COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.079  -0.978  -0.397  1.00  0.00           C  
HETATM    2  O   UNL     1       6.734  -1.602   0.584  1.00  0.00           O  
HETATM    3  C   UNL     1       8.173  -1.514  -1.284  1.00  0.00           C  
HETATM    4  N   UNL     1       6.481   0.192  -0.696  1.00  0.00           N  
HETATM    5  C   UNL     1       5.337   0.653   0.094  1.00  0.00           C  
HETATM    6  C   UNL     1       4.071   0.047  -0.454  1.00  0.00           C  
HETATM    7  O   UNL     1       4.119  -0.698  -1.410  1.00  0.00           O  
HETATM    8  C   UNL     1       5.246   2.179   0.018  1.00  0.00           C  
HETATM    9  C   UNL     1       6.474   2.787   0.645  1.00  0.00           C  
HETATM   10  O   UNL     1       7.283   2.080   1.199  1.00  0.00           O  
HETATM   11  O   UNL     1       6.669   4.114   0.589  1.00  0.00           O  
HETATM   12  N   UNL     1       2.885   0.331   0.119  1.00  0.00           N  
HETATM   13  C   UNL     1       1.654  -0.258  -0.413  1.00  0.00           C  
HETATM   14  C   UNL     1       0.482   0.622  -0.062  1.00  0.00           C  
HETATM   15  O   UNL     1       0.658   1.642   0.571  1.00  0.00           O  
HETATM   16  C   UNL     1       1.449  -1.647   0.196  1.00  0.00           C  
HETATM   17  C   UNL     1       2.574  -2.576  -0.263  1.00  0.00           C  
HETATM   18  C   UNL     1       2.372  -3.944   0.336  1.00  0.00           C  
HETATM   19  O   UNL     1       1.425  -4.154   1.057  1.00  0.00           O  
HETATM   20  O   UNL     1       3.244  -4.929   0.070  1.00  0.00           O  
HETATM   21  N   UNL     1      -0.761   0.276  -0.451  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.900   1.132  -0.109  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.159   0.306  -0.083  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.184  -0.780  -0.623  1.00  0.00           O  
HETATM   25  C   UNL     1      -2.038   2.239  -1.157  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.814   3.155  -1.095  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.138   1.613  -2.550  1.00  0.00           C  
HETATM   28  N   UNL     1      -4.259   0.772   0.541  1.00  0.00           N  
HETATM   29  C   UNL     1      -5.448  -0.075   0.663  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.282   0.046  -0.586  1.00  0.00           C  
HETATM   31  O   UNL     1      -6.080   0.949  -1.362  1.00  0.00           O  
HETATM   32  C   UNL     1      -6.272   0.373   1.872  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.482   0.137   3.134  1.00  0.00           C  
HETATM   34  O   UNL     1      -4.374  -0.341   3.072  1.00  0.00           O  
HETATM   35  O   UNL     1      -6.010   0.457   4.325  1.00  0.00           O  
HETATM   36  C   UNL     1      -7.367  -0.961  -0.868  1.00  0.00           C  
HETATM   37 CL   UNL     1      -8.179  -0.549  -2.424  1.00  0.00          Cl  
HETATM   38  H   UNL     1       8.530  -2.465  -0.888  1.00  0.00           H  
HETATM   39  H   UNL     1       7.784  -1.663  -2.291  1.00  0.00           H  
HETATM   40  H   UNL     1       8.998  -0.801  -1.315  1.00  0.00           H  
HETATM   41  H   UNL     1       6.808   0.729  -1.435  1.00  0.00           H  
HETATM   42  H   UNL     1       5.466   0.348   1.133  1.00  0.00           H  
HETATM   43  H   UNL     1       5.181   2.487  -1.026  1.00  0.00           H  
HETATM   44  H   UNL     1       4.359   2.517   0.553  1.00  0.00           H  
HETATM   45  H   UNL     1       7.471   4.457   1.006  1.00  0.00           H  
HETATM   46  H   UNL     1       2.846   0.926   0.884  1.00  0.00           H  
HETATM   47  H   UNL     1       1.731  -0.345  -1.497  1.00  0.00           H  
HETATM   48  H   UNL     1       1.460  -1.572   1.283  1.00  0.00           H  
HETATM   49  H   UNL     1       0.490  -2.049  -0.131  1.00  0.00           H  
HETATM   50  H   UNL     1       2.563  -2.651  -1.351  1.00  0.00           H  
HETATM   51  H   UNL     1       3.533  -2.174   0.064  1.00  0.00           H  
HETATM   52  H   UNL     1       3.073  -5.789   0.477  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.902  -0.539  -0.957  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.738   1.579   0.872  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.938   2.820  -0.955  1.00  0.00           H  
HETATM   56  H   UNL     1       0.066   2.608  -1.431  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.974   4.018  -1.742  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.664   3.492  -0.070  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.010   0.961  -2.593  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.236   2.402  -3.296  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.238   1.032  -2.752  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.264   1.670   0.909  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.142  -1.113   0.797  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.503   1.434   1.781  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.199  -0.198   1.911  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.466   0.287   5.107  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.930  -1.957  -0.939  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.099  -0.942  -0.060  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    2    1    1                                                 
CONECT    3    1   38   39   40                                       
CONECT    4    5   41    1                                            
CONECT    5    4    6    8   42                                       
CONECT    6    5    7    7   12                                       
CONECT    7    6    6                                                 
CONECT    8    5    9   43   44                                       
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   45                                                 
CONECT   12   13   46    6                                            
CONECT   13   12   14   16   47                                       
CONECT   14   13   15   15   21                                       
CONECT   15   14   14                                                 
CONECT   16   13   17   48   49                                       
CONECT   17   16   18   50   51                                       
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   52                                                 
CONECT   21   22   53   14                                            
CONECT   22   21   23   25   54                                       
CONECT   23   22   24   24   28                                       
CONECT   24   23   23                                                 
CONECT   25   22   26   27   55                                       
CONECT   26   25   56   57   58                                       
CONECT   27   25   59   60   61                                       
CONECT   28   29   62   23                                            
CONECT   29   28   30   32   63                                       
CONECT   30   29   31   31   36                                       
CONECT   31   30   30                                                 
CONECT   32   29   33   64   65                                       
CONECT   33   32   34   34   35                                       
CONECT   34   33   33                                                 
CONECT   35   33   66                                                 
CONECT   36   37   67   68   30                                       
CONECT   37   36                                                      
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   22                                                      
CONECT   55   25                                                      
CONECT   56   26                                                      
CONECT   57   26                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
CONECT   60   27                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   32                                                      
CONECT   65   32                                                      
CONECT   66   35                                                      
CONECT   67   36                                                      
CONECT   68   36                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
