COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.282  -0.082   0.397  1.00  0.00           C  
HETATM    2  C   UNL     1       0.896  -0.365  -0.338  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.731  -1.217  -0.285  1.00  0.00           C  
HETATM    4  C   UNL     1       0.615   1.080  -0.187  1.00  0.00           C  
HETATM    5  C   UNL     1       2.618   1.383  -1.523  1.00  0.00           C  
HETATM    6  C   UNL     1       2.115  -2.239  -0.290  1.00  0.00           C  
HETATM    7  C   UNL     1       3.072  -3.258  -0.182  1.00  0.00           C  
HETATM    8  C   UNL     1       2.724  -4.563  -0.502  1.00  0.00           C  
HETATM    9 CL   UNL     1       3.907  -5.826  -0.372  1.00  0.00          Cl  
HETATM   10  C   UNL     1       1.436  -4.866  -0.925  1.00  0.00           C  
HETATM   11  C   UNL     1       0.491  -3.888  -1.034  1.00  0.00           C  
HETATM   12  C   UNL     1       0.812  -2.560  -0.721  1.00  0.00           C  
HETATM   13  C   UNL     1       0.069  -1.352  -0.737  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.379  -1.199  -1.127  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.261  -1.372   0.111  1.00  0.00           C  
HETATM   16  O   UNL     1      -4.555  -1.378   0.872  1.00  0.00           O  
HETATM   17  O   UNL     1      -0.408   1.493   0.325  1.00  0.00           O  
HETATM   18  N   UNL     1       1.575   1.913  -0.659  1.00  0.00           N  
HETATM   19  N   UNL     1       2.149  -0.888  -0.059  1.00  0.00           N  
HETATM   20  C   UNL     1       3.798   0.787  -0.756  1.00  0.00           C  
HETATM   21  N   UNL     1       6.569  -2.394   0.274  1.00  0.00           N  
HETATM   22  C   UNL     1       7.911  -2.005  -0.167  1.00  0.00           C  
HETATM   23  C   UNL     1       5.501  -2.597  -0.525  1.00  0.00           C  
HETATM   24  C   UNL     1       5.476  -2.466  -2.026  1.00  0.00           C  
HETATM   25  C   UNL     1       4.449  -2.942   0.272  1.00  0.00           C  
HETATM   26  C   UNL     1       4.908  -2.946   1.604  1.00  0.00           C  
HETATM   27  C   UNL     1       4.084  -3.271   2.823  1.00  0.00           C  
HETATM   28  N   UNL     1       6.174  -2.623   1.598  1.00  0.00           N  
HETATM   29  C   UNL     1      -8.632  -1.048   0.327  1.00  0.00           C  
HETATM   30 CL   UNL     1     -10.347  -0.916   0.097  1.00  0.00          Cl  
HETATM   31  C   UNL     1      -8.121  -1.304   1.588  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.055  -1.462   2.760  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.757  -1.415   1.772  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.898  -1.270   0.692  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.411  -1.013  -0.570  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.776  -0.903  -0.751  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.335  -0.631  -2.124  1.00  0.00           C  
HETATM   38  C   UNL     1       1.534   5.985   0.357  1.00  0.00           C  
HETATM   39  C   UNL     1       2.218   5.065   1.149  1.00  0.00           C  
HETATM   40  C   UNL     1       2.933   5.524   2.353  1.00  0.00           C  
HETATM   41  O   UNL     1       3.531   4.725   3.047  1.00  0.00           O  
HETATM   42  O   UNL     1       2.925   6.830   2.685  1.00  0.00           O  
HETATM   43  C   UNL     1       2.230   3.705   0.807  1.00  0.00           C  
HETATM   44  C   UNL     1       1.563   3.268  -0.318  1.00  0.00           C  
HETATM   45  C   UNL     1       0.872   4.191  -1.120  1.00  0.00           C  
HETATM   46  C   UNL     1       0.855   5.555  -0.775  1.00  0.00           C  
HETATM   47  N   UNL     1       0.109   6.207  -1.733  1.00  0.00           N  
HETATM   48  C   UNL     1      -0.161   7.647  -1.753  1.00  0.00           C  
HETATM   49  C   UNL     1      -0.340   5.311  -2.661  1.00  0.00           C  
HETATM   50  C   UNL     1       0.083   4.074  -2.345  1.00  0.00           C  
HETATM   51  H   UNL     1       2.962   0.560   1.219  1.00  0.00           H  
HETATM   52  H   UNL     1       4.080  -0.740   0.740  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.890  -0.226  -0.709  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.990  -1.975  -1.023  1.00  0.00           H  
HETATM   55  H   UNL     1       2.187   0.608  -2.156  1.00  0.00           H  
HETATM   56  H   UNL     1       2.986   2.188  -2.158  1.00  0.00           H  
HETATM   57  H   UNL     1       1.181  -5.886  -1.171  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.508  -4.137  -1.362  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.538  -0.208  -1.552  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.638  -1.958  -1.866  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.002  -0.613   0.850  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.101  -2.363   0.536  1.00  0.00           H  
HETATM   63  H   UNL     1       4.414   1.592  -0.356  1.00  0.00           H  
HETATM   64  H   UNL     1       4.397   0.175  -1.431  1.00  0.00           H  
HETATM   65  H   UNL     1       7.987  -0.918  -0.186  1.00  0.00           H  
HETATM   66  H   UNL     1       8.651  -2.410   0.523  1.00  0.00           H  
HETATM   67  H   UNL     1       8.093  -2.399  -1.167  1.00  0.00           H  
HETATM   68  H   UNL     1       5.726  -3.426  -2.478  1.00  0.00           H  
HETATM   69  H   UNL     1       4.479  -2.162  -2.347  1.00  0.00           H  
HETATM   70  H   UNL     1       6.203  -1.716  -2.338  1.00  0.00           H  
HETATM   71  H   UNL     1       4.142  -4.340   3.026  1.00  0.00           H  
HETATM   72  H   UNL     1       4.468  -2.717   3.679  1.00  0.00           H  
HETATM   73  H   UNL     1       3.046  -2.990   2.645  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.337  -2.510   2.861  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.554  -1.131   3.671  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.948  -0.859   2.597  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.359  -1.614   2.756  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.744  -0.900  -1.412  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.416   0.446  -2.276  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.672  -1.055  -2.877  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.322  -1.085  -2.211  1.00  0.00           H  
HETATM   82  H   UNL     1       1.529   7.031   0.625  1.00  0.00           H  
HETATM   83  H   UNL     1       3.408   7.083   3.484  1.00  0.00           H  
HETATM   84  H   UNL     1       2.762   2.999   1.426  1.00  0.00           H  
HETATM   85  H   UNL     1       0.622   8.156  -2.317  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.125   7.829  -2.227  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.179   8.028  -0.732  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.948   5.559  -3.519  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.121   3.167  -2.894  1.00  0.00           H  
CONECT    1   19   20   51   52                                       
CONECT    2   13   13   19    4                                       
CONECT    3   16   15   53   54                                       
CONECT    4    2   17   17   18                                       
CONECT    5   18   20   55   56                                       
CONECT    6   12   12    7   19                                       
CONECT    7    8    8    6   25                                       
CONECT    8   10    9    7    7                                       
CONECT    9    8                                                      
CONECT   10   11   11    8   57                                       
CONECT   11   10   10   12   58                                       
CONECT   12   11   13    6    6                                       
CONECT   13   14   12    2    2                                       
CONECT   14   15   13   59   60                                       
CONECT   15    3   14   61   62                                       
CONECT   16   34    3                                                 
CONECT   17    4    4                                                 
CONECT   18    4    5   44                                            
CONECT   19    6    2    1                                            
CONECT   20    1    5   63   64                                       
CONECT   21   23   28   22                                            
CONECT   22   21   65   66   67                                       
CONECT   23   25   25   24   21                                       
CONECT   24   23   68   69   70                                       
CONECT   25    7   26   23   23                                       
CONECT   26   27   25   28   28                                       
CONECT   27   26   71   72   73                                       
CONECT   28   26   26   21                                            
CONECT   29   30   31   31   36                                       
CONECT   30   29                                                      
CONECT   31   32   29   29   33                                       
CONECT   32   31   74   75   76                                       
CONECT   33   31   34   34   77                                       
CONECT   34   33   33   35   16                                       
CONECT   35   36   36   34   78                                       
CONECT   36   29   37   35   35                                       
CONECT   37   36   79   80   81                                       
CONECT   38   39   39   46   82                                       
CONECT   39   43   40   38   38                                       
CONECT   40   39   41   41   42                                       
CONECT   41   40   40                                                 
CONECT   42   40   83                                                 
CONECT   43   44   44   39   84                                       
CONECT   44   18   43   43   45                                       
CONECT   45   44   50   46   46                                       
CONECT   46   45   45   38   47                                       
CONECT   47   49   46   48                                            
CONECT   48   47   85   86   87                                       
CONECT   49   50   50   47   88                                       
CONECT   50   45   49   49   89                                       
CONECT   51    1                                                      
CONECT   52    1                                                      
CONECT   53    3                                                      
CONECT   54    3                                                      
CONECT   55    5                                                      
CONECT   56    5                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   14                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   15                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   22                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   24                                                      
CONECT   71   27                                                      
CONECT   72   27                                                      
CONECT   73   27                                                      
CONECT   74   32                                                      
CONECT   75   32                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
CONECT   78   35                                                      
CONECT   79   37                                                      
CONECT   80   37                                                      
CONECT   81   37                                                      
CONECT   82   38                                                      
CONECT   83   42                                                      
CONECT   84   43                                                      
CONECT   85   48                                                      
CONECT   86   48                                                      
CONECT   87   48                                                      
CONECT   88   49                                                      
CONECT   89   50                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
