COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.106   6.195   4.187  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.814   5.130   2.613  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.727   5.947   2.968  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.916   6.897   3.986  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.050   4.622   1.391  1.00  0.00           C  
HETATM    6  C   UNL     1      17.145   6.560  -1.550  1.00  0.00           C  
HETATM    7  C   UNL     1      17.107   8.086  -1.643  1.00  0.00           C  
HETATM    8  C   UNL     1      18.456   8.600  -2.149  1.00  0.00           C  
HETATM    9  N   UNL     1      -6.357   4.305   1.616  1.00  0.00           N  
HETATM   10  N   UNL     1      -4.682   5.585   2.185  1.00  0.00           N  
HETATM   11  N   UNL     1      -7.973   5.288   3.243  1.00  0.00           N  
HETATM   12  N   UNL     1      -7.114   6.985   4.555  1.00  0.00           N  
HETATM   13  N   UNL     1      -4.883   7.729   4.379  1.00  0.00           N  
HETATM   14  C   UNL     1      -7.131   3.273   0.922  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.859   3.878  -0.299  1.00  0.00           C  
HETATM   16  O   UNL     1      -9.219   4.173   0.025  1.00  0.00           O  
HETATM   17  C   UNL     1      -7.783   2.767  -1.370  1.00  0.00           C  
HETATM   18  O   UNL     1      -9.095   2.338  -1.741  1.00  0.00           O  
HETATM   19  C   UNL     1      -7.018   1.622  -0.669  1.00  0.00           C  
HETATM   20  O   UNL     1      -6.250   2.272   0.368  1.00  0.00           O  
HETATM   21  C   UNL     1      -6.087   0.919  -1.659  1.00  0.00           C  
HETATM   22  O   UNL     1      -5.477  -0.206  -1.024  1.00  0.00           O  
HETATM   23  P   UNL     1      -4.436  -1.179  -1.773  1.00  0.00           P  
HETATM   24  O   UNL     1      -5.054  -1.702  -3.012  1.00  0.00           O  
HETATM   25  O   UNL     1      -3.104  -0.354  -2.144  1.00  0.00           O  
HETATM   26  O   UNL     1      -4.055  -2.406  -0.804  1.00  0.00           O  
HETATM   27  P   UNL     1      -3.345  -3.833  -1.032  1.00  0.00           P  
HETATM   28  O   UNL     1      -4.378  -4.838  -1.749  1.00  0.00           O  
HETATM   29  O   UNL     1      -2.151  -3.658  -1.889  1.00  0.00           O  
HETATM   30  O   UNL     1      -2.900  -4.444   0.389  1.00  0.00           O  
HETATM   31  C   UNL     1      -2.150  -5.654   0.516  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.898  -5.946   1.996  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.096  -7.242   2.132  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.110  -4.791   2.617  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.237  -6.098   2.721  1.00  0.00           C  
HETATM   36  O   UNL     1      -1.885  -8.341   1.674  1.00  0.00           O  
HETATM   37  C   UNL     1       0.159  -7.144   1.302  1.00  0.00           C  
HETATM   38  O   UNL     1       0.290  -7.840   0.317  1.00  0.00           O  
HETATM   39  N   UNL     1       1.135  -6.285   1.655  1.00  0.00           N  
HETATM   40  C   UNL     1       2.311  -6.119   0.797  1.00  0.00           C  
HETATM   41  C   UNL     1       3.258  -5.093   1.422  1.00  0.00           C  
HETATM   42  C   UNL     1       4.467  -4.923   0.540  1.00  0.00           C  
HETATM   43  O   UNL     1       4.563  -5.560  -0.488  1.00  0.00           O  
HETATM   44  N   UNL     1       5.443  -4.063   0.892  1.00  0.00           N  
HETATM   45  C   UNL     1       6.619  -3.898   0.034  1.00  0.00           C  
HETATM   46  C   UNL     1       7.566  -2.871   0.660  1.00  0.00           C  
HETATM   47  S   UNL     1       9.019  -2.667  -0.400  1.00  0.00           S  
HETATM   48  P   UNL     1      -9.615   2.326  -3.264  1.00  0.00           P  
HETATM   49  O   UNL     1     -11.171   1.912  -3.297  1.00  0.00           O  
HETATM   50  O   UNL     1      -9.450   3.674  -3.853  1.00  0.00           O  
HETATM   51  O   UNL     1      -8.759   1.261  -4.115  1.00  0.00           O  
HETATM   52  C   UNL     1       9.912  -1.467   0.532  1.00  0.00           C  
HETATM   53  C   UNL     1      11.209  -0.973   0.044  1.00  0.00           C  
HETATM   54  O   UNL     1       9.455  -1.047   1.578  1.00  0.00           O  
HETATM   55  C   UNL     1      11.882  -0.068   0.748  1.00  0.00           C  
HETATM   56  C   UNL     1      13.211   0.438   0.249  1.00  0.00           C  
HETATM   57  C   UNL     1      13.173   1.965   0.156  1.00  0.00           C  
HETATM   58  C   UNL     1      14.522   2.479  -0.351  1.00  0.00           C  
HETATM   59  C   UNL     1      14.485   4.005  -0.444  1.00  0.00           C  
HETATM   60  C   UNL     1      15.834   4.519  -0.950  1.00  0.00           C  
HETATM   61  C   UNL     1      15.796   6.046  -1.043  1.00  0.00           C  
HETATM   62  H   UNL     1      -9.063   6.301   4.676  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.413   4.143   0.662  1.00  0.00           H  
HETATM   64  H   UNL     1      17.346   6.141  -2.536  1.00  0.00           H  
HETATM   65  H   UNL     1      17.932   6.257  -0.859  1.00  0.00           H  
HETATM   66  H   UNL     1      16.321   8.389  -2.333  1.00  0.00           H  
HETATM   67  H   UNL     1      16.906   8.505  -0.656  1.00  0.00           H  
HETATM   68  H   UNL     1      19.243   8.297  -1.459  1.00  0.00           H  
HETATM   69  H   UNL     1      18.658   8.181  -3.135  1.00  0.00           H  
HETATM   70  H   UNL     1      18.430   9.688  -2.215  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.015   7.660   3.951  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.026   8.381   5.083  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.846   2.814   1.604  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.346   4.776  -0.643  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.323   4.822   0.734  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.233   3.115  -2.243  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.717   0.909  -0.233  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.662   0.582  -2.522  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.314   1.614  -1.988  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.646   0.018  -1.379  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.186  -4.999  -1.242  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.711  -6.477   0.073  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.196  -5.546  -0.001  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.829  -7.397   3.177  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.728  -3.893   2.624  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.833  -5.049   3.639  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.210  -4.609   2.031  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.773  -6.958   2.319  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.059  -6.246   3.786  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.834  -5.198   2.574  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.159  -8.271   0.749  1.00  0.00           H  
HETATM   92  H   UNL     1       1.058  -5.775   2.477  1.00  0.00           H  
HETATM   93  H   UNL     1       2.825  -7.075   0.698  1.00  0.00           H  
HETATM   94  H   UNL     1       1.996  -5.772  -0.187  1.00  0.00           H  
HETATM   95  H   UNL     1       2.743  -4.137   1.522  1.00  0.00           H  
HETATM   96  H   UNL     1       3.572  -5.441   2.406  1.00  0.00           H  
HETATM   97  H   UNL     1       5.367  -3.553   1.714  1.00  0.00           H  
HETATM   98  H   UNL     1       7.134  -4.853  -0.065  1.00  0.00           H  
HETATM   99  H   UNL     1       6.305  -3.550  -0.950  1.00  0.00           H  
HETATM  100  H   UNL     1       7.052  -1.916   0.759  1.00  0.00           H  
HETATM  101  H   UNL     1       7.880  -3.219   1.644  1.00  0.00           H  
HETATM  102  H   UNL     1     -11.552   1.884  -4.185  1.00  0.00           H  
HETATM  103  H   UNL     1      -8.820   0.354  -3.785  1.00  0.00           H  
HETATM  104  H   UNL     1      11.614  -1.346  -0.885  1.00  0.00           H  
HETATM  105  H   UNL     1      11.477   0.305   1.677  1.00  0.00           H  
HETATM  106  H   UNL     1      13.998   0.135   0.939  1.00  0.00           H  
HETATM  107  H   UNL     1      13.412   0.019  -0.737  1.00  0.00           H  
HETATM  108  H   UNL     1      12.386   2.268  -0.535  1.00  0.00           H  
HETATM  109  H   UNL     1      12.972   2.384   1.142  1.00  0.00           H  
HETATM  110  H   UNL     1      15.309   2.176   0.340  1.00  0.00           H  
HETATM  111  H   UNL     1      14.724   2.060  -1.337  1.00  0.00           H  
HETATM  112  H   UNL     1      13.698   4.308  -1.134  1.00  0.00           H  
HETATM  113  H   UNL     1      14.283   4.424   0.542  1.00  0.00           H  
HETATM  114  H   UNL     1      16.621   4.216  -0.259  1.00  0.00           H  
HETATM  115  H   UNL     1      16.035   4.100  -1.936  1.00  0.00           H  
HETATM  116  H   UNL     1      15.595   6.465  -0.057  1.00  0.00           H  
HETATM  117  H   UNL     1      15.009   6.349  -1.734  1.00  0.00           H  
CONECT    1   11   12   12   62                                       
CONECT    2    9   11   11    3                                       
CONECT    3    2   10    4    4                                       
CONECT    4    3    3   12   13                                       
CONECT    5    9   10   10   63                                       
CONECT    6    7   61   64   65                                       
CONECT    7    8    6   66   67                                       
CONECT    8    7   68   69   70                                       
CONECT    9   14    5    2                                            
CONECT   10    5    5    3                                            
CONECT   11    2    2    1                                            
CONECT   12    1    1    4                                            
CONECT   13    4   71   72                                            
CONECT   14   15   20    9   73                                       
CONECT   15   17   16   14   74                                       
CONECT   16   15   75                                                 
CONECT   17   18   19   15   76                                       
CONECT   18   48   17                                                 
CONECT   19   17   21   20   77                                       
CONECT   20   19   14                                                 
CONECT   21   22   19   78   79                                       
CONECT   22   23   21                                                 
CONECT   23   24   24   25   26                                       
CONECT   23   22                                                      
CONECT   24   23   23                                                 
CONECT   25   23   80                                                 
CONECT   26   23   27                                                 
CONECT   27   26   29   29   30                                       
CONECT   27   28                                                      
CONECT   28   27   81                                                 
CONECT   29   27   27                                                 
CONECT   30   31   27                                                 
CONECT   31   32   30   82   83                                       
CONECT   32   35   31   34   33                                       
CONECT   33   32   37   36   84                                       
CONECT   34   32   85   86   87                                       
CONECT   35   32   88   89   90                                       
CONECT   36   33   91                                                 
CONECT   37   38   38   33   39                                       
CONECT   38   37   37                                                 
CONECT   39   37   40   92                                            
CONECT   40   39   41   93   94                                       
CONECT   41   40   42   95   96                                       
CONECT   42   41   43   43   44                                       
CONECT   43   42   42                                                 
CONECT   44   42   45   97                                            
CONECT   45   46   44   98   99                                       
CONECT   46   47   45  100  101                                       
CONECT   47   46   52                                                 
CONECT   48   50   50   51   49                                       
CONECT   48   18                                                      
CONECT   49   48  102                                                 
CONECT   50   48   48                                                 
CONECT   51   48  103                                                 
CONECT   52   47   53   54   54                                       
CONECT   53   52   55   55  104                                       
CONECT   54   52   52                                                 
CONECT   55   53   53   56  105                                       
CONECT   56   55   57  106  107                                       
CONECT   57   56   58  108  109                                       
CONECT   58   59   57  110  111                                       
CONECT   59   60   58  112  113                                       
CONECT   60   61   59  114  115                                       
CONECT   61    6   60  116  117                                       
CONECT   62    1                                                      
CONECT   63    5                                                      
CONECT   64    6                                                      
CONECT   65    6                                                      
CONECT   66    7                                                      
CONECT   67    7                                                      
CONECT   68    8                                                      
CONECT   69    8                                                      
CONECT   70    8                                                      
CONECT   71   13                                                      
CONECT   72   13                                                      
CONECT   73   14                                                      
CONECT   74   15                                                      
CONECT   75   16                                                      
CONECT   76   17                                                      
CONECT   77   19                                                      
CONECT   78   21                                                      
CONECT   79   21                                                      
CONECT   80   25                                                      
CONECT   81   28                                                      
CONECT   82   31                                                      
CONECT   83   31                                                      
CONECT   84   33                                                      
CONECT   85   34                                                      
CONECT   86   34                                                      
CONECT   87   34                                                      
CONECT   88   35                                                      
CONECT   89   35                                                      
CONECT   90   35                                                      
CONECT   91   36                                                      
CONECT   92   39                                                      
CONECT   93   40                                                      
CONECT   94   40                                                      
CONECT   95   41                                                      
CONECT   96   41                                                      
CONECT   97   44                                                      
CONECT   98   45                                                      
CONECT   99   45                                                      
CONECT  100   46                                                      
CONECT  101   46                                                      
CONECT  102   49                                                      
CONECT  103   51                                                      
CONECT  104   53                                                      
CONECT  105   55                                                      
CONECT  106   56                                                      
CONECT  107   56                                                      
CONECT  108   57                                                      
CONECT  109   57                                                      
CONECT  110   58                                                      
CONECT  111   58                                                      
CONECT  112   59                                                      
CONECT  113   59                                                      
CONECT  114   60                                                      
CONECT  115   60                                                      
CONECT  116   61                                                      
CONECT  117   61                                                      
MASTER        0    0    0    0    0    0    0    0  117    0  117    0
END
