COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.082  -0.270  -0.087  1.00  0.00           C  
HETATM    2  N   UNL     1      -4.877   1.773   0.440  1.00  0.00           N  
HETATM    3  C   UNL     1       1.337  -0.165   0.047  1.00  0.00           C  
HETATM    4  C   UNL     1       2.593   0.584  -0.320  1.00  0.00           C  
HETATM    5  C   UNL     1       3.815  -0.236   0.098  1.00  0.00           C  
HETATM    6  C   UNL     1       5.090   0.524  -0.273  1.00  0.00           C  
HETATM    7  S   UNL     1       6.539  -0.448   0.222  1.00  0.00           S  
HETATM    8  C   UNL     1       7.928   0.599  -0.293  1.00  0.00           C  
HETATM    9  CA  UNL     1      -4.830   0.530  -0.341  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.608  -0.290   0.077  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.111  -0.350   0.123  1.00  0.00           C  
HETATM   12  N   UNL     1       0.110   0.378  -0.233  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.333   0.470  -0.295  1.00  0.00           C  
HETATM   14  OXT UNL     1      -6.461  -1.218  -0.959  1.00  0.00           O  
HETATM   15  O   UNL     1      -6.742  -0.062   0.903  1.00  0.00           O  
HETATM   16  N   UNL     1       1.417  -1.319   0.625  1.00  0.00           N  
HETATM   17  H1  UNL     1      -4.941   1.577   1.428  1.00  0.00           H  
HETATM   18  H2  UNL     1      -4.079   2.357   0.239  1.00  0.00           H  
HETATM   19  H   UNL     1       2.616   0.748  -1.397  1.00  0.00           H  
HETATM   20  H   UNL     1       2.606   1.544   0.195  1.00  0.00           H  
HETATM   21  H   UNL     1       3.791  -0.400   1.176  1.00  0.00           H  
HETATM   22  H   UNL     1       3.802  -1.197  -0.416  1.00  0.00           H  
HETATM   23  H   UNL     1       5.114   0.688  -1.351  1.00  0.00           H  
HETATM   24  H   UNL     1       5.103   1.485   0.241  1.00  0.00           H  
HETATM   25  H   UNL     1       7.881   0.761  -1.370  1.00  0.00           H  
HETATM   26  H   UNL     1       7.871   1.558   0.222  1.00  0.00           H  
HETATM   27  H   UNL     1       8.867   0.107  -0.040  1.00  0.00           H  
HETATM   28  HA  UNL     1      -4.761   0.770  -1.402  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.632  -0.454   1.155  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.622  -1.251  -0.437  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.124  -1.311  -0.391  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.135  -0.514   1.201  1.00  0.00           H  
HETATM   33  H   UNL     1       0.050   1.243  -0.666  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.309   0.634  -1.372  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.319   1.431   0.220  1.00  0.00           H  
HETATM   36  HXT UNL     1      -7.271  -1.704  -0.753  1.00  0.00           H  
HETATM   37  H   UNL     1       2.286  -1.703   0.822  1.00  0.00           H  
CONECT    1   15   15    9   14                                       
CONECT    2    9   17   18                                            
CONECT    3   16   16   12    4                                       
CONECT    4    3    5   19   20                                       
CONECT    5    4    6   21   22                                       
CONECT    6    5    7   23   24                                       
CONECT    7    6    8                                                 
CONECT    8    7   25   26   27                                       
CONECT    9    1    2   10   28                                       
CONECT   10    9   13   29   30                                       
CONECT   11   13   12   31   32                                       
CONECT   12    3   11   33                                            
CONECT   13   10   11   34   35                                       
CONECT   14    1   36                                                 
CONECT   15    1    1                                                 
CONECT   16    3    3   37                                            
CONECT   17    2                                                      
CONECT   18    2                                                      
CONECT   19    4                                                      
CONECT   20    4                                                      
CONECT   21    5                                                      
CONECT   22    5                                                      
CONECT   23    6                                                      
CONECT   24    6                                                      
CONECT   25    8                                                      
CONECT   26    8                                                      
CONECT   27    8                                                      
CONECT   28    9                                                      
CONECT   29   10                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   16                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
