COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1      -9.495  -2.640   2.173  1.00  0.00           F  
HETATM    2  C   UNL     1      -9.825  -2.431   0.880  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.830  -2.218  -0.063  1.00  0.00           C  
HETATM    4  C   UNL     1      -9.169  -2.005  -1.384  1.00  0.00           C  
HETATM    5  C   UNL     1     -10.500  -2.004  -1.765  1.00  0.00           C  
HETATM    6  C   UNL     1     -11.491  -2.216  -0.826  1.00  0.00           C  
HETATM    7  C   UNL     1     -11.154  -2.435   0.496  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.907  -1.804  -2.184  1.00  0.00           C  
HETATM    9  N   UNL     1      -6.772  -1.909  -1.261  1.00  0.00           N  
HETATM   10  C   UNL     1      -7.330  -2.168   0.070  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.467  -1.790  -1.576  1.00  0.00           C  
HETATM   12  O   UNL     1      -5.137  -1.574  -2.725  1.00  0.00           O  
HETATM   13  O   UNL     1      -4.530  -1.911  -0.618  1.00  0.00           O  
HETATM   14  C   UNL     1      -3.144  -1.771  -1.029  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.699  -0.309  -0.897  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.574  -0.258   0.042  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.488  -1.540   0.750  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.231  -2.584  -0.097  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.059  -1.955   0.949  1.00  0.00           C  
HETATM   20  N   UNL     1       0.413  -3.072   0.329  1.00  0.00           N  
HETATM   21  C   UNL     1       1.754  -3.535   0.741  1.00  0.00           C  
HETATM   22  C   UNL     1       1.786  -4.642   1.800  1.00  0.00           C  
HETATM   23  C   UNL     1       2.148  -4.959   0.347  1.00  0.00           C  
HETATM   24  C   UNL     1       2.908  -4.611   2.806  1.00  0.00           C  
HETATM   25  C   UNL     1       2.640  -4.512   4.084  1.00  0.00           C  
HETATM   26  C   UNL     1       2.828  -2.486   0.791  1.00  0.00           C  
HETATM   27  N   UNL     1       4.139  -2.857   0.641  1.00  0.00           N  
HETATM   28  S   UNL     1       5.249  -1.643   0.933  1.00  0.00           S  
HETATM   29  C   UNL     1       6.549  -1.852  -0.236  1.00  0.00           C  
HETATM   30  C   UNL     1       6.899  -0.797  -1.066  1.00  0.00           C  
HETATM   31  C   UNL     1       7.924  -0.943  -1.989  1.00  0.00           C  
HETATM   32  C   UNL     1       8.601  -2.146  -2.071  1.00  0.00           C  
HETATM   33  C   UNL     1       8.251  -3.201  -1.245  1.00  0.00           C  
HETATM   34  C   UNL     1       7.222  -3.052  -0.325  1.00  0.00           C  
HETATM   35  F   UNL     1       8.911  -4.376  -1.334  1.00  0.00           F  
HETATM   36  N   UNL     1       6.214   0.422  -0.950  1.00  0.00           N  
HETATM   37  C   UNL     1       6.590   1.537  -1.831  1.00  0.00           C  
HETATM   38  C   UNL     1       5.777   2.772  -1.437  1.00  0.00           C  
HETATM   39  C   UNL     1       4.373   2.655  -2.033  1.00  0.00           C  
HETATM   40  C   UNL     1       3.523   3.840  -1.569  1.00  0.00           C  
HETATM   41  C   UNL     1       2.101   3.685  -2.110  1.00  0.00           C  
HETATM   42  C   UNL     1       1.179   3.211  -0.983  1.00  0.00           C  
HETATM   43  C   UNL     1       0.110   2.279  -1.562  1.00  0.00           C  
HETATM   44  C   UNL     1      -1.007   2.080  -0.535  1.00  0.00           C  
HETATM   45  C   UNL     1      -0.764   0.803   0.229  1.00  0.00           C  
HETATM   46  O   UNL     1       0.159   0.731   1.012  1.00  0.00           O  
HETATM   47  N   UNL     1      -1.023   3.211   0.395  1.00  0.00           N  
HETATM   48  C   UNL     1      -1.719   4.324   0.091  1.00  0.00           C  
HETATM   49  O   UNL     1      -2.333   4.390  -0.953  1.00  0.00           O  
HETATM   50  C   UNL     1      -1.735   5.488   1.049  1.00  0.00           C  
HETATM   51  C   UNL     1      -2.593   6.614   0.466  1.00  0.00           C  
HETATM   52  C   UNL     1      -2.376   7.875   1.310  1.00  0.00           C  
HETATM   53  C   UNL     1      -0.940   8.360   1.106  1.00  0.00           C  
HETATM   54  N   UNL     1       0.002   7.265   1.309  1.00  0.00           N  
HETATM   55  C   UNL     1      -0.331   5.975   1.266  1.00  0.00           C  
HETATM   56  O   UNL     1       0.546   5.150   1.409  1.00  0.00           O  
HETATM   57  C   UNL     1       1.401   7.605   1.577  1.00  0.00           C  
HETATM   58  O   UNL     1       4.604  -0.420   0.604  1.00  0.00           O  
HETATM   59  O   UNL     1       5.810  -1.910   2.211  1.00  0.00           O  
HETATM   60  O   UNL     1       2.537  -1.321   0.963  1.00  0.00           O  
HETATM   61  O   UNL     1       0.673  -1.298   1.659  1.00  0.00           O  
HETATM   62  H   UNL     1     -11.928  -2.606   1.230  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.046  -1.366   0.752  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.960  -3.122   0.446  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.764  -1.836  -2.799  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.830  -2.573  -2.953  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.916  -0.817  -2.647  1.00  0.00           H  
HETATM   68  H   UNL     1     -12.528  -2.214  -1.126  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.024  -2.109  -2.059  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.385   0.070  -1.870  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.524   0.294  -0.518  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.828  -3.234   0.543  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.522  -3.171  -0.680  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.985  -1.447   1.718  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.103  -3.538  -0.347  1.00  0.00           H  
HETATM   76  H   UNL     1       0.831  -5.011   2.173  1.00  0.00           H  
HETATM   77  H   UNL     1       1.430  -5.537  -0.236  1.00  0.00           H  
HETATM   78  H   UNL     1       3.197  -5.146   0.118  1.00  0.00           H  
HETATM   79  H   UNL     1       3.934  -4.671   2.473  1.00  0.00           H  
HETATM   80  H   UNL     1       3.444  -4.489   4.805  1.00  0.00           H  
HETATM   81  H   UNL     1       1.614  -4.452   4.417  1.00  0.00           H  
HETATM   82  H   UNL     1       4.403  -3.754   0.384  1.00  0.00           H  
HETATM   83  H   UNL     1       6.950  -3.875   0.319  1.00  0.00           H  
HETATM   84  H   UNL     1       8.191  -0.124  -2.639  1.00  0.00           H  
HETATM   85  H   UNL     1       5.502   0.527  -0.299  1.00  0.00           H  
HETATM   86  H   UNL     1       9.406  -2.264  -2.782  1.00  0.00           H  
HETATM   87  H   UNL     1       7.654   1.749  -1.717  1.00  0.00           H  
HETATM   88  H   UNL     1       6.377   1.273  -2.866  1.00  0.00           H  
HETATM   89  H   UNL     1       5.708   2.832  -0.351  1.00  0.00           H  
HETATM   90  H   UNL     1       6.263   3.668  -1.823  1.00  0.00           H  
HETATM   91  H   UNL     1       4.439   2.659  -3.121  1.00  0.00           H  
HETATM   92  H   UNL     1       3.913   1.725  -1.699  1.00  0.00           H  
HETATM   93  H   UNL     1       3.497   3.864  -0.479  1.00  0.00           H  
HETATM   94  H   UNL     1       3.956   4.767  -1.944  1.00  0.00           H  
HETATM   95  H   UNL     1       1.750   4.644  -2.489  1.00  0.00           H  
HETATM   96  H   UNL     1       2.097   2.951  -2.916  1.00  0.00           H  
HETATM   97  H   UNL     1       1.764   2.674  -0.236  1.00  0.00           H  
HETATM   98  H   UNL     1       0.699   4.073  -0.520  1.00  0.00           H  
HETATM   99  H   UNL     1      -0.304   2.721  -2.468  1.00  0.00           H  
HETATM  100  H   UNL     1       0.559   1.316  -1.801  1.00  0.00           H  
HETATM  101  H   UNL     1      -1.966   2.019  -1.050  1.00  0.00           H  
HETATM  102  H   UNL     1      -0.532   3.159   1.230  1.00  0.00           H  
HETATM  103  H   UNL     1      -2.157   5.167   2.001  1.00  0.00           H  
HETATM  104  H   UNL     1      -2.295   6.806  -0.565  1.00  0.00           H  
HETATM  105  H   UNL     1      -3.645   6.328   0.497  1.00  0.00           H  
HETATM  106  H   UNL     1      -3.072   8.652   0.994  1.00  0.00           H  
HETATM  107  H   UNL     1      -2.537   7.643   2.363  1.00  0.00           H  
HETATM  108  H   UNL     1      -0.830   8.746   0.093  1.00  0.00           H  
HETATM  109  H   UNL     1      -0.724   9.157   1.817  1.00  0.00           H  
HETATM  110  H   UNL     1       1.551   7.706   2.652  1.00  0.00           H  
HETATM  111  H   UNL     1       2.047   6.814   1.193  1.00  0.00           H  
HETATM  112  H   UNL     1       1.648   8.546   1.086  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    7    7                                       
CONECT    3    2    4    4   10                                       
CONECT    4    3    3    5    8                                       
CONECT    5    4    6    6   65                                       
CONECT    6    5    5    7   68                                       
CONECT    7    2    2    6   62                                       
CONECT    8    4    9   66   67                                       
CONECT    9    8   10   11                                            
CONECT   10    3    9   63   64                                       
CONECT   11    9   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14                                                 
CONECT   14   13   15   18   69                                       
CONECT   15   14   16   70   71                                       
CONECT   16   15   17   45                                            
CONECT   17   16   18   19   74                                       
CONECT   18   14   17   72   73                                       
CONECT   19   17   20   61   61                                       
CONECT   20   19   21   75                                            
CONECT   21   20   22   23   26                                       
CONECT   22   21   23   24   76                                       
CONECT   23   21   22   77   78                                       
CONECT   24   22   25   25   79                                       
CONECT   25   24   24   80   81                                       
CONECT   26   21   27   60   60                                       
CONECT   27   26   28   82                                            
CONECT   28   27   29   58   58                                       
CONECT   28   59   59                                                 
CONECT   29   28   30   34   34                                       
CONECT   30   29   31   31   36                                       
CONECT   31   30   30   32   84                                       
CONECT   32   31   33   33   86                                       
CONECT   33   32   32   34   35                                       
CONECT   34   29   29   33   83                                       
CONECT   35   33                                                      
CONECT   36   30   37   85                                            
CONECT   37   36   38   87   88                                       
CONECT   38   37   39   89   90                                       
CONECT   39   38   40   91   92                                       
CONECT   40   39   41   93   94                                       
CONECT   41   40   42   95   96                                       
CONECT   42   41   43   97   98                                       
CONECT   43   42   44   99  100                                       
CONECT   44   43   45   47  101                                       
CONECT   45   16   44   46   46                                       
CONECT   46   45   45                                                 
CONECT   47   44   48  102                                            
CONECT   48   47   49   49   50                                       
CONECT   49   48   48                                                 
CONECT   50   48   51   55  103                                       
CONECT   51   50   52  104  105                                       
CONECT   52   51   53  106  107                                       
CONECT   53   52   54  108  109                                       
CONECT   54   53   55   57                                            
CONECT   55   50   54   56   56                                       
CONECT   56   55   55                                                 
CONECT   57   54  110  111  112                                       
CONECT   58   28   28                                                 
CONECT   59   28   28                                                 
CONECT   60   26   26                                                 
CONECT   61   19   19                                                 
CONECT   62    7                                                      
CONECT   63   10                                                      
CONECT   64   10                                                      
CONECT   65    5                                                      
CONECT   66    8                                                      
CONECT   67    8                                                      
CONECT   68    6                                                      
CONECT   69   14                                                      
CONECT   70   15                                                      
CONECT   71   15                                                      
CONECT   72   18                                                      
CONECT   73   18                                                      
CONECT   74   17                                                      
CONECT   75   20                                                      
CONECT   76   22                                                      
CONECT   77   23                                                      
CONECT   78   23                                                      
CONECT   79   24                                                      
CONECT   80   25                                                      
CONECT   81   25                                                      
CONECT   82   27                                                      
CONECT   83   34                                                      
CONECT   84   31                                                      
CONECT   85   36                                                      
CONECT   86   32                                                      
CONECT   87   37                                                      
CONECT   88   37                                                      
CONECT   89   38                                                      
CONECT   90   38                                                      
CONECT   91   39                                                      
CONECT   92   39                                                      
CONECT   93   40                                                      
CONECT   94   40                                                      
CONECT   95   41                                                      
CONECT   96   41                                                      
CONECT   97   42                                                      
CONECT   98   42                                                      
CONECT   99   43                                                      
CONECT  100   43                                                      
CONECT  101   44                                                      
CONECT  102   47                                                      
CONECT  103   50                                                      
CONECT  104   51                                                      
CONECT  105   51                                                      
CONECT  106   52                                                      
CONECT  107   52                                                      
CONECT  108   53                                                      
CONECT  109   53                                                      
CONECT  110   57                                                      
CONECT  111   57                                                      
CONECT  112   57                                                      
MASTER        0    0    0    0    0    0    0    0  112    0  112    0
END
