COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.732  -0.738   1.031  1.00  0.00           C  
HETATM    2  C   UNL     1       4.207  -2.134   0.720  1.00  0.00           C  
HETATM    3  C   UNL     1       2.494  -0.421   0.189  1.00  0.00           C  
HETATM    4  C   UNL     1       1.960   0.935   0.572  1.00  0.00           C  
HETATM    5  C   UNL     1       5.944  -1.389  -2.461  1.00  0.00           C  
HETATM    6  C   UNL     1       0.224   2.643   0.500  1.00  0.00           C  
HETATM    7  C   UNL     1       2.958   3.372  -1.290  1.00  0.00           C  
HETATM    8 CL   UNL     1       3.937  -5.765   2.358  1.00  0.00          Cl  
HETATM    9  C   UNL     1       4.331  -4.458   1.286  1.00  0.00           C  
HETATM   10  C   UNL     1       5.080  -4.699   0.148  1.00  0.00           C  
HETATM   11  C   UNL     1       5.400  -3.659  -0.703  1.00  0.00           C  
HETATM   12  C   UNL     1       4.964  -2.372  -0.420  1.00  0.00           C  
HETATM   13  N   UNL     1       5.286  -1.315  -1.283  1.00  0.00           N  
HETATM   14  N   UNL     1       4.995   0.049  -1.108  1.00  0.00           N  
HETATM   15  N   UNL     1       5.472   0.664  -2.137  1.00  0.00           N  
HETATM   16  N   UNL     1       6.035  -0.173  -2.932  1.00  0.00           N  
HETATM   17  C   UNL     1       3.895  -3.175   1.571  1.00  0.00           C  
HETATM   18  O   UNL     1       2.571   1.628   1.359  1.00  0.00           O  
HETATM   19  N   UNL     1       0.803   1.379   0.041  1.00  0.00           N  
HETATM   20  C   UNL     1       0.633   3.768  -0.453  1.00  0.00           C  
HETATM   21  C   UNL     1       2.122   3.979  -0.371  1.00  0.00           C  
HETATM   22  C   UNL     1       4.325   3.566  -1.215  1.00  0.00           C  
HETATM   23  C   UNL     1       4.855   4.370  -0.224  1.00  0.00           C  
HETATM   24  C   UNL     1       4.019   4.982   0.691  1.00  0.00           C  
HETATM   25  C   UNL     1       2.654   4.779   0.623  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.279   2.527   0.525  1.00  0.00           C  
HETATM   27  N   UNL     1      -1.983   1.403   0.271  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.317   1.723   0.399  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.367   3.043   0.729  1.00  0.00           C  
HETATM   30 CL   UNL     1      -4.806   3.972   1.012  1.00  0.00          Cl  
HETATM   31  N   UNL     1      -2.109   3.497   0.802  1.00  0.00           N  
HETATM   32  C   UNL     1      -4.467   0.813   0.214  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.503  -0.057  -0.877  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.577  -0.904  -1.046  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.623  -0.893  -0.132  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.591  -0.029   0.956  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.517   0.817   1.134  1.00  0.00           C  
HETATM   38  N   UNL     1      -7.712  -1.755  -0.307  1.00  0.00           N  
HETATM   39  C   UNL     1      -7.526  -2.975  -0.848  1.00  0.00           C  
HETATM   40  O   UNL     1      -6.403  -3.363  -1.099  1.00  0.00           O  
HETATM   41  O   UNL     1      -8.586  -3.763  -1.112  1.00  0.00           O  
HETATM   42  C   UNL     1      -8.311  -5.064  -1.695  1.00  0.00           C  
HETATM   43  H   UNL     1       3.480  -0.667   2.089  1.00  0.00           H  
HETATM   44  H   UNL     1       4.523  -0.024   0.797  1.00  0.00           H  
HETATM   45  H   UNL     1       2.763  -0.420  -0.867  1.00  0.00           H  
HETATM   46  H   UNL     1       1.730  -1.176   0.368  1.00  0.00           H  
HETATM   47  H   UNL     1       6.327  -2.286  -2.924  1.00  0.00           H  
HETATM   48  H   UNL     1       0.588   2.867   1.503  1.00  0.00           H  
HETATM   49  H   UNL     1       2.544   2.743  -2.064  1.00  0.00           H  
HETATM   50  H   UNL     1       5.419  -5.701  -0.072  1.00  0.00           H  
HETATM   51  H   UNL     1       5.985  -3.848  -1.591  1.00  0.00           H  
HETATM   52  H   UNL     1       3.310  -2.989   2.460  1.00  0.00           H  
HETATM   53  H   UNL     1       0.355   0.860  -0.645  1.00  0.00           H  
HETATM   54  H   UNL     1       0.360   3.497  -1.473  1.00  0.00           H  
HETATM   55  H   UNL     1       0.119   4.687  -0.172  1.00  0.00           H  
HETATM   56  H   UNL     1       4.978   3.088  -1.930  1.00  0.00           H  
HETATM   57  H   UNL     1       5.923   4.521  -0.165  1.00  0.00           H  
HETATM   58  H   UNL     1       4.434   5.611   1.465  1.00  0.00           H  
HETATM   59  H   UNL     1       2.000   5.257   1.338  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.618   0.534   0.042  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.691  -0.065  -1.588  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.605  -1.577  -1.890  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.406  -0.023   1.665  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.491   1.486   1.982  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.601  -1.474  -0.038  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.679  -5.639  -1.018  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.248  -5.596  -1.856  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.798  -4.934  -2.648  1.00  0.00           H  
CONECT    1    2    3   43   44                                       
CONECT    2   12    1   17   17                                       
CONECT    3    1    4   45   46                                       
CONECT    4   19    3   18   18                                       
CONECT    5   16   16   13   47                                       
CONECT    6   20   19   26   48                                       
CONECT    7   21   21   22   49                                       
CONECT    8    9                                                      
CONECT    9   10   10   17    8                                       
CONECT   10   11    9    9   50                                       
CONECT   11   12   12   10   51                                       
CONECT   12   13   11   11    2                                       
CONECT   13    5   14   12                                            
CONECT   14   15   15   13                                            
CONECT   15   16   14   14                                            
CONECT   16    5    5   15                                            
CONECT   17    2    2    9   52                                       
CONECT   18    4    4                                                 
CONECT   19    6    4   53                                            
CONECT   20   21    6   54   55                                       
CONECT   21   25   20    7    7                                       
CONECT   22   23   23    7   56                                       
CONECT   23   24   22   22   57                                       
CONECT   24   25   25   23   58                                       
CONECT   25   24   24   21   59                                       
CONECT   26   31   31    6   27                                       
CONECT   27   26   28   60                                            
CONECT   28   29   29   27   32                                       
CONECT   29   30   31   28   28                                       
CONECT   30   29                                                      
CONECT   31   29   26   26                                            
CONECT   32   28   33   33   37                                       
CONECT   33   32   32   34   61                                       
CONECT   34   33   35   35   62                                       
CONECT   35   34   34   36   38                                       
CONECT   36   37   37   35   63                                       
CONECT   37   32   36   36   64                                       
CONECT   38   35   39   65                                            
CONECT   39   40   40   38   41                                       
CONECT   40   39   39                                                 
CONECT   41   39   42                                                 
CONECT   42   41   66   67   68                                       
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   17                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   22                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   27                                                      
CONECT   61   33                                                      
CONECT   62   34                                                      
CONECT   63   36                                                      
CONECT   64   37                                                      
CONECT   65   38                                                      
CONECT   66   42                                                      
CONECT   67   42                                                      
CONECT   68   42                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
