COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.864   2.286   0.396  1.00  0.00           C  
HETATM    2  C   UNL     1       6.436   2.072  -0.033  1.00  0.00           C  
HETATM    3  O   UNL     1       5.839   2.954  -0.613  1.00  0.00           O  
HETATM    4  C   UNL     1       8.317   3.688  -0.017  1.00  0.00           C  
HETATM    5  S   UNL     1      10.036   3.945   0.500  1.00  0.00           S  
HETATM    6  N   UNL     1       4.912  -1.705  -0.323  1.00  0.00           N  
HETATM    7  C   UNL     1       3.981  -0.709   0.223  1.00  0.00           C  
HETATM    8  C   UNL     1       2.596  -0.969  -0.313  1.00  0.00           C  
HETATM    9  O   UNL     1       2.450  -1.627  -1.321  1.00  0.00           O  
HETATM   10  C   UNL     1       4.433   0.693  -0.191  1.00  0.00           C  
HETATM   11  N   UNL     1       5.822   0.901   0.227  1.00  0.00           N  
HETATM   12  N   UNL     1       1.521  -0.469   0.328  1.00  0.00           N  
HETATM   13  C   UNL     1       0.175  -0.721  -0.193  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.755   0.371   0.268  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.335   1.272   0.963  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.327  -2.071   0.324  1.00  0.00           C  
HETATM   17  C   UNL     1       0.545  -3.192  -0.246  1.00  0.00           C  
HETATM   18  C   UNL     1       0.042  -4.541   0.271  1.00  0.00           C  
HETATM   19  N   UNL     1       0.877  -5.615  -0.275  1.00  0.00           N  
HETATM   20  C   UNL     1       0.615  -6.917   0.051  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.398  -7.210   0.864  1.00  0.00           N  
HETATM   22  N   UNL     1       1.374  -7.893  -0.446  1.00  0.00           N1+
HETATM   23  N   UNL     1      -2.053   0.347  -0.093  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.958   1.409   0.356  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.342   1.149  -0.181  1.00  0.00           C  
HETATM   26  O   UNL     1      -4.552   0.174  -0.869  1.00  0.00           O  
HETATM   27  N   UNL     1      -5.346   2.002   0.105  1.00  0.00           N  
HETATM   28  C   UNL     1      -6.692   1.749  -0.416  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.804   2.312  -1.809  1.00  0.00           C  
HETATM   30  O   UNL     1      -5.854   2.868  -2.317  1.00  0.00           O  
HETATM   31  C   UNL     1      -7.724   2.422   0.491  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.695   1.765   1.872  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.637   2.518   2.814  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.149   0.309   1.754  1.00  0.00           C  
HETATM   35  N   UNL     1      -7.961   2.196  -2.491  1.00  0.00           N  
HETATM   36  H   UNL     1       7.937   2.186   1.480  1.00  0.00           H  
HETATM   37  H   UNL     1       8.503   1.543  -0.081  1.00  0.00           H  
HETATM   38  H   UNL     1       8.244   3.788  -1.100  1.00  0.00           H  
HETATM   39  H   UNL     1       7.679   4.431   0.460  1.00  0.00           H  
HETATM   40  H   UNL     1      10.295   5.196   0.078  1.00  0.00           H  
HETATM   41  H   UNL     1       4.672  -2.634  -0.010  1.00  0.00           H  
HETATM   42  H   UNL     1       4.941  -1.659  -1.330  1.00  0.00           H  
HETATM   43  H   UNL     1       3.969  -0.780   1.311  1.00  0.00           H  
HETATM   44  H   UNL     1       4.361   0.793  -1.273  1.00  0.00           H  
HETATM   45  H   UNL     1       3.795   1.436   0.287  1.00  0.00           H  
HETATM   46  H   UNL     1       6.300   0.196   0.691  1.00  0.00           H  
HETATM   47  H   UNL     1       1.638   0.058   1.134  1.00  0.00           H  
HETATM   48  H   UNL     1       0.205  -0.738  -1.283  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.273  -2.086   1.412  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.360  -2.218   0.009  1.00  0.00           H  
HETATM   51  H   UNL     1       0.490  -3.177  -1.335  1.00  0.00           H  
HETATM   52  H   UNL     1       1.578  -3.044   0.068  1.00  0.00           H  
HETATM   53  H   UNL     1       0.097  -4.556   1.359  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.991  -4.689  -0.044  1.00  0.00           H  
HETATM   55  H   UNL     1       1.615  -5.402  -0.868  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.951  -6.499   1.225  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.583  -8.133   1.095  1.00  0.00           H  
HETATM   58  H   UNL     1       2.112  -7.680  -1.038  1.00  0.00           H  
HETATM   59  H   UNL     1       1.189  -8.816  -0.215  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.389  -0.373  -0.649  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.987   1.425   1.445  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.600   2.371  -0.013  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.178   2.782   0.656  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.876   0.675  -0.441  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.487   3.482   0.587  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.717   2.310   0.056  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.681   1.799   2.269  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.652   2.484   2.417  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.616   2.050   3.799  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.314   3.556   2.899  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.478  -0.227   1.082  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.128  -0.159   2.738  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.164   0.276   1.357  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.721   1.751  -2.085  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.034   2.558  -3.388  1.00  0.00           H  
CONECT    1    2    4   36   37                                       
CONECT    2    1    3    3   11                                       
CONECT    3    2    2                                                 
CONECT    4    1    5   38   39                                       
CONECT    5    4   40                                                 
CONECT    6    7   41   42                                            
CONECT    7    6    8   10   43                                       
CONECT    8    7    9    9   12                                       
CONECT    9    8    8                                                 
CONECT   10    7   11   44   45                                       
CONECT   11   10   46    2                                            
CONECT   12   13   47    8                                            
CONECT   13   12   14   16   48                                       
CONECT   14   13   15   15   23                                       
CONECT   15   14   14                                                 
CONECT   16   13   17   49   50                                       
CONECT   17   16   18   51   52                                       
CONECT   18   17   19   53   54                                       
CONECT   19   18   20   55                                            
CONECT   20   19   21   22   22                                       
CONECT   21   20   56   57                                            
CONECT   22   20   20   58   59                                       
CONECT   23   24   60   14                                            
CONECT   24   23   25   61   62                                       
CONECT   25   24   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   28   63   25                                            
CONECT   28   27   29   31   64                                       
CONECT   29   28   30   30   35                                       
CONECT   30   29   29                                                 
CONECT   31   28   32   65   66                                       
CONECT   32   31   33   34   67                                       
CONECT   33   32   68   69   70                                       
CONECT   34   32   71   72   73                                       
CONECT   35   74   75   29                                            
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   24                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   31                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   33                                                      
CONECT   69   33                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   34                                                      
CONECT   73   34                                                      
CONECT   74   35                                                      
CONECT   75   35                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
