source: tests/Tesselations/Convex/amylose/pre/amylose.pdb@ 0516fd

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
Last change on this file since 0516fd was 33ee99, checked in by Frederik Heber <heber@…>, 10 years ago

TESTS: Extended Tesselations tests to convex case.

  • moved all present tests to NonConvex folder, added same set but including amylose in Convex folder.
  • Property mode set to 100644
File size: 37.1 KB
Line 
1REMARK created by molecuilder on Sun Oct 5 13:35:00 2014, time step 0
2HETATM 1 C 0non 01 8.329 9.052 8.221 0.00 0.00 C 0
3HETATM 2 C 0non 01 7.956 7.629 7.883 0.00 0.00 C 0
4HETATM 3 C 0non 01 9.189 6.781 7.677 0.00 0.00 C 0
5HETATM 4 C 0non 01 10.040 7.431 6.604 0.00 0.00 C 0
6HETATM 5 C 0non 01 10.387 8.852 7.021 0.00 0.00 C 0
7HETATM 6 C 0non 01 11.177 9.595 5.956 0.00 0.00 C 0
8HETATM 7 O 0non 01 9.210 9.615 7.258 0.00 0.00 O 0
9HETATM 8 O 0non 01 7.160 7.074 8.933 0.00 0.00 O 0
10HETATM 9 O 0non 01 8.794 5.478 7.252 0.00 0.00 O 0
11HETATM 10 O 0non 01 11.220 6.642 6.445 0.00 0.00 O 0
12HETATM 11 O 0non 01 11.391 10.932 6.413 0.00 0.00 O 0
13HETATM 12 C 0non 01 8.224 11.752 12.657 0.00 0.00 C 0
14HETATM 13 C 0non 01 7.061 11.088 11.950 0.00 0.00 C 0
15HETATM 14 C 0non 01 7.481 9.849 11.192 0.00 0.00 C 0
16HETATM 15 C 0non 01 8.607 10.252 10.254 0.00 0.00 C 0
17HETATM 16 C 0non 01 9.759 10.728 11.134 0.00 0.00 C 0
18HETATM 17 C 0non 01 10.998 11.096 10.331 0.00 0.00 C 0
19HETATM 18 O 0non 01 9.370 11.905 11.830 0.00 0.00 O 0
20HETATM 19 O 0non 01 6.049 10.721 12.886 0.00 0.00 O 0
21HETATM 20 O 0non 01 6.351 9.345 10.480 0.00 0.00 O 0
22HETATM 21 O 0non 01 8.995 9.132 9.477 0.00 0.00 O 0
23HETATM 22 O 0non 01 11.957 11.660 11.227 0.00 0.00 O 0
24HETATM 23 C 0non 01 8.005 12.332 17.775 0.00 0.00 C 0
25HETATM 24 C 0non 01 7.141 11.235 17.191 0.00 0.00 C 0
26HETATM 25 C 0non 01 7.765 10.532 16.005 0.00 0.00 C 0
27HETATM 26 C 0non 01 8.178 11.621 15.028 0.00 0.00 C 0
28HETATM 27 C 0non 01 9.248 12.446 15.734 0.00 0.00 C 0
29HETATM 28 C 0non 01 9.915 13.496 14.860 0.00 0.00 C 0
30HETATM 29 O 0non 01 8.649 13.151 16.810 0.00 0.00 O 0
31HETATM 30 O 0non 01 6.790 10.279 18.192 0.00 0.00 O 0
32HETATM 31 O 0non 01 6.777 9.685 15.415 0.00 0.00 O 0
33HETATM 32 O 0non 01 8.638 11.034 13.817 0.00 0.00 O 0
34HETATM 33 O 0non 01 10.806 14.255 15.680 0.00 0.00 O 0
35HETATM 34 C 0non 01 9.623 13.540 22.474 0.00 0.00 C 0
36HETATM 35 C 0non 01 8.227 13.315 21.919 0.00 0.00 C 0
37HETATM 36 C 0non 01 8.189 12.214 20.888 0.00 0.00 C 0
38HETATM 37 C 0non 01 9.157 12.655 19.802 0.00 0.00 C 0
39HETATM 38 C 0non 01 10.535 12.563 20.455 0.00 0.00 C 0
40HETATM 39 C 0non 01 11.657 12.832 19.463 0.00 0.00 C 0
41HETATM 40 O 0non 01 10.649 13.548 21.480 0.00 0.00 O 0
42HETATM 41 C 0non 01 6.604 11.200 46.439 0.00 0.00 C 0
43HETATM 42 O 0non 01 7.265 12.979 22.917 0.00 0.00 O 0
44HETATM 43 O 0non 01 6.842 12.077 20.441 0.00 0.00 O 0
45HETATM 44 O 0non 01 9.021 11.838 18.649 0.00 0.00 O 0
46HETATM 45 O 0non 01 12.893 12.838 20.180 0.00 0.00 O 0
47HETATM 46 C 0non 01 5.997 10.374 45.331 0.00 0.00 C 0
48HETATM 47 C 0non 01 6.851 10.338 44.082 0.00 0.00 C 0
49HETATM 48 C 0non 01 7.177 11.770 43.685 0.00 0.00 C 0
50HETATM 49 C 0non 01 8.776 13.323 27.445 0.00 0.00 C 0
51HETATM 50 C 0non 01 8.131 12.224 26.618 0.00 0.00 C 0
52HETATM 51 C 0non 01 8.977 11.699 25.477 0.00 0.00 C 0
53HETATM 52 C 0non 01 9.480 12.937 24.755 0.00 0.00 C 0
54HETATM 53 C 0non 01 10.447 13.598 25.729 0.00 0.00 C 0
55HETATM 54 C 0non 01 11.301 14.706 25.136 0.00 0.00 C 0
56HETATM 55 O 0non 01 9.671 14.198 26.760 0.00 0.00 O 0
57HETATM 56 O 0non 01 7.703 11.133 27.433 0.00 0.00 O 0
58HETATM 57 O 0non 01 8.158 10.896 24.623 0.00 0.00 O 0
59HETATM 58 O 0non 01 10.009 12.601 23.477 0.00 0.00 O 0
60HETATM 59 O 0non 01 12.114 15.247 26.180 0.00 0.00 O 0
61HETATM 60 C 0non 01 8.835 14.242 32.495 0.00 0.00 C 0
62HETATM 61 C 0non 01 7.660 13.909 31.604 0.00 0.00 C 0
63HETATM 62 C 0non 01 8.035 12.956 30.494 0.00 0.00 C 0
64HETATM 63 C 0non 01 9.196 13.592 29.745 0.00 0.00 C 0
65HETATM 64 C 0non 01 10.356 13.649 30.733 0.00 0.00 C 0
66HETATM 65 C 0non 01 11.635 14.166 30.094 0.00 0.00 C 0
67HETATM 66 O 0non 01 10.030 14.555 31.781 0.00 0.00 O 0
68HETATM 67 O 0non 01 6.599 13.317 32.354 0.00 0.00 O 0
69HETATM 68 O 0non 01 6.889 12.764 29.668 0.00 0.00 O 0
70HETATM 69 O 0non 01 9.498 12.841 28.577 0.00 0.00 O 0
71HETATM 70 O 0non 01 12.621 14.301 31.120 0.00 0.00 O 0
72HETATM 71 C 0non 01 8.481 12.886 37.504 0.00 0.00 C 0
73HETATM 72 C 0non 01 7.630 12.076 36.560 0.00 0.00 C 0
74HETATM 73 C 0non 01 8.257 11.932 35.191 0.00 0.00 C 0
75HETATM 74 C 0non 01 8.603 13.322 34.677 0.00 0.00 C 0
76HETATM 75 C 0non 01 9.569 13.962 35.667 0.00 0.00 C 0
77HETATM 76 C 0non 01 10.046 15.355 35.284 0.00 0.00 C 0
78HETATM 77 O 0non 01 8.935 14.105 36.933 0.00 0.00 O 0
79HETATM 78 O 0non 01 7.380 10.788 37.126 0.00 0.00 O 0
80HETATM 79 O 0non 01 7.302 11.321 34.321 0.00 0.00 O 0
81HETATM 80 O 0non 01 9.168 13.178 33.379 0.00 0.00 O 0
82HETATM 81 O 0non 01 10.849 15.866 36.350 0.00 0.00 O 0
83HETATM 82 C 0non 01 7.729 12.815 41.619 0.00 0.00 C 0
84HETATM 83 C 0non 01 6.914 12.408 40.404 0.00 0.00 C 0
85HETATM 84 C 0non 01 7.732 11.756 39.311 0.00 0.00 C 0
86HETATM 85 C 0non 01 8.919 12.665 39.046 0.00 0.00 C 0
87HETATM 86 C 0non 01 9.740 12.658 40.330 0.00 0.00 C 0
88HETATM 87 C 0non 01 11.080 13.362 40.195 0.00 0.00 C 0
89HETATM 88 O 0non 01 9.008 13.364 41.320 0.00 0.00 O 0
90HETATM 89 O 0non 01 5.865 11.514 40.782 0.00 0.00 O 0
91HETATM 90 O 0non 01 6.924 11.605 38.143 0.00 0.00 O 0
92HETATM 91 O 0non 01 9.645 12.183 37.927 0.00 0.00 O 0
93HETATM 92 O 0non 01 11.709 13.368 41.478 0.00 0.00 O 0
94HETATM 93 C 0non 01 7.905 12.425 44.856 0.00 0.00 C 0
95HETATM 94 C 0non 01 8.355 13.856 44.613 0.00 0.00 C 0
96HETATM 95 O 0non 01 7.046 12.472 45.990 0.00 0.00 O 0
97HETATM 96 C 0non 01 11.986 8.070 54.402 0.00 0.00 C 0
98HETATM 97 O 0non 01 5.752 9.046 45.794 0.00 0.00 O 0
99HETATM 98 O 0non 01 6.102 9.719 43.033 0.00 0.00 O 0
100HETATM 99 O 0non 01 7.968 11.724 42.503 0.00 0.00 O 0
101HETATM 100 O 0non 01 8.921 14.363 45.824 0.00 0.00 O 0
102HETATM 101 C 0non 01 10.539 8.382 54.683 0.00 0.00 C 0
103HETATM 102 C 0non 01 9.702 8.304 53.425 0.00 0.00 C 0
104HETATM 103 C 0non 01 10.316 9.250 52.405 0.00 0.00 C 0
105HETATM 104 C 0non 01 8.585 10.279 51.143 0.00 0.00 C 0
106HETATM 105 C 0non 01 7.242 9.821 50.619 0.00 0.00 C 0
107HETATM 106 C 0non 01 7.258 9.530 49.136 0.00 0.00 C 0
108HETATM 107 C 0non 01 7.799 10.771 48.440 0.00 0.00 C 0
109HETATM 108 C 0non 01 9.227 10.962 48.941 0.00 0.00 C 0
110HETATM 109 C 0non 01 9.954 12.108 48.256 0.00 0.00 C 0
111HETATM 110 O 0non 01 9.195 11.276 50.331 0.00 0.00 O 0
112HETATM 111 O 0non 01 6.804 8.662 51.331 0.00 0.00 O 0
113HETATM 112 O 0non 01 5.931 9.240 48.697 0.00 0.00 O 0
114HETATM 113 O 0non 01 7.739 10.577 47.036 0.00 0.00 O 0
115HETATM 114 O 0non 01 11.227 12.262 48.887 0.00 0.00 O 0
116HETATM 115 C 0non 01 11.741 8.785 52.129 0.00 0.00 C 0
117HETATM 116 C 0non 01 12.450 9.683 51.123 0.00 0.00 C 0
118HETATM 117 O 0non 01 12.522 8.819 53.322 0.00 0.00 O 0
119HETATM 118 O 0non 01 12.203 6.721 53.989 0.00 0.00 O 0
120HETATM 119 O 0non 01 10.004 7.482 55.654 0.00 0.00 O 0
121HETATM 120 O 0non 01 8.361 8.681 53.737 0.00 0.00 O 0
122HETATM 121 O 0non 01 9.534 9.220 51.219 0.00 0.00 O 0
123HETATM 122 O 0non 01 13.822 9.288 51.060 0.00 0.00 O 0
124HETATM 123 H 0non 01 7.400 9.665 8.212 0.00 0.00 H 0
125HETATM 124 H 0non 01 7.331 7.613 6.958 0.00 0.00 H 0
126HETATM 125 H 0non 01 9.765 6.668 8.624 0.00 0.00 H 0
127HETATM 126 H 0non 01 9.508 7.433 5.624 0.00 0.00 H 0
128HETATM 127 H 0non 01 10.999 8.828 7.953 0.00 0.00 H 0
129HETATM 128 H 0non 01 12.172 9.132 5.773 0.00 0.00 H 0
130HETATM 129 H 0non 01 10.612 9.647 5.000 0.00 0.00 H 0
131HETATM 130 H 0non 01 7.052 6.161 8.727 0.00 0.00 H 0
132HETATM 131 H 0non 01 9.590 5.000 7.094 0.00 0.00 H 0
133HETATM 132 H 0non 01 11.637 6.891 5.639 0.00 0.00 H 0
134HETATM 133 H 0non 01 10.548 11.251 6.696 0.00 0.00 H 0
135HETATM 134 H 0non 01 7.936 12.795 12.923 0.00 0.00 H 0
136HETATM 135 H 0non 01 6.596 11.812 11.239 0.00 0.00 H 0
137HETATM 136 H 0non 01 7.808 9.043 11.889 0.00 0.00 H 0
138HETATM 137 H 0non 01 8.320 11.097 9.586 0.00 0.00 H 0
139HETATM 138 H 0non 01 10.040 9.947 11.879 0.00 0.00 H 0
140HETATM 139 H 0non 01 11.467 10.212 9.849 0.00 0.00 H 0
141HETATM 140 H 0non 01 10.763 11.859 9.554 0.00 0.00 H 0
142HETATM 141 H 0non 01 5.353 10.328 12.386 0.00 0.00 H 0
143HETATM 142 H 0non 01 6.579 8.496 10.137 0.00 0.00 H 0
144HETATM 143 H 0non 01 11.497 12.311 11.733 0.00 0.00 H 0
145HETATM 144 H 0non 01 7.318 13.020 18.318 0.00 0.00 H 0
146HETATM 145 H 0non 01 6.175 11.692 16.857 0.00 0.00 H 0
147HETATM 146 H 0non 01 8.629 9.897 16.303 0.00 0.00 H 0
148HETATM 147 H 0non 01 7.275 12.242 14.827 0.00 0.00 H 0
149HETATM 148 H 0non 01 10.050 11.784 16.141 0.00 0.00 H 0
150HETATM 149 H 0non 01 10.518 13.044 14.043 0.00 0.00 H 0
151HETATM 150 H 0non 01 9.166 14.200 14.433 0.00 0.00 H 0
152HETATM 151 H 0non 01 6.317 9.595 17.747 0.00 0.00 H 0
153HETATM 152 H 0non 01 6.945 9.653 14.488 0.00 0.00 H 0
154HETATM 153 H 0non 01 10.311 14.504 16.445 0.00 0.00 H 0
155HETATM 154 H 0non 01 9.671 14.564 22.914 0.00 0.00 H 0
156HETATM 155 H 0non 01 7.864 14.264 21.454 0.00 0.00 H 0
157HETATM 156 H 0non 01 8.472 11.229 21.325 0.00 0.00 H 0
158HETATM 157 H 0non 01 9.020 13.720 19.501 0.00 0.00 H 0
159HETATM 158 H 0non 01 10.703 11.558 20.911 0.00 0.00 H 0
160HETATM 159 H 0non 01 11.723 12.045 18.679 0.00 0.00 H 0
161HETATM 160 H 0non 01 11.536 13.825 18.976 0.00 0.00 H 0
162HETATM 161 H 0non 01 5.801 11.373 47.192 0.00 0.00 H 0
163HETATM 162 H 0non 01 6.468 12.774 22.457 0.00 0.00 H 0
164HETATM 163 H 0non 01 6.808 11.338 19.857 0.00 0.00 H 0
165HETATM 164 H 0non 01 12.763 13.406 20.922 0.00 0.00 H 0
166HETATM 165 H 0non 01 5.000 10.808 45.071 0.00 0.00 H 0
167HETATM 166 H 0non 01 7.781 9.746 44.239 0.00 0.00 H 0
168HETATM 167 H 0non 01 6.208 12.285 43.486 0.00 0.00 H 0
169HETATM 168 H 0non 01 7.933 13.974 27.776 0.00 0.00 H 0
170HETATM 169 H 0non 01 7.193 12.639 26.168 0.00 0.00 H 0
171HETATM 170 H 0non 01 9.810 11.056 25.839 0.00 0.00 H 0
172HETATM 171 H 0non 01 8.632 13.645 24.621 0.00 0.00 H 0
173HETATM 172 H 0non 01 11.136 12.852 26.191 0.00 0.00 H 0
174HETATM 173 H 0non 01 11.978 14.330 24.337 0.00 0.00 H 0
175HETATM 174 H 0non 01 10.672 15.534 24.739 0.00 0.00 H 0
176HETATM 175 H 0non 01 7.378 10.477 26.840 0.00 0.00 H 0
177HETATM 176 H 0non 01 8.214 11.263 23.757 0.00 0.00 H 0
178HETATM 177 H 0non 01 11.535 15.418 26.905 0.00 0.00 H 0
179HETATM 178 H 0non 01 8.594 15.161 33.075 0.00 0.00 H 0
180HETATM 179 H 0non 01 7.253 14.848 31.160 0.00 0.00 H 0
181HETATM 180 H 0non 01 8.313 11.952 30.892 0.00 0.00 H 0
182HETATM 181 H 0non 01 8.987 14.652 29.464 0.00 0.00 H 0
183HETATM 182 H 0non 01 10.560 12.644 31.174 0.00 0.00 H 0
184HETATM 183 H 0non 01 12.037 13.467 29.327 0.00 0.00 H 0
185HETATM 184 H 0non 01 11.482 15.168 29.633 0.00 0.00 H 0
186HETATM 185 H 0non 01 5.920 13.114 31.734 0.00 0.00 H 0
187HETATM 186 H 0non 01 7.086 12.059 29.076 0.00 0.00 H 0
188HETATM 187 H 0non 01 12.207 14.773 31.825 0.00 0.00 H 0
189HETATM 188 H 0non 01 7.838 13.152 38.374 0.00 0.00 H 0
190HETATM 189 H 0non 01 6.636 12.575 36.454 0.00 0.00 H 0
191HETATM 190 H 0non 01 9.162 11.284 35.223 0.00 0.00 H 0
192HETATM 191 H 0non 01 7.659 13.912 34.626 0.00 0.00 H 0
193HETATM 192 H 0non 01 10.472 13.318 35.777 0.00 0.00 H 0
194HETATM 193 H 0non 01 10.678 15.348 34.368 0.00 0.00 H 0
195HETATM 194 H 0non 01 9.186 16.051 35.151 0.00 0.00 H 0
196HETATM 195 H 0non 01 6.858 10.320 36.497 0.00 0.00 H 0
197HETATM 196 H 0non 01 7.473 11.639 33.449 0.00 0.00 H 0
198HETATM 197 H 0non 01 10.350 15.733 37.139 0.00 0.00 H 0
199HETATM 198 H 0non 01 7.186 13.630 42.149 0.00 0.00 H 0
200HETATM 199 H 0non 01 6.421 13.317 39.982 0.00 0.00 H 0
201HETATM 200 H 0non 01 8.063 10.734 39.605 0.00 0.00 H 0
202HETATM 201 H 0non 01 8.608 13.721 38.866 0.00 0.00 H 0
203HETATM 202 H 0non 01 9.929 11.619 40.686 0.00 0.00 H 0
204HETATM 203 H 0non 01 11.764 12.836 39.492 0.00 0.00 H 0
205HETATM 204 H 0non 01 10.948 14.418 39.870 0.00 0.00 H 0
206HETATM 205 H 0non 01 5.375 11.329 39.998 0.00 0.00 H 0
207HETATM 206 H 0non 01 7.434 11.139 37.498 0.00 0.00 H 0
208HETATM 207 H 0non 01 11.071 13.708 42.084 0.00 0.00 H 0
209HETATM 208 H 0non 01 8.815 11.831 45.105 0.00 0.00 H 0
210HETATM 209 H 0non 01 9.145 13.924 43.834 0.00 0.00 H 0
211HETATM 210 H 0non 01 7.496 14.512 44.343 0.00 0.00 H 0
212HETATM 211 H 0non 01 12.626 8.256 55.297 0.00 0.00 H 0
213HETATM 212 H 0non 01 5.405 8.568 45.059 0.00 0.00 H 0
214HETATM 213 H 0non 01 6.452 10.030 42.214 0.00 0.00 H 0
215HETATM 214 H 0non 01 8.304 14.155 46.507 0.00 0.00 H 0
216HETATM 215 H 0non 01 10.461 9.407 55.117 0.00 0.00 H 0
217HETATM 216 H 0non 01 9.661 7.262 53.032 0.00 0.00 H 0
218HETATM 217 H 0non 01 10.388 10.290 52.800 0.00 0.00 H 0
219HETATM 218 H 0non 01 8.412 10.733 52.145 0.00 0.00 H 0
220HETATM 219 H 0non 01 6.483 10.617 50.816 0.00 0.00 H 0
221HETATM 220 H 0non 01 7.880 8.636 48.907 0.00 0.00 H 0
222HETATM 221 H 0non 01 7.236 11.690 48.726 0.00 0.00 H 0
223HETATM 222 H 0non 01 9.825 10.035 48.784 0.00 0.00 H 0
224HETATM 223 H 0non 01 10.136 11.906 47.178 0.00 0.00 H 0
225HETATM 224 H 0non 01 9.396 13.064 48.366 0.00 0.00 H 0
226HETATM 225 H 0non 01 6.019 8.369 50.899 0.00 0.00 H 0
227HETATM 226 H 0non 01 5.976 8.987 47.788 0.00 0.00 H 0
228HETATM 227 H 0non 01 11.056 12.290 49.816 0.00 0.00 H 0
229HETATM 228 H 0non 01 11.739 7.746 51.726 0.00 0.00 H 0
230HETATM 229 H 0non 01 12.022 9.588 50.100 0.00 0.00 H 0
231HETATM 230 H 0non 01 12.419 10.750 51.437 0.00 0.00 H 0
232HETATM 231 H 0non 01 13.043 6.719 53.561 0.00 0.00 H 0
233HETATM 232 H 0non 01 9.078 7.658 55.684 0.00 0.00 H 0
234HETATM 233 H 0non 01 7.824 8.452 52.996 0.00 0.00 H 0
235HETATM 234 H 0non 01 14.137 9.321 51.949 0.00 0.00 H 0
236CONECT 1 7 21 123 2
237CONECT 2 1 8 3 124
238CONECT 3 2 4 9 125
239CONECT 4 3 5 10 126
240CONECT 5 4 6 127 7
241CONECT 6 5 11 128 129
242CONECT 7 1 5
243CONECT 8 2 130
244CONECT 9 3 131
245CONECT 10 4 132
246CONECT 11 6 133
247CONECT 12 32 18 134 13
248CONECT 13 12 14 19 135
249CONECT 14 13 15 20 136
250CONECT 15 14 16 21 137
251CONECT 16 15 17 18 138
252CONECT 17 16 22 139 140
253CONECT 18 12 16
254CONECT 19 13 141
255CONECT 20 14 142
256CONECT 21 1 15
257CONECT 22 17 143
258CONECT 23 24 44 144 29
259CONECT 24 23 25 145 30
260CONECT 25 24 146 26 31
261CONECT 26 25 27 32 147
262CONECT 27 26 28 29 148
263CONECT 28 27 33 149 150
264CONECT 29 23 27
265CONECT 30 24 151
266CONECT 31 25 152
267CONECT 32 12 26
268CONECT 33 28 153
269CONECT 34 58 35 40 154
270CONECT 35 34 36 42 155
271CONECT 36 35 37 43 156
272CONECT 37 36 38 44 157
273CONECT 38 37 39 40 158
274CONECT 39 38 45 159 160
275CONECT 40 34 38
276CONECT 41 46 113 95 161
277CONECT 42 35 162
278CONECT 43 36 163
279CONECT 44 23 37
280CONECT 45 39 164
281CONECT 46 41 47 97 165
282CONECT 47 46 48 98 166
283CONECT 48 47 93 99 167
284CONECT 49 50 69 168 55
285CONECT 50 49 169 51 56
286CONECT 51 50 52 57 170
287CONECT 52 51 53 58 171
288CONECT 53 52 54 55 172
289CONECT 54 53 59 173 174
290CONECT 55 49 53
291CONECT 56 50 175
292CONECT 57 51 176
293CONECT 58 34 52
294CONECT 59 54 177
295CONECT 60 61 66 80 178
296CONECT 61 60 62 67 179
297CONECT 62 61 63 68 180
298CONECT 63 62 64 69 181
299CONECT 64 63 65 66 182
300CONECT 65 64 70 183 184
301CONECT 66 60 64
302CONECT 67 61 185
303CONECT 68 62 186
304CONECT 69 49 63
305CONECT 70 65 187
306CONECT 71 72 77 91 188
307CONECT 72 71 73 78 189
308CONECT 73 72 74 79 190
309CONECT 74 73 75 80 191
310CONECT 75 74 76 77 192
311CONECT 76 75 81 193 194
312CONECT 77 71 75
313CONECT 78 72 195
314CONECT 79 73 196
315CONECT 80 60 74
316CONECT 81 76 197
317CONECT 82 83 88 99 198
318CONECT 83 82 84 89 199
319CONECT 84 83 85 90 200
320CONECT 85 84 86 91 201
321CONECT 86 85 87 88 202
322CONECT 87 86 92 203 204
323CONECT 88 82 86
324CONECT 89 83 205
325CONECT 90 84 206
326CONECT 91 71 85
327CONECT 92 87 207
328CONECT 93 48 94 95 208
329CONECT 94 93 209 210 100
330CONECT 95 41 93
331CONECT 96 211 101 117 118
332CONECT 97 46 212
333CONECT 98 47 213
334CONECT 99 48 82
335CONECT 100 94 214
336CONECT 101 96 102 119 215
337CONECT 102 101 103 120 216
338CONECT 103 102 115 121 217
339CONECT 104 105 110 121 218
340CONECT 105 104 106 111 219
341CONECT 106 105 107 112 220
342CONECT 107 106 108 113 221
343CONECT 108 107 109 110 222
344CONECT 109 108 114 223 224
345CONECT 110 104 108
346CONECT 111 105 225
347CONECT 112 106 226
348CONECT 113 41 107
349CONECT 114 109 227
350CONECT 115 103 116 117 228
351CONECT 116 115 122 229 230
352CONECT 117 96 115
353CONECT 118 96 231
354CONECT 119 101 232
355CONECT 120 102 233
356CONECT 121 103 104
357CONECT 122 116 234
358CONECT 123 1
359CONECT 124 2
360CONECT 125 3
361CONECT 126 4
362CONECT 127 5
363CONECT 128 6
364CONECT 129 6
365CONECT 130 8
366CONECT 131 9
367CONECT 132 10
368CONECT 133 11
369CONECT 134 12
370CONECT 135 13
371CONECT 136 14
372CONECT 137 15
373CONECT 138 16
374CONECT 139 17
375CONECT 140 17
376CONECT 141 19
377CONECT 142 20
378CONECT 143 22
379CONECT 144 23
380CONECT 145 24
381CONECT 146 25
382CONECT 147 26
383CONECT 148 27
384CONECT 149 28
385CONECT 150 28
386CONECT 151 30
387CONECT 152 31
388CONECT 153 33
389CONECT 154 34
390CONECT 155 35
391CONECT 156 36
392CONECT 157 37
393CONECT 158 38
394CONECT 159 39
395CONECT 160 39
396CONECT 161 41
397CONECT 162 42
398CONECT 163 43
399CONECT 164 45
400CONECT 165 46
401CONECT 166 47
402CONECT 167 48
403CONECT 168 49
404CONECT 169 50
405CONECT 170 51
406CONECT 171 52
407CONECT 172 53
408CONECT 173 54
409CONECT 174 54
410CONECT 175 56
411CONECT 176 57
412CONECT 177 59
413CONECT 178 60
414CONECT 179 61
415CONECT 180 62
416CONECT 181 63
417CONECT 182 64
418CONECT 183 65
419CONECT 184 65
420CONECT 185 67
421CONECT 186 68
422CONECT 187 70
423CONECT 188 71
424CONECT 189 72
425CONECT 190 73
426CONECT 191 74
427CONECT 192 75
428CONECT 193 76
429CONECT 194 76
430CONECT 195 78
431CONECT 196 79
432CONECT 197 81
433CONECT 198 82
434CONECT 199 83
435CONECT 200 84
436CONECT 201 85
437CONECT 202 86
438CONECT 203 87
439CONECT 204 87
440CONECT 205 89
441CONECT 206 90
442CONECT 207 92
443CONECT 208 93
444CONECT 209 94
445CONECT 210 94
446CONECT 211 96
447CONECT 212 97
448CONECT 213 98
449CONECT 214 100
450CONECT 215 101
451CONECT 216 102
452CONECT 217 103
453CONECT 218 104
454CONECT 219 105
455CONECT 220 106
456CONECT 221 107
457CONECT 222 108
458CONECT 223 109
459CONECT 224 109
460CONECT 225 111
461CONECT 226 112
462CONECT 227 114
463CONECT 228 115
464CONECT 229 116
465CONECT 230 116
466CONECT 231 118
467CONECT 232 119
468CONECT 233 120
469CONECT 234 122
470END
Note: See TracBrowser for help on using the repository browser.