COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.894   1.969  -0.266  1.00  0.00           C  
HETATM    2  C   UNL     1       4.610   2.349  -0.632  1.00  0.00           C  
HETATM    3  C   UNL     1       3.559   1.466  -0.490  1.00  0.00           C  
HETATM    4  C   UNL     1       2.670  -0.762   0.176  1.00  0.00           C  
HETATM    5  C   UNL     1       0.400  -1.262  -0.038  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.889  -1.833  -0.358  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.611  -3.187  -0.472  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.641  -4.110  -0.437  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.951  -3.686  -0.290  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.384   0.403  -1.171  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.558   1.922  -1.099  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.152   2.298   0.262  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.270   3.797   0.362  1.00  0.00           C  
HETATM   14  O   UNL     1      -4.917   4.494  -0.560  1.00  0.00           O  
HETATM   15  O   UNL     1      -5.768   4.358   1.475  1.00  0.00           O  
HETATM   16  C   UNL     1      -4.231   1.782   1.372  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.066   0.268   1.228  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.495  -0.041  -0.089  1.00  0.00           N  
HETATM   19  C   UNL     1      -3.208  -1.407  -0.204  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.235  -2.338  -0.176  1.00  0.00           C  
HETATM   21  F   UNL     1      -2.368  -5.429  -0.548  1.00  0.00           F  
HETATM   22  N   UNL     1      -0.847  -0.896  -0.392  1.00  0.00           N  
HETATM   23  O   UNL     1       0.603  -2.375   0.409  1.00  0.00           O  
HETATM   24  N   UNL     1       1.423  -0.395  -0.178  1.00  0.00           N  
HETATM   25  O   UNL     1       2.873  -1.874   0.623  1.00  0.00           O  
HETATM   26  C   UNL     1       3.790   0.188   0.023  1.00  0.00           C  
HETATM   27  F   UNL     1       4.389   3.587  -1.128  1.00  0.00           F  
HETATM   28  F   UNL     1       6.919   2.837  -0.407  1.00  0.00           F  
HETATM   29  C   UNL     1       6.128   0.703   0.248  1.00  0.00           C  
HETATM   30  C   UNL     1       5.085  -0.190   0.389  1.00  0.00           C  
HETATM   31 CL   UNL     1       5.381  -1.777   1.028  1.00  0.00          Cl  
HETATM   32  H   UNL     1       2.560   1.763  -0.775  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.590  -3.520  -0.587  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.752  -4.410  -0.264  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.355  -0.080  -1.064  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.948   0.133  -2.133  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.589   2.405  -1.220  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.231   2.249  -1.892  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.138   1.846   0.367  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.825   5.324   1.492  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.257   2.264   1.289  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.670   2.010   2.343  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.400  -0.101   2.008  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.039  -0.214   1.324  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.258  -2.010  -0.062  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.024   0.016  -0.671  1.00  0.00           H  
HETATM   47  H   UNL     1       1.260   0.492  -0.535  1.00  0.00           H  
HETATM   48  H   UNL     1       7.128   0.412   0.530  1.00  0.00           H  
CONECT    1    2    2   29   28                                       
CONECT    2    1    1    3   27                                       
CONECT    3    2   26   26   32                                       
CONECT    4   25   25   24   26                                       
CONECT    5   22   23   23   24                                       
CONECT    6   19   19    7   22                                       
CONECT    7    6    8    8   33                                       
CONECT    8    7    7    9   21                                       
CONECT    9    8   20   20   34                                       
CONECT   10   11   18   35   36                                       
CONECT   11   10   12   37   38                                       
CONECT   12   11   13   16   39                                       
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   40                                                 
CONECT   16   12   17   41   42                                       
CONECT   17   16   18   43   44                                       
CONECT   18   10   17   19                                            
CONECT   19    6    6   18   20                                       
CONECT   20    9    9   19   45                                       
CONECT   21    8                                                      
CONECT   22    5    6   46                                            
CONECT   23    5    5                                                 
CONECT   24    4    5   47                                            
CONECT   25    4    4                                                 
CONECT   26    3    3    4   30                                       
CONECT   27    2                                                      
CONECT   28    1                                                      
CONECT   29    1   30   30   48                                       
CONECT   30   26   29   29   31                                       
CONECT   31   30                                                      
CONECT   32    3                                                      
CONECT   33    7                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   20                                                      
CONECT   46   22                                                      
CONECT   47   24                                                      
CONECT   48   29                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
