COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.558  -3.288  -0.275  1.00  0.00           C  
HETATM    2  C   UNL     1       1.340  -4.448   0.698  1.00  0.00           C  
HETATM    3  C   UNL     1       1.965  -5.721   0.122  1.00  0.00           C  
HETATM    4  C   UNL     1       3.466  -5.503  -0.084  1.00  0.00           C  
HETATM    5  C   UNL     1       3.684  -4.343  -1.057  1.00  0.00           C  
HETATM    6  C   UNL     1       3.058  -3.070  -0.481  1.00  0.00           C  
HETATM    7  C   UNL     1       3.276  -1.910  -1.454  1.00  0.00           C  
HETATM    8  N   UNL     1       2.834  -0.660  -0.830  1.00  0.00           N  
HETATM    9  C   UNL     1       3.510  -0.160   0.369  1.00  0.00           C  
HETATM   10  C   UNL     1       4.741   0.651  -0.040  1.00  0.00           C  
HETATM   11  C   UNL     1       5.448   1.173   1.212  1.00  0.00           C  
HETATM   12  C   UNL     1       6.660   1.973   0.809  1.00  0.00           C  
HETATM   13  C   UNL     1       6.571   3.306   0.676  1.00  0.00           C  
HETATM   14  C   UNL     1       5.286   4.014   1.022  1.00  0.00           C  
HETATM   15  O   UNL     1       7.633   4.013   0.233  1.00  0.00           O  
HETATM   16  C   UNL     1       7.894   1.317   0.570  1.00  0.00           C  
HETATM   17  N   UNL     1       7.954   0.019   0.589  1.00  0.00           N  
HETATM   18  C   UNL     1       9.229  -0.658   0.342  1.00  0.00           C  
HETATM   19  S   UNL     1       1.569   0.187  -1.481  1.00  0.00           S  
HETATM   20  O   UNL     1       1.769   1.547  -1.121  1.00  0.00           O  
HETATM   21  O   UNL     1       1.443  -0.250  -2.828  1.00  0.00           O  
HETATM   22  C   UNL     1       0.107  -0.337  -0.649  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.268   0.266   0.537  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.414  -0.145   1.190  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.669  -1.347  -1.186  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.816  -1.759  -0.533  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.187  -1.160   0.656  1.00  0.00           C  
HETATM   28  S   UNL     1      -3.649  -1.684   1.488  1.00  0.00           S  
HETATM   29  O   UNL     1      -3.829  -3.055   1.159  1.00  0.00           O  
HETATM   30  O   UNL     1      -3.542  -1.213   2.824  1.00  0.00           O  
HETATM   31  N   UNL     1      -4.920  -0.870   0.806  1.00  0.00           N  
HETATM   32  C   UNL     1      -5.515  -1.354  -0.442  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.303  -0.321  -1.562  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.707   0.111  -2.035  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.624  -0.189  -0.824  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.040  -1.515  -0.272  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.449   0.335   1.451  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.739   1.548   0.908  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.550   1.966   1.477  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.899   3.078   0.980  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.437   3.774  -0.089  1.00  0.00           C  
HETATM   42 CL   UNL     1      -2.618   5.172  -0.714  1.00  0.00          Cl  
HETATM   43  C   UNL     1      -4.626   3.356  -0.658  1.00  0.00           C  
HETATM   44  C   UNL     1      -5.274   2.240  -0.163  1.00  0.00           C  
HETATM   45  H   UNL     1       1.090  -3.522  -1.231  1.00  0.00           H  
HETATM   46  H   UNL     1       1.112  -2.381   0.135  1.00  0.00           H  
HETATM   47  H   UNL     1       1.808  -4.214   1.654  1.00  0.00           H  
HETATM   48  H   UNL     1       0.271  -4.603   0.845  1.00  0.00           H  
HETATM   49  H   UNL     1       1.810  -6.548   0.815  1.00  0.00           H  
HETATM   50  H   UNL     1       1.497  -5.955  -0.834  1.00  0.00           H  
HETATM   51  H   UNL     1       3.934  -5.269   0.872  1.00  0.00           H  
HETATM   52  H   UNL     1       3.911  -6.410  -0.495  1.00  0.00           H  
HETATM   53  H   UNL     1       4.753  -4.188  -1.204  1.00  0.00           H  
HETATM   54  H   UNL     1       3.216  -4.577  -2.013  1.00  0.00           H  
HETATM   55  H   UNL     1       3.526  -2.836   0.475  1.00  0.00           H  
HETATM   56  H   UNL     1       4.336  -1.837  -1.701  1.00  0.00           H  
HETATM   57  H   UNL     1       2.702  -2.085  -2.364  1.00  0.00           H  
HETATM   58  H   UNL     1       2.827   0.475   0.933  1.00  0.00           H  
HETATM   59  H   UNL     1       3.820  -1.002   0.989  1.00  0.00           H  
HETATM   60  H   UNL     1       5.424   0.016  -0.604  1.00  0.00           H  
HETATM   61  H   UNL     1       4.431   1.493  -0.660  1.00  0.00           H  
HETATM   62  H   UNL     1       4.765   1.809   1.777  1.00  0.00           H  
HETATM   63  H   UNL     1       5.757   0.332   1.832  1.00  0.00           H  
HETATM   64  H   UNL     1       4.575   3.297   1.432  1.00  0.00           H  
HETATM   65  H   UNL     1       5.486   4.790   1.761  1.00  0.00           H  
HETATM   66  H   UNL     1       4.868   4.467   0.123  1.00  0.00           H  
HETATM   67  H   UNL     1       8.383   3.467  -0.038  1.00  0.00           H  
HETATM   68  H   UNL     1       8.783   1.897   0.372  1.00  0.00           H  
HETATM   69  H   UNL     1       9.596  -0.392  -0.650  1.00  0.00           H  
HETATM   70  H   UNL     1       9.956  -0.350   1.093  1.00  0.00           H  
HETATM   71  H   UNL     1       9.085  -1.737   0.398  1.00  0.00           H  
HETATM   72  H   UNL     1       0.336   1.058   0.954  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.707   0.325   2.117  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.379  -1.815  -2.115  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.422  -2.548  -0.953  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.069  -2.307  -0.723  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.757   0.540  -1.178  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.753  -0.774  -2.388  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.719   1.175  -2.269  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.013  -0.473  -2.903  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.553   0.604  -0.080  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.656  -0.327  -1.147  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.402  -2.363  -0.854  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.297  -1.636   0.780  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.516   0.417   1.247  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.288   0.271   2.527  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.131   1.423   2.311  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.971   3.405   1.425  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.046   3.899  -1.492  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.200   1.910  -0.610  1.00  0.00           H  
CONECT    1    6    2   45   46                                       
CONECT    2    1    3   47   48                                       
CONECT    3    4    2   49   50                                       
CONECT    4    5    3   51   52                                       
CONECT    5    6    4   53   54                                       
CONECT    6    7    5    1   55                                       
CONECT    7    8    6   56   57                                       
CONECT    8   19    9    7                                            
CONECT    9   10    8   58   59                                       
CONECT   10   11    9   60   61                                       
CONECT   11   12   10   62   63                                       
CONECT   12   13   13   11   16                                       
CONECT   13   14   15   12   12                                       
CONECT   14   13   64   65   66                                       
CONECT   15   13   67                                                 
CONECT   16   12   17   17   68                                       
CONECT   17   16   16   18                                            
CONECT   18   17   69   70   71                                       
CONECT   19   21   21   20   20                                       
CONECT   19    8   22                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22   19   25   25   23                                       
CONECT   23   22   24   24   72                                       
CONECT   24   23   23   27   73                                       
CONECT   25   22   22   26   74                                       
CONECT   26   25   27   27   75                                       
CONECT   27   26   26   24   28                                       
CONECT   28   27   31   30   30                                       
CONECT   28   29   29                                                 
CONECT   29   28   28                                                 
CONECT   30   28   28                                                 
CONECT   31   32   37   28                                            
CONECT   32   36   33   31   76                                       
CONECT   33   34   32   77   78                                       
CONECT   34   35   33   79   80                                       
CONECT   35   34   36   81   82                                       
CONECT   36   35   32   83   84                                       
CONECT   37   31   38   85   86                                       
CONECT   38   37   39   39   44                                       
CONECT   39   38   38   40   87                                       
CONECT   40   39   41   41   88                                       
CONECT   41   40   40   43   42                                       
CONECT   42   41                                                      
CONECT   43   44   44   41   89                                       
CONECT   44   38   43   43   90                                       
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    5                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57    7                                                      
CONECT   58    9                                                      
CONECT   59    9                                                      
CONECT   60   10                                                      
CONECT   61   10                                                      
CONECT   62   11                                                      
CONECT   63   11                                                      
CONECT   64   14                                                      
CONECT   65   14                                                      
CONECT   66   14                                                      
CONECT   67   15                                                      
CONECT   68   16                                                      
CONECT   69   18                                                      
CONECT   70   18                                                      
CONECT   71   18                                                      
CONECT   72   23                                                      
CONECT   73   24                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   34                                                      
CONECT   81   35                                                      
CONECT   82   35                                                      
CONECT   83   36                                                      
CONECT   84   36                                                      
CONECT   85   37                                                      
CONECT   86   37                                                      
CONECT   87   39                                                      
CONECT   88   40                                                      
CONECT   89   43                                                      
CONECT   90   44                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
