COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.800  -0.981   0.575  1.00  0.00           C  
HETATM    2  C   UNL     1       4.122  -1.404  -0.196  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.681   0.084   0.477  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.030  -0.144   0.240  1.00  0.00           C  
HETATM    5  C   UNL     1       1.469  -3.198   0.154  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.329  -3.448   0.571  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.977  -3.136  -0.013  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.872  -2.483  -1.367  1.00  0.00           C  
HETATM    9  C   UNL     1       0.114  -3.436   0.675  1.00  0.00           C  
HETATM   10  C   UNL     1       2.427  -2.806   0.990  1.00  0.00           C  
HETATM   11  C   UNL     1       3.861  -2.710   0.548  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.264  -2.278   0.441  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.493  -1.445   0.099  1.00  0.00           C  
HETATM   14  C   UNL     1       6.146  -0.015  -0.233  1.00  0.00           C  
HETATM   15  C   UNL     1       4.023   1.080  -0.050  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.609  -2.508   0.192  1.00  0.00           C  
HETATM   17  C   UNL     1       3.534  -0.228   0.580  1.00  0.00           C  
HETATM   18  C   UNL     1       3.475   2.271   0.730  1.00  0.00           C  
HETATM   19  C   UNL     1       2.372   2.953  -0.084  1.00  0.00           C  
HETATM   20  C   UNL     1       4.604   3.269   0.995  1.00  0.00           C  
HETATM   21  C   UNL     1       1.112   3.377   0.650  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.222   3.237  -0.085  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.343   2.976   0.919  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.876   1.577   0.740  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.154   2.555   0.632  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.217  -3.039  -0.273  1.00  0.00           C  
HETATM   27  C   UNL     1       4.647  -4.967   0.365  1.00  0.00           C  
HETATM   28  C   UNL     1       1.052   3.105   2.156  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.892   2.214  -2.131  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.863   1.102  -3.147  1.00  0.00           C  
HETATM   31  N   UNL     1       5.566  -1.212  -0.352  1.00  0.00           N  
HETATM   32  N   UNL     1      -3.230   1.418   0.618  1.00  0.00           N  
HETATM   33  O   UNL     1       4.160  -3.809  -0.316  1.00  0.00           O  
HETATM   34  O   UNL     1       5.470   1.123  -0.035  1.00  0.00           O  
HETATM   35  O   UNL     1       7.358   0.045  -0.308  1.00  0.00           O  
HETATM   36  O   UNL     1       2.067   4.324   0.190  1.00  0.00           O  
HETATM   37  O   UNL     1      -0.144   2.129  -1.020  1.00  0.00           O  
HETATM   38  O   UNL     1      -1.129   0.623   0.706  1.00  0.00           O  
HETATM   39  O   UNL     1      -6.811  -1.675  -0.139  1.00  0.00           O  
HETATM   40  O   UNL     1      -1.590   3.183  -2.316  1.00  0.00           O  
HETATM   41  O   UNL     1       3.516  -1.474  -1.495  1.00  0.00           O  
HETATM   42 CL   UNL     1      -6.133   1.191   0.119  1.00  0.00          Cl  
HETATM   43  H   UNL     1      -1.750  -0.799   0.752  1.00  0.00           H  
HETATM   44  H   UNL     1       1.698  -3.378  -0.885  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.755  -4.304   0.049  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.214  -3.696   1.626  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.868  -1.399  -1.248  1.00  0.00           H  
HETATM   48  H   UNL     1       0.052  -2.799  -1.852  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.724  -2.778  -1.980  1.00  0.00           H  
HETATM   50  H   UNL     1       0.006  -3.882   1.660  1.00  0.00           H  
HETATM   51  H   UNL     1       2.163  -2.538   2.005  1.00  0.00           H  
HETATM   52  H   UNL     1       4.509  -2.758   1.423  1.00  0.00           H  
HETATM   53  H   UNL     1       3.679   1.130  -1.085  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.970  -3.520   0.079  1.00  0.00           H  
HETATM   55  H   UNL     1       2.446  -0.269   0.536  1.00  0.00           H  
HETATM   56  H   UNL     1       3.860  -0.276   1.618  1.00  0.00           H  
HETATM   57  H   UNL     1       3.065   1.926   1.679  1.00  0.00           H  
HETATM   58  H   UNL     1       2.230   2.585  -1.100  1.00  0.00           H  
HETATM   59  H   UNL     1       5.015   3.614   0.046  1.00  0.00           H  
HETATM   60  H   UNL     1       4.213   4.121   1.553  1.00  0.00           H  
HETATM   61  H   UNL     1       5.389   2.784   1.576  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.432   4.156  -0.632  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.956   3.089   1.931  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.147   3.693   0.758  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.907   2.402   1.404  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.599   3.470   0.842  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.640   2.640  -0.340  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.290  -3.082  -0.460  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.685  -3.497  -1.106  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.987  -3.578   0.646  1.00  0.00           H  
HETATM   71  H   UNL     1       4.850  -5.756  -0.360  1.00  0.00           H  
HETATM   72  H   UNL     1       5.565  -4.717   0.896  1.00  0.00           H  
HETATM   73  H   UNL     1       3.898  -5.312   1.077  1.00  0.00           H  
HETATM   74  H   UNL     1       2.028   3.301   2.599  1.00  0.00           H  
HETATM   75  H   UNL     1       0.308   3.758   2.613  1.00  0.00           H  
HETATM   76  H   UNL     1       0.777   2.065   2.327  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.182   0.320  -2.810  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.864   0.687  -3.261  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.521   1.494  -4.105  1.00  0.00           H  
HETATM   80  H   UNL     1       6.121  -1.983  -0.549  1.00  0.00           H  
HETATM   81  H   UNL     1       3.847  -2.197  -2.045  1.00  0.00           H  
CONECT    1   12    3    3   43                                       
CONECT    2   11   41   31   17                                       
CONECT    3    1    1    4   32                                       
CONECT    4   13   13    3   42                                       
CONECT    5   10   10    9   44                                       
CONECT    6    7   12   45   46                                       
CONECT    7    9    9    6    8                                       
CONECT    8    7   47   48   49                                       
CONECT    9    5    7    7   50                                       
CONECT   10   11    5    5   51                                       
CONECT   11   33   10    2   52                                       
CONECT   12    6   16   16    1                                       
CONECT   13   16   39    4    4                                       
CONECT   14   31   35   35   34                                       
CONECT   15   17   34   18   53                                       
CONECT   16   12   12   13   54                                       
CONECT   17    2   15   55   56                                       
CONECT   18   15   19   20   57                                       
CONECT   19   21   18   36   58                                       
CONECT   20   18   59   60   61                                       
CONECT   21   28   22   19   36                                       
CONECT   22   37   21   23   62                                       
CONECT   23   22   24   63   64                                       
CONECT   24   32   23   38   38                                       
CONECT   25   32   65   66   67                                       
CONECT   26   39   68   69   70                                       
CONECT   27   33   71   72   73                                       
CONECT   28   21   74   75   76                                       
CONECT   29   30   37   40   40                                       
CONECT   30   29   77   78   79                                       
CONECT   31    2   14   80                                            
CONECT   32    3   25   24                                            
CONECT   33   27   11                                                 
CONECT   34   14   15                                                 
CONECT   35   14   14                                                 
CONECT   36   21   19                                                 
CONECT   37   29   22                                                 
CONECT   38   24   24                                                 
CONECT   39   26   13                                                 
CONECT   40   29   29                                                 
CONECT   41    2   81                                                 
CONECT   42    4                                                      
CONECT   43    1                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   25                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   27                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   28                                                      
CONECT   77   30                                                      
CONECT   78   30                                                      
CONECT   79   30                                                      
CONECT   80   31                                                      
CONECT   81   41                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
