COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.003  -1.261   3.248  1.00  0.00           C  
HETATM    2  C   UNL     1       1.213  -2.378   3.934  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.104  -1.791   4.455  1.00  0.00           C  
HETATM    4  C   UNL     1       0.216  -0.810   5.585  1.00  0.00           C  
HETATM    5  C   UNL     1       1.290   0.143   5.149  1.00  0.00           C  
HETATM    6  C   UNL     1       1.472   1.409   5.945  1.00  0.00           C  
HETATM    7  C   UNL     1       2.071  -0.055   4.138  1.00  0.00           C  
HETATM    8  O   UNL     1       0.937  -3.421   2.997  1.00  0.00           O  
HETATM    9  O   UNL     1      -0.938  -2.839   4.952  1.00  0.00           O  
HETATM   10  O   UNL     1      -0.960  -0.074   5.923  1.00  0.00           O  
HETATM   11  O   UNL     1       2.457   2.231   5.315  1.00  0.00           O  
HETATM   12  C   UNL     1       3.149   0.398  -1.518  1.00  0.00           C  
HETATM   13  C   UNL     1       3.867  -0.763  -0.827  1.00  0.00           C  
HETATM   14  C   UNL     1       2.912  -1.413   0.180  1.00  0.00           C  
HETATM   15  C   UNL     1       2.373  -0.325   1.117  1.00  0.00           C  
HETATM   16  C   UNL     1       1.769   0.802   0.278  1.00  0.00           C  
HETATM   17  C   UNL     1       1.201   1.878   1.206  1.00  0.00           C  
HETATM   18  N   UNL     1       1.339  -0.897   1.990  1.00  0.00           N  
HETATM   19  O   UNL     1       4.264  -1.728  -1.803  1.00  0.00           O  
HETATM   20  O   UNL     1       3.613  -2.401   0.937  1.00  0.00           O  
HETATM   21  O   UNL     1       2.775   1.378  -0.552  1.00  0.00           O  
HETATM   22  C   UNL     1       0.224   1.600  -5.496  1.00  0.00           C  
HETATM   23  C   UNL     1       1.733   1.830  -5.388  1.00  0.00           C  
HETATM   24  C   UNL     1       2.321   0.827  -4.390  1.00  0.00           C  
HETATM   25  C   UNL     1       1.548   0.936  -3.071  1.00  0.00           C  
HETATM   26  C   UNL     1       0.052   0.774  -3.353  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.725   0.851  -2.038  1.00  0.00           C  
HETATM   28  O   UNL     1       2.340   1.644  -6.668  1.00  0.00           O  
HETATM   29  O   UNL     1       3.700   1.124  -4.162  1.00  0.00           O  
HETATM   30  O   UNL     1       1.979  -0.091  -2.177  1.00  0.00           O  
HETATM   31  O   UNL     1      -0.389   1.811  -4.226  1.00  0.00           O  
HETATM   32  O   UNL     1      -2.117   0.654  -2.296  1.00  0.00           O  
HETATM   33  C   UNL     1      -3.281  -0.973  -8.118  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.884   0.488  -8.335  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.455   0.699  -7.822  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.377   0.210  -6.372  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.888  -1.230  -6.302  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.785  -1.739  -4.862  1.00  0.00           C  
HETATM   39  O   UNL     1      -2.364  -1.822  -8.813  1.00  0.00           O  
HETATM   40  O   UNL     1      -2.944   0.800  -9.728  1.00  0.00           O  
HETATM   41  O   UNL     1      -1.123   2.088  -7.878  1.00  0.00           O  
HETATM   42  O   UNL     1      -0.021   0.258  -5.924  1.00  0.00           O  
HETATM   43  O   UNL     1      -3.249  -1.281  -6.726  1.00  0.00           O  
HETATM   44  O   UNL     1      -2.199  -3.105  -4.809  1.00  0.00           O  
HETATM   45  C   UNL     1      -1.659  -0.840   6.906  1.00  0.00           C  
HETATM   46  C   UNL     1      -3.086  -0.307   7.046  1.00  0.00           C  
HETATM   47  C   UNL     1      -3.029   1.170   7.450  1.00  0.00           C  
HETATM   48  C   UNL     1      -2.157   1.302   8.704  1.00  0.00           C  
HETATM   49  C   UNL     1      -0.800   0.647   8.438  1.00  0.00           C  
HETATM   50  C   UNL     1       0.090   0.805   9.672  1.00  0.00           C  
HETATM   51  O   UNL     1      -3.770  -0.437   5.798  1.00  0.00           O  
HETATM   52  O   UNL     1      -4.349   1.642   7.728  1.00  0.00           O  
HETATM   53  O   UNL     1      -1.969   2.684   9.013  1.00  0.00           O  
HETATM   54  O   UNL     1      -0.980  -0.738   8.156  1.00  0.00           O  
HETATM   55  H   UNL     1       3.013  -1.611   3.036  1.00  0.00           H  
HETATM   56  H   UNL     1       1.791  -2.777   4.767  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.616  -1.266   3.649  1.00  0.00           H  
HETATM   58  H   UNL     1       0.558  -1.364   6.459  1.00  0.00           H  
HETATM   59  H   UNL     1       0.526   1.948   5.992  1.00  0.00           H  
HETATM   60  H   UNL     1       1.798   1.160   6.955  1.00  0.00           H  
HETATM   61  H   UNL     1       2.818   0.693   3.920  1.00  0.00           H  
HETATM   62  H   UNL     1       0.426  -4.093   3.470  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.115  -3.432   4.209  1.00  0.00           H  
HETATM   64  H   UNL     1       2.485   3.062   5.808  1.00  0.00           H  
HETATM   65  H   UNL     1       3.816   0.850  -2.253  1.00  0.00           H  
HETATM   66  H   UNL     1       4.747  -0.389  -0.304  1.00  0.00           H  
HETATM   67  H   UNL     1       2.082  -1.879  -0.350  1.00  0.00           H  
HETATM   68  H   UNL     1       3.187   0.067   1.725  1.00  0.00           H  
HETATM   69  H   UNL     1       0.969   0.402  -0.344  1.00  0.00           H  
HETATM   70  H   UNL     1       0.699   2.642   0.613  1.00  0.00           H  
HETATM   71  H   UNL     1       0.487   1.424   1.894  1.00  0.00           H  
HETATM   72  H   UNL     1       2.012   2.334   1.774  1.00  0.00           H  
HETATM   73  H   UNL     1       1.040  -1.759   1.559  1.00  0.00           H  
HETATM   74  H   UNL     1       4.858  -1.275  -2.417  1.00  0.00           H  
HETATM   75  H   UNL     1       3.942  -3.056   0.305  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.197   2.294  -6.223  1.00  0.00           H  
HETATM   77  H   UNL     1       1.922   2.845  -5.039  1.00  0.00           H  
HETATM   78  H   UNL     1       2.225  -0.183  -4.787  1.00  0.00           H  
HETATM   79  H   UNL     1       1.730   1.912  -2.620  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.122  -0.193  -3.822  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.369   0.076  -1.359  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.575   1.830  -1.583  1.00  0.00           H  
HETATM   83  H   UNL     1       1.942   2.293  -7.263  1.00  0.00           H  
HETATM   84  H   UNL     1       4.148   1.043  -5.016  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.570   0.710  -1.443  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.288  -1.136  -8.503  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.568   1.136  -7.787  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.758   0.131  -8.438  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.994   0.847  -5.738  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.282  -1.860  -6.953  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.752  -1.658  -4.522  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.428  -1.139  -4.218  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.648  -2.732  -8.651  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.858   0.654 -10.009  1.00  0.00           H  
HETATM   95  H   UNL     1      -1.184   2.353  -8.806  1.00  0.00           H  
HETATM   96  H   UNL     1      -2.118  -3.386  -3.887  1.00  0.00           H  
HETATM   97  H   UNL     1      -1.691  -1.885   6.596  1.00  0.00           H  
HETATM   98  H   UNL     1      -3.614  -0.874   7.813  1.00  0.00           H  
HETATM   99  H   UNL     1      -2.595   1.755   6.638  1.00  0.00           H  
HETATM  100  H   UNL     1      -2.646   0.804   9.541  1.00  0.00           H  
HETATM  101  H   UNL     1      -0.325   1.132   7.584  1.00  0.00           H  
HETATM  102  H   UNL     1       1.019   0.254   9.522  1.00  0.00           H  
HETATM  103  H   UNL     1       0.314   1.860   9.826  1.00  0.00           H  
HETATM  104  H   UNL     1      -0.427   0.412  10.546  1.00  0.00           H  
HETATM  105  H   UNL     1      -3.776  -1.379   5.580  1.00  0.00           H  
HETATM  106  H   UNL     1      -4.863   1.529   6.917  1.00  0.00           H  
HETATM  107  H   UNL     1      -1.417   2.721   9.805  1.00  0.00           H  
CONECT    1    2    7   18   55                                       
CONECT    2    1    3    8   56                                       
CONECT    3    2    4    9   57                                       
CONECT    4    3    5   10   58                                       
CONECT    5    4    6    7    7                                       
CONECT    6    5   11   59   60                                       
CONECT    7    1    5    5   61                                       
CONECT    8    2   62                                                 
CONECT    9    3   63                                                 
CONECT   10    4   45                                                 
CONECT   11    6   64                                                 
CONECT   12   13   21   30   65                                       
CONECT   13   12   14   19   66                                       
CONECT   14   13   15   20   67                                       
CONECT   15   14   16   18   68                                       
CONECT   16   15   17   21   69                                       
CONECT   17   16   70   71   72                                       
CONECT   18    1   15   73                                            
CONECT   19   13   74                                                 
CONECT   20   14   75                                                 
CONECT   21   12   16                                                 
CONECT   22   23   31   42   76                                       
CONECT   23   22   24   28   77                                       
CONECT   24   23   25   29   78                                       
CONECT   25   24   26   30   79                                       
CONECT   26   25   27   31   80                                       
CONECT   27   26   32   81   82                                       
CONECT   28   23   83                                                 
CONECT   29   24   84                                                 
CONECT   30   12   25                                                 
CONECT   31   22   26                                                 
CONECT   32   27   85                                                 
CONECT   33   34   39   43   86                                       
CONECT   34   33   35   40   87                                       
CONECT   35   34   36   41   88                                       
CONECT   36   35   37   42   89                                       
CONECT   37   36   38   43   90                                       
CONECT   38   37   44   91   92                                       
CONECT   39   33   93                                                 
CONECT   40   34   94                                                 
CONECT   41   35   95                                                 
CONECT   42   22   36                                                 
CONECT   43   33   37                                                 
CONECT   44   38   96                                                 
CONECT   45   10   46   54   97                                       
CONECT   46   45   47   51   98                                       
CONECT   47   46   48   52   99                                       
CONECT   48   47   49   53  100                                       
CONECT   49   48   50   54  101                                       
CONECT   50   49  102  103  104                                       
CONECT   51   46  105                                                 
CONECT   52   47  106                                                 
CONECT   53   48  107                                                 
CONECT   54   45   49                                                 
CONECT   55    1                                                      
CONECT   56    2                                                      
CONECT   57    3                                                      
CONECT   58    4                                                      
CONECT   59    6                                                      
CONECT   60    6                                                      
CONECT   61    7                                                      
CONECT   62    8                                                      
CONECT   63    9                                                      
CONECT   64   11                                                      
CONECT   65   12                                                      
CONECT   66   13                                                      
CONECT   67   14                                                      
CONECT   68   15                                                      
CONECT   69   16                                                      
CONECT   70   17                                                      
CONECT   71   17                                                      
CONECT   72   17                                                      
CONECT   73   18                                                      
CONECT   74   19                                                      
CONECT   75   20                                                      
CONECT   76   22                                                      
CONECT   77   23                                                      
CONECT   78   24                                                      
CONECT   79   25                                                      
CONECT   80   26                                                      
CONECT   81   27                                                      
CONECT   82   27                                                      
CONECT   83   28                                                      
CONECT   84   29                                                      
CONECT   85   32                                                      
CONECT   86   33                                                      
CONECT   87   34                                                      
CONECT   88   35                                                      
CONECT   89   36                                                      
CONECT   90   37                                                      
CONECT   91   38                                                      
CONECT   92   38                                                      
CONECT   93   39                                                      
CONECT   94   40                                                      
CONECT   95   41                                                      
CONECT   96   44                                                      
CONECT   97   45                                                      
CONECT   98   46                                                      
CONECT   99   47                                                      
CONECT  100   48                                                      
CONECT  101   49                                                      
CONECT  102   50                                                      
CONECT  103   50                                                      
CONECT  104   50                                                      
CONECT  105   51                                                      
CONECT  106   52                                                      
CONECT  107   53                                                      
MASTER        0    0    0    0    0    0    0    0  107    0  107    0
END
