COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -7.758  -7.024   1.093  1.00  0.00           N  
HETATM    2  C   UNL     1      -7.945  -6.454  -0.083  1.00  0.00           C  
HETATM    3  N   UNL     1      -7.657  -5.190  -0.310  1.00  0.00           N  
HETATM    4  C   UNL     1      -7.158  -4.425   0.656  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.941  -4.984   1.926  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.263  -6.338   2.119  1.00  0.00           C  
HETATM    7  N   UNL     1      -7.071  -6.944   3.348  1.00  0.00           N  
HETATM    8  N   UNL     1      -6.434  -4.004   2.713  1.00  0.00           N  
HETATM    9  C   UNL     1      -6.328  -2.906   2.022  1.00  0.00           C  
HETATM   10  N   UNL     1      -6.763  -3.114   0.747  1.00  0.00           N  
HETATM   11  C   UNL     1      -6.800  -2.121  -0.329  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.183  -1.422  -0.379  1.00  0.00           C  
HETATM   13  O   UNL     1      -9.104  -2.172  -1.174  1.00  0.00           O  
HETATM   14  C   UNL     1      -7.840  -0.073  -1.056  1.00  0.00           C  
HETATM   15  O   UNL     1      -8.133  -0.126  -2.454  1.00  0.00           O  
HETATM   16  C   UNL     1      -6.325   0.090  -0.828  1.00  0.00           C  
HETATM   17  O   UNL     1      -5.883  -1.040  -0.055  1.00  0.00           O  
HETATM   18  C   UNL     1      -6.051   1.386  -0.063  1.00  0.00           C  
HETATM   19  O   UNL     1      -4.640   1.588   0.043  1.00  0.00           O  
HETATM   20  P   UNL     1      -9.160   0.883  -3.174  1.00  0.00           P  
HETATM   21  O   UNL     1      -8.579   2.382  -3.102  1.00  0.00           O  
HETATM   22  O   UNL     1      -9.344   0.452  -4.714  1.00  0.00           O  
HETATM   23  O   UNL     1     -10.470   0.827  -2.486  1.00  0.00           O  
HETATM   24  P   UNL     1      -3.989   2.857   0.789  1.00  0.00           P  
HETATM   25  O   UNL     1      -2.388   2.693   0.829  1.00  0.00           O  
HETATM   26  P   UNL     1      -1.219   3.339   1.729  1.00  0.00           P  
HETATM   27  O   UNL     1       0.191   3.188   0.967  1.00  0.00           O  
HETATM   28  C   UNL     1       1.407   3.754   1.459  1.00  0.00           C  
HETATM   29  C   UNL     1       2.550   3.423   0.498  1.00  0.00           C  
HETATM   30  C   UNL     1       3.852   4.030   1.026  1.00  0.00           C  
HETATM   31  C   UNL     1       5.001   3.587   0.157  1.00  0.00           C  
HETATM   32  N   UNL     1       5.945   2.765   0.656  1.00  0.00           N  
HETATM   33  C   UNL     1       7.001   2.247  -0.216  1.00  0.00           C  
HETATM   34  C   UNL     1       7.935   1.345   0.593  1.00  0.00           C  
HETATM   35  C   UNL     1       9.021   0.812  -0.305  1.00  0.00           C  
HETATM   36  N   UNL     1       9.965  -0.011   0.194  1.00  0.00           N  
HETATM   37  C   UNL     1      11.021  -0.529  -0.679  1.00  0.00           C  
HETATM   38  C   UNL     1      11.955  -1.431   0.130  1.00  0.00           C  
HETATM   39  O   UNL     1      -1.506   4.773   1.954  1.00  0.00           O  
HETATM   40  O   UNL     1      -4.511   2.938   2.171  1.00  0.00           O  
HETATM   41  O   UNL     1      -1.149   2.576   3.145  1.00  0.00           O  
HETATM   42  O   UNL     1      -4.370   4.203  -0.009  1.00  0.00           O  
HETATM   43  C   UNL     1       2.702   1.905   0.391  1.00  0.00           C  
HETATM   44  C   UNL     1       2.240   4.004  -0.883  1.00  0.00           C  
HETATM   45  O   UNL     1       5.076   3.971  -0.991  1.00  0.00           O  
HETATM   46  O   UNL     1       9.046   1.123  -1.477  1.00  0.00           O  
HETATM   47  C   UNL     1      13.059  -1.972  -0.781  1.00  0.00           C  
HETATM   48  C   UNL     1      13.992  -2.874   0.028  1.00  0.00           C  
HETATM   49  S   UNL     1      15.300  -3.515  -1.053  1.00  0.00           S  
HETATM   50  C   UNL     1      16.267  -4.536   0.093  1.00  0.00           C  
HETATM   51  O   UNL     1       4.072   3.592   2.368  1.00  0.00           O  
HETATM   52  O   UNL     1      14.708  -4.365  -2.026  1.00  0.00           O  
HETATM   53  O   UNL     1      16.108  -2.427  -1.481  1.00  0.00           O  
HETATM   54  H   UNL     1      -8.349  -7.047  -0.890  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.709  -6.433   4.089  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.297  -7.879   3.469  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.953  -1.968   2.404  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.570  -2.586  -1.287  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.576  -1.265   0.625  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.281  -3.061  -0.837  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.389   0.742  -0.583  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.806   0.106  -1.786  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.499   2.225  -0.595  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.483   1.317   0.936  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.721   2.493  -3.533  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.952   1.018  -5.211  1.00  0.00           H  
HETATM   67  H   UNL     1       1.298   4.836   1.536  1.00  0.00           H  
HETATM   68  H   UNL     1       1.628   3.341   2.443  1.00  0.00           H  
HETATM   69  H   UNL     1       3.780   5.118   1.006  1.00  0.00           H  
HETATM   70  H   UNL     1       5.925   2.516   1.594  1.00  0.00           H  
HETATM   71  H   UNL     1       6.553   1.672  -1.027  1.00  0.00           H  
HETATM   72  H   UNL     1       7.570   3.079  -0.632  1.00  0.00           H  
HETATM   73  H   UNL     1       8.383   1.919   1.404  1.00  0.00           H  
HETATM   74  H   UNL     1       7.366   0.512   1.008  1.00  0.00           H  
HETATM   75  H   UNL     1       9.945  -0.260   1.131  1.00  0.00           H  
HETATM   76  H   UNL     1      10.574  -1.103  -1.490  1.00  0.00           H  
HETATM   77  H   UNL     1      11.590   0.303  -1.094  1.00  0.00           H  
HETATM   78  H   UNL     1      12.403  -0.856   0.941  1.00  0.00           H  
HETATM   79  H   UNL     1      11.387  -2.263   0.546  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.963   1.630   3.073  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.059   4.219  -0.925  1.00  0.00           H  
HETATM   82  H   UNL     1       1.775   1.472   0.015  1.00  0.00           H  
HETATM   83  H   UNL     1       3.517   1.669  -0.294  1.00  0.00           H  
HETATM   84  H   UNL     1       2.923   1.491   1.375  1.00  0.00           H  
HETATM   85  H   UNL     1       2.235   5.093  -0.827  1.00  0.00           H  
HETATM   86  H   UNL     1       3.001   3.680  -1.593  1.00  0.00           H  
HETATM   87  H   UNL     1       1.262   3.653  -1.213  1.00  0.00           H  
HETATM   88  H   UNL     1      12.611  -2.546  -1.592  1.00  0.00           H  
HETATM   89  H   UNL     1      13.627  -1.140  -1.197  1.00  0.00           H  
HETATM   90  H   UNL     1      14.440  -2.299   0.839  1.00  0.00           H  
HETATM   91  H   UNL     1      13.424  -3.706   0.443  1.00  0.00           H  
HETATM   92  H   UNL     1      15.631  -5.319   0.507  1.00  0.00           H  
HETATM   93  H   UNL     1      17.102  -4.990  -0.440  1.00  0.00           H  
HETATM   94  H   UNL     1      16.648  -3.913   0.902  1.00  0.00           H  
HETATM   95  H   UNL     1       4.147   2.632   2.461  1.00  0.00           H  
CONECT    1    6    6    2                                            
CONECT    2    1    3    3   54                                       
CONECT    3    2    2    4                                            
CONECT    4    3    5    5   10                                       
CONECT    5    4    4    8    6                                       
CONECT    6    1    1    5    7                                       
CONECT    7    6   55   56                                            
CONECT    8    5    9    9                                            
CONECT    9    8    8   10   57                                       
CONECT   10    4    9   11                                            
CONECT   11   10   12   17   58                                       
CONECT   12   11   14   13   59                                       
CONECT   13   12   60                                                 
CONECT   14   12   16   15   61                                       
CONECT   15   14   20                                                 
CONECT   16   14   18   17   62                                       
CONECT   17   11   16                                                 
CONECT   18   16   19   63   64                                       
CONECT   19   18   24                                                 
CONECT   20   15   23   23   21                                       
CONECT   20   22                                                      
CONECT   21   20   65                                                 
CONECT   22   20   66                                                 
CONECT   23   20   20                                                 
CONECT   24   19   40   40   25                                       
CONECT   24   42                                                      
CONECT   25   24   26                                                 
CONECT   26   25   27   39   39                                       
CONECT   26   41                                                      
CONECT   27   26   28                                                 
CONECT   28   27   29   67   68                                       
CONECT   29   28   44   30   43                                       
CONECT   30   29   31   51   69                                       
CONECT   31   30   45   45   32                                       
CONECT   32   31   33   70                                            
CONECT   33   32   34   71   72                                       
CONECT   34   33   35   73   74                                       
CONECT   35   34   36   46   46                                       
CONECT   36   35   37   75                                            
CONECT   37   36   38   76   77                                       
CONECT   38   37   47   78   79                                       
CONECT   39   26   26                                                 
CONECT   40   24   24                                                 
CONECT   41   26   80                                                 
CONECT   42   24   81                                                 
CONECT   43   29   82   83   84                                       
CONECT   44   29   85   86   87                                       
CONECT   45   31   31                                                 
CONECT   46   35   35                                                 
CONECT   47   38   48   88   89                                       
CONECT   48   47   49   90   91                                       
CONECT   49   48   53   53   52                                       
CONECT   49   52   50                                                 
CONECT   50   49   92   93   94                                       
CONECT   51   30   95                                                 
CONECT   52   49   49                                                 
CONECT   53   49   49                                                 
CONECT   54    2                                                      
CONECT   55    7                                                      
CONECT   56    7                                                      
CONECT   57    9                                                      
CONECT   58   11                                                      
CONECT   59   12                                                      
CONECT   60   13                                                      
CONECT   61   14                                                      
CONECT   62   16                                                      
CONECT   63   18                                                      
CONECT   64   18                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   28                                                      
CONECT   68   28                                                      
CONECT   69   30                                                      
CONECT   70   32                                                      
CONECT   71   33                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   34                                                      
CONECT   75   36                                                      
CONECT   76   37                                                      
CONECT   77   37                                                      
CONECT   78   38                                                      
CONECT   79   38                                                      
CONECT   80   41                                                      
CONECT   81   42                                                      
CONECT   82   43                                                      
CONECT   83   43                                                      
CONECT   84   43                                                      
CONECT   85   44                                                      
CONECT   86   44                                                      
CONECT   87   44                                                      
CONECT   88   47                                                      
CONECT   89   47                                                      
CONECT   90   48                                                      
CONECT   91   48                                                      
CONECT   92   50                                                      
CONECT   93   50                                                      
CONECT   94   50                                                      
CONECT   95   51                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
