COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.926   3.296  -2.415  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.127   4.093  -2.932  1.00  0.00           C  
HETATM    3  O   UNL     1      -9.409   3.702  -4.278  1.00  0.00           O  
HETATM    4  C   UNL     1      -9.694   2.308  -4.425  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.500   1.493  -3.923  1.00  0.00           C  
HETATM    6  N   UNL     1      -8.214   1.859  -2.528  1.00  0.00           N  
HETATM    7  C   UNL     1      -7.108   1.056  -1.989  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.540  -0.409  -1.893  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.388  -1.244  -1.332  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.775  -2.724  -1.352  1.00  0.00           C  
HETATM   11  S   UNL     1      -5.409  -3.715  -0.687  1.00  0.00           S  
HETATM   12  C   UNL     1      -6.027  -5.362  -0.788  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.245  -6.428  -0.359  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.733  -7.717  -0.440  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.999  -7.948  -0.948  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.780  -6.890  -1.376  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.301  -5.598  -1.291  1.00  0.00           C  
HETATM   18  N   UNL     1      -6.111  -0.831   0.046  1.00  0.00           N  
HETATM   19  C   UNL     1      -5.267   0.254   0.293  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.998   0.644   1.599  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.163   1.717   1.840  1.00  0.00           C  
HETATM   22  S   UNL     1      -5.723  -0.229   2.947  1.00  0.00           S  
HETATM   23  O   UNL     1      -5.424  -1.593   2.683  1.00  0.00           O  
HETATM   24  O   UNL     1      -5.212   0.422   4.102  1.00  0.00           O  
HETATM   25  C   UNL     1      -7.503   0.076   2.780  1.00  0.00           C  
HETATM   26  F   UNL     1      -7.750   1.451   2.855  1.00  0.00           F  
HETATM   27  F   UNL     1      -7.945  -0.410   1.544  1.00  0.00           F  
HETATM   28  F   UNL     1      -8.188  -0.578   3.810  1.00  0.00           F  
HETATM   29  C   UNL     1      -4.690   0.942  -0.766  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.855   2.015  -0.518  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.594   2.404   0.783  1.00  0.00           C  
HETATM   32  S   UNL     1      -2.530   3.772   1.095  1.00  0.00           S  
HETATM   33  O   UNL     1      -2.557   4.577  -0.076  1.00  0.00           O  
HETATM   34  O   UNL     1      -2.874   4.263   2.383  1.00  0.00           O  
HETATM   35  N   UNL     1      -0.989   3.177   1.217  1.00  0.00           N  
HETATM   36  C   UNL     1      -0.398   2.612   0.147  1.00  0.00           C  
HETATM   37  O   UNL     1      -0.995   2.538  -0.910  1.00  0.00           O  
HETATM   38  C   UNL     1       0.976   2.081   0.256  1.00  0.00           C  
HETATM   39  C   UNL     1       1.590   1.494  -0.854  1.00  0.00           C  
HETATM   40  C   UNL     1       2.870   1.000  -0.750  1.00  0.00           C  
HETATM   41  C   UNL     1       1.666   2.170   1.468  1.00  0.00           C  
HETATM   42  C   UNL     1       2.946   1.675   1.569  1.00  0.00           C  
HETATM   43  C   UNL     1       3.555   1.084   0.462  1.00  0.00           C  
HETATM   44  C   UNL     1       4.935   0.551   0.572  1.00  0.00           C  
HETATM   45  C   UNL     1       5.622   0.634   1.782  1.00  0.00           C  
HETATM   46  C   UNL     1       6.906   0.136   1.878  1.00  0.00           C  
HETATM   47  C   UNL     1       5.547  -0.040  -0.532  1.00  0.00           C  
HETATM   48  C   UNL     1       6.830  -0.535  -0.424  1.00  0.00           C  
HETATM   49  C   UNL     1       7.510  -0.445   0.778  1.00  0.00           C  
HETATM   50  C   UNL     1       8.912  -0.986   0.889  1.00  0.00           C  
HETATM   51  C   UNL     1       8.949  -2.420   0.357  1.00  0.00           C  
HETATM   52  N   UNL     1      10.285  -2.990   0.575  1.00  0.00           N  
HETATM   53  C   UNL     1      11.288  -2.336  -0.293  1.00  0.00           C  
HETATM   54  C   UNL     1      12.303  -3.454  -0.636  1.00  0.00           C  
HETATM   55  C   UNL     1      11.373  -4.688  -0.780  1.00  0.00           C  
HETATM   56  C   UNL     1      10.295  -4.437   0.296  1.00  0.00           C  
HETATM   57  C   UNL     1       9.849  -0.126   0.081  1.00  0.00           C  
HETATM   58  C   UNL     1       9.703  -0.047  -1.291  1.00  0.00           C  
HETATM   59  C   UNL     1      10.563   0.742  -2.037  1.00  0.00           C  
HETATM   60  O   UNL     1      10.632   0.987  -3.379  1.00  0.00           O  
HETATM   61  C   UNL     1      11.434   2.174  -3.512  1.00  0.00           C  
HETATM   62  O   UNL     1      12.278   2.150  -2.346  1.00  0.00           O  
HETATM   63  C   UNL     1      11.575   1.458  -1.402  1.00  0.00           C  
HETATM   64  C   UNL     1      11.719   1.378  -0.027  1.00  0.00           C  
HETATM   65  C   UNL     1      10.852   0.590   0.716  1.00  0.00           C  
HETATM   66  O   UNL     1      10.990   0.516   2.067  1.00  0.00           O  
HETATM   67  C   UNL     1      12.045   1.280   2.654  1.00  0.00           C  
HETATM   68  H   UNL     1      -7.045   3.538  -3.009  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.743   3.549  -1.371  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.995   3.891  -2.304  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.896   5.158  -2.902  1.00  0.00           H  
HETATM   72  H   UNL     1     -10.579   2.055  -3.841  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.874   2.082  -5.476  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.735   0.430  -3.980  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.628   1.707  -4.541  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.245   1.138  -2.649  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.843   1.422  -0.997  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.403  -0.490  -1.233  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.805  -0.775  -2.885  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.498  -1.093  -1.942  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.665  -2.876  -0.741  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.981  -3.032  -2.377  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.256  -6.248   0.036  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.126  -8.545  -0.107  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.378  -8.958  -1.010  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.768  -7.075  -1.772  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.913  -4.772  -1.621  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.513  -1.311   0.787  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.954   2.021   2.855  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.893   0.639  -1.783  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.406   2.550  -1.341  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.512   3.236   2.060  1.00  0.00           H  
HETATM   93  H   UNL     1       1.059   1.429  -1.792  1.00  0.00           H  
HETATM   94  H   UNL     1       3.345   0.546  -1.608  1.00  0.00           H  
HETATM   95  H   UNL     1       1.194   2.627   2.325  1.00  0.00           H  
HETATM   96  H   UNL     1       3.479   1.744   2.506  1.00  0.00           H  
HETATM   97  H   UNL     1       5.152   1.087   2.642  1.00  0.00           H  
HETATM   98  H   UNL     1       7.440   0.200   2.815  1.00  0.00           H  
HETATM   99  H   UNL     1       5.017  -0.111  -1.471  1.00  0.00           H  
HETATM  100  H   UNL     1       7.305  -0.994  -1.279  1.00  0.00           H  
HETATM  101  H   UNL     1       9.222  -0.979   1.934  1.00  0.00           H  
HETATM  102  H   UNL     1       8.207  -3.022   0.882  1.00  0.00           H  
HETATM  103  H   UNL     1       8.725  -2.417  -0.710  1.00  0.00           H  
HETATM  104  H   UNL     1      10.816  -1.959  -1.200  1.00  0.00           H  
HETATM  105  H   UNL     1      11.783  -1.526   0.243  1.00  0.00           H  
HETATM  106  H   UNL     1      12.816  -3.241  -1.574  1.00  0.00           H  
HETATM  107  H   UNL     1      13.017  -3.596   0.175  1.00  0.00           H  
HETATM  108  H   UNL     1      10.927  -4.721  -1.773  1.00  0.00           H  
HETATM  109  H   UNL     1      11.920  -5.608  -0.574  1.00  0.00           H  
HETATM  110  H   UNL     1      10.541  -4.989   1.203  1.00  0.00           H  
HETATM  111  H   UNL     1       9.319  -4.749  -0.078  1.00  0.00           H  
HETATM  112  H   UNL     1       8.918  -0.602  -1.783  1.00  0.00           H  
HETATM  113  H   UNL     1      12.036   2.130  -4.421  1.00  0.00           H  
HETATM  114  H   UNL     1      10.805   3.064  -3.511  1.00  0.00           H  
HETATM  115  H   UNL     1      12.503   1.932   0.467  1.00  0.00           H  
HETATM  116  H   UNL     1      11.896   2.336   2.433  1.00  0.00           H  
HETATM  117  H   UNL     1      12.044   1.131   3.734  1.00  0.00           H  
HETATM  118  H   UNL     1      13.001   0.954   2.244  1.00  0.00           H  
CONECT    1    2    6   68   69                                       
CONECT    2    3    1   70   71                                       
CONECT    3    2    4                                                 
CONECT    4    3    5   72   73                                       
CONECT    5    4    6   74   75                                       
CONECT    6    1    5    7                                            
CONECT    7    6    8   76   77                                       
CONECT    8    7    9   78   79                                       
CONECT    9    8   10   18   80                                       
CONECT   10    9   11   81   82                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   13   17                                       
CONECT   13   12   12   14   83                                       
CONECT   14   13   15   15   84                                       
CONECT   15   14   14   16   85                                       
CONECT   16   17   17   15   86                                       
CONECT   17   12   16   16   87                                       
CONECT   18    9   19   88                                            
CONECT   19   18   29   29   20                                       
CONECT   20   19   22   21   21                                       
CONECT   21   20   20   31   89                                       
CONECT   22   23   23   25   20                                       
CONECT   22   24   24                                                 
CONECT   23   22   22                                                 
CONECT   24   22   22                                                 
CONECT   25   26   28   22   27                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
CONECT   29   19   19   30   90                                       
CONECT   30   29   31   31   91                                       
CONECT   31   30   30   21   32                                       
CONECT   32   31   34   34   33                                       
CONECT   32   33   35                                                 
CONECT   33   32   32                                                 
CONECT   34   32   32                                                 
CONECT   35   32   36   92                                            
CONECT   36   37   37   35   38                                       
CONECT   37   36   36                                                 
CONECT   38   36   41   41   39                                       
CONECT   39   38   40   40   93                                       
CONECT   40   39   39   43   94                                       
CONECT   41   38   38   42   95                                       
CONECT   42   41   43   43   96                                       
CONECT   43   42   42   40   44                                       
CONECT   44   43   45   45   47                                       
CONECT   45   44   44   46   97                                       
CONECT   46   45   49   49   98                                       
CONECT   47   44   48   48   99                                       
CONECT   48   47   47   49  100                                       
CONECT   49   46   46   48   50                                       
CONECT   50   49   57   51  101                                       
CONECT   51   50   52  102  103                                       
CONECT   52   51   56   53                                            
CONECT   53   52   54  104  105                                       
CONECT   54   53   55  106  107                                       
CONECT   55   56   54  108  109                                       
CONECT   56   52   55  110  111                                       
CONECT   57   58   50   65   65                                       
CONECT   58   59   59   57  112                                       
CONECT   59   60   58   58   63                                       
CONECT   60   61   59                                                 
CONECT   61   60   62  113  114                                       
CONECT   62   61   63                                                 
CONECT   63   59   62   64   64                                       
CONECT   64   63   63   65  115                                       
CONECT   65   57   57   64   66                                       
CONECT   66   65   67                                                 
CONECT   67   66  116  117  118                                       
CONECT   68    1                                                      
CONECT   69    1                                                      
CONECT   70    2                                                      
CONECT   71    2                                                      
CONECT   72    4                                                      
CONECT   73    4                                                      
CONECT   74    5                                                      
CONECT   75    5                                                      
CONECT   76    7                                                      
CONECT   77    7                                                      
CONECT   78    8                                                      
CONECT   79    8                                                      
CONECT   80    9                                                      
CONECT   81   10                                                      
CONECT   82   10                                                      
CONECT   83   13                                                      
CONECT   84   14                                                      
CONECT   85   15                                                      
CONECT   86   16                                                      
CONECT   87   17                                                      
CONECT   88   18                                                      
CONECT   89   21                                                      
CONECT   90   29                                                      
CONECT   91   30                                                      
CONECT   92   35                                                      
CONECT   93   39                                                      
CONECT   94   40                                                      
CONECT   95   41                                                      
CONECT   96   42                                                      
CONECT   97   45                                                      
CONECT   98   46                                                      
CONECT   99   47                                                      
CONECT  100   48                                                      
CONECT  101   50                                                      
CONECT  102   51                                                      
CONECT  103   51                                                      
CONECT  104   53                                                      
CONECT  105   53                                                      
CONECT  106   54                                                      
CONECT  107   54                                                      
CONECT  108   55                                                      
CONECT  109   55                                                      
CONECT  110   56                                                      
CONECT  111   56                                                      
CONECT  112   58                                                      
CONECT  113   61                                                      
CONECT  114   61                                                      
CONECT  115   64                                                      
CONECT  116   67                                                      
CONECT  117   67                                                      
CONECT  118   67                                                      
MASTER        0    0    0    0    0    0    0    0  118    0  118    0
END
