COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.205  -5.669   1.891  1.00  0.00           C  
HETATM    2  C   UNL     1       3.559  -4.812   0.832  1.00  0.00           C  
HETATM    3  C   UNL     1       2.796  -3.724   1.200  1.00  0.00           C  
HETATM    4  C   UNL     1       2.195  -2.925   0.226  1.00  0.00           C  
HETATM    5  C   UNL     1       2.363  -3.225  -1.121  1.00  0.00           C  
HETATM    6  C   UNL     1       3.134  -4.326  -1.495  1.00  0.00           C  
HETATM    7  C   UNL     1       3.312  -4.642  -2.880  1.00  0.00           C  
HETATM    8  N   UNL     1       3.454  -4.893  -3.979  1.00  0.00           N  
HETATM    9  C   UNL     1       3.739  -5.119  -0.508  1.00  0.00           C  
HETATM   10  O   UNL     1       4.490  -6.191  -0.865  1.00  0.00           O  
HETATM   11  C   UNL     1       1.375  -1.756   0.628  1.00  0.00           C  
HETATM   12  C   UNL     1       0.374  -1.741   1.544  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.139  -0.477   1.637  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.234  -0.083   2.527  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.538  -0.135   1.772  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.551  -0.470   0.606  1.00  0.00           O  
HETATM   17  N   UNL     1      -3.689   0.189   2.393  1.00  0.00           N  
HETATM   18  C   UNL     1      -4.880   0.254   1.666  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.866   0.494   0.297  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.073   0.550  -0.389  1.00  0.00           C  
HETATM   21  N   UNL     1      -7.221   0.378   0.248  1.00  0.00           N  
HETATM   22  C   UNL     1      -7.269   0.148   1.548  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.114   0.073   2.296  1.00  0.00           C  
HETATM   24 CL   UNL     1      -6.191  -0.236   4.003  1.00  0.00          Cl  
HETATM   25  N   UNL     1      -6.075   0.790  -1.759  1.00  0.00           N  
HETATM   26  C   UNL     1      -7.446   0.811  -2.288  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.399   1.018  -3.805  1.00  0.00           C  
HETATM   28  O   UNL     1      -6.689   2.225  -4.094  1.00  0.00           O  
HETATM   29  C   UNL     1      -5.350   2.239  -3.593  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.376   2.045  -2.075  1.00  0.00           C  
HETATM   31  C   UNL     1       0.514   0.365   0.785  1.00  0.00           C  
HETATM   32  N   UNL     1       0.394   1.673   0.505  1.00  0.00           N  
HETATM   33  C   UNL     1       1.162   2.251  -0.374  1.00  0.00           C  
HETATM   34  N   UNL     1       2.123   1.576  -1.055  1.00  0.00           N  
HETATM   35  C   UNL     1       2.957   2.280  -2.032  1.00  0.00           C  
HETATM   36  C   UNL     1       4.154   2.815  -1.361  1.00  0.00           C  
HETATM   37  C   UNL     1       5.108   3.241  -0.826  1.00  0.00           C  
HETATM   38  C   UNL     1       6.271   3.761  -0.174  1.00  0.00           C  
HETATM   39  C   UNL     1       7.309   4.497  -0.781  1.00  0.00           C  
HETATM   40  N   UNL     1       8.189   4.793   0.139  1.00  0.00           N  
HETATM   41  N   UNL     1       7.754   4.262   1.359  1.00  0.00           N  
HETATM   42  C   UNL     1       8.455   4.371   2.641  1.00  0.00           C  
HETATM   43  C   UNL     1       6.576   3.639   1.153  1.00  0.00           C  
HETATM   44  C   UNL     1       2.313   0.255  -0.834  1.00  0.00           C  
HETATM   45  O   UNL     1       3.172  -0.364  -1.438  1.00  0.00           O  
HETATM   46  C   UNL     1       1.491  -0.385   0.120  1.00  0.00           C  
HETATM   47  H   UNL     1       3.524  -6.471   2.175  1.00  0.00           H  
HETATM   48  H   UNL     1       5.127  -6.097   1.499  1.00  0.00           H  
HETATM   49  H   UNL     1       4.431  -5.058   2.765  1.00  0.00           H  
HETATM   50  H   UNL     1       2.664  -3.488   2.246  1.00  0.00           H  
HETATM   51  H   UNL     1       1.894  -2.611  -1.876  1.00  0.00           H  
HETATM   52  H   UNL     1       5.427  -5.988  -0.997  1.00  0.00           H  
HETATM   53  H   UNL     1       0.035  -2.596   2.111  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.278  -0.766   3.375  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.063   0.932   2.886  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.691   0.377   3.344  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.932   0.635  -0.225  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.226   0.014   2.030  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.936  -0.137  -2.065  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.003   1.626  -1.826  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.889   0.175  -4.271  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.415   1.089  -4.194  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.780   1.432  -4.054  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.883   3.195  -3.830  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.899   2.880  -1.610  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.355   1.998  -1.697  1.00  0.00           H  
HETATM   67  H   UNL     1       1.030   3.305  -0.568  1.00  0.00           H  
HETATM   68  H   UNL     1       3.260   1.588  -2.818  1.00  0.00           H  
HETATM   69  H   UNL     1       2.389   3.101  -2.470  1.00  0.00           H  
HETATM   70  H   UNL     1       7.367   4.770  -1.824  1.00  0.00           H  
HETATM   71  H   UNL     1       8.126   5.272   3.159  1.00  0.00           H  
HETATM   72  H   UNL     1       8.230   3.497   3.253  1.00  0.00           H  
HETATM   73  H   UNL     1       9.529   4.425   2.464  1.00  0.00           H  
HETATM   74  H   UNL     1       5.985   3.129   1.899  1.00  0.00           H  
CONECT    1    2   47   48   49                                       
CONECT    2    9    9    3    1                                       
CONECT    3    4    4    2   50                                       
CONECT    4    5   11    3    3                                       
CONECT    5    6    6    4   51                                       
CONECT    6    7    5    5    9                                       
CONECT    7    8    8    8    6                                       
CONECT    8    7    7    7                                            
CONECT    9    6   10    2    2                                       
CONECT   10    9   52                                                 
CONECT   11   46    4   12   12                                       
CONECT   12   13   11   11   53                                       
CONECT   13   31   14   12                                            
CONECT   14   13   15   54   55                                       
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   56                                            
CONECT   18   17   19   19   23                                       
CONECT   19   18   18   20   57                                       
CONECT   20   19   25   21   21                                       
CONECT   21   20   20   22                                            
CONECT   22   23   23   21   58                                       
CONECT   23   18   24   22   22                                       
CONECT   24   23                                                      
CONECT   25   30   20   26                                            
CONECT   26   25   27   59   60                                       
CONECT   27   28   26   61   62                                       
CONECT   28   29   27                                                 
CONECT   29   30   28   63   64                                       
CONECT   30   29   25   65   66                                       
CONECT   31   32   46   46   13                                       
CONECT   32   33   33   31                                            
CONECT   33   34   32   32   67                                       
CONECT   34   35   33   44                                            
CONECT   35   36   34   68   69                                       
CONECT   36   37   37   37   35                                       
CONECT   37   38   36   36   36                                       
CONECT   38   43   43   39   37                                       
CONECT   39   40   40   38   70                                       
CONECT   40   41   39   39                                            
CONECT   41   42   40   43                                            
CONECT   42   41   71   72   73                                       
CONECT   43   41   38   38   74                                       
CONECT   44   34   45   45   46                                       
CONECT   45   44   44                                                 
CONECT   46   44   31   31   11                                       
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    3                                                      
CONECT   51    5                                                      
CONECT   52   10                                                      
CONECT   53   12                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   17                                                      
CONECT   57   19                                                      
CONECT   58   22                                                      
CONECT   59   26                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   27                                                      
CONECT   63   29                                                      
CONECT   64   29                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
CONECT   67   33                                                      
CONECT   68   35                                                      
CONECT   69   35                                                      
CONECT   70   39                                                      
CONECT   71   42                                                      
CONECT   72   42                                                      
CONECT   73   42                                                      
CONECT   74   43                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
