COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.500   0.163   0.298  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.343  -1.454   3.342  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.094   0.917  -1.268  1.00  0.00           N  
HETATM    4  C   UNL     1      -4.020  -1.343  -1.213  1.00  0.00           C  
HETATM    5  N   UNL     1       1.022  -3.951  -1.149  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.821  -2.893   0.056  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.057  -2.274   0.032  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.800  -2.954  -2.345  1.00  0.00           C  
HETATM    9  C   UNL     1       3.218  -1.524   0.316  1.00  0.00           C  
HETATM   10  C   UNL     1       2.477   3.376  -0.038  1.00  0.00           C  
HETATM   11  C   UNL     1       2.978   4.674  -0.046  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.202  -3.261  -1.118  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.543  -0.602   2.370  1.00  0.00           N  
HETATM   14  C   UNL     1       5.641   1.350   0.106  1.00  0.00           C  
HETATM   15  C   UNL     1       3.408   2.224   0.036  1.00  0.00           C  
HETATM   16  C   UNL     1       5.130   0.064   0.175  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.245   4.013  -0.285  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.544   0.715   0.659  1.00  0.00           C  
HETATM   19  N   UNL     1      -6.159   0.238   0.625  1.00  0.00           N  
HETATM   20  C   UNL     1      -5.352   0.583  -0.398  1.00  0.00           C  
HETATM   21  O   UNL     1      -5.743   1.361  -1.242  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.965   0.003  -0.492  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.663  -1.999  -1.181  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.026  -2.320  -2.364  1.00  0.00           C  
HETATM   25  C   UNL     1       2.139  -3.161  -1.188  1.00  0.00           C  
HETATM   26  O   UNL     1       3.178  -3.611  -1.624  1.00  0.00           O  
HETATM   27  C   UNL     1       2.090  -1.739  -0.694  1.00  0.00           C  
HETATM   28  C   UNL     1       3.762  -0.147   0.179  1.00  0.00           C  
HETATM   29  C   UNL     1       2.898   0.928   0.088  1.00  0.00           C  
HETATM   30  C   UNL     1       4.783   2.430   0.034  1.00  0.00           C  
HETATM   31 CL   UNL     1       6.213  -1.291   0.255  1.00  0.00          Cl  
HETATM   32  C   UNL     1       2.109   5.743  -0.119  1.00  0.00           C  
HETATM   33  C   UNL     1       0.746   5.524  -0.200  1.00  0.00           C  
HETATM   34  C   UNL     1       0.244   4.236  -0.204  1.00  0.00           C  
HETATM   35  C   UNL     1       1.104   3.158  -0.127  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.531   2.828  -1.204  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.430   1.841  -0.509  1.00  0.00           C  
HETATM   38  O   UNL     1      -2.562   1.865   0.697  1.00  0.00           O  
HETATM   39  N   UNL     1       0.799  -1.489  -0.048  1.00  0.00           N  
HETATM   40  C   UNL     1       0.562  -1.962   1.191  1.00  0.00           C  
HETATM   41  O   UNL     1       1.372  -2.696   1.727  1.00  0.00           O  
HETATM   42  C   UNL     1      -0.675  -1.592   1.897  1.00  0.00           C  
HETATM   43  C   UNL     1      -1.144  -2.124   3.085  1.00  0.00           C  
HETATM   44  N   UNL     1      -1.590  -0.655   1.510  1.00  0.00           N  
HETATM   45  H   UNL     1      -0.922   1.063   0.510  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.008  -0.407  -0.490  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.502   0.443  -0.027  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.988  -1.609   4.194  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.001   0.863  -2.232  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.746  -1.989  -0.719  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.322  -1.187  -2.249  1.00  0.00           H  
HETATM   52  H   UNL     1       1.072  -4.919  -1.142  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.337  -3.088   1.002  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.548  -2.007   0.956  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.305  -3.209  -3.271  1.00  0.00           H  
HETATM   56  H   UNL     1       2.834  -1.681   1.324  1.00  0.00           H  
HETATM   57  H   UNL     1       4.018  -2.239   0.122  1.00  0.00           H  
HETATM   58  H   UNL     1       4.043   4.845   0.006  1.00  0.00           H  
HETATM   59  H   UNL     1       6.709   1.508   0.110  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.636   3.803   0.711  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.725   4.906  -0.683  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.037   0.336   1.555  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.553   1.805   0.673  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.073   0.359  -0.225  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.823  -0.326   1.339  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.555  -0.132   0.509  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.489  -2.073  -3.308  1.00  0.00           H  
HETATM   68  H   UNL     1       2.218  -1.056  -1.534  1.00  0.00           H  
HETATM   69  H   UNL     1       1.831   0.765   0.057  1.00  0.00           H  
HETATM   70  H   UNL     1       5.180   3.433  -0.023  1.00  0.00           H  
HETATM   71  H   UNL     1       2.494   6.752  -0.112  1.00  0.00           H  
HETATM   72  H   UNL     1       0.069   6.364  -0.260  1.00  0.00           H  
HETATM   73  H   UNL     1       0.714   2.151  -0.136  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.018   3.184  -2.112  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.593   2.339  -1.467  1.00  0.00           H  
HETATM   76  H   UNL     1       0.115  -0.982  -0.512  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.682  -2.892   3.687  1.00  0.00           H  
CONECT    1   44   45   46   47                                       
CONECT    2   43   13   13   48                                       
CONECT    3   37   22   49                                            
CONECT    4   22   23   50   51                                       
CONECT    5   25   12   52                                            
CONECT    6    7    7   12   53                                       
CONECT    7    6    6   23   54                                       
CONECT    8   12   12   24   55                                       
CONECT    9   27   28   56   57                                       
CONECT   10   35   35   11   15                                       
CONECT   11   32   32   10   58                                       
CONECT   12    6    5    8    8                                       
CONECT   13    2    2   44                                            
CONECT   14   30   30   16   59                                       
CONECT   15   10   29   29   30                                       
CONECT   16   28   28   14   31                                       
CONECT   17   36   34   60   61                                       
CONECT   18   19   62   63   64                                       
CONECT   19   18   20   65                                            
CONECT   20   19   22   21   21                                       
CONECT   21   20   20                                                 
CONECT   22    3   20    4   66                                       
CONECT   23    7    4   24   24                                       
CONECT   24   23   23    8   67                                       
CONECT   25   26   26   27    5                                       
CONECT   26   25   25                                                 
CONECT   27   39   25    9   68                                       
CONECT   28   29    9   16   16                                       
CONECT   29   15   15   28   69                                       
CONECT   30   15   14   14   70                                       
CONECT   31   16                                                      
CONECT   32   33   11   11   71                                       
CONECT   33   34   34   32   72                                       
CONECT   34   17   33   33   35                                       
CONECT   35   34   10   10   73                                       
CONECT   36   17   37   74   75                                       
CONECT   37   36    3   38   38                                       
CONECT   38   37   37                                                 
CONECT   39   40   27   76                                            
CONECT   40   42   39   41   41                                       
CONECT   41   40   40                                                 
CONECT   42   43   43   44   40                                       
CONECT   43    2   42   42   77                                       
CONECT   44   13   42    1                                            
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    7                                                      
CONECT   55    8                                                      
CONECT   56    9                                                      
CONECT   57    9                                                      
CONECT   58   11                                                      
CONECT   59   14                                                      
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   22                                                      
CONECT   67   24                                                      
CONECT   68   27                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   32                                                      
CONECT   72   33                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   36                                                      
CONECT   76   39                                                      
CONECT   77   43                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
