 -26.7385 HAL2 10008 0 0 0 0.09 10013 10011 C6 SLES 1 -26.27 -6.24934 -25.4104 CTL2 10008 10012 10013 10014 -0.18 10014 10012 H61 SLES 1 -25.3328 -5.76815 -25.8015 HAL2 10011 0 0 0 0.09 10015 10013 H62 SLES 1 -25.9668 -7.27952 -25.0816 HAL2 10011 0 0 0 0.09 10016 10014 C7 SLES 1 -26.8335 -5.45092 -24.2286 CTL2 10011 10015 10016 10017 -0.18 10017 10015 H71 SLES 1 -27.0795 -4.39075 -24.4738 HAL2 10014 0 0 0 0.09 10018 10016 H72 SLES 1 -27.7211 -5.92104 -23.745 HAL2 10014 0 0 0 0.09 10019 10017 C8 SLES 1 -25.657 -5.5117 -23.3232 CTL2 10014 10018 10019 10020 -0.18 10020 10018 H81 SLES 1 -24.8008 -5.04215 -23.884 HAL2 10017 0 0 0 0.09 10021 10019 H82 SLES 1 -25.4562 -6.60564 -23.1405 HAL2 10017 0 0 0 0.09 10022 10020 C9 SLES 1 -25.6992 -4.85784 -21.9862 CTL2 10017 10021 10022 10023 -0.18 10023 10021 H91 SLES 1 -25.8718 -3.76407 -22.0984 HAL2 10020 0 0 0 0.09 10024 10022 H92 SLES 1 -26.5142 -5.29789 -21.3687 HAL2 10020 0 0 0 0.09 10025 10023 C10 SLES 1 -24.3021 -5.19864 -21.472 CTL2 10020 10024 10025 10026 -0.18 10026 10024 H10 SLES 1 -23.5264 -4.792 -22.1756 HAL2 10023 0 0 0 0.09 10027 10025 H10 SLES 1 -24.1644 -6.31402 -21.4512 HAL2 10023 0 0 0 0.09 10028 10026 C11 SLES 1 -23.9864 -4.68122 -20.1063 CTL2 10023 10027 10028 10029 -0.18 10029 10027 H11 SLES 1 -24.1028 -3.57279 -20.1363 HAL2 10026 0 0 0 0.09 10030 10028 H11 SLES 1 -24.7451 -5.10374 -19.4075 HAL2 10026 0 0 0 0.09 10031 10029 C12 SLES 1 -22.5626 -5.0958 -19.7245 CTL3 10026 10030 10031 10032 -0.27 10032 10030 H12 SLES 1 -21.9376 -4.19717 -19.5575 HAL3 10029 0 0 0 0.09 10033 10031 H12 SLES 1 -22.5835 -5.73925 -18.8234 HAL3 10029 0 0 0 0.09 10034 10032 H12 SLES 1 -22.0613 -5.68898 -20.5285 HAL3 10029 0 0 0 0.09 10035 10033 NA SLES 1 -31.8053 -22.3732 -36.4203 NA 0 0 0 0 1 10036 10034 S SLES 1 -29.0729 -21.3743 -37.2633 SL 10035 10036 10037 10038 1.33 10037 10035 OS1 SLES 1 -29.1293 -21.14 -35.8103 OSL 10034 10039 0 0 -0.28 10038 10036 OS2 SLES 1 -30.264 -20.5801 -37.4662 O2L 10034 0 0 0 -0.65 10039 10037 OS3 SLES 1 -29.3041 -22.7878 -37.0744 O2L 10034 0 0 0 -0.65 10040 10038 OS4 SLES 1 -27.7952 -20.8971 -37.7122 O2L 10034 0 0 0 -0.65 10041 10039 C2 SLES 1 -28.1536 -20.6147 -35.0021 CC32A 10035 10040 10041 10042 -0.11 10042 10040 H2A SLES 1 -27.8877 -19.5737 -35.3252 HCA2 10039 0 0 0 0.09 10043 10041 H2B SLES 1 -27.2356 -21.2603 -35.0103 HCA2 10039 0 0 0 0.09 10044 10042 C1 SLES 1 -28.8417 -20.6202 -33.62 CC32A 10039 10043 10044 10045 -0.01 10045 10043 H1B SLES 1 -29.7743 -19.9984 -33.6342 HCA2 10042 0 0 0 0.09 10046 10044 H1A SLES 1 -29.1101 -21.6609 -33.3133 HCA2 10042 0 0 0 0.09 10047 10045 O1 SLES 1 -28.139 -20.1374 -32.5213 OC30A 10042 10046 0 0 -0.34 10048 10046 C2 SLES 1 -26.8289 -19.6444 -32.7345 CC32A 10045 10047 10048 10049 -0.01 10049 10047 H2A SLES 1 -26.8455 -18.7866 -33.4662 HCA2 10046 0 0 0 0.09 10050 10048 H2B SLES 1 -26.1582 -20.4387 -33.1379 HCA2 10046 0 0 0 0.09 10051 10049 C1 SLES 1 -26.843 -19.1967 -31.2278 CC32A 10046 10050 10051 10052 -0.01 10052 10050 H1B SLES 1 -26.7115 -18.1496 -31.531 HCA2 10049 0 0 0 0.09 10053 10051 H1A SLES 1 -26.0114 -19.9896 -31.1814 HCA2 10049 0 0 0 0.09 10054 10052 O1 SLES 1 -26.4179 -19.0091 -29.9026 OC30A 10049 10053 0 0 -0.34 10055 10053 C1 SLES 1 -25.1851 -18.3383 -29.6827 CTL2 10052 10054 10055 10056 -0.18 10056 10054 H11 SLES 1 -25.0314 -17.3846 -30.2606 HAL2 10053 0 0 0 0.09 10057 10055 H12 SLES 1 -24.3256 -19.012 -29.9275 HAL2 10053 0 0 0 0.09 10058 10056 C2 SLES 1 -25.3128 -18.0786 -28.1823 CTL2 10053 10057 10058 10059 -0.18 10059 10057 H21 SLES 1 -26.1282 -17.3615 -27.9224 HAL2 10056 0 0 0 0.09 10060 10058 H22 SLES 1 -25.4478 -19.0135 -27.5856 HAL2 10056 0 0 0 0.09 10061 10059 C3 SLES 1 -24.0101 -17.477 -27.8397 CTL2 10056 10060 10061 10062 -0.18 10062 10060 H31 SLES 1 -23.9441 -16.5518 -28.4744 HAL2 10059 0 0 0 0.09 10063 10061 H32 SLES 1 -23.2476 -18.2503 -28.1338 HAL2 10059 0 0 0 0.09 10064 10062 C4 SLES 1 -23.6889 -17.068 -26.4388 CTL2 10059 10063 10064 10065 -0.18 10065 10063 H41 SLES 1 -24.4031 -16.2924 -26.0672 HAL2 10062 0 0 0 0.09 10066 10064 H42 SLES 1 -23.7304 -17.9373 -25.7413 HAL2 10062 0 0 0 0.09 10067 10065 C5 SLES 1 -22.2708 -16.5377 -26.6899 CTL2 10062 10066 10067 10068 -0.18 10068 10066 H51 SLES 1 -22.2877 -15.7157 -27.4541 HAL2 10065 0 0 0 0.09 10069 10067 H52 SLES 1 -21.6234 -17.3408 -27.1308 HAL2 10065 0 0 0 0.09 10070 10068 C6 SLES 1 -21.5406 -16.0089 -25.5322 CTL2 10065 10069 10070 10071 -0.18 10071 10069 H61 SLES 1 -21.2459 -14.9581 -25.8 HAL2 10068 0 0 0 0.09 10072 10070 H62 SLES 1 -20.5798 -16.5877 -25.4756 HAL2 10068 0 0 0 0.09 10073 10071 C7 SLES 1 -22.267 -16.0378 -24.182 CTL2 10068 10072 10073 10074 -0.18 10074 10072 H71 SLES 1 -23.191 -15.4134 -24.1507 HAL2 10071 0 0 0 0.09 10075 10073 H72 SLES 1 -22.5163 -17.0631 -23.8223 HAL2 10071 0 0 0 0.09 10076 10074 C8 SLES 1 -21.2072 -15.4343 -23.3333 CTL2 10071 10075 10076 10077 -0.18 10077 10075 H81 SLES 1 -20.9942 -14.4173 -23.7675 HAL2 10074 0 0 0 0.09 10078 10076 H82 SLES 1 -20.3051 -16.1026 -23.433 HAL2 10074 0 0 0 0.09 10079 10077 C9 SLES 1 -21.4304 -15.2358 -21.8747 CTL2 10074 10078 10079 10080 -0.18 10080 10078 H91 SLES 1 -22.2992 -14.5607 -21.707 HAL2 10077 0 0 0 0.09 10081 10079 H92 SLES 1 -21.6227 -16.2137 -21.3787 HAL2 10077 0 0 0 0.09 10082 10080 C10 SLES 1 -20.0949 -14.6105 -21.4773 CTL2 10077 10081 10082 10083 -0.18 10083 10081 H10 SLES 1 -19.9246 -13.668 -22.0646 HAL2 10080 0 0 0 0.09 10084 10082 H10 SLES 1 -19.2536 -15.3087 -21.7385 HAL2 10080 0 0 0 0.09 10085 10083 C11 SLES 1 -19.962 -14.2684 -20.0289 CTL2 10080 10084 10085 10086 -0.18 10086 10084 H11 SLES 1 -20.7848 -13.559 -19.7786 HAL2 10083 0 0 0 0.09 10087 10085 H11 SLES 1 -20.1102 -15.2096 -19.4504 HAL2 10083 0 0 0 0.09 10088 10086 C12 SLES 1 -18.582 -13.6538 -19.7785 CTL3 10083 10087 10088 10089 -0.27 10089 10087 H12 SLES 1 -18.6906 -12.6196 -19.398 HAL3 10086 0 0 0 0.09 10090 10088 H12 SLES 1 -18.0104 -14.2816 -19.0675 HAL3 10086 0 0 0 0.09 10091 10089 H12 SLES 1 -17.9689 -13.5887 -20.7109 HAL3 10086 0 0 0 0.09 10092 10090 NA SLES 1 -19.2419 -33.8521 -36.3773 NA 0 0 0 0 1 10093 10091 S SLES 1 -18.1394 -31.1772 -37.2741 SL 10092 10093 10094 10095 1.33 10094 10092 OS1 SLES 1 -17.9917 -31.1748 -35.8087 OSL 10091 10096 0 0 -0.28 10095 10093 OS2 SLES 1 -19.562 -31.4084 -37.1587 O2L 10091 0 0 0 -0.65 10096 10094 OS3 SLES 1 -17.3319 -32.3703 -37.3832 O2L 10091 0 0 0 -0.65 10097 10095 OS4 SLES 1 -17.6433 -29.9144 -37.7441 O2L 10091 0 0 0 -0.65 10098 10096 C2 SLES 1 -17.4478 -30.1956 -35.0172 CC32A 10092 10097 10098 10099 -0.11 10099 10097 H2A SLES 1 -18.0173 -29.2349 -35.1256 HCA2 10096 0 0 0 0.09 10100 10098 H2B SLES 1 -16.3681 -30.0271 -35.2729 HCA2 10096 0 0 0 0.09 10101 10099 C1 SLES 1 -17.6119 -30.7946 -33.6038 CC32A 10096 10100 10101 10102 -0.01 10102 10100 H1B SLES 1 -18.6916 -30.9883 -33.3734 HCA2 10099 0 0 0 0.09 10103 10101 H1A SLES 1 -17.0482 -31.7553 -33.5109 HCA2 10099 0 0 0 0.09 10104 10102 O1 SLES 1 -17.1671 -30.0595 -32.5102 OC30A 10099 10103 0 0 -0.34 10105 10103 C2 SLES 1 -16.6028 -28.7836 -32.7521 CC32A 10102 10104 10105 10106 -0.01 10106 10104 H2A SLES 1 -17.3504 -28.1136 -33.2657 HCA2 10103 0 0 0 0.09 10107 10105 H2B SLES 1 -15.6955 -28.8579 -33.3962 HCA2 10103 0 0 0 0.09 10108 10106 C1 SLES 1 -16.5525 -28.6032 -31.1914 CC32A 10103 10107 10108 10109 -0.01 10109 10107 H1B SLES 1 -17.2175 -27.7325 -31.2642 HCA2 10106 0 0 0 0.09 10110 10108 H1A SLES 1 -15.425 -28.605 -31.4178 HCA2 10106 0 0 0 0.09 10111 10109 O1 SLES 1 -16.0594 -28.2915 -29.9141 OC30A 10106 10110 0 0 -0.34 10112 10110 C1 SLES 1 -15.5653 -26.979 -29.6882 CTL2 10109 10111 10112 10113 -0.18 10113 10111 H11 SLES 1 -16.2177 -26.136 -30.0502 HAL2 10110 0 0 0 0.09 10114 10112 H12 SLES 1 -14.5647 -26.8503 -30.1726 HAL2 10110 0 0 0 0.09 10115 10113 C2 SLES 1 -15.4743 -27.0114 -28.1632 CTL2 10110 10114 10115 10116 -0.18 10116 10114 H21 SLES 1 -16.4683 -27.0799 -27.6592 HAL2 10113 0 0 0 0.09 10117 10115 H22 SLES 1 -14.8165 -27.8295 -27.7807 HAL2 10113 0 0 0 0.09 10118 10116 C3 SLES 1 -14.8558 -25.7113 -27.8418 CTL2 10113 10117 10118 10119 -0.18 10119 10117 H31 SLES 1 -15.5657 -24.9443 -28.2556 HAL2 10116 0 0 0 0.09 10120 10118 H32 SLES 1 -13.8709 -25.7167 -28.3856 HAL2 10116 0 0 0 0.09 10121 10119 C4 SLES 1 -14.5648 -25.3185 -26.4297 CTL2 10116 10120 10121 10122 -0.18 10122 10120 H41 SLES 1 -15.4985 -25.2849 -25.8158 HAL2 10119 0 0 0 0.09 10123 10121 H42 SLES 1 -13.8594 -26.0338 -25.9454 HAL2 10119 0 0 0 0.09 10124 10122 C5 SLES 1 -13.9565 -23.9381 -26.7121 CTL2 10119 10123 10124 10125 -0.18 10125 10123 H51 SLES 1 -14.6884 -23.2912 -27.2651 HAL2 10122 0 0 0 0.09 10126 10124 H52 SLES 1 -13.069 -24.0314 -27.3917 HAL2 10122 0 0 0 0.09 10127 10125 C6 SLES 1 -13.5085 -23.156 -25.5541 CTL2 10122 10126 10127 10128 -0.18 10128 10126 H61 SLES 1 -14.0507 -22.1733 -25.6101 HAL2 10125 0 0 0 0.09 10129 10127 H62 SLES 1 -12.4267 -22.9156 -25.7368 HAL2 10125 0 0 0 0.09 10130 10128 C7 SLES 1 -13.6921 -23.7955 -24.1725 CTL2 10125 10129 10130 10131 -0.18 10131 10129 H71 SLES 1 -14.7567 -23.9854 -23.8986 HAL2 10128 0 0 0 0.09 10132 10130 H72 SLES 1 -13.1124 -24.7366 -24.0271 HAL2 10128 0 0 0 0.09 10133 10131 C8 SLES 1 -13.1297 -22.7056 -23.3338 CTL2 10128 10132 10133 10134 -0.18 10134 10132 H81 SLES 1 -13.7474 -21.789 -23.5492 HAL2 10131 0 0 0 0.09 10135 10133 H82 SLES 1 -12.068 -22.5564 -23.6814 HAL2 10131 0 0 0 0.09 10136 10134 C9 SLES 1 -13.0768 -22.8444 -21.8523 CTL2 10131 10135 10136 10137 -0.18 10137 10135 H91 SLES 1 -14.1031 -22.9717 -21.4411 HAL2 10134 0 0 0 0.09 10138 10136 H92 SLES 1 -12.4554 -23.724 -21.5706 HAL2 10134 0 0 0 0.09 10139 10137 C10 SLES 1 -12.4375 -21.5093 -21.4763 CTL2 10134 10138 10139 10140 -0.18 10140 10138 H10 SLES 1 -13.0728 -20.6623 -21.8519 HAL2 10137 0 0 0 0.09 10141 10139 H10 SLES 1 -11.4376 -21.4093 -21.9801 HAL2 10137 0 0 0 0.09 10142 10140 C11 SLES 1 -12.2261 -21.2985 -20.0122 CTL2 10137 10141 10142 10143 -0.18 10143 10141 H11 SLES 1 -13.2227 -21.3766 -19.5185 HAL2 10140 0 0 0 0.09 10144 10142 H11 SLES 1 -11.5779 -22.1286 -19.6473 HAL2 10140 0 0 0 0.09 10145 10143 C12 SLES 1 -11.5826 -19.9275 -19.7859 CTL3 10140 10144 10145 10146 -0.27 10146 10144 H12 SLES 1 -12.2502 -19.2914 -19.1729 HAL3 10143 0 0 0 0.09 10147 10145 H12 SLES 1 -10.5934 -20.0479 -19.3027 HAL3 10143 0 0 0 0.09 10148 10146 H12 SLES 1 -11.4055 -19.3767 -20.7422 HAL3 10143 0 0 0 0.09 10149 10147 NA SLES 1 -2.97926 -38.6126 -36.5501 NA 0 0 0 0 1 10150 10148 S SLES 1 -4.2014 -35.9194 -37.2036 SL 10149 10150 10151 10152 1.33 10151 10149 OS1 SLES 1 -3.73164 -35.7939 -35.8134 OSL 10148 10153 0 0 -0.28 10152 10150 OS2 SLES 1 -5.02208 -37.0572 -36.8536 O2L 10148 0 0 0 -0.65 10153 10151 OS3 SLES 1 -2.86795 -36.2421 -37.6564 O2L 10148 0 0 0 -0.65 10154 10152 OS4 SLES 1 -4.80727 -34.6652 -37.5526 O2L 10148 0 0 0 -0.65 10155 10153 C2 SLES 1 -3.79953 -34.6947 -34.9959 CC32A 10149 10154 10155 10156 -0.11 10156 10154 H2A SLES 1 -4.86553 -34.3828 -34.8369 HCA2 10153 0 0 0 0.09 10157 10155 H2B SLES 1 -3.2142 -33.8389 -35.4254 HCA2 10153 0 0 0 0.09 10158 10156 C1 SLES 1 -3.16355 -35.2224 -33.6918 CC32A 10153 10157 10158 10159 -0.01 10159 10157 H1B SLES 1 -3.73855 -36.097 -33.2909 HCA2 10156 0 0 0 0.09 10160 10158 H1A SLES 1 -2.10552 -35.5385 -33.8647 HCA2 10156 0 0 0 0.09 10161 10159 O1 SLES 1 -3.06368 -34.3645 -32.6018 OC30A 10156 10160 0 0 -0.34 10162 10160 C2 SLES 1 -3.57296 -33.0507 -32.7411 CC32A 10159 10161 10162 10163 -0.01 10163 10161 H2A SLES 1 -4.67319 -33.0791 -32.9863 HCA2 10160 0 0 0 0.09 10164 10162 H2B SLES 1 -3.04544 -32.496 -33.5521 HCA2 10160 0 0 0 0.09 10165 10163 C1 SLES 1 -3.26599 -32.8601 -31.2113 CC32A 10160 10164 10165 10166 -0.01 10166 10164 H1B SLES 1 -4.33072 -32.6786 -31.0137 HCA2 10163 0 0 0 0.09 10167 10165 H1A SLES 1 -2.52673 -32.0957 -31.6489 HCA2 10163 0 0 0 0.09 10168 10166 O1 SLES 1 -2.8051 -32.2759 -30.0204 OC30A 10163 10167 0 0 -0.34 10169 10167 C1 SLES 1 -3.27096 -30.9759 -29.6874 CTL2 10166 10168 10169 10170 -0.18 10170 10168 H11 SLES 1 -4.3809 -30.8106 -29.7768 HAL2 10167 0 0 0 0.09 10171 10169 H12 SLES 1 -2.77234 -30.2067 -30.3295 HAL2 10167 0 0 0 0.09 10172 10170 C2 SLES 1 -2.80306 -30.9136 -28.2341 CTL2 10167 10171 10172 10173 -0.18 10173 10171 H21 SLES 1 -3.33214 -31.634 -27.5649 HAL2 10170 0 0 0 0.09 10174 10172 H22 SLES 1 -1.70066 -31.0568 -28.1221 HAL2 10170 0 0 0 0.09 10175 10173 C3 SLES 1 -3.1491 -29.5363 -27.8348 CTL2 10170 10174 10175 10176 -0.18 10176 10174 H31 SLES 1 -4.26212 -29.4666 -27.9752 HAL2 10173 0 0 0 0.09 10177 10175 H32 SLES 1 -2.5874 -28.8768 -28.5527 HAL2 10173 0 0 0 0.09 10178 10176 C4 SLES 1 -2.85069 -29.0286 -26.4614 CTL2 10173 10177 10178 10179 -0.18 10179 10177 H41 SLES 1 -3.37738 -29.6315 -25.6811 HAL2 10176 0 0 0 0.09 10180 10178 H42 SLES 1 -1.75739 -29.0625 -26.2436 HAL2 10176 0 0 0 0.09 10181 10179 C5 SLES 1 -3.40841 -27.609 -26.6316 CTL2 10176 10180 10181 10182 -0.18 10182 10180 H51 SLES 1 -4.4922 -27.6442 -26.9218 HAL2 10179 0 0 0 0.09 10183 10181 H52 SLES 1 -2.89113 -27.0823 -27.4762 HAL2 10179 0 0 0 0.09 10184 10182 C6 SLES 1 -3.3212 -26.7136 -25.4724 CTL2 10179 10183 10184 10185 -0.18 10185 10183 H61 SLES 1 -4.3695 -26.3662 -25.2644 HAL2 10182 0 0 0 0.09 10186 10184 H62 SLES 1 -2.76388 -25.8027 -25.8202 HAL2 10182 0 0 0 0.09 10187 10185 C7 SLES 1 -2.68011 -27.2846 -24.2018 CTL2 10182 10186 10187 10188 -0.18 10188 10186 H71 SLES 1 -3.2361 -28.1455 -23.761 HAL2 10185 0 0 0 0.09 10189 10187 H72 SLES 1 -1.61068 -27.5748 -24.3238 HAL2 10185 0 0 0 0.09 10190 10188 C8 SLES 1 -2.79659 -26.0912 -23.3245 CTL2 10185 10189 10190 10191 -0.18 10191 10189 H81 SLES 1 -3.89419 -25.8461 -23.2668 HAL2 10188 0 0 0 0.09 10192 10190 H82 SLES 1 -2.23419 -25.2631 -23.8426 HAL2 10188 0 0 0 0.09 10193 10191 C9 SLES 1 -2.29594 -26.1333 -21.9229 CTL2 10188 10192 10193 10194 -0.18 10194 10192 H91 SLES 1 -2.83198 -26.9202 -21.3466 HAL2 10191 0 0 0 0.09 10195 10193 H92 SLES 1 -1.20368 -26.3479 -21.9112 HAL2 10191 0 0 0 0.09 10196 10194 C10 SLES 1 -2.63675 -24.7154 -21.4691 CTL2 10191 10195 10196 10197 -0.18 10197 10195 H10 SLES 1 -3.74079 -24.5357 -21.5742 HAL2 10194 0 0 0 0.09 10198 10196 H10 SLES 1 -2.12446 -23.9681 -22.1343 HAL2 10194 0 0 0 0.09 10199 10197 C11 SLES 1 -2.26072 -24.3943 -20.0591 CTL2 10194 10198 10199 10200 -0.18 10200 10198 H11 SLES 1 -2.78771 -25.1236 -19.4008 HAL2 10197 0 0 0 0.09 10201 10199 H11 SLES 1 -1.16151 -24.553 -19.9642 HAL2 10197 0 0 0 0.09 10202 10200 C12 SLES 1 -2.65988 -22.9496 -19.7453 CTL3 10197 10201 10202 10203 -0.27 10203 10201 H12 SLES 1 -3.39894 -22.9306 -18.921 HAL3 10200 0 0 0 0.09 10204 10202 H12 SLES 1 -1.76155 -22.3551 -19.4883 HAL3 10200 0 0 0 0.09 10205 10203 H12 SLES 1 -3.14018 -22.4411 -20.6172 HAL3 10200 0 0 0 0.09 10206 10204 NA SLES 1 13.434 -35.8483 -36.9088 NA 0 0 0 0 1 10207 10205 S SLES 1 10.609 -34.7667 -37.0642 SL 10206 10207 10208 10209 1.33 10208 10206 OS1 SLES 1 11.1635 -34.1986 -35.8236 OSL 10205 10210 0 0 -0.28 10209 10207 OS2 SLES 1 10.88 -36.1102 -36.6036 O2L 10205 0 0 0 -0.65 10210 10208 OS3 SLES 1 11.6629 -34.1633 -37.8468 O2L 10205 0 0 0 -0.65 10211 10209 OS4 SLES 1 9.25775 -34.2928 -37.1709 O2L 10205 0 0 0 -0.65 10212 10210 C2 SLES 1 10.5545 -33.3426 -34.9419 CC32A 10206 10211 10212 10213 -0.11 10213 10211 H2A SLES 1 9.63033 -33.809 -34.5091 HCA2 10210 0 0 0 0.09 10214 10212 H2B SLES 1 10.2913 -32.3728 -35.4415 HCA2 10210 0 0 0 0.09 10215 10213 C1 SLES 1 11.6483 -33.1524 -33.869 CC32A 10210 10214 10215 10216 -0.01 10216 10214 H1B SLES 1 11.9251 -34.1324 -33.4007 HCA2 10213 0 0 0 0.09 10217 10215 H1A SLES 1 12.5666 -32.696 -34.3135 HCA2 10213 0 0 0 0.09 10218 10216 O1 SLES 1 11.3809 -32.3294 -32.7802 OC30A 10213 10217 0 0 -0.34 10219 10217 C2 SLES 1 10.1038 -31.7228 -32.7033 CC32A 10216 10218 10219 10220 -0.01 10220 10218 H2A SLES 1 9.29578 -32.5088 -32.6764 HCA2 10217 0 0 0 0.09 10221 10219 H2B SLES 1 9.91872 -31.0569 -33.5785 HCA2 10217 0 0 0 0.09 10222 10220 C1 SLES 1 10.531 -31.1996 -31.2839 CC32A 10217 10221 10222 10223 -0.01 10223 10221 H1B SLES 1 9.70451 -31.7564 -30.8229 HCA2 10220 0 0 0 0.09 10224 10222 H1A SLES 1 10.4359 -30.1947 -31.8348 HCA2 10220 0 0 0 0.09 10225 10223 O1 SLES 1 10.7247 -30.324 -30.2033 OC30A 10220 10224 0 0 -0.34 10226 10224 C1 SLES 1 9.59258 -29.6435 -29.6806 CTL2 10223 10225 10226 10227 -0.18 10227 10225 H11 SLES 1 8.68143 -30.2758 -29.4875 HAL2 10224 0 0 0 0.09 10228 10226 H12 SLES 1 9.27971 -28.82 -30.3709 HAL2 10224 0 0 0 0.09 10229 10227 C2 SLES 1 10.2026 -29.1157 -28.3829 CTL2 10224 10228 10229 10230 -0.18 10230 10228 H21 SLES 1 10.4671 -29.9206 -27.6557 HAL2 10227 0 0 0 0.09 10231 10229 H22 SLES 1 11.0985 -28.4695 -28.5507 HAL2 10227 0 0 0 0.09 10232 10230 C3 SLES 1 9.11709 -28.2905 -27.8198 CTL2 10227 10231 10232 10233 -0.18 10233 10231 H31 SLES 1 8.25705 -29.0009 -27.6818 HAL2 10230 0 0 0 0.09 10234 10232 H32 SLES 1 8.90582 -27.514 -28.6061 HAL2 10230 0 0 0 0.09 10235 10233 C4 SLES 1 9.28902 -27.5586 -26.5284 CTL2 10230 10234 10235 10236 -0.18 10236 10234 H41 SLES 1 9.5005 -28.2628 -25.6863 HAL2 10233 0 0 0 0.09 10237 10235 H42 SLES 1 10.1282 -26.8262 -26.5843 HAL2 10233 0 0 0 0.09 10238 10236 C5 SLES 1 7.89955 -26.9104 -26.4626 CTL2 10233 10237 10238 10239 -0.18 10239 10237 H51 SLES 1 7.09763 -27.6956 -26.4836 HAL2 10236 0 0 0 0.09 10240 10238 H52 SLES 1 7.71864 -26.2758 -27.3697 HAL2 10236 0 0 0 0.09 10241 10239 C6 SLES 1 7.61331 -26.0604 -25.3012 CTL2 10236 10240 10241 10242 -0.18 10242 10240 H61 SLES 1 6.6885 -26.4832 -24.8229 HAL2 10239 0 0 0 0.09 10243 10241 H62 SLES 1 7.31133 -25.0594 -25.7113 HAL2 10239 0 0 0 0.09 10244 10242 C7 SLES 1 8.73252 -25.9024 -24.2649 CTL2 10239 10243 10244 10245 -0.18 10245 10243 H71 SLES 1 9.02232 -26.855 -23.7617 HAL2 10242 0 0 0 0.09 10246 10244 H72 SLES 1 9.65258 -25.4134 -24.6612 HAL2 10242 0 0 0 0.09 10247 10245 C8 SLES 1 8.03899 -25.0029 -23.307 CTL2 10242 10246 10247 10248 -0.18 10248 10246 H81 SLES 1 7.11526 -25.5512 -22.9692 HAL2 10245 0 0 0 0.09 10249 10247 H82 SLES 1 7.75868 -24.079 -23.8887 HAL2 10245 0 0 0 0.09 10250 10248 C9 SLES 1 8.73103 -24.5357 -22.0743 CTL2 10245 10249 10250 10251 -0.18 10251 10249 H91 SLES 1 9.01495 -25.4049 -21.4398 HAL2 10248 0 0 0 0.09 10252 10250 H92 SLES 1 9.64579 -23.9604 -22.3416 HAL2 10248 0 0 0 0.09 10253 10251 C10 SLES 1 7.63389 -23.6709 -21.457 CTL2 10248 10252 10253 10254 -0.18 10254 10252 H10 SLES 1 6.71363 -24.2905 -21.2796 HAL2 10251 0 0 0 0.09 10255 10253 H10 SLES 1 7.34025 -22.857 -22.1745 HAL2 10251 0 0 0 0.09 10256 10254 C11 SLES 1 7.99464 -23.0197 -20.1616 CTL2 10251 10255 10256 10257 -0.18 10257 10255 H11 SLES 1 8.26426 -23.831 -19.446 HAL2 10254 0 0 0 0.09 10258 10256 H11 SLES 1 8.89507 -22.3891 -20.3462 HAL2 10254 0 0 0 0.09 10259 10257 C12 SLES 1 6.80727 -22.1906 -19.6639 CTL3 10254 10258 10259 10260 -0.27 10260 10258 H12 SLES 1 6.45889 -22.5757 -18.6859 HAL3 10257 0 0 0 0.09 10261 10259 H12 SLES 1 7.09336 -21.1231 -19.5923 HAL3 10257 0 0 0 0.09 10262 10260 H12 SLES 1 5.93207 -22.2405 -20.3573 HAL3 10257 0 0 0 0.09 10263 10261 NA SLES 1 26.6791 -26.5956 -37.3913 NA 0 0 0 0 1 10264 10262 S SLES 1 23.9066 -27.7027 -36.8799 SL 10263 10264 10265 10266 1.33 10265 10263 OS1 SLES 1 24.1037 -26.6807 -35.8377 OSL 10262 10267 0 0 -0.28 10266 10264 OS2 SLES 1 25.0935 -28.4088 -36.4519 O2L 10262 0 0 0 -0.65 10267 10265 OS3 SLES 1 24.1182 -26.724 -37.9214 O2L 10262 0 0 0 -0.65 10268 10266 OS4 SLES 1 22.6051 -28.2701 -36.6649 O2L 10262 0 0 0 -0.65 10269 10267 C2 SLES 1 23.2211 -26.2872 -34.8644 CC32A 10263 10268 10269 10270 -0.11 10270 10268 H2A SLES 1 22.9528 -27.1497 -34.1988 HCA2 10267 0 0 0 0.09 10271 10269 H2B SLES 1 22.2902 -25.8549 -35.3184 HCA2 10267 0 0 0 0.09 10272 10270 C1 SLES 1 24.0344 -25.2173 -34.1046 CC32A 10267 10271 10272 10273 -0.01 10273 10271 H1B SLES 1 24.977 -25.6542 -33.6841 HCA2 10270 0 0 0 0.09 10274 10272 H1A SLES 1 24.3035 -24.3682 -34.7798 HCA2 10270 0 0 0 0.09 10275 10273 O1 SLES 1 23.4493 -24.5819 -33.0146 OC30A 10270 10274 0 0 -0.34 10276 10274 C2 SLES 1 22.1381 -24.9679 -32.6452 CC32A 10273 10275 10276 10277 -0.01 10277 10275 H2A SLES 1 22.1084 -26.0658 -32.3896 HCA2 10274 0 0 0 0.09 10278 10276 H2B SLES 1 21.4128 -24.7787 -33.4709 HCA2 10274 0 0 0 0.09 10279 10277 C1 SLES 1 22.3036 -24.0274 -31.3967 CC32A 10274 10278 10279 10280 -0.01 10280 10278 H1B SLES 1 22.1711 -24.8856 -30.7247 HCA2 10277 0 0 0 0.09 10281 10279 H1A SLES 1 21.4599 -23.469 -31.9433 HCA2 10277 0 0 0 0.09 10282 10280 O1 SLES 1 22.0084 -23.0515 -30.431 OC30A 10277 10281 0 0 -0.34 10283 10281 C1 SLES 1 20.8189 -23.2008 -29.669 CTL2 10280 10282 10283 10284 -0.18 10284 10282 H11 SLES 1 20.6364 -24.2223 -29.2325 HAL2 10281 0 0 0 0.09 10285 10283 H12 SLES 1 19.9235 -22.9449 -30.2897 HAL2 10281 0 0 0 0.09 10286 10284 C2 SLES 1 21.092 -22.1603 -28.5837 CTL2 10281 10285 10286 10287 -0.18 10287 10285 H21 SLES 1 21.9461 -22.4273 -27.9159 HAL2 10284 0 0 0 0.09 10288 10286 H22 SLES 1 21.2582 -21.1339 -28.9925 HAL2 10284 0 0 0 0.09 10289 10287 C3 SLES 1 19.8426 -22.1659 -27.7995 CTL2 10284 10288 10289 10290 -0.18 10290 10288 H31 SLES 1 19.7414 -23.2212 -27.4261 HAL2 10287 0 0 0 0.09 10291 10289 H32 SLES 1 19.0366 -21.8961 -28.5367 HAL2 10287 0 0 0 0.09 10292 10290 C4 SLES 1 19.6636 -21.2672 -26.6191 CTL2 10287 10291 10292 10293 -0.18 10293 10291 H41 SLES 1 20.4288 -21.4734 -25.8306 HAL2 10290 0 0 0 0.09 10294 10292 H42 SLES 1 19.7476 -20.1934 -26.9086 HAL2 10290 0 0 0 0.09 10295 10293 C5 SLES 1 18.2422 -21.6994 -26.2341 CTL2 10290 10294 10295 10296 -0.18 10296 10294 H51 SLES 1 18.2089 -22.802 -26.0264 HAL2 10293 0 0 0 0.09 10297 10295 H52 SLES 1 17.5364 -21.5363 -27.0906 HAL2 10293 0 0 0 0.09 10298 10296 C6 SLES 1 17.6365 -21.0424 -25.0701 CTL2 10293 10297 10298 10299 -0.18 10299 10297 H61 SLES 1 17.345 -21.8648 -24.3618 HAL2 10296 0 0 0 0.09 10300 10298 H62 SLES 1 16.6707 -20.5954 -25.4289 HAL2 10296 0 0 0 0.09 10301 10299 C7 SLES 1 18.4843 -19.9863 -24.3508 CTL2 10296 10300 10301 10302 -0.18 10302 10300 H71 SLES 1 19.4228 -20.3879 -23.9007 HAL2 10299 0 0 0 0.09 10303 10301 H72 SLES 1 18.7398 -19.103 -24.9809 HAL2 10299 0 0 0 0.09 10304 10302 C8 SLES 1 17.5237 -19.602 -23.2845 CTL2 10299 10303 10304 10305 -0.18 10305 10303 H81 SLES 1 17.2972 -20.5423 -22.7078 HAL2 10302 0 0 0 0.09 10306 10304 H82 SLES 1 16.5995 -19.2304 -23.8119 HAL2 10302 0 0 0 0.09 10307 10305 C9 SLES 1 17.8866 -18.5642 -22.2803 CTL2 10302 10306 10307 10308 -0.18 10308 10306 H91 SLES 1 18.7841 -18.8833 -21.7047 HAL2 10305 0 0 0 0.09 10309 10307 H92 SLES 1 18.0992 -17.5964 -22.7875 HAL2 10305 0 0 0 0.09 10310 10308 C10 SLES 1 16.6101 -18.538 -21.4421 CTL2 10305 10309 10310 10311 -0.18 10311 10309 H10 SLES 1 16.41 -19.5594 -21.019 HAL2 10308 0 0 0 0.09 10312 10310 H10 SLES 1 15.7307 -18.2818 -22.0936 HAL2 10308 0 0 0 0.09 10313 10311 C11 SLES 1 16.6212 -17.5727 -20.3017 CTL2 10308 10312 10313 10314 -0.18 10314 10312 H11 SLES 1 17.4815 -17.8433 -19.6462 HAL2 10311 0 0 0 0.09 10315 10313 H11 SLES 1 16.7986 -16.5579 -20.7274 HAL2 10311 0 0 0 0.09 10316 10314 C12 SLES 1 15.2865 -17.6554 -19.5556 CTL3 10311 10315 10316 10317 -0.27 10317 10315 H12 SLES 1 15.4563 -17.9722 -18.5082 HAL3 10314 0 0 0 0.09 10318 10316 H12 SLES 1 14.7677 -16.6778 -19.5967 HAL3 10314 0 0 0 0.09 10319 10317 H12 SLES 1 14.5912 -18.4048 -20.0076 HAL3 10314 0 0 0 0.09 10320 10318 NA SLES 1 34.5595 -13.1853 -37.9143 NA 0 0 0 0 1 10321 10319 S SLES 1 33.349 -15.6736 -36.6826 SL 10320 10321 10322 10323 1.33 10322 10320 OS1 SLES 1 32.8535 -14.5619 -35.8532 OSL 10319 10324 0 0 -0.28 10323 10321 OS2 SLES 1 34.7197 -15.2925 -36.4247 O2L 10319 0 0 0 -0.65 10324 10322 OS3 SLES 1 32.7634 -15.0899 -37.8674 O2L 10319 0 0 0 -0.65 10325 10323 OS4 SLES 1 32.8121 -16.8818 -36.1223 O2L 10319 0 0 0 -0.65 10326 10324 C2 SLES 1 32.0056 -14.6251 -34.777 CC32A 10320 10325 10326 10327 -0.11 10327 10325 H2A SLES 1 32.4468 -15.2546 -33.9597 HCA2 10324 0 0 0 0.09 10328 10326 H2B SLES 1 31.0068 -15.0395 -35.0773 HCA2 10324 0 0 0 0.09 10329 10327 C1 SLES 1 31.9048 -13.1426 -34.3579 CC32A 10324 10328 10329 10330 -0.01 10330 10328 H1B SLES 1 32.9132 -12.7319 -34.0918 HCA2 10327 0 0 0 0.09 10331 10329 H1A SLES 1 31.4729 -12.5244 -35.1828 HCA2 10327 0 0 0 0.09 10332 10330 O1 SLES 1 31.1128 -12.8092 -33.2644 OC30A 10327 10331 0 0 -0.34 10333 10331 C2 SLES 1 30.4537 -13.857 -32.577 CC32A 10330 10332 10333 10334 -0.01 10334 10332 H2A SLES 1 31.2037 -14.5971 -32.1755 HCA2 10331 0 0 0 0.09 10335 10333 H2B SLES 1 29.7475 -14.3998 -33.248 HCA2 10331 0 0 0 0.09 10336 10334 C1 SLES 1 30.0043 -12.7739 -31.5302 CC32A 10331 10335 10336 10337 -0.01 10337 10335 H1B SLES 1 30.5411 -13.3095 -30.736 HCA2 10334 0 0 0 0.09 10338 10336 H1A SLES 1 28.9759 -13.0635 -31.9557 HCA2 10334 0 0 0 0.09 10339 10337 O1 SLES 1 29.1798 -12.0374 -30.6643 OC30A 10334 10338 0 0 -0.34 10340 10338 C1 SLES 1 28.4703 -12.7408 -29.6544 CTL2 10337 10339 10340 10341 -0.18 10341 10339 H11 SLES 1 29.0686 -13.483 -29.0557 HAL2 10338 0 0 0 0.09 10342 10340 H12 SLES 1 27.6081 -13.2981 -30.0999 HAL2 10338 0 0 0 0.09 10343 10341 C2 SLES 1 28.0197 -11.5554 -28.802 CTL2 10338 10342 10343 10344 -0.18 10344 10342 H21 SLES 1 28.8625 -11.0217 -28.3006 HAL2 10341 0 0 0 0.09 10345 10343 H22 SLES 1 27.4079 -10.8137 -29.3711 HAL2 10341 0 0 0 0.09 10346 10344 C3 SLES 1 27.1693 -12.1903 -27.7773 CTL2 10341 10345 10346 10347 -0.18 10347 10345 H31 SLES 1 27.8457 -12.9185 -27.2523 HAL2 10344 0 0 0 0.09 10348 10346 H32 SLES 1 26.355 -12.7073 -28.3564 HAL2 10344 0 0 0 0.09 10349 10347 C4 SLES 1 26.4954 -11.3803 -26.7177 CTL2 10344 10348 10349 10350 -0.18 10350 10348 H41 SLES 1 27.2398 -10.8324 -26.0889 HAL2 10347 0 0 0 0.09 10351 10349 H42 SLES 1 25.7992 -10.6298 -27.1604 HAL2 10347 0 0 0 0.09 10352 10350 C5 SLES 1 25.7894 -12.5295 -25.9856 CTL2 10347 10351 10352 10353 -0.18 10353 10351 H51 SLES 1 26.5369 -13.2871 -25.6291 HAL2 10350 0 0 0 0.09 10354 10352 H52 SLES 1 25.1133 -13.0857 -26.6871 HAL2 10350 0 0 0 0.09 10355 10353 C6 SLES 1 24.9723 -12.1764 -24.819 CTL2 10350 10354 10355 10356 -0.18 10356 10354 H61 SLES 1 25.3717 -12.7822 -23.9609 HAL2 10353 0 0 0 0.09 10357 10355 H62 SLES 1 23.944 -12.5801 -25.0218 HAL2 10353 0 0 0 0.09 10358 10356 C7 SLES 1 24.9034 -10.6909 -24.4447 CTL2 10353 10357 10358 10359 -0.18 10359 10357 H71 SLES 1 25.8864 -10.2506 -24.1538 HAL2 10356 0 0 0 0.09 10360 10358 H72 SLES 1 24.4409 -10.0463 -25.2277 HAL2 10356 0 0 0 0.09 10361 10359 C8 SLES 1 24.0112 -10.7893 -23.2607 CTL2 10356 10360 10361 10362 -0.18 10362 10360 H81 SLES 1 24.5307 -11.4685 -22.5279 HAL2 10359 0 0 0 0.09 10363 10361 H82 SLES 1 23.0545 -11.2605 -23.6254 HAL2 10359 0 0 0 0.09 10364 10362 C9 SLES 1 23.6223 -9.56657 -22.5054 CTL2 10359 10363 10364 10365 -0.18 10365 10363 H91 SLES 1 24.5267 -9.06385 -22.0954 HAL2 10362 0 0 0 0.09 10366 10364 H92 SLES 1 23.0783 -8.85997 -23.1716 HAL2 10362 0 0 0 0.09 10367 10365 C10 SLES 1 22.734 -10.1835 -21.427 CTL2 10362 10366 10367 10368 -0.18 10368 10366 H10 SLES 1 23.3186 -10.9405 -20.8375 HAL2 10365 0 0 0 0.09 10369 10367 H10 SLES 1 21.8811 -10.7376 -21.9057 HAL2 10365 0 0 0 0.09 10370 10368 C11 SLES 1 22.149 -9.21062 -20.4555 CTL2 10365 10369 10370 10371 -0.18 10371 10369 H11 SLES 1 22.9982 -8.67837 -19.9669 HAL2 10368 0 0 0 0.09 10372 10370 H11 SLES 1 21.5523 -8.47389 -21.0417 HAL2 10368 0 0 0 0.09 10373 10371 C12 SLES 1 21.2878 -9.96584 -19.4392 CTL3 10368 10372 10373 10374 -0.27 10374 10372 H12 SLES 1 21.694 -9.82537 -18.4187 HAL3 10371 0 0 0 0.09 10375 10373 H12 SLES 1 20.2375 -9.62004 -19.5006 HAL3 10371 0 0 0 0.09 10376 10374 H12 SLES 1 21.2726 -11.0674 -19.6285 HAL3 10371 0 0 0 0.09 10377 10375 NA SLES 1 22.2983 1.64418 -46.1043 NA 0 0 0 0 1 10378 10376 S SLES 1 23.5118 -0.607557 -44.4822 SL 10377 10378 10379 10380 1.33 10379 10377 OS1 SLES 1 22.5636 0.0495181 -43.5665 OSL 10376 10381 0 0 -0.28 10380 10378 OS2 SLES 1 24.2159 0.637759 -44.6921 O2L 10376 0 0 0 -0.65 10381 10379 OS3 SLES 1 22.4548 -0.880562 -45.4285 O2L 10376 0 0 0 -0.65 10382 10380 OS4 SLES 1 24.1272 -1.67631 -43.7467 O2L 10376 0 0 0 -0.65 10383 10381 C2 SLES 1 22.2651 -0.293442 -42.2725 CC32A 10377 10382 10383 10384 -0.11 10384 10382 H2A SLES 1 23.1805 -0.239842 -41.6258 HCA2 10381 0 0 0 0.09 10385 10383 H2B SLES 1 21.8255 -1.32482 -42.2223 HCA2 10381 0 0 0 0.09 10386 10384 C1 SLES 1 21.2324 0.785828 -41.8824 CC32A 10381 10385 10386 10387 -0.01 10387 10385 H1B SLES 1 21.6739 1.81251 -41.968 HCA2 10384 0 0 0 0.09 10388 10386 H1A SLES 1 20.3297 0.728524 -42.539 HCA2 10384 0 0 0 0.09 10389 10387 O1 SLES 1 20.6935 0.763312 -40.6006 OC30A 10384 10388 0 0 -0.34 10390 10388 C2 SLES 1 21.1396 -0.242648 -39.7096 CC32A 10387 10389 10390 10391 -0.01 10391 10389 H2A SLES 1 22.2535 -0.164001 -39.5531 HCA2 10388 0 0 0 0.09 10392 10390 H2B SLES 1 20.9098 -1.26114 -40.1013 HCA2 10388 0 0 0 0.09 10393 10391 C1 SLES 1 20.2883 0.478817 -38.6024 CC32A 10388 10392 10393 10394 -0.01 10394 10392 H1B SLES 1 21.1963 0.65649 -38.0111 HCA2 10391 0 0 0 0.09 10395 10393 H1A SLES 1 19.7139 -0.515444 -38.6643 HCA2 10391 0 0 0 0.09 10396 10394 O1 SLES 1 19.3933 0.661847 -37.5359 OC30A 10391 10395 0 0 -0.34 10397 10395 C1 SLES 1 19.6287 -0.0556061 -36.3327 CTL2 10394 10396 10397 10398 -0.18 10398 10396 H11 SLES 1 20.6836 -0.0306716 -35.9406 HAL2 10395 0 0 0 0.09 10399 10397 H12 SLES 1 19.3518 -1.13244 -36.4603 HAL2 10395 0 0 0 0.09 10400 10398 C2 SLES 1 18.6631 0.688909 -35.4116 CTL2 10395 10399 10400 10401 -0.18 10401 10399 H21 SLES 1 18.9555 1.75006 -35.2243 HAL2 10398 0 0 0 0.09 10402 10400 H22 SLES 1 17.6056 0.661981 -35.7713 HAL2 10398 0 0 0 0.09 10403 10401 C3 SLES 1 18.7584 -0.0705721 -34.1505 CTL2 10398 10402 10403 10404 -0.18 10404 10402 H31 SLES 1 19.8404 -0.00200562 -33.8539 HAL2 10401 0 0 0 0.09 10405 10403 H32 SLES 1 18.4569 -1.1202 -34.421 HAL2 10401 0 0 0 0.09 10406 10404 C4 SLES 1 17.9529 0.312422 -32.9515 CTL2 10401 10405 10406 10407 -0.18 10407 10405 H41 SLES 1 18.1959 1.34952 -32.6122 HAL2 10404 0 0 0 0.09 10408 10406 H42 SLES 1 16.8591 0.266707 -33.1645 HAL2 10404 0 0 0 0.09 10409 10407 C5 SLES 1 18.449 -0.785032 -32.0004 CTL2 10404 10408 10409 10410 -0.18 10410 10408 H51 SLES 1 19.5643 -0.731426 -31.8853 HAL2 10407 0 0 0 0.09 10411 10409 H52 SLES 1 18.2426 -1.8004 -32.4303 HAL2 10407 0 0 0 0.09 10412 10410 C6 SLES 1 17.8945 -0.792326 -30.6418 CTL2 10407 10411 10412 10413 -0.18 10413 10411 H61 SLES 1 18.7736 -0.739757 -29.9436 HAL2 10410 0 0 0 0.09 10414 10412 H62 SLES 1 17.448 -1.81162 -30.4901 HAL2 10410 0 0 0 0.09 10415 10413 C7 SLES 1 16.8717 0.29928 -30.3044 CTL2 10410 10414 10415 10416 -0.18 10416 10414 H71 SLES 1 17.2803 1.33595 -30.3591 HAL2 10413 0 0 0 0.09 10417 10415 H72 SLES 1 15.9385 0.250531 -30.9122 HAL2 10413 0 0 0 0.09 10418 10416 C8 SLES 1 16.5912 -0.0712677 -28.8932 CTL2 10413 10417 10418 10419 -0.18 10419 10417 H81 SLES 1 17.5766 -0.0213796 -28.3505 HAL2 10416 0 0 0 0.09 10420 10418 H82 SLES 1 16.2066 -1.13052 -28.916 HAL2 10416 0 0 0 0.09 10421 10419 C9 SLES 1 15.6201 0.716524 -28.085 CTL2 10416 10420 10421 10422 -0.18 10422 10420 H91 SLES 1 15.9566 1.77424 -28.0033 HAL2 10419 0 0 0 0.09 10423 10421 H92 SLES 1 14.6127 0.685989 -28.5576 HAL2 10419 0 0 0 0.09 10424 10422 C10 SLES 1 15.6884 -0.0423176 -26.7614 CTL2 10419 10423 10424 10425 -0.18 10425 10423 H10 SLES 1 16.7427 -0.0391775 -26.3732 HAL2 10422 0 0 0 0.09 10426 10424 H10 SLES 1 15.4085 -1.11881 -26.9235 HAL2 10422 0 0 0 0.09 10427 10425 C11 SLES 1 14.8085 0.492708 -25.6787 CTL2 10422 10426 10427 10428 -0.18 10428 10426 H11 SLES 1 15.1035 1.55386 -25.5054 HAL2 10425 0 0 0 0.09 10429 10427 H11 SLES 1 13.7612 0.468091 -26.0593 HAL2 10425 0 0 0 0.09 10430 10428 C12 SLES 1 14.9802 -0.360704 -24.4189 CTL3 10425 10429 10430 10431 -0.27 10431 10429 H12 SLES 1 15.3678 0.261463 -23.5889 HAL3 10428 0 0 0 0.09 10432 10430 H12 SLES 1 14.0162 -0.832578 -24.1461 HAL3 10428 0 0 0 0.09 10433 10431 H12 SLES 1 15.7127 -1.19245 -24.5641 HAL3 10428 0 0 0 0.09 10434 10432 NA SLES 1 17.1468 13.1925 -46.3827 NA 0 0 0 0 1 10435 10433 S SLES 1 19.3381 13.7984 -44.3813 SL 10434 10435 10436 10437 1.33 10436 10434 OS1 SLES 1 18.2264 13.2659 -43.575 OSL 10433 10438 0 0 -0.28 10437 10435 OS2 SLES 1 18.49 14.8418 -44.913 O2L 10433 0 0 0 -0.65 10438 10436 OS3 SLES 1 19.3863 12.5878 -45.1684 O2L 10433 0 0 0 -0.65 10439 10437 OS4 SLES 1 20.3987 14.1178 -43.4676 O2L 10433 0 0 0 -0.65 10440 10438 C2 SLES 1 18.1916 13.0571 -42.2199 CC32A 10434 10439 10440 10441 -0.11 10441 10439 H2A SLES 1 18.3494 14.0195 -41.6652 HCA2 10438 0 0 0 0.09 10442 10440 H2B SLES 1 18.9684 12.3089 -41.9095 HCA2 10438 0 0 0 0.09 10443 10441 C1 SLES 1 16.7617 12.5127 -42.0138 CC32A 10438 10442 10443 10444 -0.01 10444 10442 H1B SLES 1 15.9964 13.2559 -42.3577 HCA2 10441 0 0 0 0.09 10445 10443 H1A SLES 1 16.6137 11.5594 -42.5782 HCA2 10441 0 0 0 0.09 10446 10444 O1 SLES 1 16.3499 12.1856 -40.7263 OC30A 10441 10445 0 0 -0.34 10447 10445 C2 SLES 1 17.2634 12.3905 -39.6641 CC32A 10444 10446 10447 10448 -0.01 10448 10446 H2A SLES 1 17.5609 13.4765 -39.605 HCA2 10445 0 0 0 0.09 10449 10447 H2B SLES 1 18.1861 11.7793 -39.8003 HCA2 10445 0 0 0 0.09 10450 10448 C1 SLES 1 16.0918 11.9972 -38.6927 CC32A 10445 10449 10450 10451 -0.01 10451 10449 H1B SLES 1 16.1437 12.9865 -38.2192 HCA2 10448 0 0 0 0.09 10452 10450 H1A SLES 1 16.8073 11.12 -38.4905 HCA2 10448 0 0 0 0.09 10453 10451 O1 SLES 1 15.4047 11.3768 -37.6368 OC30A 10448 10452 0 0 -0.34 10454 10452 C1 SLES 1 15.9205 11.5266 -36.3217 CTL2 10451 10453 10454 10455 -0.18 10455 10453 H11 SLES 1 16.202 12.5733 -36.0174 HAL2 10452 0 0 0 0.09 10456 10454 H12 SLES 1 16.8304 10.8896 -36.1848 HAL2 10452 0 0 0 0.09 10457 10455 C2 SLES 1 14.7217 11.0081 -35.5287 CTL2 10452 10456 10457 10458 -0.18 10458 10456 H21 SLES 1 13.8205 11.6629 -35.605 HAL2 10455 0 0 0 0.09 10459 10457 H22 SLES 1 14.435 9.96308 -35.8008 HAL2 10455 0 0 0 0.09 10460 10458 C3 SLES 1 15.215 11.0216 -34.1385 CTL2 10455 10459 10460 10461 -0.18 10461 10459 H31 SLES 1 15.4841 12.0945 -33.9386 HAL2 10458 0 0 0 0.09 10462 10460 H32 SLES 1 16.1178 10.3504 -34.1449 HAL2 10458 0 0 0 0.09 10463 10461 C4 SLES 1 14.3523 10.5705 -33.0048 CTL2 10458 10462 10463 10464 -0.18 10464 10462 H41 SLES 1 13.427 11.1928 -32.9246 HAL2 10461 0 0 0 0.09 10465 10463 H42 SLES 1 14.0423 9.50623 -33.1276 HAL2 10461 0 0 0 0.09 10466 10464 C5 SLES 1 15.3561 10.7998 -31.8669 CTL2 10461 10465 10466 10467 -0.18 10467 10465 H51 SLES 1 15.6848 11.8729 -31.8423 HAL2 10464 0 0 0 0.09 10468 10466 H52 SLES 1 16.2915 10.206 -32.0425 HAL2 10464 0 0 0 0.09 10469 10467 C6 SLES 1 14.9105 10.4744 -30.5072 CTL2 10464 10468 10469 10470 -0.18 10470 10468 H61 SLES 1 15.0466 11.41 -29.8997 HAL2 10467 0 0 0 0.09 10471 10469 H62 SLES 1 15.6548 9.73834 -30.1003 HAL2 10467 0 0 0 0.09 10472 10470 C7 SLES 1 13.4827 9.93585 -30.3557 CTL2 10467 10471 10472 10473 -0.18 10473 10471 H71 SLES 1 12.6907 10.6562 -30.6697 HAL2 10470 0 0 0 0.09 10474 10472 H72 SLES 1 13.3068 8.96388 -30.8725 HAL2 10470 0 0 0 0.09 10475 10473 C8 SLES 1 13.4576 9.75113 -28.8817 CTL2 10470 10474 10475 10476 -0.18 10476 10474 H81 SLES 1 13.6633 10.7628 -28.4319 HAL2 10473 0 0 0 0.09 10477 10475 H82 SLES 1 14.2933 9.03454 -28.6397 HAL2 10473 0 0 0 0.09 10478 10476 C9 SLES 1 12.2383 9.22592 -28.2077 CTL2 10473 10477 10478 10479 -0.18 10479 10477 H91 SLES 1 11.3758 9.90561 -28.3889 HAL2 10476 0 0 0 0.09 10480 10478 H92 SLES 1 11.9939 8.21022 -28.5922 HAL2 10476 0 0 0 0.09 10481 10479 C10 SLES 1 12.7096 9.22337 -26.755 CTL2 10476 10480 10481 10482 -0.18 10482 10480 H10 SLES 1 13.0116 10.2615 -26.4496 HAL2 10479 0 0 0 0.09 10483 10481 H10 SLES 1 13.6246 8.57871 -26.6516 HAL2 10479 0 0 0 0.09 10484 10482 C11 SLES 1 11.7029 8.73746 -25.7636 CTL2 10479 10483 10484 10485 -0.18 10485 10483 H11 SLES 1 10.8053 9.39262 -25.8537 HAL2 10482 0 0 0 0.09 10486 10484 H11 SLES 1 11.4217 7.69963 -26.0573 HAL2 10482 0 0 0 0.09 10487 10485 C12 SLES 1 12.3097 8.79042 -24.3586 CTL3 10482 10486 10487 10488 -0.27 10488 10486 H12 SLES 1 11.7242 9.47807 -23.718 HAL3 10485 0 0 0 0.09 10489 10487 H12 SLES 1 12.3454 7.7732 -23.9222 HAL3 10485 0 0 0 0.09 10490 10488 H12 SLES 1 13.36 9.17302 -24.3621 HAL3 10485 0 0 0 0.09 10491 10489 NA SLES 1 7.34024 20.3822 -46.3717 NA 0 0 0 0 1 10492 10490 S SLES 1 7.06922 22.6573 -44.3906 SL 10491 10492 10493 10494 1.33 10493 10491 OS1 SLES 1 6.98382 21.4338 -43.5751 OSL 10490 10495 0 0 -0.28 10494 10492 OS2 SLES 1 5.95445 22.2266 -45.2045 O2L 10490 0 0 0 -0.65 10495 10493 OS3 SLES 1 8.37188 22.2734 -44.8836 O2L 10490 0 0 0 -0.65 10496 10494 OS4 SLES 1 6.92715 23.7674 -43.491 O2L 10490 0 0 0 -0.65 10497 10495 C2 SLES 1 6.84371 21.335 -42.2143 CC32A 10491 10496 10497 10498 -0.11 10498 10496 H2A SLES 1 5.89185 21.8235 -41.8762 HCA2 10495 0 0 0 0.09 10499 10497 H2B SLES 1 7.71736 21.8015 -41.6864 HCA2 10495 0 0 0 0.09 10500 10498 C1 SLES 1 6.80113 19.8061 -42.0042 CC32A 10495 10499 10500 10501 -0.01 10501 10499 H1B SLES 1 5.94372 19.3486 -42.5627 HCA2 10498 0 0 0 0.09 10502 10500 H1A SLES 1 7.75027 19.33 -42.353 HCA2 10498 0 0 0 0.09 10503 10501 O1 SLES 1 6.65541 19.3125 -40.7122 OC30A 10498 10502 0 0 -0.34 10504 10502 C2 SLES 1 6.5323 20.2454 -39.6542 CC32A 10501 10503 10504 10505 -0.01 10505 10503 H2A SLES 1 5.63223 20.9055 -39.8144 HCA2 10502 0 0 0 0.09 10506 10504 H2B SLES 1 7.4362 20.8942 -39.5795 HCA2 10502 0 0 0 0.09 10507 10505 C1 SLES 1 6.261 19.0155 -38.7137 CC32A 10502 10506 10507 10508 -0.01 10508 10506 H1B SLES 1 5.26757 19.4139 -38.4687 HCA2 10505 0 0 0 0.09 10509 10507 H1A SLES 1 7.2565 19.3787 -38.2672 HCA2 10505 0 0 0 0.09 10510 10508 O1 SLES 1 6.34229 18.16 -37.6031 OC30A 10505 10509 0 0 -0.34 10511 10509 C1 SLES 1 6.07378 18.7025 -36.318 CTL2 10508 10510 10511 10512 -0.18 10512 10510 H11 SLES 1 5.14651 19.3351 -36.2324 HAL2 10509 0 0 0 0.09 10513 10511 H12 SLES 1 6.93268 19.3317 -35.9731 HAL2 10509 0 0 0 0.09 10514 10512 C2 SLES 1 5.94897 17.4022 -35.5252 CTL2 10509 10513 10514 10515 -0.18 10515 10513 H21 SLES 1 5.06271 16.7878 -35.8145 HAL2 10512 0 0 0 0.09 10516 10514 H22 SLES 1 6.86549 16.7655 -35.5804 HAL2 10512 0 0 0 0.09 10517 10515 C3 SLES 1 5.77913 17.8762 -34.1386 CTL2 10512 10516 10517 10518 -0.18 10518 10516 H31 SLES 1 4.84828 18.5058 -34.1613 HAL2 10515 0 0 0 0.09 10519 10517 H32 SLES 1 6.70039 18.486 -33.9261 HAL2 10515 0 0 0 0.09 10520 10518 C4 SLES 1 5.62802 16.9161 -33.0036 CTL2 10515 10519 10520 10521 -0.18 10521 10519 H41 SLES 1 4.72633 16.2685 -33.1354 HAL2 10518 0 0 0 0.09 10522 10520 H42 SLES 1 6.51907 16.2517 -32.9112 HAL2 10518 0 0 0 0.09 10523 10521 C5 SLES 1 5.49586 17.9425 -31.8705 CTL2 10518 10522 10523 10524 -0.18 10524 10522 H51 SLES 1 4.62638 18.627 -32.059 HAL2 10521 0 0 0 0.09 10525 10523 H52 SLES 1 6.39754 18.6091 -31.8369 HAL2 10521 0 0 0 0.09 10526 10524 C6 SLES 1 5.3202 17.4182 -30.5112 CTL2 10521 10525 10526 10527 -0.18 10527 10525 H61 SLES 1 4.37297 17.8772 -30.1176 HAL2 10524 0 0 0 0.09 10528 10526 H62 SLES 1 6.14908 17.8591 -29.8948 HAL2 10524 0 0 0 0.09 10529 10527 C7 SLES 1 5.28581 15.8931 -30.3554 CTL2 10524 10528 10529 10530 -0.18 10530 10528 H71 SLES 1 4.43308 15.4027 -30.8817 HAL2 10527 0 0 0 0.09 10531 10529 H72 SLES 1 6.23121 15.3845 -30.656 HAL2 10527 0 0 0 0.09 10532 10530 C8 SLES 1 5.09918 15.8126 -28.8836 CTL2 10527 10531 10532 10533 -0.18 10533 10531 H81 SLES 1 4.14357 16.3626 -28.6547 HAL2 10530 0 0 0 0.09 10534 10532 H82 SLES 1 5.98035 16.3448 -28.4247 HAL2 10530 0 0 0 0.09 10535 10533 C9 SLES 1 5.00139 14.4901 -28.2067 CTL2 10530 10534 10535 10536 -0.18 10536 10534 H91 SLES 1 4.13033 13.92 -28.6004 HAL2 10533 0 0 0 0.09 10537 10535 H92 SLES 1 5.93208 13.9027 -28.3742 HAL2 10533 0 0 0 0.09 10538 10536 C10 SLES 1 4.82396 14.9382 -26.7575 CTL2 10533 10537 10538 10539 -0.18 10539 10537 H10 SLES 1 3.91113 15.587 -26.6673 HAL2 10536 0 0 0 0.09 10540 10538 H10 SLES 1 5.69938 15.5693 -26.443 HAL2 10536 0 0 0 0.09 10541 10539 C11 SLES 1 4.68865 13.8303 -25.7641 CTL2 10536 10540 10541 10542 -0.18 10542 10540 H11 SLES 1 3.80652 13.2192 -26.0667 HAL2 10539 0 0 0 0.09 10543 10541 H11 SLES 1 5.60553 13.2011 -25.8414 HAL2 10539 0 0 0 0.09 10544 10542 C12 SLES 1 4.51832 14.4245 -24.3631 CTL3 10539 10543 10544 10545 -0.27 10545 10543 H12 SLES 1 3.54187 14.1209 -23.9383 HAL3 10542 0 0 0 0.09 10546 10544 H12 SLES 1 5.3535 14.1032 -23.7107 HAL3 10542 0 0 0 0.09 10547 10545 H12 SLES 1 4.53056 15.5422 -24.3699 HAL3 10542 0 0 0 0.09 10548 10546 NA SLES 1 -5.29642 21.7979 -46.0756 NA 0 0 0 0 1 10549 10547 S SLES 1 -7.86915 22.1032 -44.5065 SL 10548 10549 10550 10551 1.33 10550 10548 OS1 SLES 1 -6.92561 21.4741 -43.5667 OSL 10547 10552 0 0 -0.28 10551 10549 OS2 SLES 1 -7.68527 21.0277 -45.4553 O2L 10547 0 0 0 -0.65 10552 10550 OS3 SLES 1 -6.98632 23.2331 -44.6828 O2L 10547 0 0 0 -0.65 10553 10551 OS4 SLES 1 -9.1148 22.2521 -43.8079 O2L 10547 0 0 0 -0.65 10554 10552 C2 SLES 1 -7.14379 21.1272 -42.2578 CC32A 10548 10553 10554 10555 -0.11 10555 10553 H2A SLES 1 -7.97659 20.3795 -42.1782 HCA2 10552 0 0 0 0.09 10556 10554 H2B SLES 1 -7.38568 22.0313 -41.6384 HCA2 10552 0 0 0 0.09 10557 10555 C1 SLES 1 -5.78719 20.5084 -41.8573 CC32A 10552 10556 10557 10558 -0.01 10558 10556 H1B SLES 1 -5.54226 19.6267 -42.5045 HCA2 10555 0 0 0 0.09 10559 10557 H1A SLES 1 -4.96462 21.2595 -41.9494 HCA2 10555 0 0 0 0.09 10560 10558 O1 SLES 1 -5.6295 20.0231 -40.5636 OC30A 10555 10559 0 0 -0.34 10561 10559 C2 SLES 1 -6.73586 20.1044 -39.6837 CC32A 10558 10560 10561 10562 -0.01 10562 10560 H2A SLES 1 -7.61364 19.5331 -40.1014 HCA2 10559 0 0 0 0.09 10563 10561 H2B SLES 1 -7.0485 21.1628 -39.5233 HCA2 10559 0 0 0 0.09 10564 10562 C1 SLES 1 -5.87234 19.2847 -38.6574 CC32A 10559 10563 10564 10565 -0.01 10565 10563 H1B SLES 1 -6.61782 18.4786 -38.6643 HCA2 10562 0 0 0 0.09 10566 10564 H1A SLES 1 -5.96271 20.2749 -38.0797 HCA2 10562 0 0 0 0.09 10567 10565 O1 SLES 1 -5.27003 18.9027 -37.4478 OC30A 10562 10566 0 0 -0.34 10568 10566 C1 SLES 1 -6.10824 18.6787 -36.323 CTL2 10565 10567 10568 10569 -0.18 10569 10567 H11 SLES 1 -7.01712 18.0394 -36.5034 HAL2 10566 0 0 0 0.09 10570 10568 H12 SLES 1 -6.46988 19.6523 -35.9061 HAL2 10566 0 0 0 0.09 10571 10569 C2 SLES 1 -5.10248 17.9885 -35.4026 CTL2 10566 10570 10571 10572 -0.18 10572 10570 H21 SLES 1 -4.7743 16.9875 -35.7727 HAL2 10569 0 0 0 0.09 10573 10571 H22 SLES 1 -4.1993 18.6123 -35.1941 HAL2 10569 0 0 0 0.09 10574 10572 C3 SLES 1 -5.86423 17.8172 -34.151 CTL2 10569 10573 10574 10575 -0.18 10575 10573 H31 SLES 1 -6.75065 17.1881 -34.4369 HAL2 10572 0 0 0 0.09 10576 10574 H32 SLES 1 -6.16173 18.8591 -33.848 HAL2 10572 0 0 0 0.09 10577 10575 C4 SLES 1 -5.24734 17.1797 -32.9484 CTL2 10572 10576 10577 10578 -0.18 10578 10576 H41 SLES 1 -4.9241 16.1315 -33.164 HAL2 10575 0 0 0 0.09 10579 10577 H42 SLES 1 -4.35553 17.7503 -32.5977 HAL2 10575 0 0 0 0.09 10580 10578 C5 SLES 1 -6.45761 17.2764 -32.0098 CTL2 10575 10579 10580 10581 -0.18 10581 10579 H51 SLES 1 -7.34226 16.7458 -32.4524 HAL2 10578 0 0 0 0.09 10582 10580 H52 SLES 1 -6.77939 18.3446 -31.8923 HAL2 10578 0 0 0 0.09 10583 10581 C6 SLES 1 -6.29447 16.7434 -30.6524 CTL2 10578 10582 10583 10584 -0.18 10584 10582 H61 SLES 1 -7.10926 15.9819 -30.514 HAL2 10581 0 0 0 0.09 10585 10583 H62 SLES 1 -6.54468 17.5851 -29.9521 HAL2 10581 0 0 0 0.09 10586 10584 C7 SLES 1 -4.92815 16.1408 -30.3036 CTL2 10581 10585 10586 10587 -0.18 10587 10585 H71 SLES 1 -4.65751 15.2472 -30.9142 HAL2 10584 0 0 0 0.09 10588 10586 H72 SLES 1 -4.08621 16.8703 -30.3452 HAL2 10584 0 0 0 0.09 10589 10587 C8 SLES 1 -5.20005 15.7427 -28.8982 CTL2 10584 10588 10589 10590 -0.18 10590 10588 H81 SLES 1 -6.06984 15.0283 -28.9337 HAL2 10587 0 0 0 0.09 10591 10589 H82 SLES 1 -5.48689 16.6866 -28.3532 HAL2 10587 0 0 0 0.09 10592 10590 C9 SLES 1 -4.1425 15.085 -28.0823 CTL2 10587 10591 10592 10593 -0.18 10593 10591 H91 SLES 1 -3.83006 14.128 -28.5569 HAL2 10590 0 0 0 0.09 10594 10592 H92 SLES 1 -3.25842 15.7547 -27.9869 HAL2 10590 0 0 0 0.09 10595 10593 C10 SLES 1 -4.89499 14.889 -26.7678 CTL2 10590 10594 10595 10596 -0.18 10596 10594 H10 SLES 1 -5.81488 14.2683 -26.9431 HAL2 10593 0 0 0 0.09 10597 10595 H10 SLES 1 -5.247 15.8826 -26.3775 HAL2 10593 0 0 0 0.09 10598 10596 C11 SLES 1 -4.10907 14.2317 -25.6802 CTL2 10593 10597 10598 10599 -0.18 10599 10597 H11 SLES 1 -3.78006 13.2376 -26.0628 HAL2 10596 0 0 0 0.09 10600 10598 H11 SLES 1 -3.2084 14.8615 -25.4941 HAL2 10596 0 0 0 0.09 10601 10599 C12 SLES 1 -4.98473 14.1014 -24.4307 CTL3 10596 10600 10601 10602 -0.27 10602 10600 H12 SLES 1 -5.11134 13.0338 -24.1657 HAL3 10599 0 0 0 0.09 10603 10601 H12 SLES 1 -4.53629 14.6693 -23.5923 HAL3 10599 0 0 0 0.09 10604 10602 H12 SLES 1 -6.01107 14.5167 -24.5843 HAL3 10599 0 0 0 0.09 10605 10603 NA SLES 1 -17.7957 15.4831 -45.6075 NA 0 0 0 0 1 10606 10604 S SLES 1 -19.0841 12.9018 -44.6847 SL 10605 10606 10607 10608 1.33 10607 10605 OS1 SLES 1 -18.2449 13.3311 -43.553 OSL 10604 10609 0 0 -0.28 10608 10606 OS2 SLES 1 -17.9404 12.902 -45.5694 O2L 10604 0 0 0 -0.65 10609 10607 OS3 SLES 1 -19.8262 14.1407 -44.6429 O2L 10604 0 0 0 -0.65 10610 10608 OS4 SLES 1 -19.7041 11.666 -44.2973 O2L 10604 0 0 0 -0.65 10611 10609 C2 SLES 1 -18.0963 12.7208 -42.3337 CC32A 10605 10610 10611 10612 -0.11 10612 10610 H2A SLES 1 -17.6874 11.6831 -42.4559 HCA2 10609 0 0 0 0.09 10613 10611 H2B SLES 1 -19.0737 12.6807 -41.7837 HCA2 10609 0 0 0 0.09 10614 10612 C1 SLES 1 -17.0836 13.649 -41.6292 CC32A 10609 10613 10614 10615 -0.01 10615 10613 H1B SLES 1 -16.1239 13.7059 -42.2055 HCA2 10612 0 0 0 0.09 10616 10614 H1A SLES 1 -17.4982 14.6814 -41.5217 HCA2 10612 0 0 0 0.09 10617 10615 O1 SLES 1 -16.6756 13.3354 -40.3372 OC30A 10612 10616 0 0 -0.34 10618 10616 C2 SLES 1 -17.1987 12.1624 -39.7413 CC32A 10615 10617 10618 10619 -0.01 10619 10617 H2A SLES 1 -16.9318 11.2559 -40.3565 HCA2 10616 0 0 0 0.09 10620 10618 H2B SLES 1 -18.3092 12.2138 -39.6532 HCA2 10616 0 0 0 0.09 10621 10619 C1 SLES 1 -16.2152 12.4328 -38.5453 CC32A 10616 10620 10621 10622 -0.01 10622 10620 H1B SLES 1 -15.715 11.4732 -38.7313 HCA2 10619 0 0 0 0.09 10623 10621 H1A SLES 1 -17.2181 12.57 -37.9998 HCA2 10619 0 0 0 0.09 10624 10622 O1 SLES 1 -15.7452 12.5786 -37.2301 OC30A 10619 10623 0 0 -0.34 10625 10623 C1 SLES 1 -15.9096 11.488 -36.3348 CTL2 10622 10624 10625 10626 -0.18 10626 10624 H11 SLES 1 -15.6081 10.4768 -36.7269 HAL2 10623 0 0 0 0.09 10627 10625 H12 SLES 1 -16.9774 11.4083 -36.0093 HAL2 10623 0 0 0 0.09 10628 10626 C2 SLES 1 -14.9905 11.9568 -35.2076 CTL2 10623 10627 10628 10629 -0.18 10629 10627 H21 SLES 1 -13.9121 11.9862 -35.4956 HAL2 10626 0 0 0 0.09 10630 10628 H22 SLES 1 -15.2816 12.9512 -34.7896 HAL2 10626 0 0 0 0.09 10631 10629 C3 SLES 1 -15.1879 10.9262 -34.1707 CTL2 10626 10630 10631 10632 -0.18 10632 10630 H31 SLES 1 -14.88 9.96236 -34.6601 HAL2 10629 0 0 0 0.09 10633 10631 H32 SLES 1 -16.2889 10.9541 -33.9406 HAL2 10629 0 0 0 0.09 10634 10632 C4 SLES 1 -14.4731 10.9972 -32.8604 CTL2 10629 10633 10634 10635 -0.18 10635 10633 H41 SLES 1 -13.3642 10.9712 -32.9996 HAL2 10632 0 0 0 0.09 10636 10634 H42 SLES 1 -14.7293 11.931 -32.3071 HAL2 10632 0 0 0 0.09 10637 10635 C5 SLES 1 -15.0507 9.72196 -32.2316 CTL2 10632 10636 10637 10638 -0.18 10638 10636 H51 SLES 1 -14.8224 8.82904 -32.8724 HAL2 10635 0 0 0 0.09 10639 10637 H52 SLES 1 -16.1702 9.77804 -32.1873 HAL2 10635 0 0 0 0.09 10640 10638 C6 SLES 1 -14.6011 9.38243 -30.8767 CTL2 10635 10639 10640 10641 -0.18 10641 10639 H61 SLES 1 -14.1777 8.34325 -30.9376 HAL2 10638 0 0 0 0.09 10642 10640 H62 SLES 1 -15.5292 9.29496 -30.2504 HAL2 10638 0 0 0 0.09 10643 10641 C7 SLES 1 -13.5962 10.3367 -30.2201 CTL2 10638 10642 10643 10644 -0.18 10644 10642 H71 SLES 1 -12.6195 10.4047 -30.7548 HAL2 10641 0 0 0 0.09 10645 10643 H72 SLES 1 -13.9879 11.3679 -30.059 HAL2 10641 0 0 0 0.09 10646 10644 C8 SLES 1 -13.4256 9.63808 -28.92 CTL2 10641 10645 10646 10647 -0.18 10647 10645 H81 SLES 1 -13.0516 8.60393 -29.1625 HAL2 10644 0 0 0 0.09 10648 10646 H82 SLES 1 -14.4499 9.58758 -28.4525 HAL2 10644 0 0 0 0.09 10649 10647 C9 SLES 1 -12.511 10.1885 -27.882 CTL2 10644 10648 10649 10650 -0.18 10650 10648 H91 SLES 1 -11.4711 10.2421 -28.2751 HAL2 10647 0 0 0 0.09 10651 10649 H92 SLES 1 -12.8429 11.2067 -27.5782 HAL2 10647 0 0 0 0.09 10652 10650 C10 SLES 1 -12.6871 9.14377 -26.782 CTL2 10647 10651 10652 10653 -0.18 10653 10651 H10 SLES 1 -12.4071 8.1279 -27.1717 HAL2 10650 0 0 0 0.09 10654 10652 H10 SLES 1 -13.7682 9.08572 -26.48 HAL2 10650 0 0 0 0.09 10655 10653 C11 SLES 1 -11.887 9.38703 -25.5437 CTL2 10650 10654 10655 10656 -0.18 10656 10654 H11 SLES 1 -10.8137 9.42227 -25.8437 HAL2 10653 0 0 0 0.09 10657 10655 H11 SLES 1 -12.1828 10.3862 -25.1481 HAL2 10653 0 0 0 0.09 10658 10656 C12 SLES 1 -12.1617 8.26769 -24.5355 CTL3 10653 10657 10658 10659 -0.27 10659 10657 H12 SLES 1 -11.2259 7.71906 -24.3133 HAL3 10656 0 0 0 0.09 10660 10658 H12 SLES 1 -12.6049 8.68909 -23.6123 HAL3 10656 0 0 0 0.09 10661 10659 H12 SLES 1 -12.8899 7.51373 -24.9236 HAL3 10656 0 0 0 0.09 10662 10660 NA SLES 1 -24.6115 1.64418 -45.1462 NA 0 0 0 0 1 10663 10661 S SLES 1 -22.6065 -0.607557 -44.8572 SL 10662 10663 10664 10665 1.33 10664 10662 OS1 SLES 1 -22.6295 0.0495181 -43.5392 OSL 10661 10666 0 0 -0.28 10665 10663 OS2 SLES 1 -22.257 0.637759 -45.5035 O2L 10661 0 0 0 -0.65 10666 10664 OS3 SLES 1 -24.023 -0.880562 -44.7789 O2L 10661 0 0 0 -0.65 10667 10665 OS4 SLES 1 -21.6512 -1.67631 -44.7723 O2L 10661 0 0 0 -0.65 10668 10666 C2 SLES 1 -21.9255 -0.293442 -42.4132 CC32A 10662 10667 10668 10669 -0.11 10669 10667 H2A SLES 1 -20.821 -0.239842 -42.6032 HCA2 10666 0 0 0 0.09 10670 10668 H2B SLES 1 -22.2009 -1.32482 -42.0668 HCA2 10666 0 0 0 0.09 10671 10669 C1 SLES 1 -22.38 0.785828 -41.4071 CC32A 10666 10670 10671 10672 -0.01 10672 10670 H1B SLES 1 -22.1283 1.81251 -41.7798 HCA2 10669 0 0 0 0.09 10673 10671 H1A SLES 1 -23.4825 0.728524 -41.2331 HCA2 10669 0 0 0 0.09 10674 10672 O1 SLES 1 -21.8546 0.763312 -40.1196 OC30A 10669 10673 0 0 -0.34 10675 10673 C2 SLES 1 -20.9092 -0.242648 -39.805 CC32A 10672 10674 10675 10676 -0.01 10676 10674 H2A SLES 1 -20.0109 -0.164001 -40.4821 HCA2 10673 0 0 0 0.09 10677 10675 H2B SLES 1 -21.3486 -1.26114 -39.9195 HCA2 10673 0 0 0 0.09 10678 10676 C1 SLES 1 -20.7282 0.478817 -38.4202 CC32A 10673 10677 10678 10679 -0.01 10679 10677 H1B SLES 1 -19.668 0.65649 -38.6441 HCA2 10676 0 0 0 0.09 10680 10678 H1A SLES 1 -21.1782 -0.515444 -38.0578 HCA2 10676 0 0 0 0.09 10681 10679 O1 SLES 1 -20.6069 0.661847 -37.0332 OC30A 10676 10680 0 0 -0.34 10682 10680 C1 SLES 1 -19.5897 -0.0556061 -36.3488 CTL2 10679 10681 10682 10683 -0.18 10683 10681 H11 SLES 1 -18.5665 -0.0306716 -36.8175 HAL2 10680 0 0 0 0.09 10684 10682 H12 SLES 1 -19.8756 -1.13244 -36.2433 HAL2 10680 0 0 0 0.09 10685 10683 C2 SLES 1 -19.6212 0.688909 -35.0148 CTL2 10680 10684 10685 10686 -0.18 10686 10684 H21 SLES 1 -19.2819 1.75006 -35.0891 HAL2 10683 0 0 0 0.09 10687 10685 H22 SLES 1 -20.6232 0.661981 -34.5214 HAL2 10683 0 0 0 0.09 10688 10686 C3 SLES 1 -18.6621 -0.0705721 -34.1904 CTL2 10683 10687 10688 10689 -0.18 10689 10687 H31 SLES 1 -17.6872 -0.00200562 -34.7457 HAL2 10686 0 0 0 0.09 10690 10688 H32 SLES 1 -19.0665 -1.1202 -34.1685 HAL2 10686 0 0 0 0.09 10691 10689 C4 SLES 1 -18.3838 0.312422 -32.7731 CTL2 10686 10690 10691 10692 -0.18 10692 10690 H41 SLES 1 -17.972 1.34952 -32.7049 HAL2 10689 0 0 0 0.09 10693 10691 H42 SLES 1 -19.3078 0.266707 -32.1502 HAL2 10689 0 0 0 0.09 10694 10692 C5 SLES 1 -17.3605 -0.785032 -32.4513 CTL2 10689 10693 10694 10695 -0.18 10695 10693 H51 SLES 1 -16.4904 -0.731426 -33.1585 HAL2 10692 0 0 0 0.09 10696 10694 H52 SLES 1 -17.8104 -1.8004 -32.6094 HAL2 10692 0 0 0 0.09 10697 10695 C6 SLES 1 -16.7919 -0.792326 -31.0985 CTL2 10692 10696 10697 10698 -0.18 10698 10696 H61 SLES 1 -15.6766 -0.739757 -31.2264 HAL2 10695 0 0 0 0.09 10699 10697 H62 SLES 1 -17.0003 -1.81162 -30.6756 HAL2 10695 0 0 0 0.09 10700 10698 C7 SLES 1 -17.2765 0.29928 -30.1368 CTL2 10695 10699 10700 10701 -0.18 10701 10699 H71 SLES 1 -17.0263 1.33595 -30.4643 HAL2 10698 0 0 0 0.09 10702 10700 H72 SLES 1 -18.3662 0.250531 -29.9066 HAL2 10698 0 0 0 0.09 10703 10701 C8 SLES 1 -16.477 -0.0712677 -28.9405 CTL2 10698 10702 10703 10704 -0.18 10704 10702 H81 SLES 1 -15.3964 -0.0213796 -29.2535 HAL2 10701 0 0 0 0.09 10705 10703 H82 SLES 1 -16.7651 -1.13052 -28.6847 HAL2 10701 0 0 0 0.09 10706 10704 C9 SLES 1 -16.5922 0.716524 -27.6824 CTL2 10701 10705 10706 10707 -0.18 10707 10705 H91 SLES 1 -16.2965 1.77424 -27.8625 HAL2 10704 0 0 0 0.09 10708 10706 H92 SLES 1 -17.6387 0.685989 -27.3042 HAL2 10704 0 0 0 0.09 10709 10707 C10 SLES 1 -15.608 -0.0423176 -26.7947 CTL2 10704 10708 10709 10710 -0.18 10710 10708 H10 SLES 1 -14.588 -0.0391775 -27.2657 HAL2 10707 0 0 0 0.09 10711 10709 H10 SLES 1 -15.9205 -1.11881 -26.7114 HAL2 10707 0 0 0 0.09 10712 10710 C11 SLES 1 -15.4645 0.492708 -25.407 CTL2 10707 10711 10712 10713 -0.18 10713 10711 H11 SLES 1 -15.1334 1.55386 -25.493 HAL2 10710 0 0 0 0.09 10714 10712 H11 SLES 1 -16.4743 0.468091 -24.9355 HAL2 10710 0 0 0 0.09 10715 10713 C12 SLES 1 -14.4523 -0.360704 -24.6375 CTL3 10710 10714 10715 10716 -0.27 10716 10714 H12 SLES 1 -13.5914 0.261463 -24.3247 HAL3 10713 0 0 0 0.09 10717 10715 H12 SLES 1 -14.9411 -0.832578 -23.7629 HAL3 10713 0 0 0 0.09 10718 10716 H12 SLES 1 -14.037 -1.19245 -25.2581 HAL3 10713 0 0 0 0.09 10719 10717 NA SLES 1 -20.8041 -14.3805 -44.8678 NA 0 0 0 0 1 10720 10718 S SLES 1 -17.9724 -13.3093 -44.958 SL 10719 10720 10721 10722 1.33 10721 10719 OS1 SLES 1 -18.3355 -13.2979 -43.5307 OSL 10718 10723 0 0 -0.28 10722 10720 OS2 SLES 1 -19.1074 -12.4743 -45.2825 O2L 10718 0 0 0 -0.65 10723 10721 OS3 SLES 1 -18.2151 -14.7312 -45.039 O2L 10718 0 0 0 -0.65 10724 10722 OS4 SLES 1 -16.6369 -12.7901 -45.0514 O2L 10718 0 0 0 -0.65 10725 10723 C2 SLES 1 -17.5594 -12.9175 -42.4658 CC32A 10719 10724 10725 10726 -0.11 10726 10724 H2A SLES 1 -17.2486 -11.8439 -42.5638 HCA2 10723 0 0 0 0.09 10727 10725 H2B SLES 1 -16.6497 -13.5691 -42.3797 HCA2 10723 0 0 0 0.09 10728 10726 C1 SLES 1 -18.5215 -13.122 -41.2757 CC32A 10723 10727 10728 10729 -0.01 10729 10727 H1B SLES 1 -19.4403 -12.4903 -41.3901 HCA2 10726 0 0 0 0.09 10730 10728 H1A SLES 1 -18.8312 -14.1928 -41.1939 HCA2 10726 0 0 0 0.09 10731 10729 O1 SLES 1 -18.0723 -12.8235 -39.9938 OC30A 10726 10730 0 0 -0.34 10732 10730 C2 SLES 1 -16.7547 -12.3251 -39.8505 CC32A 10729 10731 10732 10733 -0.01 10733 10731 H2A SLES 1 -16.6317 -11.3658 -40.4302 HCA2 10730 0 0 0 0.09 10734 10732 H2B SLES 1 -16.0017 -13.0596 -40.2206 HCA2 10730 0 0 0 0.09 10735 10733 C1 SLES 1 -17.0913 -12.1117 -38.3299 CC32A 10730 10734 10735 10736 -0.01 10736 10734 H1B SLES 1 -16.9162 -11.0329 -38.436 HCA2 10733 0 0 0 0.09 10737 10735 H1A SLES 1 -16.275 -12.9157 -38.2316 HCA2 10733 0 0 0 0.09 10738 10736 O1 SLES 1 -16.9562 -12.1347 -36.9323 OC30A 10733 10737 0 0 -0.34 10739 10737 C1 SLES 1 -15.8078 -11.5253 -36.3598 CTL2 10736 10738 10739 10740 -0.18 10740 10738 H11 SLES 1 -15.5519 -10.4973 -36.7407 HAL2 10737 0 0 0 0.09 10741 10739 H12 SLES 1 -14.9053 -12.1677 -36.5187 HAL2 10737 0 0 0 0.09 10742 10740 C2 SLES 1 -16.251 -11.4948 -34.8977 CTL2 10737 10741 10742 10743 -0.18 10743 10741 H21 SLES 1 -17.1142 -10.8125 -34.7083 HAL2 10740 0 0 0 0.09 10744 10742 H22 SLES 1 -16.4928 -12.5073 -34.4918 HAL2 10740 0 0 0 0.09 10745 10743 C3 SLES 1 -15.0588 -10.9736 -34.2025 CTL2 10740 10744 10745 10746 -0.18 10746 10744 H31 SLES 1 -14.8764 -9.9637 -34.661 HAL2 10743 0 0 0 0.09 10747 10745 H32 SLES 1 -14.2392 -11.7053 -34.4446 HAL2 10743 0 0 0 0.09 10748 10746 C4 SLES 1 -15.0448 -10.7877 -32.7198 CTL2 10743 10747 10748 10749 -0.18 10749 10747 H41 SLES 1 -15.8335 -10.0661 -32.3925 HAL2 10746 0 0 0 0.09 10750 10748 H42 SLES 1 -15.2173 -11.7522 -32.1871 HAL2 10746 0 0 0 0.09 10751 10749 C5 SLES 1 -13.6143 -10.2484 -32.5848 CTL2 10746 10750 10751 10752 -0.18 10752 10750 H51 SLES 1 -13.4841 -9.31956 -33.2015 HAL2 10749 0 0 0 0.09 10753 10751 H52 SLES 1 -12.876 -10.9854 -32.9972 HAL2 10749 0 0 0 0.09 10754 10752 C6 SLES 1 -13.1514 -9.91379 -31.2332 CTL2 10749 10753 10754 10755 -0.18 10755 10753 H61 SLES 1 -12.8242 -8.83935 -31.2703 HAL2 10752 0 0 0 0.09 10756 10754 H62 SLES 1 -12.2145 -10.5099 -31.0654 HAL2 10752 0 0 0 0.09 10757 10755 C7 SLES 1 -14.1438 -10.136 -30.0855 CTL2 10752 10756 10757 10758 -0.18 10758 10756 H71 SLES 1 -15.0639 -9.50872 -30.1538 HAL2 10755 0 0 0 0.09 10759 10757 H72 SLES 1 -14.4463 -11.1999 -29.9463 HAL2 10755 0 0 0 0.09 10760 10758 C8 SLES 1 -13.2952 -9.68588 -28.952 CTL2 10755 10759 10760 10761 -0.18 10761 10759 H81 SLES 1 -13.0125 -8.61827 -29.1721 HAL2 10758 0 0 0 0.09 10762 10760 H82 SLES 1 -12.3814 -10.3457 -28.9611 HAL2 10758 0 0 0 0.09 10763 10761 C9 SLES 1 -13.822 -9.708 -27.5597 CTL2 10758 10762 10763 10764 -0.18 10764 10762 H91 SLES 1 -14.7175 -9.05228 -27.4769 HAL2 10761 0 0 0 0.09 10765 10763 H92 SLES 1 -14.098 -10.7467 -27.2696 HAL2 10761 0 0 0 0.09 10766 10764 C10 SLES 1 -12.6096 -9.17215 -26.801 CTL2 10761 10765 10766 10767 -0.18 10767 10765 H10 SLES 1 -12.3354 -8.15417 -27.1893 HAL2 10764 0 0 0 0.09 10768 10766 H10 SLES 1 -11.7211 -9.83603 -26.9833 HAL2 10764 0 0 0 0.09 10769 10767 C11 SLES 1 -12.7885 -9.0566 -25.3221 CTL2 10764 10768 10769 10770 -0.18 10770 10768 H11 SLES 1 -13.6569 -8.38021 -25.1447 HAL2 10767 0 0 0 0.09 10771 10769 H11 SLES 1 -13.0393 -10.0723 -24.9375 HAL2 10767 0 0 0 0.09 10772 10770 C12 SLES 1 -11.5017 -8.50959 -24.6978 CTL3 10767 10771 10772 10773 -0.27 10773 10771 H12 SLES 1 -11.7043 -7.54371 -24.1956 HAL3 10770 0 0 0 0.09 10774 10772 H12 SLES 1 -11.0815 -9.24745 -23.9868 HAL3 10770 0 0 0 0.09 10775 10773 H12 SLES 1 -10.708 -8.31343 -25.4601 HAL3 10770 0 0 0 0.09 10776 10774 NA SLES 1 -7.15571 -24.2318 -44.8788 NA 0 0 0 0 1 10777 10775 S SLES 1 -7.18211 -21.2038 -44.9487 SL 10776 10777 10778 10779 1.33 10778 10776 OS1 SLES 1 -6.98161 -21.5474 -43.5306 OSL 10775 10780 0 0 -0.28 10779 10777 OS2 SLES 1 -8.40647 -21.9718 -44.991 O2L 10775 0 0 0 -0.65 10780 10778 OS3 SLES 1 -5.99056 -21.9296 -45.3238 O2L 10775 0 0 0 -0.65 10781 10779 OS4 SLES 1 -7.21918 -19.7706 -45.0281 O2L 10775 0 0 0 -0.65 10782 10780 C2 SLES 1 -6.81196 -20.6928 -42.4714 CC32A 10776 10781 10782 10783 -0.11 10783 10781 H2A SLES 1 -7.70536 -20.0244 -42.3528 HCA2 10780 0 0 0 0.09 10784 10782 H2B SLES 1 -5.88754 -20.0701 -42.6027 HCA2 10780 0 0 0 0.09 10785 10783 C1 SLES 1 -6.67582 -21.6717 -41.2853 CC32A 10780 10784 10785 10786 -0.01 10786 10784 H1B SLES 1 -7.5919 -22.3098 -41.1852 HCA2 10783 0 0 0 0.09 10787 10785 H1A SLES 1 -5.78846 -22.338 -41.4191 HCA2 10783 0 0 0 0.09 10788 10786 O1 SLES 1 -6.49267 -21.1531 -40.008 OC30A 10783 10787 0 0 -0.34 10789 10787 C2 SLES 1 -6.46147 -19.7452 -39.8603 CC32A 10786 10788 10789 10790 -0.01 10790 10788 H2A SLES 1 -7.42818 -19.2903 -40.2208 HCA2 10787 0 0 0 0.09 10791 10789 H2B SLES 1 -5.62237 -19.2959 -40.4413 HCA2 10787 0 0 0 0.09 10792 10790 C1 SLES 1 -6.4138 -19.9935 -38.3089 CC32A 10787 10791 10792 10793 -0.01 10793 10791 H1B SLES 1 -7.36019 -19.4504 -38.1864 HCA2 10790 0 0 0 0.09 10794 10792 H1A SLES 1 -5.37983 -19.5119 -38.4549 HCA2 10790 0 0 0 0.09 10795 10793 O1 SLES 1 -6.01846 -19.8825 -36.966 OC30A 10790 10794 0 0 -0.34 10796 10794 C1 SLES 1 -6.04536 -18.5963 -36.3635 CTL2 10793 10795 10796 10797 -0.18 10797 10795 H11 SLES 1 -6.98243 -17.994 -36.5257 HAL2 10794 0 0 0 0.09 10798 10796 H12 SLES 1 -5.18928 -17.9759 -36.7304 HAL2 10794 0 0 0 0.09 10799 10797 C2 SLES 1 -5.88152 -19.0083 -34.9012 CTL2 10794 10798 10799 10800 -0.18 10800 10798 H21 SLES 1 -6.75331 -19.5782 -34.4989 HAL2 10797 0 0 0 0.09 10801 10799 H22 SLES 1 -4.94789 -19.5923 -34.7123 HAL2 10797 0 0 0 0.09 10802 10800 C3 SLES 1 -5.78442 -17.7128 -34.2023 CTL2 10797 10801 10802 10803 -0.18 10803 10801 H31 SLES 1 -6.74839 -17.1851 -34.4383 HAL2 10800 0 0 0 0.09 10804 10802 H32 SLES 1 -4.89499 -17.2009 -34.6634 HAL2 10800 0 0 0 0.09 10805 10803 C4 SLES 1 -5.60064 -17.6422 -32.721 CTL2 10800 10804 10805 10806 -0.18 10806 10804 H41 SLES 1 -6.45018 -18.1292 -32.1817 HAL2 10803 0 0 0 0.09 10807 10805 H42 SLES 1 -4.65713 -18.1451 -32.4036 HAL2 10803 0 0 0 0.09 10808 10806 C5 SLES 1 -5.56987 -16.1143 -32.5812 CTL2 10803 10807 10808 10809 -0.18 10809 10807 H51 SLES 1 -6.51514 -15.6631 -32.9848 HAL2 10806 0 0 0 0.09 10810 10808 H52 SLES 1 -4.74345 -15.6794 -33.2028 HAL2 10806 0 0 0 0.09 10811 10809 C6 SLES 1 -5.39848 -15.5705 -31.2291 CTL2 10806 10810 10811 10812 -0.18 10812 10810 H61 SLES 1 -6.27272 -14.8868 -31.0525 HAL2 10809 0 0 0 0.09 10813 10811 H62 SLES 1 -4.49605 -14.9033 -31.2708 HAL2 10809 0 0 0 0.09 10814 10812 C7 SLES 1 -5.26658 -16.5839 -30.0858 CTL2 10809 10813 10814 10815 -0.18 10815 10813 H71 SLES 1 -6.16824 -17.2249 -29.9418 HAL2 10812 0 0 0 0.09 10816 10814 H72 SLES 1 -4.36952 -17.2412 -30.1629 HAL2 10812 0 0 0 0.09 10817 10815 C8 SLES 1 -5.11946 -15.6372 -28.9501 CTL2 10812 10816 10817 10818 -0.18 10818 10816 H81 SLES 1 -6.04566 -14.9967 -28.9493 HAL2 10815 0 0 0 0.09 10819 10817 H82 SLES 1 -4.20847 -15.0131 -29.1761 HAL2 10815 0 0 0 0.09 10820 10818 C9 SLES 1 -4.95276 -16.1457 -27.5607 CTL2 10815 10819 10820 10821 -0.18 10821 10819 H91 SLES 1 -5.83642 -16.7545 -27.2654 HAL2 10818 0 0 0 0.09 10822 10820 H92 SLES 1 -4.03416 -16.7702 -27.4876 HAL2 10818 0 0 0 0.09 10823 10821 C10 SLES 1 -4.84713 -14.8264 -26.7986 CTL2 10818 10822 10823 10824 -0.18 10824 10822 H10 SLES 1 -5.77058 -14.2103 -26.9716 HAL2 10821 0 0 0 0.09 10825 10823 H10 SLES 1 -3.98182 -14.2264 -27.1919 HAL2 10821 0 0 0 0.09 10826 10824 C11 SLES 1 -4.66624 -14.9611 -25.3215 CTL2 10821 10825 10826 10827 -0.18 10827 10825 H11 SLES 1 -5.53721 -15.5378 -24.9318 HAL2 10824 0 0 0 0.09 10828 10826 H11 SLES 1 -3.73773 -15.5545 -25.1534 HAL2 10824 0 0 0 0.09 10829 10827 C12 SLES 1 -4.57683 -13.5675 -24.6933 CTL3 10824 10828 10829 10830 -0.27 10830 10828 H12 SLES 1 -5.40701 -13.4209 -23.9754 HAL3 10827 0 0 0 0.09 10831 10829 H12 SLES 1 -3.59479 -13.4368 -24.1983 HAL3 10827 0 0 0 0.09 10832 10830 H12 SLES 1 -4.66261 -12.7515 -25.4523 HAL3 10827 0 0 0 0.09 10833 10831 NA SLES 1 9.19953 -22.8161 -45.1749 NA 0 0 0 0 1 10834 10832 S SLES 1 6.38218 -21.7579 -44.8329 SL 10833 10834 10835 10836 1.33 10835 10833 OS1 SLES 1 7.03982 -21.5071 -43.5391 OSL 10832 10837 0 0 -0.28 10836 10834 OS2 SLES 1 6.67565 -23.1707 -44.7403 O2L 10832 0 0 0 -0.65 10837 10835 OS3 SLES 1 7.37612 -20.9699 -45.5245 O2L 10832 0 0 0 -0.65 10838 10836 OS4 SLES 1 5.03153 -21.2859 -44.7112 O2L 10832 0 0 0 -0.65 10839 10837 C2 SLES 1 6.51187 -20.9006 -42.4279 CC32A 10833 10838 10839 10840 -0.11 10840 10838 H2A SLES 1 5.62063 -21.4685 -42.0508 HCA2 10837 0 0 0 0.09 10841 10839 H2B SLES 1 6.21922 -19.8403 -42.6508 HCA2 10837 0 0 0 0.09 10842 10840 C1 SLES 1 7.68977 -20.9694 -41.4322 CC32A 10837 10841 10842 10843 -0.01 10843 10841 H1B SLES 1 7.99336 -22.0317 -41.2433 HCA2 10840 0 0 0 0.09 10844 10842 H1A SLES 1 8.57411 -20.4084 -41.8227 HCA2 10840 0 0 0 0.09 10845 10843 O1 SLES 1 7.51858 -20.4425 -40.1566 OC30A 10840 10844 0 0 -0.34 10846 10844 C2 SLES 1 6.2579 -19.8862 -39.8308 CC32A 10843 10845 10846 10847 -0.01 10847 10845 H2A SLES 1 5.44677 -20.6627 -39.9338 HCA2 10844 0 0 0 0.09 10848 10846 H2B SLES 1 6.01007 -19.0273 -40.4975 HCA2 10844 0 0 0 0.09 10849 10847 C1 SLES 1 6.80246 -19.7243 -38.3652 CC32A 10844 10848 10849 10850 -0.01 10850 10848 H1B SLES 1 6.00995 -20.3857 -37.9908 HCA2 10847 0 0 0 0.09 10851 10849 H1A SLES 1 6.67362 -18.6157 -38.6424 HCA2 10847 0 0 0 0.09 10852 10850 O1 SLES 1 7.09072 -19.1398 -37.1213 OC30A 10847 10851 0 0 -0.34 10853 10851 C1 SLES 1 6.0109 -18.6202 -36.3585 CTL2 10850 10852 10853 10854 -0.18 10854 10852 H11 SLES 1 5.11183 -19.2897 -36.2547 HAL2 10851 0 0 0 0.09 10855 10853 H12 SLES 1 5.65209 -17.6553 -36.7975 HAL2 10851 0 0 0 0.09 10856 10854 C2 SLES 1 6.72801 -18.422 -35.0238 CTL2 10851 10855 10856 10857 -0.18 10857 10855 H21 SLES 1 7.04173 -19.3784 -34.5406 HAL2 10854 0 0 0 0.09 10858 10856 H22 SLES 1 7.61407 -17.7455 -35.0985 HAL2 10854 0 0 0 0.09 10859 10857 C3 SLES 1 5.69933 -17.7717 -34.19 CTL2 10854 10858 10859 10860 -0.18 10860 10858 H31 SLES 1 4.84601 -18.5028 -34.1627 HAL2 10857 0 0 0 0.09 10861 10859 H32 SLES 1 5.43364 -16.8278 -34.7415 HAL2 10857 0 0 0 0.09 10862 10860 C4 SLES 1 5.98132 -17.3785 -32.7762 CTL2 10857 10861 10862 10863 -0.18 10863 10861 H41 SLES 1 6.2524 -18.2662 -32.1531 HAL2 10860 0 0 0 0.09 10864 10862 H42 SLES 1 6.82067 -16.6465 -32.717 HAL2 10860 0 0 0 0.09 10865 10863 C5 SLES 1 4.60813 -16.7804 -32.4419 CTL2 10860 10864 10865 10866 -0.18 10866 10864 H51 SLES 1 3.79927 -17.5443 -32.5914 HAL2 10863 0 0 0 0.09 10867 10865 H52 SLES 1 4.36161 -15.9439 -33.1475 HAL2 10863 0 0 0 0.09 10868 10866 C6 SLES 1 4.42422 -16.2453 -31.088 CTL2 10863 10867 10868 10869 -0.18 10869 10867 H61 SLES 1 3.53643 -16.7822 -30.6561 HAL2 10866 0 0 0 0.09 10870 10868 H62 SLES 1 4.10044 -15.1773 -31.2135 HAL2 10866 0 0 0 0.09 10871 10869 C7 SLES 1 5.62425 -16.3361 -30.1376 CTL2 10866 10870 10871 10872 -0.18 10872 10870 H71 SLES 1 5.94381 -17.3803 -29.9092 HAL2 10869 0 0 0 0.09 10873 10871 H72 SLES 1 6.51452 -15.7554 -30.4736 HAL2 10869 0 0 0 0.09 10874 10872 C8 SLES 1 5.01859 -15.7071 -28.9355 CTL2 10869 10873 10874 10875 -0.18 10875 10873 H81 SLES 1 4.11939 -16.3309 -28.6703 HAL2 10872 0 0 0 0.09 10876 10874 H82 SLES 1 4.70192 -14.6713 -29.2476 HAL2 10872 0 0 0 0.09 10877 10875 C9 SLES 1 5.81165 -15.5507 -27.6851 CTL2 10872 10876 10877 10878 -0.18 10878 10876 H91 SLES 1 6.13669 -16.5465 -27.3089 HAL2 10875 0 0 0 0.09 10879 10877 H92 SLES 1 6.70781 -14.9182 -27.8749 HAL2 10875 0 0 0 0.09 10880 10878 C10 SLES 1 4.77611 -14.8756 -26.7883 CTL2 10875 10879 10880 10881 -0.18 10881 10879 H10 SLES 1 3.86683 -15.529 -26.6958 HAL2 10878 0 0 0 0.09 10882 10880 H10 SLES 1 4.4342 -13.9131 -27.2574 HAL2 10878 0 0 0 0.09 10883 10881 C11 SLES 1 5.24582 -14.5597 -25.4055 CTL2 10878 10882 10883 10884 -0.18 10884 10882 H11 SLES 1 5.56366 -15.5195 -24.9356 HAL2 10881 0 0 0 0.09 10885 10883 H11 SLES 1 6.13486 -13.8941 -25.5007 HAL2 10881 0 0 0 0.09 10886 10884 C12 SLES 1 4.11042 -13.8905 -24.6257 CTL3 10881 10885 10886 10887 -0.27 10887 10885 H12 SLES 1 3.83754 -14.508 -23.748 HAL3 10884 0 0 0 0.09 10888 10886 H12 SLES 1 4.41199 -12.8707 -24.3167 HAL3 10884 0 0 0 0.09 10889 10887 H12 SLES 1 3.1821 -13.777 -25.2378 HAL3 10884 0 0 0 0.09 10890 10888 NA SLES 1 20.1552 -12.0898 -45.643 NA 0 0 0 0 1 10891 10889 S SLES 1 18.2264 -14.2058 -44.6546 SL 10890 10891 10892 10893 1.33 10892 10890 OS1 SLES 1 18.317 -13.2327 -43.5528 OSL 10889 10894 0 0 -0.28 10893 10891 OS2 SLES 1 19.6569 -14.4141 -44.6261 O2L 10889 0 0 0 -0.65 10894 10892 OS3 SLES 1 17.7751 -13.1783 -45.5645 O2L 10889 0 0 0 -0.65 10895 10893 OS4 SLES 1 17.3315 -15.242 -44.2217 O2L 10889 0 0 0 -0.65 10896 10894 C2 SLES 1 17.6547 -13.2539 -42.3519 CC32A 10890 10895 10896 10897 -0.11 10897 10895 H2A SLES 1 17.9105 -14.1804 -41.7731 HCA2 10894 0 0 0 0.09 10898 10896 H2B SLES 1 16.5444 -13.1974 -42.5055 HCA2 10894 0 0 0 0.09 10899 10897 C1 SLES 1 18.1995 -11.9857 -41.6603 CC32A 10894 10898 10899 10900 -0.01 10900 10898 H1B SLES 1 19.3128 -12.0404 -41.5423 HCA2 10897 0 0 0 0.09 10901 10899 H1A SLES 1 17.9467 -11.0708 -42.2505 HCA2 10897 0 0 0 0.09 10902 10900 O1 SLES 1 17.7465 -11.6737 -40.3829 OC30A 10897 10901 0 0 -0.34 10903 10901 C2 SLES 1 16.8194 -12.5532 -39.7733 CC32A 10900 10902 10903 10904 -0.01 10904 10902 H2A SLES 1 17.2608 -13.5865 -39.6787 HCA2 10901 0 0 0 0.09 10905 10903 H2B SLES 1 15.8786 -12.6251 -40.3676 HCA2 10901 0 0 0 0.09 10906 10904 C1 SLES 1 16.9679 -11.6761 -38.4773 CC32A 10901 10905 10906 10907 -0.01 10907 10905 H1B SLES 1 17.3449 -12.5462 -37.9238 HCA2 10904 0 0 0 0.09 10908 10906 H1A SLES 1 15.8642 -11.4657 -38.7223 HCA2 10904 0 0 0 0.09 10909 10907 O1 SLES 1 16.6157 -10.933 -37.339 OC30A 10904 10908 0 0 -0.34 10910 10908 C1 SLES 1 15.8188 -11.5639 -36.3467 CTL2 10907 10909 10910 10911 -0.18 10911 10909 H11 SLES 1 16.1459 -12.5938 -36.0312 HAL2 10908 0 0 0 0.09 10912 10910 H12 SLES 1 14.7584 -11.6491 -36.6943 HAL2 10908 0 0 0 0.09 10913 10911 C2 SLES 1 15.9822 -10.5461 -35.2188 CTL2 10908 10912 10913 10914 -0.18 10914 10912 H21 SLES 1 17.0226 -10.4893 -34.8177 HAL2 10911 0 0 0 0.09 10915 10913 H22 SLES 1 15.6462 -9.51914 -35.503 HAL2 10911 0 0 0 0.09 10916 10914 C3 SLES 1 15.0858 -11.0689 -34.1702 CTL2 10911 10915 10916 10917 -0.18 10917 10915 H31 SLES 1 15.4804 -12.0958 -33.9395 HAL2 10914 0 0 0 0.09 10918 10916 H32 SLES 1 14.0682 -11.1016 -34.6489 HAL2 10914 0 0 0 0.09 10919 10917 C4 SLES 1 14.9239 -10.361 -32.8642 CTL2 10914 10918 10919 10920 -0.18 10920 10918 H41 SLES 1 15.8963 -10.2878 -32.3175 HAL2 10917 0 0 0 0.09 10921 10919 H42 SLES 1 14.5303 -9.32737 -33.0077 HAL2 10917 0 0 0 0.09 10922 10920 C5 SLES 1 13.9197 -11.3263 -32.22 CTL2 10917 10921 10922 10923 -0.18 10923 10921 H51 SLES 1 14.3465 -12.3634 -32.1714 HAL2 10920 0 0 0 0.09 10924 10922 H52 SLES 1 12.9973 -11.4134 -32.8524 HAL2 10920 0 0 0 0.09 10925 10923 C6 SLES 1 13.4608 -11.0057 -30.8636 CTL2 10920 10924 10925 10926 -0.18 10926 10924 H61 SLES 1 13.693 -11.9061 -30.2325 HAL2 10923 0 0 0 0.09 10927 10925 H62 SLES 1 12.3401 -10.9533 -30.9153 HAL2 10923 0 0 0 0.09 10928 10926 C7 SLES 1 14.0303 -9.73514 -30.2211 CTL2 10923 10927 10928 10929 -0.18 10929 10927 H71 SLES 1 15.1351 -9.76025 -30.0687 HAL2 10926 0 0 0 0.09 10930 10928 H72 SLES 1 13.7652 -8.79587 -30.7598 HAL2 10926 0 0 0 0.09 10931 10929 C8 SLES 1 13.3272 -9.79892 -28.9138 CTL2 10926 10930 10931 10932 -0.18 10932 10930 H81 SLES 1 13.6241 -10.7771 -28.4415 HAL2 10929 0 0 0 0.09 10933 10931 H82 SLES 1 12.2247 -9.7927 -29.1482 HAL2 10929 0 0 0 0.09 10934 10932 C9 SLES 1 13.5493 -8.7454 -27.8854 CTL2 10929 10933 10934 10935 -0.18 10935 10933 H91 SLES 1 14.6222 -8.71574 -27.5908 HAL2 10932 0 0 0 0.09 10936 10934 H92 SLES 1 13.2491 -7.75017 -28.2836 HAL2 10932 0 0 0 0.09 10937 10935 C10 SLES 1 12.6322 -9.25175 -26.7741 CTL2 10932 10936 10937 10938 -0.18 10938 10936 H10 SLES 1 12.9399 -10.2878 -26.4673 HAL2 10935 0 0 0 0.09 10939 10937 H10 SLES 1 11.5775 -9.32902 -27.1549 HAL2 10935 0 0 0 0.09 10940 10938 C11 SLES 1 12.6045 -8.40704 -25.5419 CTL2 10935 10939 10940 10941 -0.18 10941 10939 H11 SLES 1 13.6485 -8.35055 -25.1547 HAL2 10938 0 0 0 0.09 10942 10940 H11 SLES 1 12.2781 -7.38571 -25.8467 HAL2 10938 0 0 0 0.09 10943 10941 C12 SLES 1 11.6498 -9.03232 -24.5209 CTL3 10938 10942 10943 10944 -0.27 10944 10942 H12 SLES 1 12.2026 -9.30272 -23.6004 HAL3 10941 0 0 0 0.09 10945 10943 H12 SLES 1 10.822 -8.33156 -24.2968 HAL3 10941 0 0 0 0.09 10946 10944 H12 SLES 1 11.1781 -9.97272 -24.8986 HAL3 10941 0 0 0 0.09 10947 10945 NA SLES 1 6.75885 1.64418 -49.9298 NA 0 0 0 0 1 10948 10946 S SLES 1 8.35083 -0.607557 -48.677 SL 10947 10948 10949 10950 1.33 10949 10947 OS1 SLES 1 7.67191 0.0495181 -47.5471 OSL 10946 10951 0 0 -0.28 10950 10948 OS2 SLES 1 8.97663 0.637759 -49.0619 O2L 10946 0 0 0 -0.65 10951 10949 OS3 SLES 1 7.08492 -0.880562 -49.3175 O2L 10946 0 0 0 -0.65 10952 10950 OS4 SLES 1 9.13563 -1.67631 -48.1259 O2L 10946 0 0 0 -0.65 10953 10951 C2 SLES 1 7.71854 -0.293442 -46.2199 CC32A 10947 10952 10953 10954 -0.11 10954 10952 H2A SLES 1 8.77009 -0.239842 -45.8322 HCA2 10951 0 0 0 0.09 10955 10953 H2B SLES 1 7.30687 -1.32482 -46.0576 HCA2 10951 0 0 0 0.09 10956 10954 C1 SLES 1 6.82192 0.785828 -45.5759 CC32A 10951 10955 10956 10957 -0.01 10957 10955 H1B SLES 1 7.22625 1.81251 -45.7728 HCA2 10954 0 0 0 0.09 10958 10956 H1A SLES 1 5.78007 0.728524 -45.9765 HCA2 10954 0 0 0 0.09 10959 10957 O1 SLES 1 6.63316 0.763312 -44.1982 OC30A 10954 10958 0 0 -0.34 10960 10958 C2 SLES 1 7.29464 -0.242648 -43.453 CC32A 10957 10959 10960 10961 -0.01 10961 10959 H2A SLES 1 8.41108 -0.164001 -43.5902 HCA2 10958 0 0 0 0.09 10962 10960 H2B SLES 1 6.97133 -1.26114 -43.7719 HCA2 10958 0 0 0 0.09 10963 10961 C1 SLES 1 6.75895 0.478817 -42.1633 CC32A 10958 10962 10963 10964 -0.01 10964 10962 H1B SLES 1 7.78902 0.65649 -41.8271 HCA2 10961 0 0 0 0.09 10965 10963 H1A SLES 1 6.18805 -0.515444 -42.0744 HCA2 10961 0 0 0 0.09 10966 10964 O1 SLES 1 6.1705 0.661847 -40.9014 OC30A 10961 10965 0 0 -0.34 10967 10965 C1 SLES 1 6.70925 -0.0556061 -39.8001 CTL2 10964 10966 10967 10968 -0.18 10968 10966 H11 SLES 1 7.82974 -0.0306716 -39.6944 HAL2 10965 0 0 0 0.09 10969 10967 H12 SLES 1 6.40883 -1.13244 -39.8517 HAL2 10965 0 0 0 0.09 10970 10968 C2 SLES 1 6.01496 0.688909 -38.6606 CTL2 10965 10969 10970 10971 -0.18 10971 10969 H21 SLES 1 6.34589 1.75006 -38.5553 HAL2 10968 0 0 0 0.09 10972 10970 H22 SLES 1 4.90043 0.661981 -38.7343 HAL2 10968 0 0 0 0.09 10973 10971 C3 SLES 1 6.43339 -0.0705721 -37.4671 CTL2 10968 10972 10973 10974 -0.18 10974 10972 H31 SLES 1 7.55528 -0.00200562 -37.4606 HAL2 10971 0 0 0 0.09 10975 10973 H32 SLES 1 6.07215 -1.1202 -37.6503 HAL2 10971 0 0 0 0.09 10976 10974 C4 SLES 1 5.96571 0.312422 -36.1005 CTL2 10971 10975 10976 10977 -0.18 10977 10975 H41 SLES 1 6.28821 1.34952 -35.8356 HAL2 10974 0 0 0 0.09 10978 10976 H42 SLES 1 4.85404 0.266707 -36.0231 HAL2 10974 0 0 0 0.09 10979 10977 C5 SLES 1 6.69103 -0.785032 -35.3102 CTL2 10974 10978 10979 10980 -0.18 10980 10978 H51 SLES 1 7.79812 -0.731426 -35.4876 HAL2 10977 0 0 0 0.09 10981 10979 H52 SLES 1 6.3804 -1.8004 -35.672 HAL2 10977 0 0 0 0.09 10982 10980 C6 SLES 1 6.5071 -0.792326 -33.8543 CTL2 10977 10981 10982 10983 -0.18 10983 10981 H61 SLES 1 7.53688 -0.739757 -33.4075 HAL2 10980 0 0 0 0.09 10984 10982 H62 SLES 1 6.11509 -1.81162 -33.5923 HAL2 10980 0 0 0 0.09 10985 10983 C7 SLES 1 5.60646 0.29928 -33.2638 CTL2 10980 10984 10985 10986 -0.18 10986 10984 H71 SLES 1 5.98696 1.33595 -33.4223 HAL2 10983 0 0 0 0.09 10987 10985 H72 SLES 1 4.54771 0.250531 -33.6093 HAL2 10983 0 0 0 0.09 10988 10986 C8 SLES 1 5.70073 -0.0712677 -31.828 CTL2 10983 10987 10988 10989 -0.18 10989 10987 H81 SLES 1 6.79305 -0.0213796 -31.5588 HAL2 10986 0 0 0 0.09 10990 10988 H82 SLES 1 5.32335 -1.13052 -31.7505 HAL2 10986 0 0 0 0.09 10991 10989 C9 SLES 1 4.97192 0.716524 -30.796 CTL2 10986 10990 10991 10992 -0.18 10992 10990 H91 SLES 1 5.31811 1.77424 -30.8042 HAL2 10989 0 0 0 0.09 10993 10991 H92 SLES 1 3.8765 0.685989 -30.9918 HAL2 10989 0 0 0 0.09 10994 10992 C10 SLES 1 5.38043 -0.0423176 -29.5351 CTL2 10989 10993 10994 10995 -0.18 10995 10993 H10 SLES 1 6.49928 -0.0391775 -29.4331 HAL2 10992 0 0 0 0.09 10996 10994 H10 SLES 1 5.06815 -1.11881 -29.6193 HAL2 10992 0 0 0 0.09 10997 10995 C11 SLES 1 4.81082 0.492708 -28.2616 CTL2 10992 10996 10997 10998 -0.18 10998 10996 H11 SLES 1 5.14056 1.55386 -28.1706 HAL2 10995 0 0 0 0.09 10999 10997 H11 SLES 1 3.70062 0.468091 -28.3582 HAL2 10995 0 0 0 0.09 11000 10998 C12 SLES 1 5.30269 -0.360704 -27.0892 CTL3 10995 10999 11000 11001 -0.27 11001 10999 H12 SLES 1 5.89185 0.261463 -26.3878 HAL3 10998 0 0 0 0.09 11002 11000 H12 SLES 1 4.44211 -0.832578 -26.5761 HAL3 10998 0 0 0 0.09 11003 11001 H12 SLES 1 5.97263 -1.19245 -27.419 HAL3 10998 0 0 0 0.09 11004 11002 NA SLES 1 -1.95358 7.19624 -49.8705 NA 0 0 0 0 1 11005 11003 S SLES 1 -4.70247 6.68869 -48.7042 SL 11004 11005 11006 11007 1.33 11006 11004 OS1 SLES 1 -3.79302 6.68099 -47.5457 OSL 11003 11008 0 0 -0.28 11007 11005 OS2 SLES 1 -3.94517 5.6347 -49.3416 O2L 11003 0 0 0 -0.65 11008 11006 OS3 SLES 1 -4.29634 8.03091 -49.0518 O2L 11003 0 0 0 -0.65 11009 11007 OS4 SLES 1 -6.02193 6.43303 -48.1987 O2L 11003 0 0 0 -0.65 11010 11008 C2 SLES 1 -4.11349 6.51297 -46.2227 CC32A 11004 11009 11010 11011 -0.11 11011 11009 H2A SLES 1 -4.60006 5.51593 -46.0551 HCA2 11008 0 0 0 0.09 11012 11010 H2B SLES 1 -4.79455 7.33147 -45.8681 HCA2 11008 0 0 0 0.09 11013 11011 C1 SLES 1 -2.72934 6.58891 -45.5431 CC32A 11008 11012 11013 11014 -0.01 11014 11012 H1B SLES 1 -2.04858 5.78668 -45.9295 HCA2 11011 0 0 0 0.09 11015 11013 H1A SLES 1 -2.25087 7.58253 -45.7247 HCA2 11011 0 0 0 0.09 11016 11014 O1 SLES 1 -2.65433 6.44916 -44.1614 OC30A 11011 11015 0 0 -0.34 11017 11015 C2 SLES 1 -3.85736 6.22252 -43.45 CC32A 11014 11016 11017 11018 -0.01 11018 11016 H2A SLES 1 -4.35475 5.2765 -43.8093 HCA2 11015 0 0 0 0.09 11019 11017 H2B SLES 1 -4.57165 7.06851 -43.5829 HCA2 11015 0 0 0 0.09 11020 11018 C1 SLES 1 -2.96505 6.02679 -42.1708 CC32A 11015 11019 11020 11021 -0.01 11021 11019 H1B SLES 1 -3.33371 4.99812 -42.0632 HCA2 11018 0 0 0 0.09 11022 11020 H1A SLES 1 -3.53342 6.97724 -41.861 HCA2 11018 0 0 0 0.09 11023 11021 O1 SLES 1 -2.51031 6.14743 -40.8477 OC30A 11018 11022 0 0 -0.34 11024 11022 C1 SLES 1 -3.40271 5.8015 -39.798 CTL2 11021 11023 11024 11025 -0.18 11025 11023 H11 SLES 1 -3.94867 4.82404 -39.9153 HAL2 11022 0 0 0 0.09 11026 11024 H12 SLES 1 -4.17912 6.59701 -39.6682 HAL2 11022 0 0 0 0.09 11027 11025 C2 SLES 1 -2.41009 5.76138 -38.6369 CTL2 11022 11026 11027 11028 -0.18 11028 11026 H21 SLES 1 -1.6627 4.93593 -38.7185 HAL2 11025 0 0 0 0.09 11029 11027 H22 SLES 1 -1.8689 6.72765 -38.4894 HAL2 11025 0 0 0 0.09 11030 11028 C3 SLES 1 -3.27788 5.51661 -37.4693 CTL2 11025 11029 11030 11031 -0.18 11031 11029 H31 SLES 1 -3.78684 4.53871 -37.6885 HAL2 11028 0 0 0 0.09 11032 11030 H32 SLES 1 -3.99993 6.37935 -37.4591 HAL2 11028 0 0 0 0.09 11033 11031 C4 SLES 1 -2.71195 5.41353 -36.0901 CTL2 11028 11032 11033 11034 -0.18 11034 11032 H41 SLES 1 -1.98116 4.57117 -36.0118 HAL2 11031 0 0 0 0.09 11035 11033 H42 SLES 1 -2.18853 6.35272 -35.7938 HAL2 11031 0 0 0 0.09 11036 11034 C5 SLES 1 -4.02624 5.16828 -35.3368 CTL2 11031 11035 11036 11037 -0.18 11037 11035 H51 SLES 1 -4.54046 4.25152 -35.7306 HAL2 11034 0 0 0 0.09 11038 11036 H52 SLES 1 -4.74422 6.01172 -35.5143 HAL2 11034 0 0 0 0.09 11039 11037 C6 SLES 1 -3.94062 4.99939 -33.8816 CTL2 11034 11038 11039 11040 -0.18 11040 11038 H61 SLES 1 -4.4171 4.00787 -33.652 HAL2 11037 0 0 0 0.09 11041 11039 H62 SLES 1 -4.6213 5.77299 -33.4349 HAL2 11037 0 0 0 0.09 11042 11040 C7 SLES 1 -2.54375 5.08464 -33.2547 CTL2 11037 11041 11042 11043 -0.18 11043 11041 H71 SLES 1 -1.84235 4.28888 -33.6002 HAL2 11040 0 0 0 0.09 11044 11042 H72 SLES 1 -2.04938 6.07587 -33.3803 HAL2 11040 0 0 0 0.09 11045 11043 C8 SLES 1 -2.91222 4.86583 -31.8321 CTL2 11040 11044 11045 11046 -0.18 11046 11044 H81 SLES 1 -3.42253 3.86298 -31.7874 HAL2 11043 0 0 0 0.09 11047 11045 H82 SLES 1 -3.6346 5.68832 -31.5635 HAL2 11043 0 0 0 0.09 11048 11046 C9 SLES 1 -1.86471 4.85752 -30.774 CTL2 11043 11047 11048 11049 -0.18 11049 11047 H91 SLES 1 -1.12791 4.04641 -30.9687 HAL2 11046 0 0 0 0.09 11050 11048 H92 SLES 1 -1.3362 5.83692 -30.7487 HAL2 11046 0 0 0 0.09 11051 11049 C10 SLES 1 -2.72699 4.60561 -29.5389 CTL2 11046 11050 11051 11052 -0.18 11052 11050 H10 SLES 1 -3.29091 3.64109 -29.657 HAL2 11049 0 0 0 0.09 11053 11051 H10 SLES 1 -3.49707 5.41824 -29.4386 HAL2 11049 0 0 0 0.09 11054 11052 C11 SLES 1 -1.97826 4.53404 -28.2478 CTL2 11049 11053 11054 11055 -0.18 11055 11053 H11 SLES 1 -1.23025 3.71279 -28.3431 HAL2 11052 0 0 0 0.09 11056 11054 H11 SLES 1 -1.43724 5.50067 -28.1236 HAL2 11052 0 0 0 0.09 11057 11055 C12 SLES 1 -2.96422 4.27865 -27.1043 CTL3 11052 11056 11057 11058 -0.27 11058 11056 H12 SLES 1 -2.72663 3.31901 -26.6056 HAL3 11055 0 0 0 0.09 11059 11057 H12 SLES 1 -2.93579 5.11937 -26.384 HAL3 11055 0 0 0 0.09 11060 11058 H12 SLES 1 -4.02041 4.20039 -27.4617 HAL3 11055 0 0 0 0.09 -
tests/regression/Molecules/CreateMicelle/pre/tensid.data
r3d0892 r2034f3 1 1 # ATOMDATA Id name resName chainID x=3 type neighbors=4 charge 2 2 # Box 20 0 0 0 20 0 0 0 20 3 1 NA SLES 1 32.397 35.231 26.737 NA 0 0 0 0 1 .000000e+004 2 S SLES 1 31.282 33.88 29.208 SL 3 4 5 6 1.33 0000e+005 3 OS1 SLES 1 30.788 33.072 28.08 OSL 2 7 0 0 - 2.800000e-016 4 OS2 SLES 1 30.674 35.071 28.658 O2L 2 0 0 0 - 6.500000e-017 5 OS3 SLES 1 32.652 33.652 28.81 O2L 2 0 0 0 - 6.500000e-018 6 OS4 SLES 1 30.761 33.284 30.406 O2L 2 0 0 0 - 6.500000e-019 7 C2 SLES 1 30.018 31.938 28.128 CC32A 3 8 9 10 - 1.100000e-0110 8 H2A SLES 1 29.033 32.147 28.623 HCA2 7 0 0 0 9.000000e-0211 9 H2B SLES 1 30.55 31.115 28.675 HCA2 7 0 0 0 9.000000e-0212 10 C1 SLES 1 29.84 31.605 26.631 CC32A 7 11 12 13 - 1.000000e-0213 11 H1B SLES 1 29.337 32.448 26.09 HCA2 10 0 0 0 9.000000e-0214 12 H1A SLES 1 30.828 31.408 26.147 HCA2 10 0 0 0 9.000000e-0215 13 O1 SLES 1 29.087 30.49 26.279 OC30A 10 14 0 0 - 3.400000e-0116 14 C2 SLES 1 28.503 29.727 27.319 CC32A 13 15 16 17 - 1.000000e-0217 15 H2A SLES 1 27.804 30.366 27.931 HCA2 14 0 0 0 9.000000e-0218 16 H2B SLES 1 29.281 29.306 27.998 HCA2 14 0 0 0 9.000000e-0219 17 C1 SLES 1 27.786 28.897 26.193 CC32A 14 18 19 20 - 1.000000e-0220 18 H1B SLES 1 26.806 29.197 26.587 HCA2 17 0 0 0 9.000000e-0221 19 H1A SLES 1 28.461 28.076 26.632 HCA2 17 0 0 0 9.000000e-0222 20 O1 SLES 1 27.309 27.793 25.468 OC30A 17 21 0 0 - 3.400000e-0123 21 C1 SLES 1 26.479 26.857 26.141 CTL2 20 22 23 24 - 1.800000e-0124 22 H11 SLES 1 25.639 27.291 26.752 HAL2 21 0 0 0 9.000000e-0225 23 H12 SLES 1 27.089 26.219 26.829 HAL2 21 0 0 0 9.000000e-0226 24 C2 SLES 1 25.959 26.079 24.933 CTL2 21 25 26 27 - 1.800000e-0127 25 H21 SLES 1 25.299 26.683 24.265 HAL2 24 0 0 0 9.000000e-0228 26 H22 SLES 1 26.775 25.623 24.321 HAL2 24 0 0 0 9.000000e-0229 27 C3 SLES 1 25.166 25 25.552 CTL2 24 28 29 30 - 1.800000e-0130 28 H31 SLES 1 24.374 25.53 26.148 HAL2 27 0 0 0 9.000000e-0231 29 H32 SLES 1 25.893 24.446 26.208 HAL2 27 0 0 0 9.000000e-0232 30 C4 SLES 1 24.47 23.973 24.719 CTL2 27 31 32 33 - 1.800000e-0133 31 H41 SLES 1 23.721 24.443 24.035 HAL2 30 0 0 0 9.000000e-0234 32 H42 SLES 1 25.193 23.397 24.095 HAL2 30 0 0 0 9.000000e-0235 33 C5 SLES 1 23.845 23.159 25.86 CTL2 30 34 35 36 - 1.800000e-0136 34 H51 SLES 1 23.187 23.811 26.494 HAL2 33 0 0 0 9.000000e-0237 35 H52 SLES 1 24.641 22.777 26.552 HAL2 33 0 0 0 9.000000e-0238 36 C6 SLES 1 23.033 21.996 25.484 CTL2 33 37 38 39 - 1.800000e-0139 37 H61 SLES 1 22.025 22.151 25.956 HAL2 36 0 0 0 9.000000e-0240 38 H62 SLES 1 23.483 21.114 26.014 HAL2 36 0 0 0 9.000000e-0241 39 C7 SLES 1 22.888 21.707 23.985 CTL2 36 40 41 42 - 1.800000e-0142 40 H71 SLES 1 22.373 22.516 23.415 HAL2 39 0 0 0 9.000000e-0243 41 H72 SLES 1 23.849 21.466 23.474 HAL2 39 0 0 0 9.000000e-0244 42 C8 SLES 1 22.025 20.5 24.062 CTL2 39 43 44 45 - 1.800000e-0145 43 H81 SLES 1 21.09 20.813 24.606 HAL2 42 0 0 0 9.000000e-0246 44 H82 SLES 1 22.598 19.741 24.667 HAL2 42 0 0 0 9.000000e-0247 45 C9 SLES 1 21.583 19.808 22.82 CTL2 42 46 47 48 - 1.800000e-0148 46 H91 SLES 1 20.987 20.501 22.185 HAL2 45 0 0 0 9.000000e-0249 47 H92 SLES 1 22.466 19.449 22.245 HAL2 45 0 0 0 9.000000e-0250 48 C10 SLES 1 20.753 18.675 23.42 CTL2 45 49 50 51 - 1.800000e-0151 49 H10 SLES 1 19.924 19.1 24.048 HAL2 48 0 0 0 9.000000e-0252 50 H10 SLES 1 21.392 18.056 24.107 HAL2 48 0 0 0 9.000000e-0253 51 C11 SLES 1 20.134 17.748 22.425 CTL2 48 52 53 54 - 1.800000e-0154 52 H11 SLES 1 19.484 18.362 21.759 HAL2 51 0 0 0 9.000000e-0255 53 H11 SLES 1 20.961 17.312 21.818 HAL2 51 0 0 0 9.000000e-0256 54 C12 SLES 1 19.337 16.67 23.165 CTL3 51 55 56 57 - 2.700000e-0157 55 H12 SLES 1 18.268 16.727 22.882 HAL3 54 0 0 0 9.000000e-0258 56 H12 SLES 1 19.755 15.669 22.942 HAL3 54 0 0 0 9.000000e-0259 57 H12 SLES 1 19.381 16.794 24.275 HAL3 54 0 0 0 9.000000e-023 1 NA SLES 1 32.397 35.231 26.737 NA 0 0 0 0 1 4 2 S SLES 1 31.282 33.88 29.208 SL 3 4 5 6 1.33 5 3 OS1 SLES 1 30.788 33.072 28.08 OSL 2 7 0 0 -0.28 6 4 OS2 SLES 1 30.674 35.071 28.658 O2L 2 0 0 0 -0.65 7 5 OS3 SLES 1 32.652 33.652 28.81 O2L 2 0 0 0 -0.65 8 6 OS4 SLES 1 30.761 33.284 30.406 O2L 2 0 0 0 -0.65 9 7 C2 SLES 1 30.018 31.938 28.128 CC32A 3 8 9 10 -0.11 10 8 H2A SLES 1 29.033 32.147 28.623 HCA2 7 0 0 0 0.09 11 9 H2B SLES 1 30.55 31.115 28.675 HCA2 7 0 0 0 0.09 12 10 C1 SLES 1 29.84 31.605 26.631 CC32A 7 11 12 13 -0.01 13 11 H1B SLES 1 29.337 32.448 26.09 HCA2 10 0 0 0 0.09 14 12 H1A SLES 1 30.828 31.408 26.147 HCA2 10 0 0 0 0.09 15 13 O1 SLES 1 29.087 30.49 26.279 OC30A 10 14 0 0 -0.34 16 14 C2 SLES 1 28.503 29.727 27.319 CC32A 13 15 16 17 -0.01 17 15 H2A SLES 1 27.804 30.366 27.931 HCA2 14 0 0 0 0.09 18 16 H2B SLES 1 29.281 29.306 27.998 HCA2 14 0 0 0 0.09 19 17 C1 SLES 1 27.786 28.897 26.193 CC32A 14 18 19 20 -0.01 20 18 H1B SLES 1 26.806 29.197 26.587 HCA2 17 0 0 0 0.09 21 19 H1A SLES 1 28.461 28.076 26.632 HCA2 17 0 0 0 0.09 22 20 O1 SLES 1 27.309 27.793 25.468 OC30A 17 21 0 0 -0.34 23 21 C1 SLES 1 26.479 26.857 26.141 CTL2 20 22 23 24 -0.18 24 22 H11 SLES 1 25.639 27.291 26.752 HAL2 21 0 0 0 0.09 25 23 H12 SLES 1 27.089 26.219 26.829 HAL2 21 0 0 0 0.09 26 24 C2 SLES 1 25.959 26.079 24.933 CTL2 21 25 26 27 -0.18 27 25 H21 SLES 1 25.299 26.683 24.265 HAL2 24 0 0 0 0.09 28 26 H22 SLES 1 26.775 25.623 24.321 HAL2 24 0 0 0 0.09 29 27 C3 SLES 1 25.166 25 25.552 CTL2 24 28 29 30 -0.18 30 28 H31 SLES 1 24.374 25.53 26.148 HAL2 27 0 0 0 0.09 31 29 H32 SLES 1 25.893 24.446 26.208 HAL2 27 0 0 0 0.09 32 30 C4 SLES 1 24.47 23.973 24.719 CTL2 27 31 32 33 -0.18 33 31 H41 SLES 1 23.721 24.443 24.035 HAL2 30 0 0 0 0.09 34 32 H42 SLES 1 25.193 23.397 24.095 HAL2 30 0 0 0 0.09 35 33 C5 SLES 1 23.845 23.159 25.86 CTL2 30 34 35 36 -0.18 36 34 H51 SLES 1 23.187 23.811 26.494 HAL2 33 0 0 0 0.09 37 35 H52 SLES 1 24.641 22.777 26.552 HAL2 33 0 0 0 0.09 38 36 C6 SLES 1 23.033 21.996 25.484 CTL2 33 37 38 39 -0.18 39 37 H61 SLES 1 22.025 22.151 25.956 HAL2 36 0 0 0 0.09 40 38 H62 SLES 1 23.483 21.114 26.014 HAL2 36 0 0 0 0.09 41 39 C7 SLES 1 22.888 21.707 23.985 CTL2 36 40 41 42 -0.18 42 40 H71 SLES 1 22.373 22.516 23.415 HAL2 39 0 0 0 0.09 43 41 H72 SLES 1 23.849 21.466 23.474 HAL2 39 0 0 0 0.09 44 42 C8 SLES 1 22.025 20.5 24.062 CTL2 39 43 44 45 -0.18 45 43 H81 SLES 1 21.09 20.813 24.606 HAL2 42 0 0 0 0.09 46 44 H82 SLES 1 22.598 19.741 24.667 HAL2 42 0 0 0 0.09 47 45 C9 SLES 1 21.583 19.808 22.82 CTL2 42 46 47 48 -0.18 48 46 H91 SLES 1 20.987 20.501 22.185 HAL2 45 0 0 0 0.09 49 47 H92 SLES 1 22.466 19.449 22.245 HAL2 45 0 0 0 0.09 50 48 C10 SLES 1 20.753 18.675 23.42 CTL2 45 49 50 51 -0.18 51 49 H10 SLES 1 19.924 19.1 24.048 HAL2 48 0 0 0 0.09 52 50 H10 SLES 1 21.392 18.056 24.107 HAL2 48 0 0 0 0.09 53 51 C11 SLES 1 20.134 17.748 22.425 CTL2 48 52 53 54 -0.18 54 52 H11 SLES 1 19.484 18.362 21.759 HAL2 51 0 0 0 0.09 55 53 H11 SLES 1 20.961 17.312 21.818 HAL2 51 0 0 0 0.09 56 54 C12 SLES 1 19.337 16.67 23.165 CTL3 51 55 56 57 -0.27 57 55 H12 SLES 1 18.268 16.727 22.882 HAL3 54 0 0 0 0.09 58 56 H12 SLES 1 19.755 15.669 22.942 HAL3 54 0 0 0 0.09 59 57 H12 SLES 1 19.381 16.794 24.275 HAL3 54 0 0 0 0.09 -
tests/regression/Molecules/CreateMicelle/pre/tensid.potentials
r3d0892 r2034f3 10 10 particle: particle_type=CC326A, element_name=C, sigma=4.02, epsilon=0.056, sigma14=3.8, epsilon14=0.01, mass=12.011, free=3, charge=0; 11 11 particle: particle_type=CC33A, element_name=C, sigma=4.08, epsilon=0.078, sigma14=3.8, epsilon14=0.01, mass=12.011, free=3, charge=0; 12 particle: particle_type=NE, element_name=N E, sigma=3.06, epsilon=0.086, sigma14=3.06, epsilon14=0.086, mass=20.1797, free=3, charge=0;13 particle: particle_type=CLA, element_name=C L, sigma=4.54, epsilon=0.15, sigma14=4.54, epsilon14=0.15, mass=35.45, free=3, charge=0;12 particle: particle_type=NE, element_name=Ne, sigma=3.06, epsilon=0.086, sigma14=3.06, epsilon14=0.086, mass=20.1797, free=3, charge=0; 13 particle: particle_type=CLA, element_name=Cl, sigma=4.54, epsilon=0.15, sigma14=4.54, epsilon14=0.15, mass=35.45, free=3, charge=0; 14 14 particle: particle_type=DUM, element_name=H, sigma=0, epsilon=0, sigma14=0, epsilon14=0, mass=0, free=3, charge=0; 15 15 particle: particle_type=NA, element_name=Na, sigma=2.7275, epsilon=0.0469, sigma14=2.7275, epsilon14=0.0469, mass=22.98977, free=3, charge=0; … … 24 24 particle: particle_type=HAL1, element_name=H, sigma=2.64, epsilon=0.022, sigma14=2.64, epsilon14=0.022, mass=1.008, free=3, charge=0; 25 25 particle: particle_type=HEL2, element_name=H, sigma=2.52, epsilon=0.026, sigma14=2.52, epsilon14=0.026, mass=1.008, free=3, charge=0; 26 particle: particle_type=HE, element_name=H E, sigma=2.96, epsilon=0.02127, sigma14=2.96, epsilon14=0.02127, mass=4.0026, free=3, charge=0;26 particle: particle_type=HE, element_name=He, sigma=2.96, epsilon=0.02127, sigma14=2.96, epsilon14=0.02127, mass=4.0026, free=3, charge=0; 27 27 particle: particle_type=HCA3, element_name=H, sigma=2.68, epsilon=0.024, sigma14=2.68, epsilon14=0.024, mass=1.008, free=3, charge=0; 28 28 particle: particle_type=OHL, element_name=O, sigma=3.54, epsilon=0.1521, sigma14=3.54, epsilon14=0.1521, mass=15.9994, free=3, charge=0; … … 35 35 particle: particle_type=HAL2, element_name=H, sigma=2.68, epsilon=0.028, sigma14=2.68, epsilon14=0.028, mass=1.008, free=3, charge=0; 36 36 particle: particle_type=OCL, element_name=O, sigma=3.4, epsilon=0.12, sigma14=3.4, epsilon14=0.12, mass=15.9994, free=3, charge=0; 37 particle: particle_type=MG, element_name=M G, sigma=2.37, epsilon=0.015, sigma14=2.37, epsilon14=0.015, mass=24.305, free=3, charge=0;37 particle: particle_type=MG, element_name=Mg, sigma=2.37, epsilon=0.015, sigma14=2.37, epsilon14=0.015, mass=24.305, free=3, charge=0; 38 38 particle: particle_type=OC30A, element_name=O, sigma=3.3, epsilon=0.1, sigma14=3.3, epsilon14=0.1, mass=15.9994, free=3, charge=0; 39 39 particle: particle_type=HAL3, element_name=H, sigma=2.68, epsilon=0.024, sigma14=2.68, epsilon14=0.024, mass=1.008, free=3, charge=0;
Note:
See TracChangeset
for help on using the changeset viewer.
