Index: tests/regression/Potential/FitPotential/pre/angle_common.pdb
===================================================================
--- tests/regression/Potential/FitPotential/pre/angle_common.pdb	(revision e47ac71b3e565b9051aaee9368699525a439737e)
+++ tests/regression/Potential/FitPotential/pre/angle_common.pdb	(revision e47ac71b3e565b9051aaee9368699525a439737e)
@@ -0,0 +1,88 @@
+REMARK created by molecuilder on Fri Oct 21 00:47:52 2016, time step 0
+ATOM      1 O01 0non 01         10.000  10.000  10.383  0.00  0.00           O 0
+ATOM      2 H01 0non 01         10.609  10.000   9.657  0.00  0.00           H 0
+ATOM      3 H02 0non 01          9.391  10.000   9.657  0.00  0.00           H 0
+CONECT    1    2    3                                                           
+CONECT    2    1                                                                
+CONECT    3    1                                                                
+END
+REMARK created by molecuilder on Fri Oct 21 00:47:52 2016, time step 0
+ATOM      1 O01 0non 01         10.000  10.000  10.383  0.00  0.00           O 0
+ATOM      2 H01 0non 01         10.640  10.000   9.684  0.00  0.00           H 0
+ATOM      3 H02 0non 01          9.360  10.000   9.684  0.00  0.00           H 0
+CONECT    1    2    3                                                           
+CONECT    2    1                                                                
+CONECT    3    1                                                                
+END
+REMARK created by molecuilder on Fri Oct 21 00:47:52 2016, time step 0
+ATOM      1 O01 0non 01         10.000  10.000  10.383  0.00  0.00           O 0
+ATOM      2 H01 0non 01         10.670  10.000   9.713  0.00  0.00           H 0
+ATOM      3 H02 0non 01          9.330  10.000   9.713  0.00  0.00           H 0
+CONECT    1    2    3                                                           
+CONECT    2    1                                                                
+CONECT    3    1                                                                
+END
+REMARK created by molecuilder on Fri Oct 21 00:47:52 2016, time step 0
+ATOM      1 O01 0non 01         10.000  10.000  10.383  0.00  0.00           O 0
+ATOM      2 H01 0non 01         10.699  10.000   9.743  0.00  0.00           H 0
+ATOM      3 H02 0non 01          9.301  10.000   9.743  0.00  0.00           H 0
+CONECT    1    2    3                                                           
+CONECT    2    1                                                                
+CONECT    3    1                                                                
+END
+REMARK created by molecuilder on Fri Oct 21 00:47:52 2016, time step 0
+ATOM      1 O01 0non 01         10.000  10.000  10.383  0.00  0.00           O 0
+ATOM      2 H01 0non 01         10.726  10.000   9.774  0.00  0.00           H 0
+ATOM      3 H02 0non 01          9.274  10.000   9.774  0.00  0.00           H 0
+CONECT    1    2    3                                                           
+CONECT    2    1                                                                
+CONECT    3    1                                                                
+END
+REMARK created by molecuilder on Fri Oct 21 00:47:52 2016, time step 0
+ATOM      1 O01 0non 01         10.000  10.000  10.383  0.00  0.00           O 0
+ATOM      2 H01 0non 01         10.752  10.000   9.806  0.00  0.00           H 0
+ATOM      3 H02 0non 01          9.248  10.000   9.806  0.00  0.00           H 0
+CONECT    1    2    3                                                           
+CONECT    2    1                                                                
+CONECT    3    1                                                                
+END
+REMARK created by molecuilder on Fri Oct 21 00:47:53 2016, time step 0
+ATOM      1 O01 0non 01         10.000  10.000  10.383  0.00  0.00           O 0
+ATOM      2 H01 0non 01         10.776  10.000   9.839  0.00  0.00           H 0
+ATOM      3 H02 0non 01          9.224  10.000   9.839  0.00  0.00           H 0
+CONECT    1    2    3                                                           
+CONECT    2    1                                                                
+CONECT    3    1                                                                
+END
+REMARK created by molecuilder on Fri Oct 21 00:47:53 2016, time step 0
+ATOM      1 O01 0non 01         10.000  10.000  10.383  0.00  0.00           O 0
+ATOM      2 H01 0non 01         10.799  10.000   9.874  0.00  0.00           H 0
+ATOM      3 H02 0non 01          9.201  10.000   9.874  0.00  0.00           H 0
+CONECT    1    2    3                                                           
+CONECT    2    1                                                                
+CONECT    3    1                                                                
+END
+REMARK created by molecuilder on Fri Oct 21 00:47:53 2016, time step 0
+ATOM      1 O01 0non 01         10.000  10.000  10.383  0.00  0.00           O 0
+ATOM      2 H01 0non 01         10.821  10.000   9.909  0.00  0.00           H 0
+ATOM      3 H02 0non 01          9.179  10.000   9.909  0.00  0.00           H 0
+CONECT    1    2    3                                                           
+CONECT    2    1                                                                
+CONECT    3    1                                                                
+END
+REMARK created by molecuilder on Fri Oct 21 00:47:53 2016, time step 0
+ATOM      1 O01 0non 01         10.000  10.000  10.383  0.00  0.00           O 0
+ATOM      2 H01 0non 01         10.841  10.000   9.945  0.00  0.00           H 0
+ATOM      3 H02 0non 01          9.159  10.000   9.945  0.00  0.00           H 0
+CONECT    1    2    3                                                           
+CONECT    2    1                                                                
+CONECT    3    1                                                                
+END
+REMARK created by molecuilder on Fri Oct 21 00:47:53 2016, time step 0
+ATOM      1 O01 0non 01         10.000  10.000  10.383  0.00  0.00           O 0
+ATOM      2 H01 0non 01         10.859  10.000   9.983  0.00  0.00           H 0
+ATOM      3 H02 0non 01          9.141  10.000   9.983  0.00  0.00           H 0
+CONECT    1    2    3                                                           
+CONECT    2    1                                                                
+CONECT    3    1                                                                
+END
Index: tests/regression/Potential/FitPotential/pre/angle_homology.dat
===================================================================
--- tests/regression/Potential/FitPotential/pre/angle_homology.dat	(revision f5724f5e9fef76b193afb7727d363143bd251f59)
+++ tests/regression/Potential/FitPotential/pre/angle_homology.dat	(revision e47ac71b3e565b9051aaee9368699525a439737e)
@@ -1,46 +1,2 @@
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Index: tests/regression/Potential/FitPotential/pre/harmonic_homology.dat
===================================================================
--- tests/regression/Potential/FitPotential/pre/harmonic_homology.dat	(revision f5724f5e9fef76b193afb7727d363143bd251f59)
+++ 	(revision )
@@ -1,57 +1,0 @@
-22 serialization::archive 9 1 0
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Index: tests/regression/Potential/FitPotential/pre/improper_common.pdb
===================================================================
--- tests/regression/Potential/FitPotential/pre/improper_common.pdb	(revision e47ac71b3e565b9051aaee9368699525a439737e)
+++ tests/regression/Potential/FitPotential/pre/improper_common.pdb	(revision e47ac71b3e565b9051aaee9368699525a439737e)
@@ -0,0 +1,210 @@
+REMARK created by molecuilder on Thu Oct 20 23:56:44 2016, time step 0
+ATOM      1 H01 0non 01          5.814   6.410   5.000  0.00  0.00           H 0
+ATOM      2 H02 0non 01          6.628   5.000   5.000  0.00  0.00           H 0
+ATOM      3 N01 0non 01          5.814   5.470   5.388  0.00  0.00           N 0
+ATOM      4 H03 0non 01          5.000   5.000   5.000  0.00  0.00           H 0
+CONECT    1    3                                                                
+CONECT    2    3                                                                
+CONECT    3    1    2    4                                                      
+CONECT    4    3                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:56:45 2016, time step 0
+ATOM      1 H01 0non 01          5.814   6.410   5.000  0.00  0.00           H 0
+ATOM      2 H02 0non 01          6.628   5.000   5.000  0.00  0.00           H 0
+ATOM      3 N01 0non 01          5.814   5.470   5.388  0.00  0.00           N 0
+ATOM      4 H03 0non 01          5.000   5.000   5.000  0.00  0.00           H 0
+CONECT    1    3                                                                
+CONECT    2    3                                                                
+CONECT    3    1    2    4                                                      
+CONECT    4    3                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:56:43 2016, time step 0
+ATOM      1 H01 0non 01          5.814   6.410   5.000  0.00  0.00           H 0
+ATOM      2 H02 0non 01          6.628   5.000   5.000  0.00  0.00           H 0
+ATOM      3 N01 0non 01          5.814   5.470   5.388  0.00  0.00           N 0
+ATOM      4 H03 0non 01          5.000   5.000   5.000  0.00  0.00           H 0
+CONECT    1    3                                                                
+CONECT    2    3                                                                
+CONECT    3    1    2    4                                                      
+CONECT    4    3                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:56:44 2016, time step 0
+ATOM      1 H01 0non 01          5.814   6.410   5.000  0.00  0.00           H 0
+ATOM      2 H02 0non 01          6.628   5.000   5.000  0.00  0.00           H 0
+ATOM      3 N01 0non 01          5.814   5.470   5.388  0.00  0.00           N 0
+ATOM      4 H03 0non 01          5.000   5.000   5.000  0.00  0.00           H 0
+CONECT    1    3                                                                
+CONECT    2    3                                                                
+CONECT    3    1    2    4                                                      
+CONECT    4    3                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:56:45 2016, time step 0
+ATOM      1 H01 0non 01          5.814   6.410   5.000  0.00  0.00           H 0
+ATOM      2 H02 0non 01          6.628   5.000   5.000  0.00  0.00           H 0
+ATOM      3 N01 0non 01          5.814   5.470   5.388  0.00  0.00           N 0
+ATOM      4 H03 0non 01          5.000   5.000   5.000  0.00  0.00           H 0
+CONECT    1    3                                                                
+CONECT    2    3                                                                
+CONECT    3    1    2    4                                                      
+CONECT    4    3                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:56:42 2016, time step 0
+ATOM      1 H01 0non 01          5.814   6.410   5.000  0.00  0.00           H 0
+ATOM      2 H02 0non 01          6.628   5.000   5.000  0.00  0.00           H 0
+ATOM      3 N01 0non 01          5.814   5.470   5.388  0.00  0.00           N 0
+ATOM      4 H03 0non 01          5.000   5.000   5.000  0.00  0.00           H 0
+CONECT    1    3                                                                
+CONECT    2    3                                                                
+CONECT    3    1    2    4                                                      
+CONECT    4    3                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:56:43 2016, time step 0
+ATOM      1 H01 0non 01          5.814   6.410   5.000  0.00  0.00           H 0
+ATOM      2 H02 0non 01          6.628   5.000   5.000  0.00  0.00           H 0
+ATOM      3 N01 0non 01          5.814   5.470   5.388  0.00  0.00           N 0
+ATOM      4 H03 0non 01          5.000   5.000   5.000  0.00  0.00           H 0
+CONECT    1    3                                                                
+CONECT    2    3                                                                
+CONECT    3    1    2    4                                                      
+CONECT    4    3                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:56:45 2016, time step 0
+ATOM      1 H01 0non 01          5.814   6.410   5.000  0.00  0.00           H 0
+ATOM      2 H02 0non 01          6.628   5.000   5.000  0.00  0.00           H 0
+ATOM      3 N01 0non 01          5.814   5.470   5.388  0.00  0.00           N 0
+ATOM      4 H03 0non 01          5.000   5.000   5.000  0.00  0.00           H 0
+CONECT    1    3                                                                
+CONECT    2    3                                                                
+CONECT    3    1    2    4                                                      
+CONECT    4    3                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:56:44 2016, time step 0
+ATOM      1 H01 0non 01          5.814   6.410   5.000  0.00  0.00           H 0
+ATOM      2 H02 0non 01          6.628   5.000   5.000  0.00  0.00           H 0
+ATOM      3 N01 0non 01          5.814   5.470   5.388  0.00  0.00           N 0
+ATOM      4 H03 0non 01          5.000   5.000   5.000  0.00  0.00           H 0
+CONECT    1    3                                                                
+CONECT    2    3                                                                
+CONECT    3    1    2    4                                                      
+CONECT    4    3                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:56:45 2016, time step 0
+ATOM      1 H01 0non 01          5.814   6.410   5.000  0.00  0.00           H 0
+ATOM      2 H02 0non 01          6.628   5.000   5.000  0.00  0.00           H 0
+ATOM      3 N01 0non 01          5.814   5.470   5.388  0.00  0.00           N 0
+ATOM      4 H03 0non 01          5.000   5.000   5.000  0.00  0.00           H 0
+CONECT    1    3                                                                
+CONECT    2    3                                                                
+CONECT    3    1    2    4                                                      
+CONECT    4    3                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:56:43 2016, time step 0
+ATOM      1 H01 0non 01          5.814   6.410   5.000  0.00  0.00           H 0
+ATOM      2 H02 0non 01          6.628   5.000   5.000  0.00  0.00           H 0
+ATOM      3 N01 0non 01          5.814   5.470   5.388  0.00  0.00           N 0
+ATOM      4 H03 0non 01          5.000   5.000   5.000  0.00  0.00           H 0
+CONECT    1    3                                                                
+CONECT    2    3                                                                
+CONECT    3    1    2    4                                                      
+CONECT    4    3                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:56:43 2016, time step 0
+ATOM      1 H01 0non 01          5.814   6.410   5.000  0.00  0.00           H 0
+ATOM      2 H02 0non 01          6.628   5.000   5.000  0.00  0.00           H 0
+ATOM      3 N01 0non 01          5.814   5.470   5.388  0.00  0.00           N 0
+ATOM      4 H03 0non 01          5.000   5.000   5.000  0.00  0.00           H 0
+CONECT    1    3                                                                
+CONECT    2    3                                                                
+CONECT    3    1    2    4                                                      
+CONECT    4    3                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:56:44 2016, time step 0
+ATOM      1 H01 0non 01          5.814   6.410   5.000  0.00  0.00           H 0
+ATOM      2 H02 0non 01          6.628   5.000   5.000  0.00  0.00           H 0
+ATOM      3 N01 0non 01          5.814   5.470   5.388  0.00  0.00           N 0
+ATOM      4 H03 0non 01          5.000   5.000   5.000  0.00  0.00           H 0
+CONECT    1    3                                                                
+CONECT    2    3                                                                
+CONECT    3    1    2    4                                                      
+CONECT    4    3                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:56:44 2016, time step 0
+ATOM      1 H01 0non 01          5.814   6.410   5.000  0.00  0.00           H 0
+ATOM      2 H02 0non 01          6.628   5.000   5.000  0.00  0.00           H 0
+ATOM      3 N01 0non 01          5.814   5.470   5.388  0.00  0.00           N 0
+ATOM      4 H03 0non 01          5.000   5.000   5.000  0.00  0.00           H 0
+CONECT    1    3                                                                
+CONECT    2    3                                                                
+CONECT    3    1    2    4                                                      
+CONECT    4    3                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:56:44 2016, time step 0
+ATOM      1 H01 0non 01          5.814   6.410   5.000  0.00  0.00           H 0
+ATOM      2 H02 0non 01          6.628   5.000   5.000  0.00  0.00           H 0
+ATOM      3 N01 0non 01          5.814   5.470   5.388  0.00  0.00           N 0
+ATOM      4 H03 0non 01          5.000   5.000   5.000  0.00  0.00           H 0
+CONECT    1    3                                                                
+CONECT    2    3                                                                
+CONECT    3    1    2    4                                                      
+CONECT    4    3                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:56:45 2016, time step 0
+ATOM      1 H01 0non 01          5.814   6.410   5.000  0.00  0.00           H 0
+ATOM      2 H02 0non 01          6.628   5.000   5.000  0.00  0.00           H 0
+ATOM      3 N01 0non 01          5.814   5.470   5.388  0.00  0.00           N 0
+ATOM      4 H03 0non 01          5.000   5.000   5.000  0.00  0.00           H 0
+CONECT    1    3                                                                
+CONECT    2    3                                                                
+CONECT    3    1    2    4                                                      
+CONECT    4    3                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:56:45 2016, time step 0
+ATOM      1 H01 0non 01          5.814   6.410   5.000  0.00  0.00           H 0
+ATOM      2 H02 0non 01          6.628   5.000   5.000  0.00  0.00           H 0
+ATOM      3 N01 0non 01          5.814   5.470   5.388  0.00  0.00           N 0
+ATOM      4 H03 0non 01          5.000   5.000   5.000  0.00  0.00           H 0
+CONECT    1    3                                                                
+CONECT    2    3                                                                
+CONECT    3    1    2    4                                                      
+CONECT    4    3                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:56:43 2016, time step 0
+ATOM      1 H01 0non 01          5.814   6.410   5.000  0.00  0.00           H 0
+ATOM      2 H02 0non 01          6.628   5.000   5.000  0.00  0.00           H 0
+ATOM      3 N01 0non 01          5.814   5.470   5.388  0.00  0.00           N 0
+ATOM      4 H03 0non 01          5.000   5.000   5.000  0.00  0.00           H 0
+CONECT    1    3                                                                
+CONECT    2    3                                                                
+CONECT    3    1    2    4                                                      
+CONECT    4    3                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:56:45 2016, time step 0
+ATOM      1 H01 0non 01          5.814   6.410   5.000  0.00  0.00           H 0
+ATOM      2 H02 0non 01          6.628   5.000   5.000  0.00  0.00           H 0
+ATOM      3 N01 0non 01          5.814   5.470   5.388  0.00  0.00           N 0
+ATOM      4 H03 0non 01          5.000   5.000   5.000  0.00  0.00           H 0
+CONECT    1    3                                                                
+CONECT    2    3                                                                
+CONECT    3    1    2    4                                                      
+CONECT    4    3                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:56:43 2016, time step 0
+ATOM      1 H01 0non 01          5.814   6.410   5.000  0.00  0.00           H 0
+ATOM      2 H02 0non 01          6.628   5.000   5.000  0.00  0.00           H 0
+ATOM      3 N01 0non 01          5.814   5.470   5.388  0.00  0.00           N 0
+ATOM      4 H03 0non 01          5.000   5.000   5.000  0.00  0.00           H 0
+CONECT    1    3                                                                
+CONECT    2    3                                                                
+CONECT    3    1    2    4                                                      
+CONECT    4    3                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:56:44 2016, time step 0
+ATOM      1 H01 0non 01          5.814   6.410   5.000  0.00  0.00           H 0
+ATOM      2 H02 0non 01          6.628   5.000   5.000  0.00  0.00           H 0
+ATOM      3 N01 0non 01          5.814   5.470   5.388  0.00  0.00           N 0
+ATOM      4 H03 0non 01          5.000   5.000   5.000  0.00  0.00           H 0
+CONECT    1    3                                                                
+CONECT    2    3                                                                
+CONECT    3    1    2    4                                                      
+CONECT    4    3                                                                
+END
Index: tests/regression/Potential/FitPotential/pre/improper_homology.dat
===================================================================
--- tests/regression/Potential/FitPotential/pre/improper_homology.dat	(revision f5724f5e9fef76b193afb7727d363143bd251f59)
+++ tests/regression/Potential/FitPotential/pre/improper_homology.dat	(revision e47ac71b3e565b9051aaee9368699525a439737e)
@@ -1,105 +1,2 @@
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Index: tests/regression/Potential/FitPotential/pre/length_common.pdb
===================================================================
--- tests/regression/Potential/FitPotential/pre/length_common.pdb	(revision e47ac71b3e565b9051aaee9368699525a439737e)
+++ tests/regression/Potential/FitPotential/pre/length_common.pdb	(revision e47ac71b3e565b9051aaee9368699525a439737e)
@@ -0,0 +1,88 @@
+REMARK created by molecuilder on Fri Oct 21 00:49:47 2016, time step 0
+ATOM      1 O01 0non 01          5.099   5.000   5.308  0.00  0.00           O 0
+ATOM      2 H01 0non 01          5.655   5.000   4.884  0.00  0.00           H 0
+ATOM      3 H02 0non 01          4.345   5.000   4.734  0.00  0.00           H 0
+CONECT    1    2    3                                                           
+CONECT    2    1                                                                
+CONECT    3    1                                                                
+END
+REMARK created by molecuilder on Fri Oct 21 00:49:48 2016, time step 0
+ATOM      1 O01 0non 01          5.079   5.000   5.323  0.00  0.00           O 0
+ATOM      2 H01 0non 01          5.675   5.000   4.869  0.00  0.00           H 0
+ATOM      3 H02 0non 01          4.325   5.000   4.749  0.00  0.00           H 0
+CONECT    1    2    3                                                           
+CONECT    2    1                                                                
+CONECT    3    1                                                                
+END
+REMARK created by molecuilder on Fri Oct 21 00:49:48 2016, time step 0
+ATOM      1 O01 0non 01          5.059   5.000   5.338  0.00  0.00           O 0
+ATOM      2 H01 0non 01          5.695   5.000   4.854  0.00  0.00           H 0
+ATOM      3 H02 0non 01          4.305   5.000   4.764  0.00  0.00           H 0
+CONECT    1    2    3                                                           
+CONECT    2    1                                                                
+CONECT    3    1                                                                
+END
+REMARK created by molecuilder on Fri Oct 21 00:49:48 2016, time step 0
+ATOM      1 O01 0non 01          5.039   5.000   5.353  0.00  0.00           O 0
+ATOM      2 H01 0non 01          5.715   5.000   4.839  0.00  0.00           H 0
+ATOM      3 H02 0non 01          4.285   5.000   4.779  0.00  0.00           H 0
+CONECT    1    2    3                                                           
+CONECT    2    1                                                                
+CONECT    3    1                                                                
+END
+REMARK created by molecuilder on Fri Oct 21 00:49:48 2016, time step 0
+ATOM      1 O01 0non 01          5.019   5.000   5.369  0.00  0.00           O 0
+ATOM      2 H01 0non 01          5.735   5.000   4.823  0.00  0.00           H 0
+ATOM      3 H02 0non 01          4.265   5.000   4.795  0.00  0.00           H 0
+CONECT    1    2    3                                                           
+CONECT    2    1                                                                
+CONECT    3    1                                                                
+END
+REMARK created by molecuilder on Fri Oct 21 00:49:48 2016, time step 0
+ATOM      1 O01 0non 01          4.999   5.000   5.384  0.00  0.00           O 0
+ATOM      2 H01 0non 01          5.755   5.000   4.808  0.00  0.00           H 0
+ATOM      3 H02 0non 01          4.245   5.000   4.810  0.00  0.00           H 0
+CONECT    1    2    3                                                           
+CONECT    2    1                                                                
+CONECT    3    1                                                                
+END
+REMARK created by molecuilder on Fri Oct 21 00:49:48 2016, time step 0
+ATOM      1 O01 0non 01          4.979   5.000   5.399  0.00  0.00           O 0
+ATOM      2 H01 0non 01          5.775   5.000   4.793  0.00  0.00           H 0
+ATOM      3 H02 0non 01          4.225   5.000   4.825  0.00  0.00           H 0
+CONECT    1    2    3                                                           
+CONECT    2    1                                                                
+CONECT    3    1                                                                
+END
+REMARK created by molecuilder on Fri Oct 21 00:49:49 2016, time step 0
+ATOM      1 O01 0non 01          4.959   5.000   5.414  0.00  0.00           O 0
+ATOM      2 H01 0non 01          5.795   5.000   4.778  0.00  0.00           H 0
+ATOM      3 H02 0non 01          4.205   5.000   4.840  0.00  0.00           H 0
+CONECT    1    2    3                                                           
+CONECT    2    1                                                                
+CONECT    3    1                                                                
+END
+REMARK created by molecuilder on Fri Oct 21 00:49:49 2016, time step 0
+ATOM      1 O01 0non 01          4.939   5.000   5.429  0.00  0.00           O 0
+ATOM      2 H01 0non 01          5.815   5.000   4.763  0.00  0.00           H 0
+ATOM      3 H02 0non 01          4.185   5.000   4.855  0.00  0.00           H 0
+CONECT    1    2    3                                                           
+CONECT    2    1                                                                
+CONECT    3    1                                                                
+END
+REMARK created by molecuilder on Fri Oct 21 00:49:49 2016, time step 0
+ATOM      1 O01 0non 01          4.919   5.000   5.444  0.00  0.00           O 0
+ATOM      2 H01 0non 01          5.835   5.000   4.748  0.00  0.00           H 0
+ATOM      3 H02 0non 01          4.165   5.000   4.870  0.00  0.00           H 0
+CONECT    1    2    3                                                           
+CONECT    2    1                                                                
+CONECT    3    1                                                                
+END
+REMARK created by molecuilder on Fri Oct 21 00:49:49 2016, time step 0
+ATOM      1 O01 0non 01          4.900   5.000   5.459  0.00  0.00           O 0
+ATOM      2 H01 0non 01          5.854   5.000   4.733  0.00  0.00           H 0
+ATOM      3 H02 0non 01          4.146   5.000   4.885  0.00  0.00           H 0
+CONECT    1    2    3                                                           
+CONECT    2    1                                                                
+CONECT    3    1                                                                
+END
Index: tests/regression/Potential/FitPotential/pre/length_homology.dat
===================================================================
--- tests/regression/Potential/FitPotential/pre/length_homology.dat	(revision f5724f5e9fef76b193afb7727d363143bd251f59)
+++ tests/regression/Potential/FitPotential/pre/length_homology.dat	(revision e47ac71b3e565b9051aaee9368699525a439737e)
@@ -1,47 +1,2 @@
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Index: tests/regression/Potential/FitPotential/pre/lj_common.pdb
===================================================================
--- tests/regression/Potential/FitPotential/pre/lj_common.pdb	(revision e47ac71b3e565b9051aaee9368699525a439737e)
+++ tests/regression/Potential/FitPotential/pre/lj_common.pdb	(revision e47ac71b3e565b9051aaee9368699525a439737e)
@@ -0,0 +1,44 @@
+REMARK created by molecuilder on Fri Oct 21 00:58:25 2016, time step 0
+ATOM      1 Ar010arg 01          0.000   0.000   0.000  0.00  0.00          AR 0
+ATOM      2 Ar020arg 01          4.100   0.000   0.000  0.00  0.00          AR 0
+END
+REMARK created by molecuilder on Fri Oct 21 00:58:25 2016, time step 1
+ATOM      1 Ar010arg 01          0.000   0.000   0.000  0.00  0.00          AR 0
+ATOM      2 Ar020arg 01          4.430   0.000   0.000  0.00  0.00          AR 0
+END
+REMARK created by molecuilder on Fri Oct 21 00:58:25 2016, time step 2
+ATOM      1 Ar010arg 01          0.000   0.000   0.000  0.00  0.00          AR 0
+ATOM      2 Ar020arg 01          4.760   0.000   0.000  0.00  0.00          AR 0
+END
+REMARK created by molecuilder on Fri Oct 21 00:58:25 2016, time step 3
+ATOM      1 Ar010arg 01          0.000   0.000   0.000  0.00  0.00          AR 0
+ATOM      2 Ar020arg 01          5.090   0.000   0.000  0.00  0.00          AR 0
+END
+REMARK created by molecuilder on Fri Oct 21 00:58:25 2016, time step 4
+ATOM      1 Ar010arg 01          0.000   0.000   0.000  0.00  0.00          AR 0
+ATOM      2 Ar020arg 01          5.420   0.000   0.000  0.00  0.00          AR 0
+END
+REMARK created by molecuilder on Fri Oct 21 00:58:25 2016, time step 5
+ATOM      1 Ar010arg 01          0.000   0.000   0.000  0.00  0.00          AR 0
+ATOM      2 Ar020arg 01          5.750   0.000   0.000  0.00  0.00          AR 0
+END
+REMARK created by molecuilder on Fri Oct 21 00:58:25 2016, time step 6
+ATOM      1 Ar010arg 01          0.000   0.000   0.000  0.00  0.00          AR 0
+ATOM      2 Ar020arg 01          6.080   0.000   0.000  0.00  0.00          AR 0
+END
+REMARK created by molecuilder on Fri Oct 21 00:58:25 2016, time step 7
+ATOM      1 Ar010arg 01          0.000   0.000   0.000  0.00  0.00          AR 0
+ATOM      2 Ar020arg 01          6.410   0.000   0.000  0.00  0.00          AR 0
+END
+REMARK created by molecuilder on Fri Oct 21 00:58:25 2016, time step 8
+ATOM      1 Ar010arg 01          0.000   0.000   0.000  0.00  0.00          AR 0
+ATOM      2 Ar020arg 01          6.740   0.000   0.000  0.00  0.00          AR 0
+END
+REMARK created by molecuilder on Fri Oct 21 00:58:25 2016, time step 9
+ATOM      1 Ar010arg 01          0.000   0.000   0.000  0.00  0.00          AR 0
+ATOM      2 Ar020arg 01          7.070   0.000   0.000  0.00  0.00          AR 0
+END
+REMARK created by molecuilder on Fri Oct 21 00:58:25 2016, time step 10
+ATOM      1 Ar010arg 01          0.000   0.000   0.000  0.00  0.00          AR 0
+ATOM      2 Ar020arg 01          7.400   0.000   0.000  0.00  0.00          AR 0
+END
Index: tests/regression/Potential/FitPotential/pre/lj_homology.dat
===================================================================
--- tests/regression/Potential/FitPotential/pre/lj_homology.dat	(revision f5724f5e9fef76b193afb7727d363143bd251f59)
+++ tests/regression/Potential/FitPotential/pre/lj_homology.dat	(revision e47ac71b3e565b9051aaee9368699525a439737e)
@@ -1,272 +1,2 @@
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-250 1 0
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-256 1 0
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-259 1 0
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-262 1 0
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-265 1 0
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-268 1 0
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-270 2 0 3 0 0 0 0 18 3 0 13.983972315484033 0 0 18 -1.7716956790536642e-07 0
+22 serialization::archive 10 1 0
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Index: tests/regression/Potential/FitPotential/pre/measurement_function.py
===================================================================
--- tests/regression/Potential/FitPotential/pre/measurement_function.py	(revision e47ac71b3e565b9051aaee9368699525a439737e)
+++ tests/regression/Potential/FitPotential/pre/measurement_function.py	(revision e47ac71b3e565b9051aaee9368699525a439737e)
@@ -0,0 +1,46 @@
+import sys
+import pyMoleCuilder as mol
+
+if len(sys.argv) < 13:
+	sys.stderr.write("Usage: "+sys.argv[0]+" <file> <order> <DoLongrange> <DoValenceOnly> <level> <near_field_cells> <server> <port> <basis> <inter-order> <distance> <steps> <bondtable>\n")
+	sys.exit(255)
+
+FILE=sys.argv[1]
+ORDER=sys.argv[2]
+LONGRANGE=sys.argv[3]
+VALENCEONLY=sys.argv[4]
+LEVEL=sys.argv[5]
+NEAR_FIELD_CELLS=sys.argv[6]
+SERVERADDRESS=sys.argv[7]
+CONTROLLERPORT=sys.argv[8]
+BASISNAME=sys.argv[9]
+INTERORDER=sys.argv[10]
+DISTANCE=sys.argv[11]
+STEPS=int(sys.argv[12])
+BONDTABLE=sys.argv[13]
+
+# load bond table file
+mol.CommandBondLengthTable(BONDTABLE)
+# Load molecule
+mol.MoleculeLoad(FILE)
+# Set parser parameter for mpqc
+mol.ParserSetParserParameters("mpqc", "theory=CLHF;basis="+BASISNAME+";")
+# set boundary
+mol.WorldSetBoundaryConditions("Ignore Ignore Ignore")
+# update molecule graph as first step setting does not change anything
+mol.GraphUpdateMolecules()
+
+for i in range(0,STEPS):
+	# set current time
+	mol.WorldSetWorldTime(str(i))
+	# fragment system
+	mol.SelectionAllAtoms()
+	mol.FragmentationFragmentation("", DISTANCE, ORDER, "1", "1", "", "0.", LEVEL, INTERORDER, "0", "0")
+	mol.FragmentationFragmentationAutomation(SERVERADDRESS, CONTROLLERPORT, "mpqc", LEVEL, NEAR_FIELD_CELLS, "3", LONGRANGE, "", VALENCEONLY, "0")
+	mol.FragmentationAnalyseFragmentationResults("", "0")
+
+# save homologies
+mol.PotentialSaveHomologies("homology.dat")
+
+# exit
+sys.exit(0)
Index: tests/regression/Potential/FitPotential/pre/torsion_common.pdb
===================================================================
--- tests/regression/Potential/FitPotential/pre/torsion_common.pdb	(revision e47ac71b3e565b9051aaee9368699525a439737e)
+++ tests/regression/Potential/FitPotential/pre/torsion_common.pdb	(revision e47ac71b3e565b9051aaee9368699525a439737e)
@@ -0,0 +1,630 @@
+REMARK created by molecuilder on Thu Oct 20 23:59:02 2016, time step 0
+ATOM      1 C01 0non 01          5.890   6.513   5.890  0.00  0.00           C 0
+ATOM      2 C02 0non 01          7.139   5.629   5.890  0.00  0.00           C 0
+ATOM      3 H01 0non 01          5.890   7.142   5.000  0.00  0.00           H 0
+ATOM      4 H02 0non 01          5.890   7.142   6.780  0.00  0.00           H 0
+ATOM      5 H03 0non 01          7.139   5.000   5.000  0.00  0.00           H 0
+ATOM      6 H04 0non 01          7.139   5.000   6.780  0.00  0.00           H 0
+ATOM      7 H05 0non 01          9.638   5.000   6.780  0.00  0.00           H 0
+ATOM      8 H06 0non 01          9.638   5.000   5.000  0.00  0.00           H 0
+ATOM      9 H07 0non 01          8.389   7.142   6.780  0.00  0.00           H 0
+ATOM     10 H08 0non 01          8.389   7.142   5.000  0.00  0.00           H 0
+ATOM     11 C04 0non 01          8.389   6.513   5.890  0.00  0.00           C 0
+ATOM     12 C03 0non 01          9.638   5.629   5.890  0.00  0.00           C 0
+ATOM     13 H09 0non 01          5.000   5.883   5.890  0.00  0.00           H 0
+ATOM     14 H10 0non 01         10.528   6.259   5.890  0.00  0.00           H 0
+CONECT    1   13    3    4    2                                                 
+CONECT    2    1    5    6   11                                                 
+CONECT    3    1                                                                
+CONECT    4    1                                                                
+CONECT    5    2                                                                
+CONECT    6    2                                                                
+CONECT    7   12                                                                
+CONECT    8   12                                                                
+CONECT    9   11                                                                
+CONECT   10   11                                                                
+CONECT   11    2    9   10   12                                                 
+CONECT   12    7    8   11   14                                                 
+CONECT   13    1                                                                
+CONECT   14   12                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:59:02 2016, time step 0
+ATOM      1 C01 0non 01          5.890   6.513   5.890  0.00  0.00           C 0
+ATOM      2 C02 0non 01          7.139   5.629   5.890  0.00  0.00           C 0
+ATOM      3 H01 0non 01          5.890   7.142   5.000  0.00  0.00           H 0
+ATOM      4 H02 0non 01          5.890   7.142   6.780  0.00  0.00           H 0
+ATOM      5 H03 0non 01          7.139   5.000   5.000  0.00  0.00           H 0
+ATOM      6 H04 0non 01          7.139   5.000   6.780  0.00  0.00           H 0
+ATOM      7 H05 0non 01          9.638   5.000   6.780  0.00  0.00           H 0
+ATOM      8 H06 0non 01          9.638   5.000   5.000  0.00  0.00           H 0
+ATOM      9 H07 0non 01          8.389   7.142   6.780  0.00  0.00           H 0
+ATOM     10 H08 0non 01          8.389   7.142   5.000  0.00  0.00           H 0
+ATOM     11 C04 0non 01          8.389   6.513   5.890  0.00  0.00           C 0
+ATOM     12 C03 0non 01          9.638   5.629   5.890  0.00  0.00           C 0
+ATOM     13 H09 0non 01          5.000   5.883   5.890  0.00  0.00           H 0
+ATOM     14 H10 0non 01         10.528   6.259   5.890  0.00  0.00           H 0
+CONECT    1   13    3    4    2                                                 
+CONECT    2    1    5    6   11                                                 
+CONECT    3    1                                                                
+CONECT    4    1                                                                
+CONECT    5    2                                                                
+CONECT    6    2                                                                
+CONECT    7   12                                                                
+CONECT    8   12                                                                
+CONECT    9   11                                                                
+CONECT   10   11                                                                
+CONECT   11    2    9   10   12                                                 
+CONECT   12    7    8   11   14                                                 
+CONECT   13    1                                                                
+CONECT   14   12                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:59:02 2016, time step 0
+ATOM      1 C01 0non 01          5.890   6.513   5.890  0.00  0.00           C 0
+ATOM      2 C02 0non 01          7.139   5.629   5.890  0.00  0.00           C 0
+ATOM      3 H01 0non 01          5.890   7.142   5.000  0.00  0.00           H 0
+ATOM      4 H02 0non 01          5.890   7.142   6.780  0.00  0.00           H 0
+ATOM      5 H03 0non 01          7.139   5.000   5.000  0.00  0.00           H 0
+ATOM      6 H04 0non 01          7.139   5.000   6.780  0.00  0.00           H 0
+ATOM      7 H05 0non 01          9.638   5.000   6.780  0.00  0.00           H 0
+ATOM      8 H06 0non 01          9.638   5.000   5.000  0.00  0.00           H 0
+ATOM      9 H07 0non 01          8.389   7.142   6.780  0.00  0.00           H 0
+ATOM     10 H08 0non 01          8.389   7.142   5.000  0.00  0.00           H 0
+ATOM     11 C04 0non 01          8.389   6.513   5.890  0.00  0.00           C 0
+ATOM     12 C03 0non 01          9.638   5.629   5.890  0.00  0.00           C 0
+ATOM     13 H09 0non 01          5.000   5.883   5.890  0.00  0.00           H 0
+ATOM     14 H10 0non 01         10.528   6.259   5.890  0.00  0.00           H 0
+CONECT    1   13    3    4    2                                                 
+CONECT    2    1    5    6   11                                                 
+CONECT    3    1                                                                
+CONECT    4    1                                                                
+CONECT    5    2                                                                
+CONECT    6    2                                                                
+CONECT    7   12                                                                
+CONECT    8   12                                                                
+CONECT    9   11                                                                
+CONECT   10   11                                                                
+CONECT   11    2    9   10   12                                                 
+CONECT   12    7    8   11   14                                                 
+CONECT   13    1                                                                
+CONECT   14   12                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:59:02 2016, time step 0
+ATOM      1 C01 0non 01          5.890   6.513   5.890  0.00  0.00           C 0
+ATOM      2 C02 0non 01          7.139   5.629   5.890  0.00  0.00           C 0
+ATOM      3 H01 0non 01          5.890   7.142   5.000  0.00  0.00           H 0
+ATOM      4 H02 0non 01          5.890   7.142   6.780  0.00  0.00           H 0
+ATOM      5 H03 0non 01          7.139   5.000   5.000  0.00  0.00           H 0
+ATOM      6 H04 0non 01          7.139   5.000   6.780  0.00  0.00           H 0
+ATOM      7 H05 0non 01          9.638   5.000   6.780  0.00  0.00           H 0
+ATOM      8 H06 0non 01          9.638   5.000   5.000  0.00  0.00           H 0
+ATOM      9 H07 0non 01          8.389   7.142   6.780  0.00  0.00           H 0
+ATOM     10 H08 0non 01          8.389   7.142   5.000  0.00  0.00           H 0
+ATOM     11 C04 0non 01          8.389   6.513   5.890  0.00  0.00           C 0
+ATOM     12 C03 0non 01          9.638   5.629   5.890  0.00  0.00           C 0
+ATOM     13 H09 0non 01          5.000   5.883   5.890  0.00  0.00           H 0
+ATOM     14 H10 0non 01         10.528   6.259   5.890  0.00  0.00           H 0
+CONECT    1   13    3    4    2                                                 
+CONECT    2    1    5    6   11                                                 
+CONECT    3    1                                                                
+CONECT    4    1                                                                
+CONECT    5    2                                                                
+CONECT    6    2                                                                
+CONECT    7   12                                                                
+CONECT    8   12                                                                
+CONECT    9   11                                                                
+CONECT   10   11                                                                
+CONECT   11    2    9   10   12                                                 
+CONECT   12    7    8   11   14                                                 
+CONECT   13    1                                                                
+CONECT   14   12                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:59:02 2016, time step 0
+ATOM      1 C01 0non 01          5.890   6.513   5.890  0.00  0.00           C 0
+ATOM      2 C02 0non 01          7.139   5.629   5.890  0.00  0.00           C 0
+ATOM      3 H01 0non 01          5.890   7.142   5.000  0.00  0.00           H 0
+ATOM      4 H02 0non 01          5.890   7.142   6.780  0.00  0.00           H 0
+ATOM      5 H03 0non 01          7.139   5.000   5.000  0.00  0.00           H 0
+ATOM      6 H04 0non 01          7.139   5.000   6.780  0.00  0.00           H 0
+ATOM      7 H05 0non 01          9.638   5.000   6.780  0.00  0.00           H 0
+ATOM      8 H06 0non 01          9.638   5.000   5.000  0.00  0.00           H 0
+ATOM      9 H07 0non 01          8.389   7.142   6.780  0.00  0.00           H 0
+ATOM     10 H08 0non 01          8.389   7.142   5.000  0.00  0.00           H 0
+ATOM     11 C04 0non 01          8.389   6.513   5.890  0.00  0.00           C 0
+ATOM     12 C03 0non 01          9.638   5.629   5.890  0.00  0.00           C 0
+ATOM     13 H09 0non 01          5.000   5.883   5.890  0.00  0.00           H 0
+ATOM     14 H10 0non 01         10.528   6.259   5.890  0.00  0.00           H 0
+CONECT    1   13    3    4    2                                                 
+CONECT    2    1    5    6   11                                                 
+CONECT    3    1                                                                
+CONECT    4    1                                                                
+CONECT    5    2                                                                
+CONECT    6    2                                                                
+CONECT    7   12                                                                
+CONECT    8   12                                                                
+CONECT    9   11                                                                
+CONECT   10   11                                                                
+CONECT   11    2    9   10   12                                                 
+CONECT   12    7    8   11   14                                                 
+CONECT   13    1                                                                
+CONECT   14   12                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:59:03 2016, time step 0
+ATOM      1 C01 0non 01          5.890   6.513   5.890  0.00  0.00           C 0
+ATOM      2 C02 0non 01          7.139   5.629   5.890  0.00  0.00           C 0
+ATOM      3 H01 0non 01          5.890   7.142   5.000  0.00  0.00           H 0
+ATOM      4 H02 0non 01          5.890   7.142   6.780  0.00  0.00           H 0
+ATOM      5 H03 0non 01          7.139   5.000   5.000  0.00  0.00           H 0
+ATOM      6 H04 0non 01          7.139   5.000   6.780  0.00  0.00           H 0
+ATOM      7 H05 0non 01          9.638   5.000   6.780  0.00  0.00           H 0
+ATOM      8 H06 0non 01          9.638   5.000   5.000  0.00  0.00           H 0
+ATOM      9 H07 0non 01          8.389   7.142   6.780  0.00  0.00           H 0
+ATOM     10 H08 0non 01          8.389   7.142   5.000  0.00  0.00           H 0
+ATOM     11 C04 0non 01          8.389   6.513   5.890  0.00  0.00           C 0
+ATOM     12 C03 0non 01          9.638   5.629   5.890  0.00  0.00           C 0
+ATOM     13 H09 0non 01          5.000   5.883   5.890  0.00  0.00           H 0
+ATOM     14 H10 0non 01         10.528   6.259   5.890  0.00  0.00           H 0
+CONECT    1   13    3    4    2                                                 
+CONECT    2    1    5    6   11                                                 
+CONECT    3    1                                                                
+CONECT    4    1                                                                
+CONECT    5    2                                                                
+CONECT    6    2                                                                
+CONECT    7   12                                                                
+CONECT    8   12                                                                
+CONECT    9   11                                                                
+CONECT   10   11                                                                
+CONECT   11    2    9   10   12                                                 
+CONECT   12    7    8   11   14                                                 
+CONECT   13    1                                                                
+CONECT   14   12                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:59:03 2016, time step 0
+ATOM      1 C01 0non 01          5.890   6.513   5.890  0.00  0.00           C 0
+ATOM      2 C02 0non 01          7.139   5.629   5.890  0.00  0.00           C 0
+ATOM      3 H01 0non 01          5.890   7.142   5.000  0.00  0.00           H 0
+ATOM      4 H02 0non 01          5.890   7.142   6.780  0.00  0.00           H 0
+ATOM      5 H03 0non 01          7.139   5.000   5.000  0.00  0.00           H 0
+ATOM      6 H04 0non 01          7.139   5.000   6.780  0.00  0.00           H 0
+ATOM      7 H05 0non 01          9.638   5.000   6.780  0.00  0.00           H 0
+ATOM      8 H06 0non 01          9.638   5.000   5.000  0.00  0.00           H 0
+ATOM      9 H07 0non 01          8.389   7.142   6.780  0.00  0.00           H 0
+ATOM     10 H08 0non 01          8.389   7.142   5.000  0.00  0.00           H 0
+ATOM     11 C04 0non 01          8.389   6.513   5.890  0.00  0.00           C 0
+ATOM     12 C03 0non 01          9.638   5.629   5.890  0.00  0.00           C 0
+ATOM     13 H09 0non 01          5.000   5.883   5.890  0.00  0.00           H 0
+ATOM     14 H10 0non 01         10.528   6.259   5.890  0.00  0.00           H 0
+CONECT    1   13    3    4    2                                                 
+CONECT    2    1    5    6   11                                                 
+CONECT    3    1                                                                
+CONECT    4    1                                                                
+CONECT    5    2                                                                
+CONECT    6    2                                                                
+CONECT    7   12                                                                
+CONECT    8   12                                                                
+CONECT    9   11                                                                
+CONECT   10   11                                                                
+CONECT   11    2    9   10   12                                                 
+CONECT   12    7    8   11   14                                                 
+CONECT   13    1                                                                
+CONECT   14   12                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:59:03 2016, time step 0
+ATOM      1 C01 0non 01          5.890   6.513   5.890  0.00  0.00           C 0
+ATOM      2 C02 0non 01          7.139   5.629   5.890  0.00  0.00           C 0
+ATOM      3 H01 0non 01          5.890   7.142   5.000  0.00  0.00           H 0
+ATOM      4 H02 0non 01          5.890   7.142   6.780  0.00  0.00           H 0
+ATOM      5 H03 0non 01          7.139   5.000   5.000  0.00  0.00           H 0
+ATOM      6 H04 0non 01          7.139   5.000   6.780  0.00  0.00           H 0
+ATOM      7 H05 0non 01          9.638   5.000   6.780  0.00  0.00           H 0
+ATOM      8 H06 0non 01          9.638   5.000   5.000  0.00  0.00           H 0
+ATOM      9 H07 0non 01          8.389   7.142   6.780  0.00  0.00           H 0
+ATOM     10 H08 0non 01          8.389   7.142   5.000  0.00  0.00           H 0
+ATOM     11 C04 0non 01          8.389   6.513   5.890  0.00  0.00           C 0
+ATOM     12 C03 0non 01          9.638   5.629   5.890  0.00  0.00           C 0
+ATOM     13 H09 0non 01          5.000   5.883   5.890  0.00  0.00           H 0
+ATOM     14 H10 0non 01         10.528   6.259   5.890  0.00  0.00           H 0
+CONECT    1   13    3    4    2                                                 
+CONECT    2    1    5    6   11                                                 
+CONECT    3    1                                                                
+CONECT    4    1                                                                
+CONECT    5    2                                                                
+CONECT    6    2                                                                
+CONECT    7   12                                                                
+CONECT    8   12                                                                
+CONECT    9   11                                                                
+CONECT   10   11                                                                
+CONECT   11    2    9   10   12                                                 
+CONECT   12    7    8   11   14                                                 
+CONECT   13    1                                                                
+CONECT   14   12                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:59:03 2016, time step 0
+ATOM      1 C01 0non 01          5.890   6.513   5.890  0.00  0.00           C 0
+ATOM      2 C02 0non 01          7.139   5.629   5.890  0.00  0.00           C 0
+ATOM      3 H01 0non 01          5.890   7.142   5.000  0.00  0.00           H 0
+ATOM      4 H02 0non 01          5.890   7.142   6.780  0.00  0.00           H 0
+ATOM      5 H03 0non 01          7.139   5.000   5.000  0.00  0.00           H 0
+ATOM      6 H04 0non 01          7.139   5.000   6.780  0.00  0.00           H 0
+ATOM      7 H05 0non 01          9.638   5.000   6.780  0.00  0.00           H 0
+ATOM      8 H06 0non 01          9.638   5.000   5.000  0.00  0.00           H 0
+ATOM      9 H07 0non 01          8.389   7.142   6.780  0.00  0.00           H 0
+ATOM     10 H08 0non 01          8.389   7.142   5.000  0.00  0.00           H 0
+ATOM     11 C04 0non 01          8.389   6.513   5.890  0.00  0.00           C 0
+ATOM     12 C03 0non 01          9.638   5.629   5.890  0.00  0.00           C 0
+ATOM     13 H09 0non 01          5.000   5.883   5.890  0.00  0.00           H 0
+ATOM     14 H10 0non 01         10.528   6.259   5.890  0.00  0.00           H 0
+CONECT    1   13    3    4    2                                                 
+CONECT    2    1    5    6   11                                                 
+CONECT    3    1                                                                
+CONECT    4    1                                                                
+CONECT    5    2                                                                
+CONECT    6    2                                                                
+CONECT    7   12                                                                
+CONECT    8   12                                                                
+CONECT    9   11                                                                
+CONECT   10   11                                                                
+CONECT   11    2    9   10   12                                                 
+CONECT   12    7    8   11   14                                                 
+CONECT   13    1                                                                
+CONECT   14   12                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:59:03 2016, time step 0
+ATOM      1 C01 0non 01          5.890   6.513   5.890  0.00  0.00           C 0
+ATOM      2 C02 0non 01          7.139   5.629   5.890  0.00  0.00           C 0
+ATOM      3 H01 0non 01          5.890   7.142   5.000  0.00  0.00           H 0
+ATOM      4 H02 0non 01          5.890   7.142   6.780  0.00  0.00           H 0
+ATOM      5 H03 0non 01          7.139   5.000   5.000  0.00  0.00           H 0
+ATOM      6 H04 0non 01          7.139   5.000   6.780  0.00  0.00           H 0
+ATOM      7 H05 0non 01          9.638   5.000   6.780  0.00  0.00           H 0
+ATOM      8 H06 0non 01          9.638   5.000   5.000  0.00  0.00           H 0
+ATOM      9 H07 0non 01          8.389   7.142   6.780  0.00  0.00           H 0
+ATOM     10 H08 0non 01          8.389   7.142   5.000  0.00  0.00           H 0
+ATOM     11 C04 0non 01          8.389   6.513   5.890  0.00  0.00           C 0
+ATOM     12 C03 0non 01          9.638   5.629   5.890  0.00  0.00           C 0
+ATOM     13 H09 0non 01          5.000   5.883   5.890  0.00  0.00           H 0
+ATOM     14 H10 0non 01         10.528   6.259   5.890  0.00  0.00           H 0
+CONECT    1   13    3    4    2                                                 
+CONECT    2    1    5    6   11                                                 
+CONECT    3    1                                                                
+CONECT    4    1                                                                
+CONECT    5    2                                                                
+CONECT    6    2                                                                
+CONECT    7   12                                                                
+CONECT    8   12                                                                
+CONECT    9   11                                                                
+CONECT   10   11                                                                
+CONECT   11    2    9   10   12                                                 
+CONECT   12    7    8   11   14                                                 
+CONECT   13    1                                                                
+CONECT   14   12                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:59:03 2016, time step 0
+ATOM      1 C01 0non 01          5.890   6.513   5.890  0.00  0.00           C 0
+ATOM      2 C02 0non 01          7.139   5.629   5.890  0.00  0.00           C 0
+ATOM      3 H01 0non 01          5.890   7.142   5.000  0.00  0.00           H 0
+ATOM      4 H02 0non 01          5.890   7.142   6.780  0.00  0.00           H 0
+ATOM      5 H03 0non 01          7.139   5.000   5.000  0.00  0.00           H 0
+ATOM      6 H04 0non 01          7.139   5.000   6.780  0.00  0.00           H 0
+ATOM      7 H05 0non 01          9.638   5.000   6.780  0.00  0.00           H 0
+ATOM      8 H06 0non 01          9.638   5.000   5.000  0.00  0.00           H 0
+ATOM      9 H07 0non 01          8.389   7.142   6.780  0.00  0.00           H 0
+ATOM     10 H08 0non 01          8.389   7.142   5.000  0.00  0.00           H 0
+ATOM     11 C04 0non 01          8.389   6.513   5.890  0.00  0.00           C 0
+ATOM     12 C03 0non 01          9.638   5.629   5.890  0.00  0.00           C 0
+ATOM     13 H09 0non 01          5.000   5.883   5.890  0.00  0.00           H 0
+ATOM     14 H10 0non 01         10.528   6.259   5.890  0.00  0.00           H 0
+CONECT    1   13    3    4    2                                                 
+CONECT    2    1    5    6   11                                                 
+CONECT    3    1                                                                
+CONECT    4    1                                                                
+CONECT    5    2                                                                
+CONECT    6    2                                                                
+CONECT    7   12                                                                
+CONECT    8   12                                                                
+CONECT    9   11                                                                
+CONECT   10   11                                                                
+CONECT   11    2    9   10   12                                                 
+CONECT   12    7    8   11   14                                                 
+CONECT   13    1                                                                
+CONECT   14   12                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:59:03 2016, time step 0
+ATOM      1 C01 0non 01          5.890   6.513   5.890  0.00  0.00           C 0
+ATOM      2 C02 0non 01          7.139   5.629   5.890  0.00  0.00           C 0
+ATOM      3 H01 0non 01          5.890   7.142   5.000  0.00  0.00           H 0
+ATOM      4 H02 0non 01          5.890   7.142   6.780  0.00  0.00           H 0
+ATOM      5 H03 0non 01          7.139   5.000   5.000  0.00  0.00           H 0
+ATOM      6 H04 0non 01          7.139   5.000   6.780  0.00  0.00           H 0
+ATOM      7 H05 0non 01          9.638   5.000   6.780  0.00  0.00           H 0
+ATOM      8 H06 0non 01          9.638   5.000   5.000  0.00  0.00           H 0
+ATOM      9 H07 0non 01          8.389   7.142   6.780  0.00  0.00           H 0
+ATOM     10 H08 0non 01          8.389   7.142   5.000  0.00  0.00           H 0
+ATOM     11 C04 0non 01          8.389   6.513   5.890  0.00  0.00           C 0
+ATOM     12 C03 0non 01          9.638   5.629   5.890  0.00  0.00           C 0
+ATOM     13 H09 0non 01          5.000   5.883   5.890  0.00  0.00           H 0
+ATOM     14 H10 0non 01         10.528   6.259   5.890  0.00  0.00           H 0
+CONECT    1   13    3    4    2                                                 
+CONECT    2    1    5    6   11                                                 
+CONECT    3    1                                                                
+CONECT    4    1                                                                
+CONECT    5    2                                                                
+CONECT    6    2                                                                
+CONECT    7   12                                                                
+CONECT    8   12                                                                
+CONECT    9   11                                                                
+CONECT   10   11                                                                
+CONECT   11    2    9   10   12                                                 
+CONECT   12    7    8   11   14                                                 
+CONECT   13    1                                                                
+CONECT   14   12                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:59:04 2016, time step 0
+ATOM      1 C01 0non 01          5.890   6.513   5.890  0.00  0.00           C 0
+ATOM      2 C02 0non 01          7.139   5.629   5.890  0.00  0.00           C 0
+ATOM      3 H01 0non 01          5.890   7.142   5.000  0.00  0.00           H 0
+ATOM      4 H02 0non 01          5.890   7.142   6.780  0.00  0.00           H 0
+ATOM      5 H03 0non 01          7.139   5.000   5.000  0.00  0.00           H 0
+ATOM      6 H04 0non 01          7.139   5.000   6.780  0.00  0.00           H 0
+ATOM      7 H05 0non 01          9.638   5.000   6.780  0.00  0.00           H 0
+ATOM      8 H06 0non 01          9.638   5.000   5.000  0.00  0.00           H 0
+ATOM      9 H07 0non 01          8.389   7.142   6.780  0.00  0.00           H 0
+ATOM     10 H08 0non 01          8.389   7.142   5.000  0.00  0.00           H 0
+ATOM     11 C04 0non 01          8.389   6.513   5.890  0.00  0.00           C 0
+ATOM     12 C03 0non 01          9.638   5.629   5.890  0.00  0.00           C 0
+ATOM     13 H09 0non 01          5.000   5.883   5.890  0.00  0.00           H 0
+ATOM     14 H10 0non 01         10.528   6.259   5.890  0.00  0.00           H 0
+CONECT    1   13    3    4    2                                                 
+CONECT    2    1    5    6   11                                                 
+CONECT    3    1                                                                
+CONECT    4    1                                                                
+CONECT    5    2                                                                
+CONECT    6    2                                                                
+CONECT    7   12                                                                
+CONECT    8   12                                                                
+CONECT    9   11                                                                
+CONECT   10   11                                                                
+CONECT   11    2    9   10   12                                                 
+CONECT   12    7    8   11   14                                                 
+CONECT   13    1                                                                
+CONECT   14   12                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:59:04 2016, time step 0
+ATOM      1 C01 0non 01          5.890   6.513   5.890  0.00  0.00           C 0
+ATOM      2 C02 0non 01          7.139   5.629   5.890  0.00  0.00           C 0
+ATOM      3 H01 0non 01          5.890   7.142   5.000  0.00  0.00           H 0
+ATOM      4 H02 0non 01          5.890   7.142   6.780  0.00  0.00           H 0
+ATOM      5 H03 0non 01          7.139   5.000   5.000  0.00  0.00           H 0
+ATOM      6 H04 0non 01          7.139   5.000   6.780  0.00  0.00           H 0
+ATOM      7 H05 0non 01          9.638   5.000   6.780  0.00  0.00           H 0
+ATOM      8 H06 0non 01          9.638   5.000   5.000  0.00  0.00           H 0
+ATOM      9 H07 0non 01          8.389   7.142   6.780  0.00  0.00           H 0
+ATOM     10 H08 0non 01          8.389   7.142   5.000  0.00  0.00           H 0
+ATOM     11 C04 0non 01          8.389   6.513   5.890  0.00  0.00           C 0
+ATOM     12 C03 0non 01          9.638   5.629   5.890  0.00  0.00           C 0
+ATOM     13 H09 0non 01          5.000   5.883   5.890  0.00  0.00           H 0
+ATOM     14 H10 0non 01         10.528   6.259   5.890  0.00  0.00           H 0
+CONECT    1   13    3    4    2                                                 
+CONECT    2    1    5    6   11                                                 
+CONECT    3    1                                                                
+CONECT    4    1                                                                
+CONECT    5    2                                                                
+CONECT    6    2                                                                
+CONECT    7   12                                                                
+CONECT    8   12                                                                
+CONECT    9   11                                                                
+CONECT   10   11                                                                
+CONECT   11    2    9   10   12                                                 
+CONECT   12    7    8   11   14                                                 
+CONECT   13    1                                                                
+CONECT   14   12                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:59:04 2016, time step 0
+ATOM      1 C01 0non 01          5.890   6.513   5.890  0.00  0.00           C 0
+ATOM      2 C02 0non 01          7.139   5.629   5.890  0.00  0.00           C 0
+ATOM      3 H01 0non 01          5.890   7.142   5.000  0.00  0.00           H 0
+ATOM      4 H02 0non 01          5.890   7.142   6.780  0.00  0.00           H 0
+ATOM      5 H03 0non 01          7.139   5.000   5.000  0.00  0.00           H 0
+ATOM      6 H04 0non 01          7.139   5.000   6.780  0.00  0.00           H 0
+ATOM      7 H05 0non 01          9.638   5.000   6.780  0.00  0.00           H 0
+ATOM      8 H06 0non 01          9.638   5.000   5.000  0.00  0.00           H 0
+ATOM      9 H07 0non 01          8.389   7.142   6.780  0.00  0.00           H 0
+ATOM     10 H08 0non 01          8.389   7.142   5.000  0.00  0.00           H 0
+ATOM     11 C04 0non 01          8.389   6.513   5.890  0.00  0.00           C 0
+ATOM     12 C03 0non 01          9.638   5.629   5.890  0.00  0.00           C 0
+ATOM     13 H09 0non 01          5.000   5.883   5.890  0.00  0.00           H 0
+ATOM     14 H10 0non 01         10.528   6.259   5.890  0.00  0.00           H 0
+CONECT    1   13    3    4    2                                                 
+CONECT    2    1    5    6   11                                                 
+CONECT    3    1                                                                
+CONECT    4    1                                                                
+CONECT    5    2                                                                
+CONECT    6    2                                                                
+CONECT    7   12                                                                
+CONECT    8   12                                                                
+CONECT    9   11                                                                
+CONECT   10   11                                                                
+CONECT   11    2    9   10   12                                                 
+CONECT   12    7    8   11   14                                                 
+CONECT   13    1                                                                
+CONECT   14   12                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:59:04 2016, time step 0
+ATOM      1 C01 0non 01          5.890   6.513   5.890  0.00  0.00           C 0
+ATOM      2 C02 0non 01          7.139   5.629   5.890  0.00  0.00           C 0
+ATOM      3 H01 0non 01          5.890   7.142   5.000  0.00  0.00           H 0
+ATOM      4 H02 0non 01          5.890   7.142   6.780  0.00  0.00           H 0
+ATOM      5 H03 0non 01          7.139   5.000   5.000  0.00  0.00           H 0
+ATOM      6 H04 0non 01          7.139   5.000   6.780  0.00  0.00           H 0
+ATOM      7 H05 0non 01          9.638   5.000   6.780  0.00  0.00           H 0
+ATOM      8 H06 0non 01          9.638   5.000   5.000  0.00  0.00           H 0
+ATOM      9 H07 0non 01          8.389   7.142   6.780  0.00  0.00           H 0
+ATOM     10 H08 0non 01          8.389   7.142   5.000  0.00  0.00           H 0
+ATOM     11 C04 0non 01          8.389   6.513   5.890  0.00  0.00           C 0
+ATOM     12 C03 0non 01          9.638   5.629   5.890  0.00  0.00           C 0
+ATOM     13 H09 0non 01          5.000   5.883   5.890  0.00  0.00           H 0
+ATOM     14 H10 0non 01         10.528   6.259   5.890  0.00  0.00           H 0
+CONECT    1   13    3    4    2                                                 
+CONECT    2    1    5    6   11                                                 
+CONECT    3    1                                                                
+CONECT    4    1                                                                
+CONECT    5    2                                                                
+CONECT    6    2                                                                
+CONECT    7   12                                                                
+CONECT    8   12                                                                
+CONECT    9   11                                                                
+CONECT   10   11                                                                
+CONECT   11    2    9   10   12                                                 
+CONECT   12    7    8   11   14                                                 
+CONECT   13    1                                                                
+CONECT   14   12                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:59:04 2016, time step 0
+ATOM      1 C01 0non 01          5.890   6.513   5.890  0.00  0.00           C 0
+ATOM      2 C02 0non 01          7.139   5.629   5.890  0.00  0.00           C 0
+ATOM      3 H01 0non 01          5.890   7.142   5.000  0.00  0.00           H 0
+ATOM      4 H02 0non 01          5.890   7.142   6.780  0.00  0.00           H 0
+ATOM      5 H03 0non 01          7.139   5.000   5.000  0.00  0.00           H 0
+ATOM      6 H04 0non 01          7.139   5.000   6.780  0.00  0.00           H 0
+ATOM      7 H05 0non 01          9.638   5.000   6.780  0.00  0.00           H 0
+ATOM      8 H06 0non 01          9.638   5.000   5.000  0.00  0.00           H 0
+ATOM      9 H07 0non 01          8.389   7.142   6.780  0.00  0.00           H 0
+ATOM     10 H08 0non 01          8.389   7.142   5.000  0.00  0.00           H 0
+ATOM     11 C04 0non 01          8.389   6.513   5.890  0.00  0.00           C 0
+ATOM     12 C03 0non 01          9.638   5.629   5.890  0.00  0.00           C 0
+ATOM     13 H09 0non 01          5.000   5.883   5.890  0.00  0.00           H 0
+ATOM     14 H10 0non 01         10.528   6.259   5.890  0.00  0.00           H 0
+CONECT    1   13    3    4    2                                                 
+CONECT    2    1    5    6   11                                                 
+CONECT    3    1                                                                
+CONECT    4    1                                                                
+CONECT    5    2                                                                
+CONECT    6    2                                                                
+CONECT    7   12                                                                
+CONECT    8   12                                                                
+CONECT    9   11                                                                
+CONECT   10   11                                                                
+CONECT   11    2    9   10   12                                                 
+CONECT   12    7    8   11   14                                                 
+CONECT   13    1                                                                
+CONECT   14   12                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:59:04 2016, time step 0
+ATOM      1 C01 0non 01          5.890   6.513   5.890  0.00  0.00           C 0
+ATOM      2 C02 0non 01          7.139   5.629   5.890  0.00  0.00           C 0
+ATOM      3 H01 0non 01          5.890   7.142   5.000  0.00  0.00           H 0
+ATOM      4 H02 0non 01          5.890   7.142   6.780  0.00  0.00           H 0
+ATOM      5 H03 0non 01          7.139   5.000   5.000  0.00  0.00           H 0
+ATOM      6 H04 0non 01          7.139   5.000   6.780  0.00  0.00           H 0
+ATOM      7 H05 0non 01          9.638   5.000   6.780  0.00  0.00           H 0
+ATOM      8 H06 0non 01          9.638   5.000   5.000  0.00  0.00           H 0
+ATOM      9 H07 0non 01          8.389   7.142   6.780  0.00  0.00           H 0
+ATOM     10 H08 0non 01          8.389   7.142   5.000  0.00  0.00           H 0
+ATOM     11 C04 0non 01          8.389   6.513   5.890  0.00  0.00           C 0
+ATOM     12 C03 0non 01          9.638   5.629   5.890  0.00  0.00           C 0
+ATOM     13 H09 0non 01          5.000   5.883   5.890  0.00  0.00           H 0
+ATOM     14 H10 0non 01         10.528   6.259   5.890  0.00  0.00           H 0
+CONECT    1   13    3    4    2                                                 
+CONECT    2    1    5    6   11                                                 
+CONECT    3    1                                                                
+CONECT    4    1                                                                
+CONECT    5    2                                                                
+CONECT    6    2                                                                
+CONECT    7   12                                                                
+CONECT    8   12                                                                
+CONECT    9   11                                                                
+CONECT   10   11                                                                
+CONECT   11    2    9   10   12                                                 
+CONECT   12    7    8   11   14                                                 
+CONECT   13    1                                                                
+CONECT   14   12                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:59:05 2016, time step 0
+ATOM      1 C01 0non 01          5.890   6.513   5.890  0.00  0.00           C 0
+ATOM      2 C02 0non 01          7.139   5.629   5.890  0.00  0.00           C 0
+ATOM      3 H01 0non 01          5.890   7.142   5.000  0.00  0.00           H 0
+ATOM      4 H02 0non 01          5.890   7.142   6.780  0.00  0.00           H 0
+ATOM      5 H03 0non 01          7.139   5.000   5.000  0.00  0.00           H 0
+ATOM      6 H04 0non 01          7.139   5.000   6.780  0.00  0.00           H 0
+ATOM      7 H05 0non 01          9.638   5.000   6.780  0.00  0.00           H 0
+ATOM      8 H06 0non 01          9.638   5.000   5.000  0.00  0.00           H 0
+ATOM      9 H07 0non 01          8.389   7.142   6.780  0.00  0.00           H 0
+ATOM     10 H08 0non 01          8.389   7.142   5.000  0.00  0.00           H 0
+ATOM     11 C04 0non 01          8.389   6.513   5.890  0.00  0.00           C 0
+ATOM     12 C03 0non 01          9.638   5.629   5.890  0.00  0.00           C 0
+ATOM     13 H09 0non 01          5.000   5.883   5.890  0.00  0.00           H 0
+ATOM     14 H10 0non 01         10.528   6.259   5.890  0.00  0.00           H 0
+CONECT    1   13    3    4    2                                                 
+CONECT    2    1    5    6   11                                                 
+CONECT    3    1                                                                
+CONECT    4    1                                                                
+CONECT    5    2                                                                
+CONECT    6    2                                                                
+CONECT    7   12                                                                
+CONECT    8   12                                                                
+CONECT    9   11                                                                
+CONECT   10   11                                                                
+CONECT   11    2    9   10   12                                                 
+CONECT   12    7    8   11   14                                                 
+CONECT   13    1                                                                
+CONECT   14   12                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:59:05 2016, time step 0
+ATOM      1 C01 0non 01          5.890   6.513   5.890  0.00  0.00           C 0
+ATOM      2 C02 0non 01          7.139   5.629   5.890  0.00  0.00           C 0
+ATOM      3 H01 0non 01          5.890   7.142   5.000  0.00  0.00           H 0
+ATOM      4 H02 0non 01          5.890   7.142   6.780  0.00  0.00           H 0
+ATOM      5 H03 0non 01          7.139   5.000   5.000  0.00  0.00           H 0
+ATOM      6 H04 0non 01          7.139   5.000   6.780  0.00  0.00           H 0
+ATOM      7 H05 0non 01          9.638   5.000   6.780  0.00  0.00           H 0
+ATOM      8 H06 0non 01          9.638   5.000   5.000  0.00  0.00           H 0
+ATOM      9 H07 0non 01          8.389   7.142   6.780  0.00  0.00           H 0
+ATOM     10 H08 0non 01          8.389   7.142   5.000  0.00  0.00           H 0
+ATOM     11 C04 0non 01          8.389   6.513   5.890  0.00  0.00           C 0
+ATOM     12 C03 0non 01          9.638   5.629   5.890  0.00  0.00           C 0
+ATOM     13 H09 0non 01          5.000   5.883   5.890  0.00  0.00           H 0
+ATOM     14 H10 0non 01         10.528   6.259   5.890  0.00  0.00           H 0
+CONECT    1   13    3    4    2                                                 
+CONECT    2    1    5    6   11                                                 
+CONECT    3    1                                                                
+CONECT    4    1                                                                
+CONECT    5    2                                                                
+CONECT    6    2                                                                
+CONECT    7   12                                                                
+CONECT    8   12                                                                
+CONECT    9   11                                                                
+CONECT   10   11                                                                
+CONECT   11    2    9   10   12                                                 
+CONECT   12    7    8   11   14                                                 
+CONECT   13    1                                                                
+CONECT   14   12                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:59:05 2016, time step 0
+ATOM      1 C01 0non 01          5.890   6.513   5.890  0.00  0.00           C 0
+ATOM      2 C02 0non 01          7.139   5.629   5.890  0.00  0.00           C 0
+ATOM      3 H01 0non 01          5.890   7.142   5.000  0.00  0.00           H 0
+ATOM      4 H02 0non 01          5.890   7.142   6.780  0.00  0.00           H 0
+ATOM      5 H03 0non 01          7.139   5.000   5.000  0.00  0.00           H 0
+ATOM      6 H04 0non 01          7.139   5.000   6.780  0.00  0.00           H 0
+ATOM      7 H05 0non 01          9.638   5.000   6.780  0.00  0.00           H 0
+ATOM      8 H06 0non 01          9.638   5.000   5.000  0.00  0.00           H 0
+ATOM      9 H07 0non 01          8.389   7.142   6.780  0.00  0.00           H 0
+ATOM     10 H08 0non 01          8.389   7.142   5.000  0.00  0.00           H 0
+ATOM     11 C04 0non 01          8.389   6.513   5.890  0.00  0.00           C 0
+ATOM     12 C03 0non 01          9.638   5.629   5.890  0.00  0.00           C 0
+ATOM     13 H09 0non 01          5.000   5.883   5.890  0.00  0.00           H 0
+ATOM     14 H10 0non 01         10.528   6.259   5.890  0.00  0.00           H 0
+CONECT    1   13    3    4    2                                                 
+CONECT    2    1    5    6   11                                                 
+CONECT    3    1                                                                
+CONECT    4    1                                                                
+CONECT    5    2                                                                
+CONECT    6    2                                                                
+CONECT    7   12                                                                
+CONECT    8   12                                                                
+CONECT    9   11                                                                
+CONECT   10   11                                                                
+CONECT   11    2    9   10   12                                                 
+CONECT   12    7    8   11   14                                                 
+CONECT   13    1                                                                
+CONECT   14   12                                                                
+END
Index: tests/regression/Potential/FitPotential/pre/torsion_homology.dat
===================================================================
--- tests/regression/Potential/FitPotential/pre/torsion_homology.dat	(revision f5724f5e9fef76b193afb7727d363143bd251f59)
+++ tests/regression/Potential/FitPotential/pre/torsion_homology.dat	(revision e47ac71b3e565b9051aaee9368699525a439737e)
@@ -1,1203 +1,2 @@
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