COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.952  -1.927   2.815  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.655  -0.569   2.795  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.356   0.141   1.473  1.00  0.00           C  
HETATM    4  O   UNL     1      -7.063  -2.158  -3.059  1.00  0.00           O  
HETATM    5  O   UNL     1      -8.228  -2.108  -0.878  1.00  0.00           O  
HETATM    6  C   UNL     1       1.805   3.535  -0.095  1.00  0.00           C  
HETATM    7  C   UNL     1       2.615   4.781  -0.421  1.00  0.00           C  
HETATM    8  C   UNL     1       4.099   4.546  -0.178  1.00  0.00           C  
HETATM    9  C   UNL     1       4.583   3.349  -0.951  1.00  0.00           C  
HETATM   10  C   UNL     1       5.328   3.514  -2.099  1.00  0.00           C  
HETATM   11  C   UNL     1       5.795   2.411  -2.791  1.00  0.00           C  
HETATM   12  C   UNL     1       5.519   1.138  -2.325  1.00  0.00           C  
HETATM   13  C   UNL     1       4.770   0.972  -1.177  1.00  0.00           C  
HETATM   14  C   UNL     1       4.287   2.066  -0.487  1.00  0.00           C  
HETATM   15  C   UNL     1       2.483   2.703   0.951  1.00  0.00           C  
HETATM   16  C   UNL     1       1.896  -2.094   2.763  1.00  0.00           C  
HETATM   17  C   UNL     1       0.753  -1.598   3.651  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.550  -1.717   2.904  1.00  0.00           C  
HETATM   19  C   UNL     1       1.377  -2.333   1.344  1.00  0.00           C  
HETATM   20  C   UNL     1       3.276  -3.865   0.791  1.00  0.00           C  
HETATM   21  C   UNL     1       3.853  -2.434  -1.505  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.031   1.818  -0.663  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.020   1.342   0.177  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.870   0.340  -0.254  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.731  -0.185  -1.525  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.742   0.291  -2.365  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.892   1.293  -1.934  1.00  0.00           C  
HETATM   28  S   UNL     1      -7.813  -1.463  -2.074  1.00  0.00           S  
HETATM   29  C   UNL     1      -9.203  -0.581  -2.836  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.109   2.914  -0.196  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.882   2.296   0.478  1.00  0.00           C  
HETATM   32  N   UNL     1      -3.297   1.591   1.698  1.00  0.00           N  
HETATM   33  C   UNL     1      -1.889   3.401   0.841  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.516   3.028   0.341  1.00  0.00           C  
HETATM   35  O   UNL     1      -0.304   1.925  -0.116  1.00  0.00           O  
HETATM   36  N   UNL     1       0.482   3.954   0.412  1.00  0.00           N  
HETATM   37  O   UNL     1       2.056   2.725   2.086  1.00  0.00           O  
HETATM   38  N   UNL     1       3.538   1.941   0.675  1.00  0.00           N  
HETATM   39  C   UNL     1       3.942   0.922   1.653  1.00  0.00           C  
HETATM   40  C   UNL     1       2.880  -0.143   1.737  1.00  0.00           C  
HETATM   41  O   UNL     1       1.973  -0.178   0.932  1.00  0.00           O  
HETATM   42  N   UNL     1       2.958  -1.068   2.736  1.00  0.00           N  
HETATM   43  O   UNL     1      -0.565  -1.730   1.691  1.00  0.00           O  
HETATM   44  N   UNL     1      -1.712  -1.810   3.610  1.00  0.00           N  
HETATM   45  C   UNL     1      -1.730  -1.793   5.075  1.00  0.00           C  
HETATM   46  C   UNL     1       2.518  -2.759   0.457  1.00  0.00           C  
HETATM   47  C   UNL     1       2.806  -2.043  -0.690  1.00  0.00           C  
HETATM   48 CL   UNL     1       4.211  -1.539  -2.949  1.00  0.00          Cl  
HETATM   49  C   UNL     1       4.609  -3.546  -1.173  1.00  0.00           C  
HETATM   50 CL   UNL     1       5.924  -4.038  -2.194  1.00  0.00          Cl  
HETATM   51  C   UNL     1       4.323  -4.258  -0.022  1.00  0.00           C  
HETATM   52  H   UNL     1      -3.607  -2.671   3.268  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.708  -2.228   1.796  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.731  -0.715   2.893  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.294   0.040   3.624  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.399  -0.206   1.083  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.144  -0.083   0.753  1.00  0.00           H  
HETATM   58  H   UNL     1       1.659   2.945  -0.998  1.00  0.00           H  
HETATM   59  H   UNL     1       2.461   5.045  -1.467  1.00  0.00           H  
HETATM   60  H   UNL     1       2.277   5.603   0.210  1.00  0.00           H  
HETATM   61  H   UNL     1       4.659   5.427  -0.493  1.00  0.00           H  
HETATM   62  H   UNL     1       4.266   4.376   0.886  1.00  0.00           H  
HETATM   63  H   UNL     1       5.547   4.508  -2.461  1.00  0.00           H  
HETATM   64  H   UNL     1       6.374   2.543  -3.694  1.00  0.00           H  
HETATM   65  H   UNL     1       5.890   0.275  -2.859  1.00  0.00           H  
HETATM   66  H   UNL     1       4.559  -0.023  -0.816  1.00  0.00           H  
HETATM   67  H   UNL     1       2.296  -3.024   3.167  1.00  0.00           H  
HETATM   68  H   UNL     1       0.708  -2.201   4.558  1.00  0.00           H  
HETATM   69  H   UNL     1       0.925  -0.555   3.917  1.00  0.00           H  
HETATM   70  H   UNL     1       0.618  -3.116   1.361  1.00  0.00           H  
HETATM   71  H   UNL     1       0.940  -1.412   0.957  1.00  0.00           H  
HETATM   72  H   UNL     1       3.053  -4.421   1.689  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.129   1.752   1.170  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.642  -0.033   0.403  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.633  -0.119  -3.358  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.120   1.665  -2.591  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.931  -1.303  -3.208  1.00  0.00           H  
HETATM   78  H   UNL     1      -9.676   0.062  -2.094  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.838   0.026  -3.664  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.792   3.512  -1.051  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.633   3.551   0.517  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.408   1.592  -0.206  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.181   1.941   2.035  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.201   4.338   0.378  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.860   3.523   1.923  1.00  0.00           H  
HETATM   86  H   UNL     1       0.331   4.841   0.775  1.00  0.00           H  
HETATM   87  H   UNL     1       4.884   0.472   1.341  1.00  0.00           H  
HETATM   88  H   UNL     1       4.068   1.387   2.631  1.00  0.00           H  
HETATM   89  H   UNL     1       3.672  -1.053   3.393  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.711  -1.700   5.450  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.325  -0.948   5.421  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.169  -2.721   5.443  1.00  0.00           H  
HETATM   93  H   UNL     1       2.213  -1.178  -0.950  1.00  0.00           H  
HETATM   94  H   UNL     1       4.918  -5.120   0.241  1.00  0.00           H  
CONECT    1   44    2   52   53                                       
CONECT    2    1    3   54   55                                       
CONECT    3    2   32   56   57                                       
CONECT    4   28   28                                                 
CONECT    5   28   28                                                 
CONECT    6   15   36    7   58                                       
CONECT    7    6    8   59   60                                       
CONECT    8    9    7   61   62                                       
CONECT    9   14   10   10    8                                       
CONECT   10   11    9    9   63                                       
CONECT   11   12   12   10   64                                       
CONECT   12   13   11   11   65                                       
CONECT   13   14   14   12   66                                       
CONECT   14   38   13   13    9                                       
CONECT   15   37   37   38    6                                       
CONECT   16   17   19   42   67                                       
CONECT   17   18   16   68   69                                       
CONECT   18   43   43   44   17                                       
CONECT   19   16   46   70   71                                       
CONECT   20   46   46   51   72                                       
CONECT   21   48   47   47   49                                       
CONECT   22   27   30   23   23                                       
CONECT   23   22   22   24   73                                       
CONECT   24   25   25   23   74                                       
CONECT   25   26   28   24   24                                       
CONECT   26   27   27   25   75                                       
CONECT   27   26   26   22   76                                       
CONECT   28    4    4   25   29                                       
CONECT   28    5    5                                                 
CONECT   29   28   77   78   79                                       
CONECT   30   31   22   80   81                                       
CONECT   31   32   33   30   82                                       
CONECT   32    3   31   83                                            
CONECT   33   31   34   84   85                                       
CONECT   34   35   35   33   36                                       
CONECT   35   34   34                                                 
CONECT   36   34    6   86                                            
CONECT   37   15   15                                                 
CONECT   38   39   15   14                                            
CONECT   39   40   38   87   88                                       
CONECT   40   41   41   42   39                                       
CONECT   41   40   40                                                 
CONECT   42   16   40   89                                            
CONECT   43   18   18                                                 
CONECT   44   45   18    1                                            
CONECT   45   44   90   91   92                                       
CONECT   46   47   19   20   20                                       
CONECT   47   21   21   46   93                                       
CONECT   48   21                                                      
CONECT   49   21   50   51   51                                       
CONECT   50   49                                                      
CONECT   51   49   49   20   94                                       
CONECT   52    1                                                      
CONECT   53    1                                                      
CONECT   54    2                                                      
CONECT   55    2                                                      
CONECT   56    3                                                      
CONECT   57    3                                                      
CONECT   58    6                                                      
CONECT   59    7                                                      
CONECT   60    7                                                      
CONECT   61    8                                                      
CONECT   62    8                                                      
CONECT   63   10                                                      
CONECT   64   11                                                      
CONECT   65   12                                                      
CONECT   66   13                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   17                                                      
CONECT   70   19                                                      
CONECT   71   19                                                      
CONECT   72   20                                                      
CONECT   73   23                                                      
CONECT   74   24                                                      
CONECT   75   26                                                      
CONECT   76   27                                                      
CONECT   77   29                                                      
CONECT   78   29                                                      
CONECT   79   29                                                      
CONECT   80   30                                                      
CONECT   81   30                                                      
CONECT   82   31                                                      
CONECT   83   32                                                      
CONECT   84   33                                                      
CONECT   85   33                                                      
CONECT   86   36                                                      
CONECT   87   39                                                      
CONECT   88   39                                                      
CONECT   89   42                                                      
CONECT   90   45                                                      
CONECT   91   45                                                      
CONECT   92   45                                                      
CONECT   93   47                                                      
CONECT   94   51                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
