COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.053  -2.156   0.380  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.596  -2.375   0.831  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.095  -2.317   0.711  1.00  0.00           C  
HETATM    4  C   UNL     1       0.646  -1.624   1.651  1.00  0.00           C  
HETATM    5  C   UNL     1       2.022  -1.569   1.544  1.00  0.00           C  
HETATM    6  C   UNL     1       2.661  -2.210   0.491  1.00  0.00           C  
HETATM    7  C   UNL     1       4.638  -1.373   1.476  1.00  0.00           C  
HETATM    8  C   UNL     1       6.165  -1.456   1.405  1.00  0.00           C  
HETATM    9  C   UNL     1       6.638  -0.912   0.054  1.00  0.00           C  
HETATM   10  C   UNL     1       4.944   0.858   0.001  1.00  0.00           C  
HETATM   11  C   UNL     1       4.599   2.159  -0.102  1.00  0.00           C  
HETATM   12  C   UNL     1       3.152   2.573  -0.028  1.00  0.00           C  
HETATM   13  C   UNL     1       5.614   3.129  -0.279  1.00  0.00           C  
HETATM   14  C   UNL     1       7.219   1.431  -0.231  1.00  0.00           C  
HETATM   15  C   UNL     1       5.976  -1.712  -1.070  1.00  0.00           C  
HETATM   16  C   UNL     1       4.455  -1.622  -0.928  1.00  0.00           C  
HETATM   17  C   UNL     1       1.914  -2.905  -0.451  1.00  0.00           C  
HETATM   18  C   UNL     1       0.539  -2.961  -0.335  1.00  0.00           C  
HETATM   19  N   UNL     1       6.263   0.500  -0.063  1.00  0.00           N  
HETATM   20  N   UNL     1       6.902   2.735  -0.341  1.00  0.00           N  
HETATM   21  O   UNL     1       5.327   4.309  -0.374  1.00  0.00           O  
HETATM   22  O   UNL     1       8.385   1.091  -0.285  1.00  0.00           O  
HETATM   23  H   UNL     1      -1.958  -3.311   0.405  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.879  -2.322   1.883  1.00  0.00           H  
HETATM   25  H   UNL     1       0.148  -1.126   2.470  1.00  0.00           H  
HETATM   26  H   UNL     1       2.600  -1.027   2.279  1.00  0.00           H  
HETATM   27  H   UNL     1       4.326  -0.333   1.386  1.00  0.00           H  
HETATM   28  H   UNL     1       4.297  -1.774   2.431  1.00  0.00           H  
HETATM   29  H   UNL     1       6.599  -0.863   2.209  1.00  0.00           H  
HETATM   30  H   UNL     1       6.478  -2.495   1.509  1.00  0.00           H  
HETATM   31  H   UNL     1       7.721  -1.009  -0.018  1.00  0.00           H  
HETATM   32  H   UNL     1       4.183   0.104   0.136  1.00  0.00           H  
HETATM   33  H   UNL     1       2.884   2.775   1.009  1.00  0.00           H  
HETATM   34  H   UNL     1       3.000   3.474  -0.624  1.00  0.00           H  
HETATM   35  H   UNL     1       2.524   1.771  -0.416  1.00  0.00           H  
HETATM   36  H   UNL     1       6.276  -1.301  -2.034  1.00  0.00           H  
HETATM   37  H   UNL     1       6.286  -2.755  -1.006  1.00  0.00           H  
HETATM   38  H   UNL     1       3.981  -2.203  -1.719  1.00  0.00           H  
HETATM   39  H   UNL     1       4.144  -0.580  -1.006  1.00  0.00           H  
HETATM   40  H   UNL     1       2.408  -3.405  -1.271  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.042  -3.502  -1.067  1.00  0.00           H  
HETATM   42  H   UNL     1       7.604   3.394  -0.463  1.00  0.00           H  
HETATM   43  N   UNL     1      -2.188  -1.247   0.108  1.00  0.00           N  
HETATM   44  C   UNL     1      -3.526  -1.094   0.078  1.00  0.00           C  
HETATM   45  C   UNL     1      -4.135   0.066  -0.667  1.00  0.00           C  
HETATM   46  O   UNL     1      -4.241  -1.890   0.649  1.00  0.00           O  
HETATM   47  C   UNL     1      -4.646  -0.391  -2.055  1.00  0.00           C  
HETATM   48  N   UNL     1      -6.123  -0.195  -2.020  1.00  0.00           N  
HETATM   49  C   UNL     1      -6.439  -0.243  -0.581  1.00  0.00           C  
HETATM   50  N   UNL     1      -5.335   0.547   0.028  1.00  0.00           N  
HETATM   51  C   UNL     1      -4.024   0.469  -3.157  1.00  0.00           C  
HETATM   52  C   UNL     1      -4.441  -0.075  -4.525  1.00  0.00           C  
HETATM   53  C   UNL     1      -5.366   0.384   1.475  1.00  0.00           C  
HETATM   54  C   UNL     1      -6.666   1.020   1.992  1.00  0.00           C  
HETATM   55  C   UNL     1      -7.748   0.440  -0.209  1.00  0.00           C  
HETATM   56  C   UNL     1      -7.882   0.384   1.321  1.00  0.00           C  
HETATM   57  H   UNL     1      -1.616  -0.611  -0.349  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.408   0.871  -0.775  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.409  -1.442  -2.217  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.379   0.697  -2.417  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.417  -1.271  -0.221  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.370   1.498  -3.054  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.938   0.441  -3.071  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.998   0.538  -5.310  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.095  -1.103  -4.628  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.528  -0.046  -4.612  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.348  -0.676   1.728  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.507   0.885   1.921  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.733   0.874   3.070  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.731   1.478  -0.540  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.583  -0.084  -0.673  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.963  -0.657   1.636  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.781   0.921   1.623  1.00  0.00           H  
HETATM   74 CL   UNL     1      -6.647   2.787   1.632  1.00  0.00          Cl  
CONECT    1   16    7    6                                            
CONECT    2    3   23   24   43                                       
CONECT    3   18   18    4    2                                       
CONECT    4    5    5    3   25                                       
CONECT    5    6    4    4   26                                       
CONECT    6    1   17   17    5                                       
CONECT    7    8    1   27   28                                       
CONECT    8    9    7   29   30                                       
CONECT    9   19   15    8   31                                       
CONECT   10   19   11   11   32                                       
CONECT   11   13   10   10   12                                       
CONECT   12   11   33   34   35                                       
CONECT   13   20   21   21   11                                       
CONECT   14   22   22   20   19                                       
CONECT   15    9   16   36   37                                       
CONECT   16   15    1   38   39                                       
CONECT   17    6    6   18   40                                       
CONECT   18   17    3    3   41                                       
CONECT   19   14    9   10                                            
CONECT   20   14   13   42                                            
CONECT   21   13   13                                                 
CONECT   22   14   14                                                 
CONECT   23    2                                                      
CONECT   24    2                                                      
CONECT   25    4                                                      
CONECT   26    5                                                      
CONECT   27    7                                                      
CONECT   28    7                                                      
CONECT   29    8                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   12                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   20                                                      
CONECT   43    2   44   57                                            
CONECT   44   43   45   46   46                                       
CONECT   45   44   50   47   58                                       
CONECT   46   44   44                                                 
CONECT   47   48   45   51   59                                       
CONECT   48   47   49   60                                            
CONECT   49   48   50   55   61                                       
CONECT   50   49   45   53                                            
CONECT   51   47   52   62   63                                       
CONECT   52   51   64   65   66                                       
CONECT   53   54   50   67   68                                       
CONECT   54   53   56   69   74                                       
CONECT   55   56   49   70   71                                       
CONECT   56   55   54   72   73                                       
CONECT   57   43                                                      
CONECT   58   45                                                      
CONECT   59   47                                                      
CONECT   60   48                                                      
CONECT   61   49                                                      
CONECT   62   51                                                      
CONECT   63   51                                                      
CONECT   64   52                                                      
CONECT   65   52                                                      
CONECT   66   52                                                      
CONECT   67   53                                                      
CONECT   68   53                                                      
CONECT   69   54                                                      
CONECT   70   55                                                      
CONECT   71   55                                                      
CONECT   72   56                                                      
CONECT   73   56                                                      
CONECT   74   54                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
