COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.498   2.461   1.944  1.00  0.00           C  
HETATM    2  C   UNL     1       5.296   1.157   1.919  1.00  0.00           C  
HETATM    3  C   UNL     1       4.848   0.307   0.729  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.196  -3.597   0.362  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.930  -4.926   0.266  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.370  -4.787   0.740  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.084  -3.708  -0.027  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.987  -4.036  -1.017  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.665  -3.043  -1.700  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.442  -1.715  -1.384  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.534  -1.385  -0.397  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.840  -2.368   0.280  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.775  -2.729   1.437  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.300   2.263   2.644  1.00  0.00           C  
HETATM   15  C   UNL     1       1.004   1.947   3.379  1.00  0.00           C  
HETATM   16  C   UNL     1       2.164   2.085   2.427  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.029   2.363   1.141  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.461   4.222   0.273  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.336   2.426  -0.679  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.561   1.413  -0.262  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.632   0.532  -0.851  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.520   1.049  -1.776  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.500   0.240  -2.320  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.592  -1.086  -1.940  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.703  -1.603  -1.015  1.00  0.00           C  
HETATM   26 CL   UNL     1       8.428   1.881  -3.662  1.00  0.00          Cl  
HETATM   27  C   UNL     1       7.589   0.601  -2.841  1.00  0.00           C  
HETATM   28  C   UNL     1       7.998   0.203  -1.581  1.00  0.00           C  
HETATM   29  C   UNL     1       7.330  -0.816  -0.928  1.00  0.00           C  
HETATM   30  C   UNL     1       6.510  -0.018  -3.445  1.00  0.00           C  
HETATM   31  C   UNL     1       5.842  -1.036  -2.791  1.00  0.00           C  
HETATM   32  C   UNL     1       6.254  -1.437  -1.534  1.00  0.00           C  
HETATM   33  C   UNL     1       5.527  -2.549  -0.822  1.00  0.00           C  
HETATM   34  C   UNL     1       4.388  -1.960   0.013  1.00  0.00           C  
HETATM   35  N   UNL     1       4.947  -1.117   1.078  1.00  0.00           N  
HETATM   36  C   UNL     1       3.573  -3.095   0.636  1.00  0.00           C  
HETATM   37  C   UNL     1       2.109  -2.880   0.348  1.00  0.00           C  
HETATM   38  O   UNL     1       1.727  -1.850  -0.165  1.00  0.00           O  
HETATM   39  N   UNL     1       1.224  -3.863   0.674  1.00  0.00           N  
HETATM   40  O   UNL     1      -0.177  -2.618   2.486  1.00  0.00           O  
HETATM   41  N   UNL     1      -1.922  -2.074   1.279  1.00  0.00           N  
HETATM   42  C   UNL     1      -2.241  -0.988   2.214  1.00  0.00           C  
HETATM   43  C   UNL     1      -1.280   0.153   2.003  1.00  0.00           C  
HETATM   44  O   UNL     1      -0.530   0.160   1.050  1.00  0.00           O  
HETATM   45  N   UNL     1      -1.266   1.178   2.902  1.00  0.00           N  
HETATM   46  O   UNL     1       1.995   1.977   1.231  1.00  0.00           O  
HETATM   47  N   UNL     1       3.405   2.333   2.930  1.00  0.00           N  
HETATM   48  C   UNL     1       3.644   2.464   4.370  1.00  0.00           C  
HETATM   49  C   UNL     1      -1.265   2.865   0.440  1.00  0.00           C  
HETATM   50  C   UNL     1      -2.202   1.967  -0.036  1.00  0.00           C  
HETATM   51  C   UNL     1      -3.530   3.785  -0.851  1.00  0.00           C  
HETATM   52 CL   UNL     1      -4.954   4.364  -1.659  1.00  0.00          Cl  
HETATM   53  C   UNL     1      -2.594   4.684  -0.370  1.00  0.00           C  
HETATM   54  C   UNL     1      -4.354   1.447  -1.203  1.00  0.00           C  
HETATM   55  C   UNL     1      -6.724  -0.793  -0.470  1.00  0.00           C  
HETATM   56  H   UNL     1       5.152   3.285   2.229  1.00  0.00           H  
HETATM   57  H   UNL     1       4.079   2.652   0.956  1.00  0.00           H  
HETATM   58  H   UNL     1       6.359   1.383   1.825  1.00  0.00           H  
HETATM   59  H   UNL     1       5.122   0.607   2.844  1.00  0.00           H  
HETATM   60  H   UNL     1       3.816   0.549   0.478  1.00  0.00           H  
HETATM   61  H   UNL     1       5.489   0.516  -0.128  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.249  -3.080  -0.595  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.925  -5.264  -0.770  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.420  -5.663   0.887  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.889  -5.734   0.594  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.376  -4.534   1.801  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.165  -5.073  -1.260  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.367  -3.304  -2.478  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.976  -0.937  -1.909  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.365  -0.346  -0.152  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.706   3.208   3.005  1.00  0.00           H  
HETATM   72  H   UNL     1       1.131   2.641   4.209  1.00  0.00           H  
HETATM   73  H   UNL     1       0.967   0.927   3.761  1.00  0.00           H  
HETATM   74  H   UNL     1       0.795   3.054   0.965  1.00  0.00           H  
HETATM   75  H   UNL     1       0.234   1.378   0.754  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.730   4.924   0.649  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.950   2.423  -0.134  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.255   1.016   0.706  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.449   2.085  -2.074  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.194   0.643  -3.043  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.358  -1.718  -2.364  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.775  -2.638  -0.718  1.00  0.00           H  
HETATM   83  H   UNL     1       8.838   0.688  -1.107  1.00  0.00           H  
HETATM   84  H   UNL     1       7.648  -1.126   0.056  1.00  0.00           H  
HETATM   85  H   UNL     1       6.187   0.296  -4.427  1.00  0.00           H  
HETATM   86  H   UNL     1       4.999  -1.519  -3.263  1.00  0.00           H  
HETATM   87  H   UNL     1       5.118  -3.244  -1.556  1.00  0.00           H  
HETATM   88  H   UNL     1       6.221  -3.077  -0.169  1.00  0.00           H  
HETATM   89  H   UNL     1       3.743  -1.357  -0.626  1.00  0.00           H  
HETATM   90  H   UNL     1       5.902  -1.374   1.280  1.00  0.00           H  
HETATM   91  H   UNL     1       3.891  -4.047   0.211  1.00  0.00           H  
HETATM   92  H   UNL     1       3.733  -3.107   1.714  1.00  0.00           H  
HETATM   93  H   UNL     1       1.509  -4.692   1.088  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.260  -0.642   2.035  1.00  0.00           H  
HETATM   95  H   UNL     1      -2.155  -1.352   3.237  1.00  0.00           H  
HETATM   96  H   UNL     1      -1.859   1.192   3.670  1.00  0.00           H  
HETATM   97  H   UNL     1       2.705   2.334   4.907  1.00  0.00           H  
HETATM   98  H   UNL     1       4.355   1.703   4.691  1.00  0.00           H  
HETATM   99  H   UNL     1       4.050   3.453   4.582  1.00  0.00           H  
HETATM  100  H   UNL     1      -2.049   0.905   0.095  1.00  0.00           H  
HETATM  101  H   UNL     1      -2.750   5.745  -0.497  1.00  0.00           H  
HETATM  102  H   UNL     1      -4.677   1.756  -2.197  1.00  0.00           H  
HETATM  103  H   UNL     1      -3.909   0.454  -1.258  1.00  0.00           H  
HETATM  104  H   UNL     1      -6.028  -1.198   0.249  1.00  0.00           H  
CONECT    1   47    2   56   57                                       
CONECT    2    1    3   58   59                                       
CONECT    3    2   35   60   61                                       
CONECT    4   13   39    5   62                                       
CONECT    5    4    6   63   64                                       
CONECT    6    7    5   65   66                                       
CONECT    7   12   12    8    6                                       
CONECT    8    9    9    7   67                                       
CONECT    9   10    8    8   68                                       
CONECT   10   11   11    9   69                                       
CONECT   11   10   10   12   70                                       
CONECT   12   11   41    7    7                                       
CONECT   13   41   40   40    4                                       
CONECT   14   15   17   45   71                                       
CONECT   15   16   14   72   73                                       
CONECT   16   46   46   47   15                                       
CONECT   17   14   49   74   75                                       
CONECT   18   49   49   53   76                                       
CONECT   19   54   50   50   51                                       
CONECT   20   21   54   77   78                                       
CONECT   21   22   22   55   20                                       
CONECT   22   23   21   21   79                                       
CONECT   23   24   24   22   80                                       
CONECT   24   23   23   25   81                                       
CONECT   25   24   55   55   82                                       
CONECT   26   27                                                      
CONECT   27   28   26   30   30                                       
CONECT   28   29   29   27   83                                       
CONECT   29   28   28   32   84                                       
CONECT   30   27   27   31   85                                       
CONECT   31   32   32   30   86                                       
CONECT   32   29   33   31   31                                       
CONECT   33   34   32   87   88                                       
CONECT   34   35   36   33   89                                       
CONECT   35    3   34   90                                            
CONECT   36   34   37   91   92                                       
CONECT   37   38   38   36   39                                       
CONECT   38   37   37                                                 
CONECT   39   37    4   93                                            
CONECT   40   13   13                                                 
CONECT   41   42   13   12                                            
CONECT   42   43   41   94   95                                       
CONECT   43   44   44   45   42                                       
CONECT   44   43   43                                                 
CONECT   45   14   43   96                                            
CONECT   46   16   16                                                 
CONECT   47   48   16    1                                            
CONECT   48   47   97   98   99                                       
CONECT   49   50   17   18   18                                       
CONECT   50   19   19   49  100                                       
CONECT   51   19   52   53   53                                       
CONECT   52   51                                                      
CONECT   53   51   51   18  101                                       
CONECT   54   20   19  102  103                                       
CONECT   55   25   25   21  104                                       
CONECT   56    1                                                      
CONECT   57    1                                                      
CONECT   58    2                                                      
CONECT   59    2                                                      
CONECT   60    3                                                      
CONECT   61    3                                                      
CONECT   62    4                                                      
CONECT   63    5                                                      
CONECT   64    5                                                      
CONECT   65    6                                                      
CONECT   66    6                                                      
CONECT   67    8                                                      
CONECT   68    9                                                      
CONECT   69   10                                                      
CONECT   70   11                                                      
CONECT   71   14                                                      
CONECT   72   15                                                      
CONECT   73   15                                                      
CONECT   74   17                                                      
CONECT   75   17                                                      
CONECT   76   18                                                      
CONECT   77   20                                                      
CONECT   78   20                                                      
CONECT   79   22                                                      
CONECT   80   23                                                      
CONECT   81   24                                                      
CONECT   82   25                                                      
CONECT   83   28                                                      
CONECT   84   29                                                      
CONECT   85   30                                                      
CONECT   86   31                                                      
CONECT   87   33                                                      
CONECT   88   33                                                      
CONECT   89   34                                                      
CONECT   90   35                                                      
CONECT   91   36                                                      
CONECT   92   36                                                      
CONECT   93   39                                                      
CONECT   94   42                                                      
CONECT   95   42                                                      
CONECT   96   45                                                      
CONECT   97   48                                                      
CONECT   98   48                                                      
CONECT   99   48                                                      
CONECT  100   50                                                      
CONECT  101   53                                                      
CONECT  102   54                                                      
CONECT  103   54                                                      
CONECT  104   55                                                      
MASTER        0    0    0    0    0    0    0    0  104    0  104    0
END
