COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -9.679   0.153   1.893  1.00  0.00           N  
HETATM    2  C   UNL     1      -9.681   1.470   1.243  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.401   1.650   0.469  1.00  0.00           C  
HETATM    4  O   UNL     1      -8.406   2.264  -0.577  1.00  0.00           O  
HETATM    5  C   UNL     1     -10.873   1.567   0.289  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.791   2.564   2.308  1.00  0.00           C  
HETATM    7  N   UNL     1      -7.250   1.129   0.938  1.00  0.00           N  
HETATM    8  C   UNL     1      -6.006   1.303   0.185  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.050   0.190   0.528  1.00  0.00           C  
HETATM   10  O   UNL     1      -4.909  -0.154   1.683  1.00  0.00           O  
HETATM   11  C   UNL     1      -5.374   2.648   0.549  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.100   2.852  -0.273  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.363   3.775   0.246  1.00  0.00           C  
HETATM   14  N   UNL     1      -4.353  -0.425  -0.448  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.068  -1.281  -0.616  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.025  -2.821  -0.813  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.489  -1.564  -0.125  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.100  -2.278   0.025  1.00  0.00           C  
HETATM   19  C   UNL     1       0.306  -1.744  -0.070  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.019  -1.416  -2.037  1.00  0.00           O  
HETATM   21  O   UNL     1       0.503  -0.627  -0.501  1.00  0.00           O  
HETATM   22  C   UNL     1      -5.501  -3.008  -0.455  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.359  -2.096  -1.334  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.228  -4.039  -0.343  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.458   0.046  -1.831  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.023  -0.605  -2.664  1.00  0.00           C  
HETATM   27  C   UNL     1       2.535  -4.058   1.711  1.00  0.00           C  
HETATM   28  C   UNL     1       5.136  -1.310  -2.627  1.00  0.00           C  
HETATM   29  C   UNL     1       4.643  -1.372  -1.180  1.00  0.00           C  
HETATM   30  C   UNL     1       2.478  -2.829  -3.221  1.00  0.00           C  
HETATM   31  C   UNL     1       4.745  -0.005  -0.555  1.00  0.00           C  
HETATM   32  N   UNL     1       1.345  -2.507   0.324  1.00  0.00           N  
HETATM   33  C   UNL     1       2.761  -2.113   0.286  1.00  0.00           C  
HETATM   34  C   UNL     1       3.579  -3.290   0.858  1.00  0.00           C  
HETATM   35  C   UNL     1       1.249  -3.875   0.866  1.00  0.00           C  
HETATM   36  C   UNL     1       3.186  -1.837  -1.157  1.00  0.00           C  
HETATM   37  O   UNL     1       3.054  -3.032  -1.929  1.00  0.00           O  
HETATM   38  O   UNL     1       3.740   0.637  -0.333  1.00  0.00           O  
HETATM   39  N   UNL     1       5.355   3.971  -0.691  1.00  0.00           N  
HETATM   40  N   UNL     1       5.952   0.506  -0.243  1.00  0.00           N  
HETATM   41  C   UNL     1       6.051   1.835   0.365  1.00  0.00           C  
HETATM   42  C   UNL     1       7.350   1.934   1.168  1.00  0.00           C  
HETATM   43  C   UNL     1       7.299   0.970   2.325  1.00  0.00           C  
HETATM   44  C   UNL     1       6.049   2.883  -0.718  1.00  0.00           C  
HETATM   45  C   UNL     1       7.766  -0.322   2.168  1.00  0.00           C  
HETATM   46  C   UNL     1       7.720  -1.207   3.230  1.00  0.00           C  
HETATM   47  C   UNL     1       7.207  -0.799   4.447  1.00  0.00           C  
HETATM   48  C   UNL     1       6.740   0.493   4.603  1.00  0.00           C  
HETATM   49  C   UNL     1       6.792   1.379   3.544  1.00  0.00           C  
HETATM   50  S   UNL     1       6.965   2.804  -2.159  1.00  0.00           S  
HETATM   51  C   UNL     1       6.307   4.355  -2.674  1.00  0.00           C  
HETATM   52  C   UNL     1       5.470   4.782  -1.723  1.00  0.00           C  
HETATM   53  H   UNL     1      -9.608  -0.587   1.211  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.939   0.088   2.576  1.00  0.00           H  
HETATM   55  H   UNL     1     -11.798   1.437   0.849  1.00  0.00           H  
HETATM   56  H   UNL     1     -10.874   2.544  -0.194  1.00  0.00           H  
HETATM   57  H   UNL     1     -10.794   0.788  -0.470  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.942   2.496   2.988  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.792   3.542   1.826  1.00  0.00           H  
HETATM   60  H   UNL     1     -10.717   2.434   2.868  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.246   0.637   1.775  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.221   1.281  -0.883  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.126   2.658   1.611  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.332   2.752  -1.334  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.699   3.848  -0.082  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.361   2.103   0.009  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.270   3.630   0.832  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.912   4.733   0.506  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.610   3.766  -0.815  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.782  -0.267  -0.337  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.924  -2.715  -1.893  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.478  -1.717   0.954  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.365  -2.420   1.072  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.162  -3.232  -0.498  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.786  -4.047  -0.622  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.656  -2.752   0.594  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.338  -1.082  -0.935  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.964  -2.095  -2.350  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.386  -2.461  -1.344  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.814  -4.943  -0.508  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.296  -4.102  -0.904  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.006  -3.940   0.720  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.778   0.885  -1.982  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.193  -0.763  -2.511  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.481   0.367  -2.029  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.060  -0.753  -3.743  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.210   0.444  -2.434  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.038  -0.889  -2.293  1.00  0.00           H  
HETATM   89  H   UNL     1       2.799  -5.112   1.796  1.00  0.00           H  
HETATM   90  H   UNL     1       2.423  -3.604   2.695  1.00  0.00           H  
HETATM   91  H   UNL     1       4.453  -0.699  -3.217  1.00  0.00           H  
HETATM   92  H   UNL     1       6.132  -0.868  -2.653  1.00  0.00           H  
HETATM   93  H   UNL     1       5.174  -2.317  -3.042  1.00  0.00           H  
HETATM   94  H   UNL     1       5.257  -2.075  -0.617  1.00  0.00           H  
HETATM   95  H   UNL     1       3.047  -2.069  -3.758  1.00  0.00           H  
HETATM   96  H   UNL     1       2.502  -3.764  -3.781  1.00  0.00           H  
HETATM   97  H   UNL     1       1.445  -2.498  -3.111  1.00  0.00           H  
HETATM   98  H   UNL     1       2.914  -1.222   0.895  1.00  0.00           H  
HETATM   99  H   UNL     1       4.394  -2.925   1.484  1.00  0.00           H  
HETATM  100  H   UNL     1       3.961  -3.920   0.055  1.00  0.00           H  
HETATM  101  H   UNL     1       1.221  -4.603   0.055  1.00  0.00           H  
HETATM  102  H   UNL     1       0.365  -3.973   1.495  1.00  0.00           H  
HETATM  103  H   UNL     1       2.550  -1.059  -1.581  1.00  0.00           H  
HETATM  104  H   UNL     1       6.756  -0.007  -0.420  1.00  0.00           H  
HETATM  105  H   UNL     1       5.201   1.996   1.028  1.00  0.00           H  
HETATM  106  H   UNL     1       8.194   1.686   0.525  1.00  0.00           H  
HETATM  107  H   UNL     1       7.466   2.950   1.546  1.00  0.00           H  
HETATM  108  H   UNL     1       8.166  -0.640   1.217  1.00  0.00           H  
HETATM  109  H   UNL     1       8.083  -2.216   3.108  1.00  0.00           H  
HETATM  110  H   UNL     1       7.170  -1.491   5.276  1.00  0.00           H  
HETATM  111  H   UNL     1       6.339   0.811   5.554  1.00  0.00           H  
HETATM  112  H   UNL     1       6.428   2.388   3.666  1.00  0.00           H  
HETATM  113  H   UNL     1       6.540   4.871  -3.594  1.00  0.00           H  
HETATM  114  H   UNL     1       4.931   5.716  -1.796  1.00  0.00           H  
CONECT    1    2   53   54                                            
CONECT    2    3    1    5    6                                       
CONECT    3    4    4    7    2                                       
CONECT    4    3    3                                                 
CONECT    5    2   55   56   57                                       
CONECT    6    2   58   59   60                                       
CONECT    7    8    3   61                                            
CONECT    8   11    9    7   62                                       
CONECT    9   14    8   10   10                                       
CONECT   10    9    9                                                 
CONECT   11   12    8   13   63                                       
CONECT   12   11   64   65   66                                       
CONECT   13   11   67   68   69                                       
CONECT   14   17   25    9                                            
CONECT   15   18   20   17   70                                       
CONECT   16   24   17   22   71                                       
CONECT   17   15   16   14   72                                       
CONECT   18   19   15   73   74                                       
CONECT   19   32   21   21   18                                       
CONECT   20   15   26                                                 
CONECT   21   19   19                                                 
CONECT   22   16   23   75   76                                       
CONECT   23   22   77   78   79                                       
CONECT   24   16   80   81   82                                       
CONECT   25   14   83   84   85                                       
CONECT   26   20   86   87   88                                       
CONECT   27   34   35   89   90                                       
CONECT   28   29   91   92   93                                       
CONECT   29   31   28   36   94                                       
CONECT   30   37   95   96   97                                       
CONECT   31   40   38   38   29                                       
CONECT   32   33   35   19                                            
CONECT   33   34   36   32   98                                       
CONECT   34   27   33   99  100                                       
CONECT   35   27   32  101  102                                       
CONECT   36   29   33   37  103                                       
CONECT   37   30   36                                                 
CONECT   38   31   31                                                 
CONECT   39   52   44   44                                            
CONECT   40   41   31  104                                            
CONECT   41   42   44   40  105                                       
CONECT   42   43   41  106  107                                       
CONECT   43   49   49   45   42                                       
CONECT   44   39   39   41   50                                       
CONECT   45   46   46   43  108                                       
CONECT   46   47   45   45  109                                       
CONECT   47   48   48   46  110                                       
CONECT   48   47   47   49  111                                       
CONECT   49   48   43   43  112                                       
CONECT   50   51   44                                                 
CONECT   51   52   52   50  113                                       
CONECT   52   39   51   51  114                                       
CONECT   53    1                                                      
CONECT   54    1                                                      
CONECT   55    5                                                      
CONECT   56    5                                                      
CONECT   57    5                                                      
CONECT   58    6                                                      
CONECT   59    6                                                      
CONECT   60    6                                                      
CONECT   61    7                                                      
CONECT   62    8                                                      
CONECT   63   11                                                      
CONECT   64   12                                                      
CONECT   65   12                                                      
CONECT   66   12                                                      
CONECT   67   13                                                      
CONECT   68   13                                                      
CONECT   69   13                                                      
CONECT   70   15                                                      
CONECT   71   16                                                      
CONECT   72   17                                                      
CONECT   73   18                                                      
CONECT   74   18                                                      
CONECT   75   22                                                      
CONECT   76   22                                                      
CONECT   77   23                                                      
CONECT   78   23                                                      
CONECT   79   23                                                      
CONECT   80   24                                                      
CONECT   81   24                                                      
CONECT   82   24                                                      
CONECT   83   25                                                      
CONECT   84   25                                                      
CONECT   85   25                                                      
CONECT   86   26                                                      
CONECT   87   26                                                      
CONECT   88   26                                                      
CONECT   89   27                                                      
CONECT   90   27                                                      
CONECT   91   28                                                      
CONECT   92   28                                                      
CONECT   93   28                                                      
CONECT   94   29                                                      
CONECT   95   30                                                      
CONECT   96   30                                                      
CONECT   97   30                                                      
CONECT   98   33                                                      
CONECT   99   34                                                      
CONECT  100   34                                                      
CONECT  101   35                                                      
CONECT  102   35                                                      
CONECT  103   36                                                      
CONECT  104   40                                                      
CONECT  105   41                                                      
CONECT  106   42                                                      
CONECT  107   42                                                      
CONECT  108   45                                                      
CONECT  109   46                                                      
CONECT  110   47                                                      
CONECT  111   48                                                      
CONECT  112   49                                                      
CONECT  113   51                                                      
CONECT  114   52                                                      
MASTER        0    0    0    0    0    0    0    0  114    0  114    0
END
