COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.752  -1.425   0.807  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.856  -0.221   1.707  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.332   0.084   1.997  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.581   1.479   1.391  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.160   2.091   1.280  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.194   3.146   0.242  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.561   0.024  -2.141  1.00  0.00           C  
HETATM    8  C   UNL     1       4.201  -0.750  -0.708  1.00  0.00           C  
HETATM    9  C   UNL     1       5.523  -0.259  -0.176  1.00  0.00           C  
HETATM   10  C   UNL     1       5.287   0.927   0.760  1.00  0.00           C  
HETATM   11  C   UNL     1       6.594   1.340   1.387  1.00  0.00           C  
HETATM   12  C   UNL     1       7.101   0.631   2.461  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.561   0.473  -1.107  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.566   1.874  -0.569  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.474   2.257  -2.638  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.708   3.190  -2.546  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.392  -1.758  -3.775  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.097   0.920   0.399  1.00  0.00           C  
HETATM   19  C   UNL     1       3.742  -2.014   1.413  1.00  0.00           C  
HETATM   20  C   UNL     1       5.965   1.149  -2.115  1.00  0.00           C  
HETATM   21  C   UNL     1       2.118  -2.096  -0.341  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.685  -4.987   0.934  1.00  0.00           C  
HETATM   23  C   UNL     1       7.289   2.424   0.885  1.00  0.00           C  
HETATM   24  C   UNL     1       8.488   2.803   1.459  1.00  0.00           C  
HETATM   25  C   UNL     1       8.993   2.098   2.536  1.00  0.00           C  
HETATM   26  C   UNL     1       8.304   1.007   3.032  1.00  0.00           C  
HETATM   27  C   UNL     1       2.262  -2.955  -1.578  1.00  0.00           C  
HETATM   28  C   UNL     1       0.055  -2.273  -2.387  1.00  0.00           C  
HETATM   29  C   UNL     1       1.342  -3.037  -2.496  1.00  0.00           C  
HETATM   30  C   UNL     1       2.925  -3.319   1.586  1.00  0.00           C  
HETATM   31  C   UNL     1       1.145  -0.969  -0.567  1.00  0.00           C  
HETATM   32  C   UNL     1       6.839   1.582  -3.264  1.00  0.00           C  
HETATM   33  C   UNL     1       1.617  -2.971   0.827  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.461   2.319   2.319  1.00  0.00           C  
HETATM   35  C   UNL     1      -9.859   1.703   2.391  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.095  -3.727   0.296  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.605   3.293  -0.864  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.600   2.454  -1.526  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.299  -0.562  -3.367  1.00  0.00           C  
HETATM   40  N   UNL     1      -5.269   0.960   1.033  1.00  0.00           N  
HETATM   41  N   UNL     1      -2.450   1.440  -1.405  1.00  0.00           N  
HETATM   42  N   UNL     1       0.281  -1.046  -1.597  1.00  0.00           N  
HETATM   43  N   UNL     1       6.373   0.162  -1.293  1.00  0.00           N  
HETATM   44  N   UNL     1       3.424  -1.548   0.051  1.00  0.00           N  
HETATM   45  O   UNL     1      -6.224  -2.612   1.217  1.00  0.00           O  
HETATM   46  O   UNL     1      -5.247  -1.321  -0.286  1.00  0.00           O  
HETATM   47  O   UNL     1       1.144  -0.001   0.165  1.00  0.00           O  
HETATM   48  O   UNL     1       3.837  -0.428  -1.819  1.00  0.00           O  
HETATM   49  O   UNL     1       4.895   1.689  -1.930  1.00  0.00           O  
HETATM   50  O   UNL     1      -1.564  -0.036  -0.006  1.00  0.00           O  
HETATM   51  O   UNL     1      -3.384  -0.026   0.659  1.00  0.00           O  
HETATM   52 CL   UNL     1       6.228  -0.731   3.092  1.00  0.00          Cl  
HETATM   53  H   UNL     1      -5.329  -0.412   2.641  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.973  -0.656   1.518  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.511   0.099   3.072  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.038   1.393   0.405  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.896   2.552   2.232  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.864   3.959   0.481  1.00  0.00           H  
HETATM   59  H   UNL     1       0.060   0.865  -2.448  1.00  0.00           H  
HETATM   60  H   UNL     1       6.016  -1.063   0.372  1.00  0.00           H  
HETATM   61  H   UNL     1       4.877   1.762   0.192  1.00  0.00           H  
HETATM   62  H   UNL     1       4.584   0.639   1.542  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.195   2.715   0.016  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.562   1.609  -3.510  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.563   2.852  -2.709  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.424   4.174  -2.174  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.207   3.269  -3.512  1.00  0.00           H  
HETATM   68  H   UNL     1       0.461  -1.421  -4.363  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.961  -2.517  -4.311  1.00  0.00           H  
HETATM   70  H   UNL     1       3.433  -1.273   2.150  1.00  0.00           H  
HETATM   71  H   UNL     1       4.809  -2.219   1.504  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.739  -4.821   1.158  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.589  -5.824   0.242  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.149  -5.213   1.855  1.00  0.00           H  
HETATM   75  H   UNL     1       6.896   2.976   0.044  1.00  0.00           H  
HETATM   76  H   UNL     1       9.031   3.650   1.067  1.00  0.00           H  
HETATM   77  H   UNL     1       9.930   2.394   2.984  1.00  0.00           H  
HETATM   78  H   UNL     1       8.698   0.456   3.873  1.00  0.00           H  
HETATM   79  H   UNL     1       3.174  -3.520  -1.707  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.722  -2.888  -1.933  1.00  0.00           H  
HETATM   81  H   UNL     1       1.509  -3.670  -3.356  1.00  0.00           H  
HETATM   82  H   UNL     1       3.434  -4.163   1.121  1.00  0.00           H  
HETATM   83  H   UNL     1       2.725  -3.518   2.639  1.00  0.00           H  
HETATM   84  H   UNL     1       7.007   0.737  -3.931  1.00  0.00           H  
HETATM   85  H   UNL     1       6.347   2.385  -3.812  1.00  0.00           H  
HETATM   86  H   UNL     1       7.795   1.937  -2.879  1.00  0.00           H  
HETATM   87  H   UNL     1       0.938  -2.408   1.467  1.00  0.00           H  
HETATM   88  H   UNL     1       1.137  -3.875   0.453  1.00  0.00           H  
HETATM   89  H   UNL     1      -8.021   2.340   3.316  1.00  0.00           H  
HETATM   90  H   UNL     1      -8.531   3.336   1.931  1.00  0.00           H  
HETATM   91  H   UNL     1     -10.299   1.682   1.393  1.00  0.00           H  
HETATM   92  H   UNL     1      -9.789   0.687   2.778  1.00  0.00           H  
HETATM   93  H   UNL     1     -10.486   2.302   3.052  1.00  0.00           H  
HETATM   94  H   UNL     1      -5.042  -3.893   0.072  1.00  0.00           H  
HETATM   95  H   UNL     1      -6.632  -3.501  -0.626  1.00  0.00           H  
HETATM   96  H   UNL     1      -5.886   4.180  -1.412  1.00  0.00           H  
HETATM   97  H   UNL     1      -5.103   1.636  -2.042  1.00  0.00           H  
HETATM   98  H   UNL     1      -2.294  -0.909  -3.090  1.00  0.00           H  
HETATM   99  H   UNL     1      -1.355   0.172  -4.171  1.00  0.00           H  
HETATM  100  H   UNL     1       7.229  -0.270  -1.441  1.00  0.00           H  
CONECT    1    2   45   46   46                                       
CONECT    2    3   40    1   53                                       
CONECT    3    4    2   54   55                                       
CONECT    4   34    5    3   56                                       
CONECT    5    6    4   40   57                                       
CONECT    6    5   37   37   58                                       
CONECT    7   42   13   39   59                                       
CONECT    8    9   44   48   48                                       
CONECT    9   10   43    8   60                                       
CONECT   10   11    9   61   62                                       
CONECT   11   12   12   23   10                                       
CONECT   12   26   52   11   11                                       
CONECT   13   50   50    7   41                                       
CONECT   14   41   38   18   63                                       
CONECT   15   16   41   64   65                                       
CONECT   16   38   15   66   67                                       
CONECT   17   28   39   68   69                                       
CONECT   18   14   40   51   51                                       
CONECT   19   30   44   70   71                                       
CONECT   20   49   49   32   43                                       
CONECT   21   44   33   31   27                                       
CONECT   22   36   72   73   74                                       
CONECT   23   24   24   11   75                                       
CONECT   24   25   23   23   76                                       
CONECT   25   26   26   24   77                                       
CONECT   26   25   25   12   78                                       
CONECT   27   21   29   29   79                                       
CONECT   28   42   29   17   80                                       
CONECT   29   27   27   28   81                                       
CONECT   30   19   33   82   83                                       
CONECT   31   47   47   21   42                                       
CONECT   32   20   84   85   86                                       
CONECT   33   30   21   87   88                                       
CONECT   34   35    4   89   90                                       
CONECT   35   34   91   92   93                                       
CONECT   36   45   22   94   95                                       
CONECT   37    6    6   38   96                                       
CONECT   38   14   16   37   97                                       
CONECT   39    7   17   98   99                                       
CONECT   40    5   18    2                                            
CONECT   41   13   14   15                                            
CONECT   42   31    7   28                                            
CONECT   43   20    9  100                                            
CONECT   44   19    8   21                                            
CONECT   45    1   36                                                 
CONECT   46    1    1                                                 
CONECT   47   31   31                                                 
CONECT   48    8    8                                                 
CONECT   49   20   20                                                 
CONECT   50   13   13                                                 
CONECT   51   18   18                                                 
CONECT   52   12                                                      
CONECT   53    2                                                      
CONECT   54    3                                                      
CONECT   55    3                                                      
CONECT   56    4                                                      
CONECT   57    5                                                      
CONECT   58    6                                                      
CONECT   59    7                                                      
CONECT   60    9                                                      
CONECT   61   10                                                      
CONECT   62   10                                                      
CONECT   63   14                                                      
CONECT   64   15                                                      
CONECT   65   15                                                      
CONECT   66   16                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   17                                                      
CONECT   70   19                                                      
CONECT   71   19                                                      
CONECT   72   22                                                      
CONECT   73   22                                                      
CONECT   74   22                                                      
CONECT   75   23                                                      
CONECT   76   24                                                      
CONECT   77   25                                                      
CONECT   78   26                                                      
CONECT   79   27                                                      
CONECT   80   28                                                      
CONECT   81   29                                                      
CONECT   82   30                                                      
CONECT   83   30                                                      
CONECT   84   32                                                      
CONECT   85   32                                                      
CONECT   86   32                                                      
CONECT   87   33                                                      
CONECT   88   33                                                      
CONECT   89   34                                                      
CONECT   90   34                                                      
CONECT   91   35                                                      
CONECT   92   35                                                      
CONECT   93   35                                                      
CONECT   94   36                                                      
CONECT   95   36                                                      
CONECT   96   37                                                      
CONECT   97   38                                                      
CONECT   98   39                                                      
CONECT   99   39                                                      
CONECT  100   43                                                      
MASTER        0    0    0    0    0    0    0    0  100    0  100    0
END
