COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  S   UNL     1      -2.556  -1.501   0.624  1.00  0.00           S  
HETATM    2  C   UNL     1      -4.130  -2.089  -0.072  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.074  -0.931  -0.219  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.545  -1.248  -0.301  1.00  0.00           C  
HETATM    5  CA  UNL     1      -4.729   0.334  -0.282  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.827   1.305  -0.445  1.00  0.00           C  
HETATM    7  O   UNL     1      -6.963   0.913  -0.626  1.00  0.00           O  
HETATM    8  OXT UNL     1      -5.571   2.627  -0.395  1.00  0.00           O  
HETATM    9  N   UNL     1      -3.446   0.860  -0.210  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.266  -0.002  -0.371  1.00  0.00           C  
HETATM   11  CA  UNL     1      -1.017   0.724   0.133  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.211   1.115   1.576  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.458   0.696   2.421  1.00  0.00           O  
HETATM   14  N   UNL     1       0.143  -0.163   0.020  1.00  0.00           N  
HETATM   15  C   UNL     1       1.381   0.357  -0.089  1.00  0.00           C  
HETATM   16  O   UNL     1       1.536   1.563  -0.093  1.00  0.00           O  
HETATM   17  C   UNL     1       2.555  -0.540  -0.204  1.00  0.00           C  
HETATM   18  N   UNL     1       2.383  -1.833  -0.295  1.00  0.00           N  
HETATM   19  O   UNL     1       3.505  -2.697  -0.317  1.00  0.00           O  
HETATM   20  C   UNL     1       3.170  -4.082  -0.419  1.00  0.00           C  
HETATM   21  C   UNL     1       3.913   0.023  -0.217  1.00  0.00           C  
HETATM   22  C   UNL     1       4.917  -0.631   0.372  1.00  0.00           C  
HETATM   23  S   UNL     1       6.385   0.336   0.159  1.00  0.00           S  
HETATM   24  C   UNL     1       5.559   1.669  -0.769  1.00  0.00           C  
HETATM   25  N   UNL     1       5.667   2.944  -0.047  1.00  0.00           N  
HETATM   26  N   UNL     1       4.160   1.231  -0.843  1.00  0.00           N  
HETATM   27  H   UNL     1      -3.950  -2.538  -1.049  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.567  -2.832   0.595  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.688  -2.327  -0.237  1.00  0.00           H  
HETATM   30  H   UNL     1      -7.068  -0.762   0.522  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.942  -0.885  -1.249  1.00  0.00           H  
HETATM   32  HXT UNL     1      -6.323   3.225  -0.508  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.326   1.810  -0.052  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.142  -0.271  -1.420  1.00  0.00           H  
HETATM   35  HA  UNL     1      -0.850   1.619  -0.466  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.024   1.770   1.853  1.00  0.00           H  
HETATM   37  H   UNL     1       0.020  -1.125   0.023  1.00  0.00           H  
HETATM   38  H   UNL     1       2.558  -4.372   0.435  1.00  0.00           H  
HETATM   39  H   UNL     1       2.613  -4.255  -1.340  1.00  0.00           H  
HETATM   40  H   UNL     1       4.083  -4.677  -0.430  1.00  0.00           H  
HETATM   41  H   UNL     1       4.847  -1.579   0.886  1.00  0.00           H  
HETATM   42  H   UNL     1       5.983   1.759  -1.769  1.00  0.00           H  
HETATM   43  H   UNL     1       6.633   3.217   0.062  1.00  0.00           H  
HETATM   44  H   UNL     1       5.138   3.668  -0.510  1.00  0.00           H  
HETATM   45  H   UNL     1       3.468   1.745  -1.289  1.00  0.00           H  
CONECT    1    2   10                                                 
CONECT    2    1    3   27   28                                       
CONECT    3    2    4    5    5                                       
CONECT    4    3   29   30   31                                       
CONECT    5    3    3    6    9                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6   32                                                 
CONECT    9    5   10   33                                            
CONECT   10    1    9   11   34                                       
CONECT   11   10   12   14   35                                       
CONECT   12   11   13   13   36                                       
CONECT   13   12   12                                                 
CONECT   14   11   15   37                                            
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   18   21                                       
CONECT   18   17   17   19                                            
CONECT   19   18   20                                                 
CONECT   20   19   38   39   40                                       
CONECT   21   17   22   22   26                                       
CONECT   22   21   21   23   41                                       
CONECT   23   22   24                                                 
CONECT   24   23   25   26   42                                       
CONECT   25   24   43   44                                            
CONECT   26   21   24   45                                            
CONECT   27    2                                                      
CONECT   28    2                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   14                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
CONECT   41   22                                                      
CONECT   42   24                                                      
CONECT   43   25                                                      
CONECT   44   25                                                      
CONECT   45   26                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
