COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.912   0.711  -0.998  1.00  0.00           C  
HETATM    2  C   UNL     1       5.681   0.185  -2.028  1.00  0.00           C  
HETATM    3  C   UNL     1       7.009  -0.123  -1.772  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.178  -3.222   0.283  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.771  -2.057  -0.236  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.965  -0.989  -0.634  1.00  0.00           C  
HETATM    7  C   UNL     1       0.418  -1.085  -0.513  1.00  0.00           C  
HETATM    8  C   UNL     1       0.997  -2.250   0.006  1.00  0.00           C  
HETATM    9  C   UNL     1       0.204  -3.304   0.398  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.231  -1.966  -0.360  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.856  -0.777  -1.044  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.516   0.477  -0.281  1.00  0.00           C  
HETATM   13  C   UNL     1       1.276   0.041  -0.932  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.842   1.714  -0.804  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.530   2.866  -0.104  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.892   2.780   1.120  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.566   1.541   1.644  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.883   0.390   0.945  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.284  -5.409   1.200  1.00  0.00           C  
HETATM   20  N   UNL     1       7.500   0.091  -0.564  1.00  0.00           N  
HETATM   21  C   UNL     1       6.738   0.595   0.397  1.00  0.00           C  
HETATM   22  N   UNL     1       5.465   0.900   0.186  1.00  0.00           N  
HETATM   23  C   UNL     1       3.466   1.066  -1.231  1.00  0.00           C  
HETATM   24  N   UNL     1       2.615  -0.051  -0.815  1.00  0.00           N  
HETATM   25  C   UNL     1       7.304   0.814   1.694  1.00  0.00           C  
HETATM   26  N   UNL     1       7.752   0.988   2.724  1.00  0.00           N  
HETATM   27  O   UNL     1      -3.934  -2.847   0.087  1.00  0.00           O  
HETATM   28  O   UNL     1      -1.954  -4.260   0.676  1.00  0.00           O  
HETATM   29 CL   UNL     1      -3.939   4.420  -0.762  1.00  0.00          Cl  
HETATM   30 CL   UNL     1      -1.771   1.432   3.183  1.00  0.00          Cl  
HETATM   31  C   UNL     1      -3.317  -0.667  -2.471  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.376  -0.953  -1.085  1.00  0.00           C  
HETATM   33  O   UNL     1       0.774   1.053  -1.383  1.00  0.00           O  
HETATM   34  H   UNL     1       5.254   0.020  -3.006  1.00  0.00           H  
HETATM   35  H   UNL     1       7.635  -0.533  -2.551  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.413  -0.091  -1.034  1.00  0.00           H  
HETATM   37  H   UNL     1       2.071  -2.321   0.099  1.00  0.00           H  
HETATM   38  H   UNL     1       0.658  -4.199   0.798  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.341   1.782  -1.760  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.648   3.679   1.667  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.629  -0.577   1.354  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.613  -5.814   0.443  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.708  -5.123   2.080  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.020  -6.164   1.476  1.00  0.00           H  
HETATM   45  H   UNL     1       3.212   1.952  -0.650  1.00  0.00           H  
HETATM   46  H   UNL     1       3.308   1.269  -2.290  1.00  0.00           H  
HETATM   47  H   UNL     1       3.016  -0.858  -0.455  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.667  -1.516  -3.058  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.672   0.259  -2.924  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.227  -0.666  -2.449  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.769  -0.950  -0.068  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.821  -0.133  -1.649  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.619  -1.900  -1.566  1.00  0.00           H  
CONECT    1   23   22   22    2                                       
CONECT    2    1    3    3   34                                       
CONECT    3    2    2   20   35                                       
CONECT    4   28    5    5    9                                       
CONECT    5   10    4    4    6                                       
CONECT    6    5    7    7   36                                       
CONECT    7    6    6    8   13                                       
CONECT    8    9    9    7   37                                       
CONECT    9    4    8    8   38                                       
CONECT   10   27   27   11    5                                       
CONECT   11   32   12   10   31                                       
CONECT   12   18   11   14   14                                       
CONECT   13    7   33   33   24                                       
CONECT   14   12   12   15   39                                       
CONECT   15   16   16   14   29                                       
CONECT   16   17   15   15   40                                       
CONECT   17   30   18   18   16                                       
CONECT   18   17   17   12   41                                       
CONECT   19   28   42   43   44                                       
CONECT   20   21   21    3                                            
CONECT   21   22   25   20   20                                       
CONECT   22    1    1   21                                            
CONECT   23   24    1   45   46                                       
CONECT   24   13   23   47                                            
CONECT   25   21   26   26   26                                       
CONECT   26   25   25   25                                            
CONECT   27   10   10                                                 
CONECT   28   19    4                                                 
CONECT   29   15                                                      
CONECT   30   17                                                      
CONECT   31   11   48   49   50                                       
CONECT   32   11   51   52   53                                       
CONECT   33   13   13                                                 
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    6                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   14                                                      
CONECT   40   16                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   31                                                      
CONECT   49   31                                                      
CONECT   50   31                                                      
CONECT   51   32                                                      
CONECT   52   32                                                      
CONECT   53   32                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
