COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.679   0.819  -1.790  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.252  -0.511  -2.283  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.569  -1.665  -1.547  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.818  -1.529  -0.043  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.323  -1.569   0.230  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.006  -0.415  -0.506  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.084   0.923   0.541  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.630   1.868   1.076  1.00  0.00           O  
HETATM    9  C   UNL     1      -4.245  -0.199   0.450  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.490  -0.065   1.931  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.928   0.955  -0.286  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.757  -0.551  -2.010  1.00  0.00           C  
HETATM   13  O   UNL     1      -3.687  -0.693   2.804  1.00  0.00           O  
HETATM   14  O   UNL     1      -5.410   0.608   2.333  1.00  0.00           O  
HETATM   15 CL   UNL     1       3.418  -5.963   0.549  1.00  0.00          Cl  
HETATM   16  C   UNL     1       3.148  -4.304   0.117  1.00  0.00           C  
HETATM   17  C   UNL     1       2.074  -3.614   0.679  1.00  0.00           C  
HETATM   18  C   UNL     1       1.838  -2.311   0.359  1.00  0.00           C  
HETATM   19  C   UNL     1       3.991  -3.694  -0.762  1.00  0.00           C  
HETATM   20  C   UNL     1       3.778  -2.350  -1.115  1.00  0.00           C  
HETATM   21  C   UNL     1       2.684  -1.654  -0.546  1.00  0.00           C  
HETATM   22  N   UNL     1       4.591  -1.728  -1.975  1.00  0.00           N  
HETATM   23  C   UNL     1       4.405  -0.474  -2.314  1.00  0.00           C  
HETATM   24  C   UNL     1       3.354   0.276  -1.799  1.00  0.00           C  
HETATM   25  C   UNL     1       2.472  -0.303  -0.904  1.00  0.00           C  
HETATM   26  N   UNL     1       1.411   0.425  -0.366  1.00  0.00           N  
HETATM   27  N   UNL     1       0.077   0.005  -0.295  1.00  0.00           N  
HETATM   28  C   UNL     1       1.491   1.673   0.189  1.00  0.00           C  
HETATM   29  C   UNL     1       2.714   2.491   0.327  1.00  0.00           C  
HETATM   30  C   UNL     1       2.750   3.795  -0.181  1.00  0.00           C  
HETATM   31  O   UNL     1       1.659   4.314  -0.803  1.00  0.00           O  
HETATM   32  C   UNL     1       1.769   5.651  -1.296  1.00  0.00           C  
HETATM   33  C   UNL     1       3.901   4.554  -0.048  1.00  0.00           C  
HETATM   34  C   UNL     1       5.012   4.028   0.585  1.00  0.00           C  
HETATM   35  C   UNL     1       4.986   2.741   1.089  1.00  0.00           C  
HETATM   36  C   UNL     1       3.842   1.969   0.970  1.00  0.00           C  
HETATM   37  O   UNL     1       3.818   0.705   1.467  1.00  0.00           O  
HETATM   38  C   UNL     1       5.042   0.194   2.000  1.00  0.00           C  
HETATM   39  C   UNL     1       0.237   2.025   0.592  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.631   0.961   0.277  1.00  0.00           C  
HETATM   41  N   UNL     1      -2.804  -0.160   0.188  1.00  0.00           N  
HETATM   42  C   UNL     1      -6.433   0.915  -0.013  1.00  0.00           C  
HETATM   43  H   UNL     1      -3.607   0.848  -1.985  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.166   1.641  -2.314  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.075  -0.608  -3.354  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.977  -2.613  -1.898  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.497  -1.636  -1.741  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.331  -2.351   0.482  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.731  -2.516  -0.121  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.500  -1.472   1.301  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.078  -0.443  -0.311  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.520   1.903   0.065  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.244   0.271  -2.534  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.165  -1.499  -2.361  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.884  -0.577   3.744  1.00  0.00           H  
HETATM   56  H   UNL     1       1.422  -4.119   1.376  1.00  0.00           H  
HETATM   57  H   UNL     1       1.003  -1.787   0.801  1.00  0.00           H  
HETATM   58  H   UNL     1       4.821  -4.241  -1.185  1.00  0.00           H  
HETATM   59  H   UNL     1       5.087  -0.012  -3.012  1.00  0.00           H  
HETATM   60  H   UNL     1       3.226   1.307  -2.097  1.00  0.00           H  
HETATM   61  H   UNL     1       2.575   5.703  -2.027  1.00  0.00           H  
HETATM   62  H   UNL     1       0.830   5.942  -1.768  1.00  0.00           H  
HETATM   63  H   UNL     1       1.984   6.327  -0.468  1.00  0.00           H  
HETATM   64  H   UNL     1       3.930   5.560  -0.439  1.00  0.00           H  
HETATM   65  H   UNL     1       5.906   4.626   0.685  1.00  0.00           H  
HETATM   66  H   UNL     1       5.859   2.338   1.582  1.00  0.00           H  
HETATM   67  H   UNL     1       4.907  -0.850   2.282  1.00  0.00           H  
HETATM   68  H   UNL     1       5.825   0.269   1.246  1.00  0.00           H  
HETATM   69  H   UNL     1       5.325   0.774   2.878  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.041   2.954   1.068  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.369  -0.914  -0.239  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.920   1.737  -0.538  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.610   1.012   1.058  1.00  0.00           H  
CONECT    1   11    2   43   44                                       
CONECT    2    1   12    3   45                                       
CONECT    3    4    2   46   47                                       
CONECT    4    9    5    3   48                                       
CONECT    5    6    4   49   50                                       
CONECT    6   42    5   12   51                                       
CONECT    7    8    8   41   40                                       
CONECT    8    7    7                                                 
CONECT    9   10   11   41    4                                       
CONECT   10   14   14   13    9                                       
CONECT   11   42    9    1   52                                       
CONECT   12    6    2   53   54                                       
CONECT   13   10   55                                                 
CONECT   14   10   10                                                 
CONECT   15   16                                                      
CONECT   16   17   15   19   19                                       
CONECT   17   18   18   16   56                                       
CONECT   18   17   17   21   57                                       
CONECT   19   16   16   20   58                                       
CONECT   20   21   19   22   22                                       
CONECT   21   18   25   25   20                                       
CONECT   22   20   20   23                                            
CONECT   23   24   24   22   59                                       
CONECT   24   25   23   23   60                                       
CONECT   25   26   21   21   24                                       
CONECT   26   28   27   25                                            
CONECT   27   40   40   26                                            
CONECT   28   39   39   29   26                                       
CONECT   29   36   28   30   30                                       
CONECT   30   29   29   33   31                                       
CONECT   31   30   32                                                 
CONECT   32   31   61   62   63                                       
CONECT   33   34   34   30   64                                       
CONECT   34   35   33   33   65                                       
CONECT   35   36   36   34   66                                       
CONECT   36   37   35   35   29                                       
CONECT   37   38   36                                                 
CONECT   38   37   67   68   69                                       
CONECT   39   40   28   28   70                                       
CONECT   40    7   39   27   27                                       
CONECT   41    7    9   71                                            
CONECT   42   11    6   72   73                                       
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   32                                                      
CONECT   62   32                                                      
CONECT   63   32                                                      
CONECT   64   33                                                      
CONECT   65   34                                                      
CONECT   66   35                                                      
CONECT   67   38                                                      
CONECT   68   38                                                      
CONECT   69   38                                                      
CONECT   70   39                                                      
CONECT   71   41                                                      
CONECT   72   42                                                      
CONECT   73   42                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
