COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.101   2.201  -0.169  1.00  0.00           C  
HETATM    2  C   UNL     1       0.701   3.472  -0.266  1.00  0.00           C  
HETATM    3  C   UNL     1       1.985   3.674   0.193  1.00  0.00           C  
HETATM    4  O   UNL     1       0.010   4.504  -0.815  1.00  0.00           O  
HETATM    5  C   UNL     1       2.103   1.343   0.856  1.00  0.00           C  
HETATM    6  C   UNL     1       2.698   2.618   0.756  1.00  0.00           C  
HETATM    7  C   UNL     1       3.098   0.476   1.483  1.00  0.00           C  
HETATM    8  C   UNL     1       2.928  -0.987   1.801  1.00  0.00           C  
HETATM    9  C   UNL     1       3.382  -1.813   0.626  1.00  0.00           C  
HETATM   10  C   UNL     1       2.484  -2.156  -0.367  1.00  0.00           C  
HETATM   11  C   UNL     1       2.903  -2.910  -1.448  1.00  0.00           C  
HETATM   12  C   UNL     1       4.700  -2.224   0.538  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.515  -0.023  -1.788  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.897   0.813  -2.036  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.484   0.604  -0.112  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.264  -0.154   0.742  1.00  0.00           C  
HETATM   17  C   UNL     1       6.553  -3.428  -0.636  1.00  0.00           C  
HETATM   18  C   UNL     1       0.803   1.141   0.392  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.275   1.997  -0.657  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.554   0.959  -1.470  1.00  0.00           N  
HETATM   21  O   UNL     1      -2.158   2.765  -0.326  1.00  0.00           O  
HETATM   22  N   UNL     1       3.955   2.508   1.287  1.00  0.00           N  
HETATM   23  N   UNL     1       4.159   1.193   1.716  1.00  0.00           N  
HETATM   24  C   UNL     1       4.220  -3.320  -1.536  1.00  0.00           C  
HETATM   25  C   UNL     1       5.117  -2.981  -0.540  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.747  -0.013  -1.106  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.302  -1.530   0.605  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.561  -2.147  -0.387  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.790  -1.388  -1.247  1.00  0.00           C  
HETATM   30 CL   UNL     1      -6.281  -2.482   1.677  1.00  0.00          Cl  
HETATM   31  H   UNL     1       2.438   4.651   0.115  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.508   5.014  -0.177  1.00  0.00           H  
HETATM   33  H   UNL     1       3.525  -1.241   2.677  1.00  0.00           H  
HETATM   34  H   UNL     1       1.877  -1.194   2.006  1.00  0.00           H  
HETATM   35  H   UNL     1       1.455  -1.836  -0.298  1.00  0.00           H  
HETATM   36  H   UNL     1       2.201  -3.178  -2.224  1.00  0.00           H  
HETATM   37  H   UNL     1       5.403  -1.952   1.311  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.477  -0.779  -1.004  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.744  -0.499  -2.742  1.00  0.00           H  
HETATM   40  H   UNL     1       0.451   0.479  -1.856  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.348   1.798  -2.162  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.832   0.317  -3.005  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.454   1.678  -0.006  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.843   0.329   1.515  1.00  0.00           H  
HETATM   45  H   UNL     1       7.134  -2.674  -1.165  1.00  0.00           H  
HETATM   46  H   UNL     1       6.959  -3.563   0.366  1.00  0.00           H  
HETATM   47  H   UNL     1       6.604  -4.372  -1.179  1.00  0.00           H  
HETATM   48  H   UNL     1       0.345   0.166   0.468  1.00  0.00           H  
HETATM   49  H   UNL     1       4.602   3.228   1.355  1.00  0.00           H  
HETATM   50  H   UNL     1       4.547  -3.909  -2.380  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.590  -3.221  -0.494  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.211  -1.869  -2.021  1.00  0.00           H  
CONECT    1   19   18   18    2                                       
CONECT    2    1    4    3    3                                       
CONECT    3    2    2    6   31                                       
CONECT    4    2   32                                                 
CONECT    5   18    6    6    7                                       
CONECT    6    5    5    3   22                                       
CONECT    7    5    8   23   23                                       
CONECT    8    9    7   33   34                                       
CONECT    9   10   10   12    8                                       
CONECT   10   11    9    9   35                                       
CONECT   11   24   24   10   36                                       
CONECT   12   25   25    9   37                                       
CONECT   13   20   38   39   40                                       
CONECT   14   20   26   41   42                                       
CONECT   15   26   26   16   43                                       
CONECT   16   27   27   15   44                                       
CONECT   17   25   45   46   47                                       
CONECT   18    1    1    5   48                                       
CONECT   19   21   21   20    1                                       
CONECT   20   13   19   14                                            
CONECT   21   19   19                                                 
CONECT   22    6   23   49                                            
CONECT   23    7    7   22                                            
CONECT   24   11   11   25   50                                       
CONECT   25   24   17   12   12                                       
CONECT   26   29   14   15   15                                       
CONECT   27   28   30   16   16                                       
CONECT   28   29   29   27   51                                       
CONECT   29   28   28   26   52                                       
CONECT   30   27                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   22                                                      
CONECT   50   24                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
