COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.057   1.974   0.762  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.927   0.508   0.343  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.570   0.288  -0.328  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.453   0.518   0.692  1.00  0.00           C  
HETATM    5  C   UNL     1       0.884   0.301   0.030  1.00  0.00           C  
HETATM    6  O   UNL     1       0.938  -0.007  -1.141  1.00  0.00           O  
HETATM    7  N   UNL     1       2.019   0.451   0.741  1.00  0.00           N  
HETATM    8  C   UNL     1       3.319   0.240   0.098  1.00  0.00           C  
HETATM    9  C   UNL     1       4.436   0.470   1.118  1.00  0.00           C  
HETATM   10  N   UNL     1       5.735   0.259   0.475  1.00  0.00           N  
HETATM   11  C   UNL     1       6.871   0.408   1.185  1.00  0.00           C  
HETATM   12  O   UNL     1       6.817   0.718   2.359  1.00  0.00           O  
HETATM   13  O   UNL     1       8.065   0.215   0.594  1.00  0.00           O  
HETATM   14  C   UNL     1       9.246   0.392   1.420  1.00  0.00           C  
HETATM   15  C   UNL     1      10.480   0.136   0.595  1.00  0.00           C  
HETATM   16  C   UNL     1      11.083   1.176  -0.087  1.00  0.00           C  
HETATM   17  C   UNL     1      12.216   0.940  -0.846  1.00  0.00           C  
HETATM   18 CL   UNL     1      12.974   2.247  -1.702  1.00  0.00          Cl  
HETATM   19  C   UNL     1      12.745  -0.336  -0.922  1.00  0.00           C  
HETATM   20  C   UNL     1      12.141  -1.376  -0.239  1.00  0.00           C  
HETATM   21 CL   UNL     1      12.804  -2.977  -0.333  1.00  0.00          Cl  
HETATM   22  C   UNL     1      11.011  -1.138   0.524  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.045   0.157  -0.640  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.953  -1.335  -1.048  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.316  -1.977  -0.670  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.270  -0.778  -0.665  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.540  -0.948   0.148  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.410  -2.057  -0.448  1.00  0.00           C  
HETATM   29  O   UNL     1      -7.701  -3.296  -0.399  1.00  0.00           O  
HETATM   30  C   UNL     1      -9.705  -2.177   0.357  1.00  0.00           C  
HETATM   31  C   UNL     1     -10.465  -0.851   0.306  1.00  0.00           C  
HETATM   32  C   UNL     1     -10.803  -0.513  -1.148  1.00  0.00           C  
HETATM   33  C   UNL     1     -11.565   0.813  -1.201  1.00  0.00           C  
HETATM   34  O   UNL     1     -11.879   1.128  -2.559  1.00  0.00           O  
HETATM   35  C   UNL     1     -10.696   1.924  -0.608  1.00  0.00           C  
HETATM   36  C   UNL     1     -10.357   1.586   0.846  1.00  0.00           C  
HETATM   37  C   UNL     1      -9.595   0.261   0.897  1.00  0.00           C  
HETATM   38  C   UNL     1      -9.253  -0.076   2.350  1.00  0.00           C  
HETATM   39  C   UNL     1      -8.306   0.382   0.081  1.00  0.00           C  
HETATM   40  C   UNL     1      -7.465   1.541   0.605  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.117   1.632  -0.131  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.406   0.307   0.032  1.00  0.00           C  
HETATM   43  C   UNL     1      -5.291  -0.038   1.518  1.00  0.00           C  
HETATM   44  H   UNL     1      -2.260   2.224   1.462  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.980   2.611  -0.119  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.024   2.131   1.240  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.004  -0.129   1.224  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.513  -0.733  -0.705  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.456   0.988  -1.156  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.510   1.539   1.069  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.567  -0.182   1.520  1.00  0.00           H  
HETATM   52  H   UNL     1       1.976   0.697   1.678  1.00  0.00           H  
HETATM   53  H   UNL     1       3.376  -0.781  -0.279  1.00  0.00           H  
HETATM   54  H   UNL     1       3.432   0.939  -0.730  1.00  0.00           H  
HETATM   55  H   UNL     1       4.378   1.491   1.495  1.00  0.00           H  
HETATM   56  H   UNL     1       4.322  -0.230   1.946  1.00  0.00           H  
HETATM   57  H   UNL     1       5.778   0.013  -0.462  1.00  0.00           H  
HETATM   58  H   UNL     1       9.271   1.413   1.804  1.00  0.00           H  
HETATM   59  H   UNL     1       9.214  -0.308   2.254  1.00  0.00           H  
HETATM   60  H   UNL     1      10.670   2.172  -0.028  1.00  0.00           H  
HETATM   61  H   UNL     1      13.627  -0.520  -1.518  1.00  0.00           H  
HETATM   62  H   UNL     1      10.539  -1.950   1.057  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.986   0.794  -1.522  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.784  -1.419  -2.121  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.145  -1.822  -0.503  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.618  -2.708  -1.420  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.265  -2.438   0.316  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.510  -0.479  -1.685  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.288  -1.193   1.179  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.647  -1.815  -1.484  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.193  -4.046  -0.762  1.00  0.00           H  
HETATM   72  H   UNL     1     -10.324  -2.968  -0.067  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.467  -2.419   1.393  1.00  0.00           H  
HETATM   74  H   UNL     1     -11.386  -0.937   0.882  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.882  -0.427  -1.724  1.00  0.00           H  
HETATM   76  H   UNL     1     -11.423  -1.305  -1.570  1.00  0.00           H  
HETATM   77  H   UNL     1     -12.486   0.726  -0.625  1.00  0.00           H  
HETATM   78  H   UNL     1     -12.363   1.957  -2.668  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.775   2.011  -1.184  1.00  0.00           H  
HETATM   80  H   UNL     1     -11.238   2.868  -0.645  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.739   2.378   1.268  1.00  0.00           H  
HETATM   82  H   UNL     1     -11.278   1.498   1.422  1.00  0.00           H  
HETATM   83  H   UNL     1     -10.172  -0.163   2.929  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.710  -1.020   2.386  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.633   0.716   2.770  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.565   0.589  -0.957  1.00  0.00           H  
HETATM   87  H   UNL     1      -8.013   2.473   0.461  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.282   1.397   1.669  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.285   1.821  -1.191  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.514   2.432   0.299  1.00  0.00           H  
HETATM   91  H   UNL     1      -6.284  -0.052   1.966  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.829  -1.020   1.628  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.676   0.710   2.019  1.00  0.00           H  
CONECT    1    2   44   45   46                                       
CONECT    2    1   23    3   47                                       
CONECT    3    2    4   48   49                                       
CONECT    4    3    5   50   51                                       
CONECT    5    6    6    7    4                                       
CONECT    6    5    5                                                 
CONECT    7    5    8   52                                            
CONECT    8    9    7   53   54                                       
CONECT    9   10    8   55   56                                       
CONECT   10   11    9   57                                            
CONECT   11   13   10   12   12                                       
CONECT   12   11   11                                                 
CONECT   13   14   11                                                 
CONECT   14   15   13   58   59                                       
CONECT   15   22   22   16   14                                       
CONECT   16   17   17   15   60                                       
CONECT   17   19   18   16   16                                       
CONECT   18   17                                                      
CONECT   19   20   20   17   61                                       
CONECT   20   21   19   19   22                                       
CONECT   21   20                                                      
CONECT   22   20   15   15   62                                       
CONECT   23   42    2   24   63                                       
CONECT   24   23   25   64   65                                       
CONECT   25   26   24   66   67                                       
CONECT   26   27   42   25   68                                       
CONECT   27   39   28   26   69                                       
CONECT   28   30   27   29   70                                       
CONECT   29   28   71                                                 
CONECT   30   31   28   72   73                                       
CONECT   31   37   32   30   74                                       
CONECT   32   33   31   75   76                                       
CONECT   33   35   34   32   77                                       
CONECT   34   33   78                                                 
CONECT   35   36   33   79   80                                       
CONECT   36   35   37   81   82                                       
CONECT   37   36   38   31   39                                       
CONECT   38   37   83   84   85                                       
CONECT   39   37   40   27   86                                       
CONECT   40   39   41   87   88                                       
CONECT   41   40   42   89   90                                       
CONECT   42   41   43   26   23                                       
CONECT   43   42   91   92   93                                       
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56    9                                                      
CONECT   57   10                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   16                                                      
CONECT   61   19                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   30                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   35                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
CONECT   83   38                                                      
CONECT   84   38                                                      
CONECT   85   38                                                      
CONECT   86   39                                                      
CONECT   87   40                                                      
CONECT   88   40                                                      
CONECT   89   41                                                      
CONECT   90   41                                                      
CONECT   91   43                                                      
CONECT   92   43                                                      
CONECT   93   43                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
