COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.596   7.301  -1.953  1.00  0.00           C  
HETATM    2  O   UNL     1       0.072   5.979  -2.096  1.00  0.00           O  
HETATM    3  C   UNL     1      -0.017   5.226  -0.968  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.517   3.934  -1.035  1.00  0.00           C  
HETATM    5 CL   UNL     1      -1.028   3.279  -2.559  1.00  0.00          Cl  
HETATM    6  C   UNL     1       0.396   5.748   0.249  1.00  0.00           C  
HETATM    7  C   UNL     1       0.306   4.980   1.400  1.00  0.00           C  
HETATM    8  O   UNL     1       0.712   5.492   2.592  1.00  0.00           O  
HETATM    9  C   UNL     1       1.220   6.828   2.585  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.198   3.689   1.336  1.00  0.00           C  
HETATM   11 CL   UNL     1      -0.311   2.728   2.777  1.00  0.00          Cl  
HETATM   12  C   UNL     1      -0.608   3.164   0.117  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.112   1.860   0.051  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.287   0.820  -0.167  1.00  0.00           C  
HETATM   15  O   UNL     1       0.901   1.043  -0.304  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.554   1.605   0.224  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.003   0.168   0.136  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.319  -0.199   0.280  1.00  0.00           C  
HETATM   19  N   UNL     1      -4.634  -1.486   0.189  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.701  -2.399  -0.036  1.00  0.00           C  
HETATM   21  N   UNL     1      -4.073  -3.731  -0.124  1.00  0.00           N  
HETATM   22  C   UNL     1      -5.401  -4.102   0.106  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.437  -3.269  -0.296  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.747  -3.639  -0.067  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.029  -4.837   0.563  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.000  -5.669   0.966  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.687  -5.308   0.734  1.00  0.00           C  
HETATM   28  N   UNL     1      -2.422  -2.079  -0.180  1.00  0.00           N  
HETATM   29  C   UNL     1      -2.037  -0.812  -0.100  1.00  0.00           C  
HETATM   30  N   UNL     1      -0.708  -0.449  -0.241  1.00  0.00           N  
HETATM   31  C   UNL     1       0.281  -1.502  -0.482  1.00  0.00           C  
HETATM   32  C   UNL     1       1.315  -1.499   0.646  1.00  0.00           C  
HETATM   33  C   UNL     1       2.328  -2.623   0.409  1.00  0.00           C  
HETATM   34  C   UNL     1       0.982  -1.247  -1.819  1.00  0.00           C  
HETATM   35  C   UNL     1       1.992  -2.368  -2.084  1.00  0.00           C  
HETATM   36  N   UNL     1       2.902  -2.467  -0.934  1.00  0.00           N  
HETATM   37  C   UNL     1       4.237  -2.415  -1.109  1.00  0.00           C  
HETATM   38  O   UNL     1       4.698  -2.182  -2.210  1.00  0.00           O  
HETATM   39  C   UNL     1       5.137  -2.639   0.032  1.00  0.00           C  
HETATM   40  C   UNL     1       6.453  -2.685  -0.158  1.00  0.00           C  
HETATM   41  H   UNL     1       1.610   7.249  -1.554  1.00  0.00           H  
HETATM   42  H   UNL     1       0.614   7.792  -2.926  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.034   7.870  -1.270  1.00  0.00           H  
HETATM   44  H   UNL     1       0.789   6.752   0.300  1.00  0.00           H  
HETATM   45  H   UNL     1       2.091   6.881   1.931  1.00  0.00           H  
HETATM   46  H   UNL     1       0.450   7.508   2.221  1.00  0.00           H  
HETATM   47  H   UNL     1       1.507   7.113   3.597  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.849   1.992   1.199  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.090   2.173  -0.536  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.081   0.543   0.463  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.412  -4.405  -0.346  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.217  -2.333  -0.788  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.553  -2.992  -0.380  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.054  -5.124   0.742  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.223  -6.604   1.458  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.884  -5.960   1.044  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.219  -2.470  -0.514  1.00  0.00           H  
HETATM   58  H   UNL     1       1.832  -0.540   0.663  1.00  0.00           H  
HETATM   59  H   UNL     1       0.812  -1.658   1.600  1.00  0.00           H  
HETATM   60  H   UNL     1       3.121  -2.563   1.154  1.00  0.00           H  
HETATM   61  H   UNL     1       1.827  -3.588   0.485  1.00  0.00           H  
HETATM   62  H   UNL     1       0.243  -1.226  -2.619  1.00  0.00           H  
HETATM   63  H   UNL     1       1.503  -0.290  -1.779  1.00  0.00           H  
HETATM   64  H   UNL     1       1.463  -3.312  -2.214  1.00  0.00           H  
HETATM   65  H   UNL     1       2.563  -2.140  -2.984  1.00  0.00           H  
HETATM   66  H   UNL     1       4.730  -2.766   1.025  1.00  0.00           H  
HETATM   67  H   UNL     1       6.860  -2.559  -1.150  1.00  0.00           H  
HETATM   68  C   UNL     1       7.375  -2.915   1.012  1.00  0.00           C  
HETATM   69  N   UNL     1       8.238  -4.072   0.735  1.00  0.00           N  
HETATM   70  C   UNL     1       9.151  -3.793  -0.381  1.00  0.00           C  
HETATM   71  C   UNL     1       8.982  -4.473   1.937  1.00  0.00           C  
HETATM   72  H   UNL     1       7.993  -2.030   1.167  1.00  0.00           H  
HETATM   73  H   UNL     1       6.785  -3.108   1.908  1.00  0.00           H  
HETATM   74  H   UNL     1       9.781  -2.939  -0.130  1.00  0.00           H  
HETATM   75  H   UNL     1       9.778  -4.666  -0.564  1.00  0.00           H  
HETATM   76  H   UNL     1       8.572  -3.567  -1.276  1.00  0.00           H  
HETATM   77  H   UNL     1       8.280  -4.741   2.726  1.00  0.00           H  
HETATM   78  H   UNL     1       9.612  -5.331   1.704  1.00  0.00           H  
HETATM   79  H   UNL     1       9.605  -3.644   2.271  1.00  0.00           H  
CONECT    1    2   41   42   43                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4    6                                       
CONECT    4    5    3    3   12                                       
CONECT    5    4                                                      
CONECT    6    3    7    7   44                                       
CONECT    7    6    6   10    8                                       
CONECT    8    7    9                                                 
CONECT    9    8   45   46   47                                       
CONECT   10   12   12    7   11                                       
CONECT   11   10                                                      
CONECT   12    4   13   10   10                                       
CONECT   13   12   14   16                                            
CONECT   14   13   15   15   30                                       
CONECT   15   14   14                                                 
CONECT   16   13   17   48   49                                       
CONECT   17   16   29   29   18                                       
CONECT   18   17   19   19   50                                       
CONECT   19   18   18   20                                            
CONECT   20   28   28   19   21                                       
CONECT   21   20   22   51                                            
CONECT   22   23   21   27   27                                       
CONECT   23   24   24   22   52                                       
CONECT   24   23   23   25   53                                       
CONECT   25   24   26   26   54                                       
CONECT   26   25   25   27   55                                       
CONECT   27   22   22   26   56                                       
CONECT   28   29   20   20                                            
CONECT   29   30   17   17   28                                       
CONECT   30   14   31   29                                            
CONECT   31   34   30   32   57                                       
CONECT   32   31   33   58   59                                       
CONECT   33   36   32   60   61                                       
CONECT   34   35   31   62   63                                       
CONECT   35   34   36   64   65                                       
CONECT   36   35   37   33                                            
CONECT   37   39   36   38   38                                       
CONECT   38   37   37                                                 
CONECT   39   40   40   37   66                                       
CONECT   40   39   39   67   68                                       
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    6                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   18                                                      
CONECT   51   21                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   26                                                      
CONECT   56   27                                                      
CONECT   57   31                                                      
CONECT   58   32                                                      
CONECT   59   32                                                      
CONECT   60   33                                                      
CONECT   61   33                                                      
CONECT   62   34                                                      
CONECT   63   34                                                      
CONECT   64   35                                                      
CONECT   65   35                                                      
CONECT   66   39                                                      
CONECT   67   40                                                      
CONECT   68   40   69   72   73                                       
CONECT   69   68   70   71                                            
CONECT   70   69   74   75   76                                       
CONECT   71   69   77   78   79                                       
CONECT   72   68                                                      
CONECT   73   68                                                      
CONECT   74   70                                                      
CONECT   75   70                                                      
CONECT   76   70                                                      
CONECT   77   71                                                      
CONECT   78   71                                                      
CONECT   79   71                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
