COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.273   7.485  -6.431  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.668   7.649  -7.759  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.017   7.821  -8.069  1.00  0.00           C  
HETATM    4 CL   UNL     1      -2.504   8.024  -9.707  1.00  0.00          Cl  
HETATM    5  C   UNL     1      -2.971   7.829  -7.051  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.576   7.665  -5.723  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.229   7.495  -5.423  1.00  0.00           C  
HETATM    8  C   UNL     1       4.453  -0.114  -2.580  1.00  0.00           C  
HETATM    9  N   UNL     1       5.237  -1.230  -2.197  1.00  0.00           N  
HETATM   10  C   UNL     1       4.428   0.213  -3.926  1.00  0.00           C  
HETATM   11  C   UNL     1       3.664   1.307  -4.316  1.00  0.00           C  
HETATM   12  C   UNL     1       2.959   2.031  -3.362  1.00  0.00           C  
HETATM   13  C   UNL     1       3.054   1.618  -2.048  1.00  0.00           C  
HETATM   14  N   UNL     1       3.780   0.566  -1.624  1.00  0.00           N  
HETATM   15  N   UNL     1       0.915   1.149   1.505  1.00  0.00           N  
HETATM   16  C   UNL     1       0.325   2.493   1.447  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.053   2.725  -0.013  1.00  0.00           C  
HETATM   18  C   UNL     1       0.897   1.805  -0.783  1.00  0.00           C  
HETATM   19  C   UNL     1       0.911   0.594   0.146  1.00  0.00           C  
HETATM   20  C   UNL     1       2.303   2.376  -0.990  1.00  0.00           C  
HETATM   21  C   UNL     1       3.603   1.704  -5.752  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.021   4.124  -0.400  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.380   4.289  -1.803  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.418   5.750  -2.218  1.00  0.00           C  
HETATM   25  N   UNL     1      -0.792   5.909  -3.597  1.00  0.00           N  
HETATM   26  C   UNL     1      -0.804   7.317  -3.994  1.00  0.00           C  
HETATM   27  H   UNL     1       0.781   7.352  -6.199  1.00  0.00           H  
HETATM   28  H   UNL     1       0.087   7.641  -8.541  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.026   7.962  -7.278  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.326   7.672  -4.937  1.00  0.00           H  
HETATM   31  H   UNL     1       5.968  -1.535  -2.802  1.00  0.00           H  
HETATM   32  H   UNL     1       4.980  -1.742  -1.381  1.00  0.00           H  
HETATM   33  H   UNL     1       4.984  -0.364  -4.658  1.00  0.00           H  
HETATM   34  H   UNL     1       2.357   2.890  -3.644  1.00  0.00           H  
HETATM   35  H   UNL     1       0.383   0.547   2.132  1.00  0.00           H  
HETATM   36  H   UNL     1       1.075   3.214   1.792  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.548   2.578   2.103  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.079   2.361  -0.165  1.00  0.00           H  
HETATM   39  H   UNL     1       0.483   1.545  -1.764  1.00  0.00           H  
HETATM   40  H   UNL     1       0.001  -0.002  -0.001  1.00  0.00           H  
HETATM   41  H   UNL     1       1.775  -0.057  -0.018  1.00  0.00           H  
HETATM   42  H   UNL     1       2.849   2.340  -0.043  1.00  0.00           H  
HETATM   43  H   UNL     1       2.227   3.431  -1.265  1.00  0.00           H  
HETATM   44  H   UNL     1       4.263   1.067  -6.354  1.00  0.00           H  
HETATM   45  H   UNL     1       2.582   1.618  -6.147  1.00  0.00           H  
HETATM   46  H   UNL     1       3.909   2.750  -5.890  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.680   4.650   0.176  1.00  0.00           H  
HETATM   48  H   UNL     1       0.348   3.725  -2.395  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.366   3.833  -1.938  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.156   6.294  -1.620  1.00  0.00           H  
HETATM   51  H   UNL     1       0.557   6.228  -2.084  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.132   5.409  -4.203  1.00  0.00           H  
HETATM   53  H   UNL     1       0.202   7.721  -3.837  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.478   7.851  -3.315  1.00  0.00           H  
CONECT    1    7    7    2   27                                       
CONECT    2    1    3    3   28                                       
CONECT    3    2    2    5    4                                       
CONECT    4    3                                                      
CONECT    5    3    6    6   29                                       
CONECT    6    5    5    7   30                                       
CONECT    7    1    1    6   26                                       
CONECT    8   14    9   10   10                                       
CONECT    9    8   31   32                                            
CONECT   10    8    8   11   33                                       
CONECT   11   10   12   12   21                                       
CONECT   12   11   11   13   34                                       
CONECT   13   12   20   14   14                                       
CONECT   14    8   13   13                                            
CONECT   15   16   19   35                                            
CONECT   16   15   17   36   37                                       
CONECT   17   16   22   18   38                                       
CONECT   18   17   20   19   39                                       
CONECT   19   15   18   40   41                                       
CONECT   20   13   18   42   43                                       
CONECT   21   11   44   45   46                                       
CONECT   22   17   23   47                                            
CONECT   23   22   24   48   49                                       
CONECT   24   23   25   50   51                                       
CONECT   25   24   26   52                                            
CONECT   26    7   25   53   54                                       
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   12                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
CONECT   54   26                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
