COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.363  -0.193   7.283  1.00  0.00           C  
HETATM    2  S   UNL     1      -0.299  -1.427   8.611  1.00  0.00           S  
HETATM    3  C   UNL     1       0.362   0.334   4.952  1.00  0.00           C  
HETATM    4  N   UNL     1       1.815  -0.943   6.453  1.00  0.00           N  
HETATM    5  C   UNL     1       0.416  -0.706   6.071  1.00  0.00           C  
HETATM    6  N   UNL     1       1.110  -0.158   3.788  1.00  0.00           N  
HETATM    7  C   UNL     1       0.948   0.843   2.726  1.00  0.00           C  
HETATM    8  C   UNL     1       2.322   1.378   2.316  1.00  0.00           C  
HETATM    9  C   UNL     1       2.944   2.139   3.488  1.00  0.00           C  
HETATM   10  C   UNL     1       3.229   0.209   1.928  1.00  0.00           C  
HETATM   11  C   UNL     1       4.603   0.744   1.517  1.00  0.00           C  
HETATM   12  C   UNL     1       0.270   0.198   1.516  1.00  0.00           C  
HETATM   13  O   UNL     1       0.112   1.173   0.483  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.523   0.514  -0.613  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.042   0.635  -0.470  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.478  -0.005   0.821  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.541   0.747   1.979  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.820  -1.344   0.848  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.940   0.160   3.165  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.216  -1.932   2.034  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.278  -1.180   3.192  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.087   1.154  -1.906  1.00  0.00           C  
HETATM   23  O   UNL     1       0.690   2.084  -1.889  1.00  0.00           O  
HETATM   24  N   UNL     1      -0.562   0.694  -3.080  1.00  0.00           N  
HETATM   25  CA  UNL     1      -0.139   1.317  -4.336  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.156   0.273  -5.454  1.00  0.00           C  
HETATM   27  C   UNL     1       0.800  -0.867  -5.102  1.00  0.00           C  
HETATM   28  S   UNL     1       0.780  -2.105  -6.428  1.00  0.00           S  
HETATM   29  O   UNL     1      -0.503  -2.713  -6.472  1.00  0.00           O  
HETATM   30  O   UNL     1       1.325  -1.529  -7.607  1.00  0.00           O  
HETATM   31  C   UNL     1       1.971  -3.290  -5.745  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.082   2.440  -4.683  1.00  0.00           C  
HETATM   33  O   UNL     1      -2.367   2.380  -4.301  1.00  0.00           O  
HETATM   34  OXT UNL     1      -0.681   3.395  -5.306  1.00  0.00           O  
HETATM   35  H   UNL     1       0.080   0.739   7.632  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.401  -0.018   7.000  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.023  -0.796   9.552  1.00  0.00           H  
HETATM   38  H   UNL     1       0.805   1.266   5.301  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.675   0.509   4.668  1.00  0.00           H  
HETATM   40  H   UNL     1       2.183  -0.057   6.768  1.00  0.00           H  
HETATM   41  H   UNL     1       1.797  -1.552   7.257  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.027  -1.639   5.722  1.00  0.00           H  
HETATM   43  H   UNL     1       0.640  -0.993   3.473  1.00  0.00           H  
HETATM   44  H   UNL     1       0.333   1.664   3.093  1.00  0.00           H  
HETATM   45  H   UNL     1       2.210   2.050   1.464  1.00  0.00           H  
HETATM   46  H   UNL     1       3.155   1.444   4.301  1.00  0.00           H  
HETATM   47  H   UNL     1       3.870   2.612   3.164  1.00  0.00           H  
HETATM   48  H   UNL     1       2.248   2.903   3.835  1.00  0.00           H  
HETATM   49  H   UNL     1       2.786  -0.332   1.092  1.00  0.00           H  
HETATM   50  H   UNL     1       3.340  -0.462   2.779  1.00  0.00           H  
HETATM   51  H   UNL     1       5.249  -0.088   1.241  1.00  0.00           H  
HETATM   52  H   UNL     1       4.491   1.416   0.666  1.00  0.00           H  
HETATM   53  H   UNL     1       5.046   1.286   2.352  1.00  0.00           H  
HETATM   54  H   UNL     1       0.885  -0.622   1.149  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.708  -0.182   1.808  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.242  -0.538  -0.616  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.323   1.688  -0.467  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.527   0.132  -1.307  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.277   1.794   1.957  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.771  -1.931  -0.056  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.989   0.747   4.069  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.479  -2.980   2.056  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.589  -1.639   4.119  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.185  -0.049  -3.093  1.00  0.00           H  
HETATM   65  HA  UNL     1       0.870   1.712  -4.223  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.166  -0.121  -5.567  1.00  0.00           H  
HETATM   67  H   UNL     1       0.158   0.736  -6.389  1.00  0.00           H  
HETATM   68  H   UNL     1       1.810  -0.472  -4.989  1.00  0.00           H  
HETATM   69  H   UNL     1       0.485  -1.330  -4.167  1.00  0.00           H  
HETATM   70  H   UNL     1       2.086  -4.127  -6.434  1.00  0.00           H  
HETATM   71  H   UNL     1       2.934  -2.798  -5.607  1.00  0.00           H  
HETATM   72  H   UNL     1       1.609  -3.657  -4.784  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.972   3.101  -4.523  1.00  0.00           H  
CONECT    1    2    5   35   36                                       
CONECT    2    1   37                                                 
CONECT    3    5    6   38   39                                       
CONECT    4    5   40   41                                            
CONECT    5    1    3    4   42                                       
CONECT    6    3    7   43                                            
CONECT    7    6    8   12   44                                       
CONECT    8    7    9   10   45                                       
CONECT    9    8   46   47   48                                       
CONECT   10    8   11   49   50                                       
CONECT   11   10   51   52   53                                       
CONECT   12    7   13   54   55                                       
CONECT   13   12   14                                                 
CONECT   14   13   15   22   56                                       
CONECT   15   14   16   57   58                                       
CONECT   16   15   17   17   18                                       
CONECT   17   16   16   19   59                                       
CONECT   18   16   20   20   60                                       
CONECT   19   17   21   21   61                                       
CONECT   20   18   18   21   62                                       
CONECT   21   19   19   20   63                                       
CONECT   22   14   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   64                                            
CONECT   25   24   26   32   65                                       
CONECT   26   25   27   66   67                                       
CONECT   27   26   28   68   69                                       
CONECT   28   27   29   29   30                                       
CONECT   28   30   31                                                 
CONECT   29   28   28                                                 
CONECT   30   28   28                                                 
CONECT   31   28   70   71   72                                       
CONECT   32   25   33   34   34                                       
CONECT   33   32   73                                                 
CONECT   34   32   32                                                 
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   27                                                      
CONECT   70   31                                                      
CONECT   71   31                                                      
CONECT   72   31                                                      
CONECT   73   33                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
