COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.049  -0.236  -0.729  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.610   2.592  -1.481  1.00  0.00           C  
HETATM    3  C   UNL     1       7.375  -0.036  -0.030  1.00  0.00           C  
HETATM    4  C   UNL     1       9.675   0.275   0.525  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.117  -1.584  -2.010  1.00  0.00           C  
HETATM    6  C   UNL     1      10.144  -0.063  -0.892  1.00  0.00           C  
HETATM    7  C   UNL     1      10.708  -0.224   1.537  1.00  0.00           C  
HETATM    8  C   UNL     1       9.518   1.791   0.662  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.954  -1.961  -1.090  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.855   0.258  -0.642  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.174   1.702  -0.567  1.00  0.00           C  
HETATM   12  N   UNL     1       1.434  -1.373  -0.830  1.00  0.00           N  
HETATM   13  N   UNL     1       6.163  -0.598   0.151  1.00  0.00           N  
HETATM   14  C   UNL     1       3.797  -1.010  -0.311  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.487  -0.180  -1.796  1.00  0.00           N  
HETATM   16  O   UNL     1       0.233  -0.430  -2.439  1.00  0.00           O  
HETATM   17  C   UNL     1       0.279  -1.199  -1.503  1.00  0.00           C  
HETATM   18  C   UNL     1       2.633  -0.632  -1.230  1.00  0.00           C  
HETATM   19  O   UNL     1       8.398  -0.368   0.779  1.00  0.00           O  
HETATM   20  O   UNL     1       7.543   0.769  -0.924  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.906   3.937  -1.403  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.765   4.404  -0.422  1.00  0.00           C  
HETATM   23 CL   UNL     1      -4.133   6.098  -0.329  1.00  0.00          Cl  
HETATM   24  C   UNL     1      -4.332   3.524   0.485  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.039   2.178   0.419  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.996  -0.498   0.607  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.542   0.097   1.793  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.676  -0.556   3.002  1.00  0.00           C  
HETATM   29  O   UNL     1      -2.229   0.031   4.144  1.00  0.00           O  
HETATM   30  C   UNL     1      -2.400  -0.701   5.359  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.267  -1.812   3.054  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.708  -2.413   1.893  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.564  -1.773   0.667  1.00  0.00           C  
HETATM   34  N   UNL     1      -3.957  -2.457  -0.486  1.00  0.00           N  
HETATM   35  C   UNL     1      -3.322  -2.430  -1.684  1.00  0.00           C  
HETATM   36  N   UNL     1      -3.949  -3.252  -2.476  1.00  0.00           N  
HETATM   37  N   UNL     1      -4.959  -3.760  -1.860  1.00  0.00           N  
HETATM   38  C   UNL     1      -5.016  -3.294  -0.638  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.057  -3.623   0.400  1.00  0.00           C  
HETATM   40  H   UNL     1       4.858   0.834  -0.652  1.00  0.00           H  
HETATM   41  H   UNL     1       5.304  -0.487  -1.759  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.939   2.230  -2.246  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.830  -1.735  -3.050  1.00  0.00           H  
HETATM   44  H   UNL     1      11.102   0.420  -1.082  1.00  0.00           H  
HETATM   45  H   UNL     1      10.256  -1.143  -0.989  1.00  0.00           H  
HETATM   46  H   UNL     1       9.408   0.293  -1.613  1.00  0.00           H  
HETATM   47  H   UNL     1      10.374   0.017   2.546  1.00  0.00           H  
HETATM   48  H   UNL     1      10.820  -1.304   1.440  1.00  0.00           H  
HETATM   49  H   UNL     1      11.666   0.259   1.347  1.00  0.00           H  
HETATM   50  H   UNL     1       9.183   2.032   1.671  1.00  0.00           H  
HETATM   51  H   UNL     1      10.476   2.274   0.471  1.00  0.00           H  
HETATM   52  H   UNL     1       8.782   2.147  -0.059  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.209  -1.711  -0.061  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.763  -3.031  -1.167  1.00  0.00           H  
HETATM   55  H   UNL     1       1.472  -1.988  -0.081  1.00  0.00           H  
HETATM   56  H   UNL     1       6.028  -1.241   0.865  1.00  0.00           H  
HETATM   57  H   UNL     1       3.988  -2.080  -0.388  1.00  0.00           H  
HETATM   58  H   UNL     1       3.542  -0.759   0.719  1.00  0.00           H  
HETATM   59  H   UNL     1       2.888  -0.883  -2.260  1.00  0.00           H  
HETATM   60  H   UNL     1       2.442   0.438  -1.153  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.467   4.628  -2.107  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.002   3.893   1.248  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.482   1.492   1.127  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.083   1.075   1.760  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.868  -1.649   5.290  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.002  -0.120   6.192  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.461  -0.890   5.523  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.382  -2.317   4.002  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.168  -3.389   1.937  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.926  -2.981   0.259  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.356  -4.666   0.297  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.642  -3.461   1.395  1.00  0.00           H  
CONECT    1   13   14   40   41                                       
CONECT    2   21   21   11   42                                       
CONECT    3   19   13   20   20                                       
CONECT    4    7    6    8   19                                       
CONECT    5   15    9   35   43                                       
CONECT    6    4   44   45   46                                       
CONECT    7    4   47   48   49                                       
CONECT    8    4   50   51   52                                       
CONECT    9   17    5   53   54                                       
CONECT   10   11   15   15   26                                       
CONECT   11   25   25    2   10                                       
CONECT   12   18   17   55                                            
CONECT   13    3    1   56                                            
CONECT   14    1   18   57   58                                       
CONECT   15   10   10    5                                            
CONECT   16   17   17                                                 
CONECT   17   12   16   16    9                                       
CONECT   18   14   12   59   60                                       
CONECT   19    4    3                                                 
CONECT   20    3    3                                                 
CONECT   21   22    2    2   61                                       
CONECT   22   23   24   24   21                                       
CONECT   23   22                                                      
CONECT   24   22   22   25   62                                       
CONECT   25   24   11   11   63                                       
CONECT   26   10   27   27   33                                       
CONECT   27   26   26   28   64                                       
CONECT   28   27   29   31   31                                       
CONECT   29   28   30                                                 
CONECT   30   29   65   66   67                                       
CONECT   31   28   28   32   68                                       
CONECT   32   33   33   31   69                                       
CONECT   33   26   34   32   32                                       
CONECT   34   35   33   38                                            
CONECT   35    5   36   36   34                                       
CONECT   36   35   35   37                                            
CONECT   37   36   38   38                                            
CONECT   38   34   37   37   39                                       
CONECT   39   38   70   71   72                                       
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54    9                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   21                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   27                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   39                                                      
CONECT   71   39                                                      
CONECT   72   39                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
