COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.749  -0.710   0.386  1.00  0.00           C  
HETATM    2  C   UNL     1       6.925   0.030  -0.402  1.00  0.00           C  
HETATM    3  C   UNL     1       5.526  -0.184  -0.379  1.00  0.00           C  
HETATM    4  C   UNL     1       5.013  -1.172   0.471  1.00  0.00           C  
HETATM    5  C   UNL     1       3.274   0.053  -0.880  1.00  0.00           C  
HETATM    6  C   UNL     1       2.075   0.599  -1.534  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.548  -0.053  -3.225  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.743  -1.552  -2.991  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.537   0.421  -1.000  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.848   1.710   1.088  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.636   1.642   1.030  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.901   0.678   0.375  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.346  -1.617  -0.454  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.966  -2.503   0.734  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.553  -3.878   0.543  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.918  -6.170   1.286  1.00  0.00           C  
HETATM   17  O   UNL     1       2.182   1.495  -2.349  1.00  0.00           O  
HETATM   18  C   UNL     1       4.522   0.471  -1.110  1.00  0.00           C  
HETATM   19  S   UNL     1       3.262  -1.236   0.310  1.00  0.00           S  
HETATM   20  C   UNL     1       5.881  -1.921   1.272  1.00  0.00           C  
HETATM   21  C   UNL     1       7.235  -1.690   1.227  1.00  0.00           C  
HETATM   22  C   UNL     1       9.236  -0.470   0.342  1.00  0.00           C  
HETATM   23  F   UNL     1       9.615  -0.124  -0.960  1.00  0.00           F  
HETATM   24  P   UNL     1       9.667   0.886   1.481  1.00  0.00           P  
HETATM   25  O   UNL     1      11.107   1.201   1.350  1.00  0.00           O  
HETATM   26  O   UNL     1       8.797   2.191   1.115  1.00  0.00           O  
HETATM   27  O   UNL     1       9.351   0.437   2.994  1.00  0.00           O  
HETATM   28  F   UNL     1       9.908  -1.635   0.729  1.00  0.00           F  
HETATM   29  N   UNL     1       0.859   0.105  -1.230  1.00  0.00           N  
HETATM   30  C   UNL     1      -0.336   0.649  -1.882  1.00  0.00           C  
HETATM   31  C   UNL     1       0.675   0.170  -4.116  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.790   0.522  -3.910  1.00  0.00           C  
HETATM   33  O   UNL     1      -1.617  -0.589  -0.334  1.00  0.00           O  
HETATM   34  N   UNL     1      -2.522   1.340  -0.952  1.00  0.00           N  
HETATM   35  C   UNL     1      -3.792   1.197  -0.227  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.611   2.480  -0.479  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.995   3.033  -1.792  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.500   2.657  -1.614  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.546  -0.002  -0.744  1.00  0.00           C  
HETATM   40  O   UNL     1      -4.045  -0.715  -1.588  1.00  0.00           O  
HETATM   41  N   UNL     1      -5.776  -0.281  -0.269  1.00  0.00           N  
HETATM   42  O   UNL     1      -7.211  -4.125  -0.445  1.00  0.00           O  
HETATM   43  N   UNL     1      -6.347  -4.833   1.471  1.00  0.00           N  
HETATM   44  C   UNL     1      -5.553  -4.535   2.665  1.00  0.00           C  
HETATM   45  C   UNL     1      -6.509   0.707   0.401  1.00  0.00           C  
HETATM   46  C   UNL     1      -7.989   2.657   1.725  1.00  0.00           C  
HETATM   47  C   UNL     1      -6.585   2.689   1.752  1.00  0.00           C  
HETATM   48  O   UNL     1      -8.428   3.712   2.442  1.00  0.00           O  
HETATM   49  C   UNL     1      -7.396   4.422   2.930  1.00  0.00           C  
HETATM   50  C   UNL     1      -6.235   3.867   2.556  1.00  0.00           C  
HETATM   51  H   UNL     1       7.341   0.788  -1.050  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.614  -1.711  -2.357  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.894  -2.052  -3.948  1.00  0.00           H  
HETATM   54  H   UNL     1       0.142  -1.962  -2.503  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.768   1.732   1.112  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.715   1.610   1.002  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.410  -0.108  -0.163  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.957  -2.055  -1.373  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.432  -1.543  -0.519  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.881  -2.578   0.799  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.356  -2.066   1.653  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.208  -6.797   0.747  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.129  -6.613   2.260  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.843  -6.094   0.714  1.00  0.00           H  
HETATM   65  H   UNL     1       4.745   1.262  -1.812  1.00  0.00           H  
HETATM   66  H   UNL     1       5.487  -2.683   1.928  1.00  0.00           H  
HETATM   67  H   UNL     1       7.902  -2.271   1.847  1.00  0.00           H  
HETATM   68  H   UNL     1       8.975   2.953   1.683  1.00  0.00           H  
HETATM   69  H   UNL     1       8.441   0.143   3.135  1.00  0.00           H  
HETATM   70  H   UNL     1       0.773  -0.610  -0.580  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.204   1.718  -2.047  1.00  0.00           H  
HETATM   72  H   UNL     1       0.524  -0.329  -5.073  1.00  0.00           H  
HETATM   73  H   UNL     1       0.814   1.239  -4.282  1.00  0.00           H  
HETATM   74  H   UNL     1       1.560  -0.239  -3.628  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.645   0.439  -3.240  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.618   1.571  -4.152  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.990  -0.034  -4.825  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.599   1.084   0.840  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.666   2.244  -0.618  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.480   3.188   0.339  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.424   2.539  -2.663  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.120   4.114  -1.857  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.995   3.390  -0.984  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.009   2.587  -2.584  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.215  -3.500   2.628  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.164  -4.686   3.556  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.688  -5.198   2.701  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.489   5.312   3.535  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.242   4.215   2.797  1.00  0.00           H  
CONECT    1   22    2    2   21                                       
CONECT    2    1    1    3   51                                       
CONECT    3    2   18    4    4                                       
CONECT    4    3    3   20   19                                       
CONECT    5   18   18    6   19                                       
CONECT    6    5   29   17   17                                       
CONECT    7   32   31    8   30                                       
CONECT    8    7   52   53   54                                       
CONECT    9   30   33   33   34                                       
CONECT   10   45   45   47   55                                       
CONECT   11   12   12   46   56                                       
CONECT   12   45   11   11   57                                       
CONECT   13   41   14   58   59                                       
CONECT   14   13   15   60   61                                       
CONECT   15   14   42   42   43                                       
CONECT   16   43   62   63   64                                       
CONECT   17    6    6                                                 
CONECT   18    3    5    5   65                                       
CONECT   19    4    5                                                 
CONECT   20   21   21    4   66                                       
CONECT   21    1   20   20   67                                       
CONECT   22   24   23    1   28                                       
CONECT   23   22                                                      
CONECT   24   25   25   27   22                                       
CONECT   24   26                                                      
CONECT   25   24   24                                                 
CONECT   26   24   68                                                 
CONECT   27   24   69                                                 
CONECT   28   22                                                      
CONECT   29   30    6   70                                            
CONECT   30    7   29    9   71                                       
CONECT   31    7   72   73   74                                       
CONECT   32    7   75   76   77                                       
CONECT   33    9    9                                                 
CONECT   34    9   38   35                                            
CONECT   35   34   36   39   78                                       
CONECT   36   37   35   79   80                                       
CONECT   37   38   36   81   82                                       
CONECT   38   34   37   83   84                                       
CONECT   39   40   40   35   41                                       
CONECT   40   39   39                                                 
CONECT   41   39   13   45                                            
CONECT   42   15   15                                                 
CONECT   43   15   16   44                                            
CONECT   44   43   85   86   87                                       
CONECT   45   41   10   10   12                                       
CONECT   46   47   47   11   48                                       
CONECT   47   10   50   46   46                                       
CONECT   48   46   49                                                 
CONECT   49   50   50   48   88                                       
CONECT   50   47   49   49   89                                       
CONECT   51    2                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54    8                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   14                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   16                                                      
CONECT   65   18                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   31                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   32                                                      
CONECT   77   32                                                      
CONECT   78   35                                                      
CONECT   79   36                                                      
CONECT   80   36                                                      
CONECT   81   37                                                      
CONECT   82   37                                                      
CONECT   83   38                                                      
CONECT   84   38                                                      
CONECT   85   44                                                      
CONECT   86   44                                                      
CONECT   87   44                                                      
CONECT   88   49                                                      
CONECT   89   50                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
