COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.778   0.128   4.475  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.066   0.164   1.709  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.650   0.088   3.672  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.036   0.185   3.901  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.177   0.203   2.520  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.789   0.111   2.276  1.00  0.00           C  
HETATM    7 BR   UNL     1      -0.285   0.144  -6.699  1.00  0.00          Br  
HETATM    8  F   UNL     1      -4.133   0.224   4.689  1.00  0.00           F  
HETATM    9  C   UNL     1       0.403   0.070   1.413  1.00  0.00           C  
HETATM   10  C   UNL     1       1.451   0.041  -0.785  1.00  0.00           C  
HETATM   11  F   UNL     1      -0.188  -1.944  -1.926  1.00  0.00           F  
HETATM   12  O   UNL     1       0.583   0.033   4.233  1.00  0.00           O  
HETATM   13  S   UNL     1       1.964   0.005   2.112  1.00  0.00           S  
HETATM   14  N   UNL     1       0.265   0.083   0.072  1.00  0.00           N  
HETATM   15  C   UNL     1       0.393   0.029   5.649  1.00  0.00           C  
HETATM   16  C   UNL     1       1.026   0.066  -2.231  1.00  0.00           C  
HETATM   17  C   UNL     1       0.246   0.111  -4.885  1.00  0.00           C  
HETATM   18  C   UNL     1       1.445   1.091  -3.057  1.00  0.00           C  
HETATM   19  C   UNL     1       0.220  -0.941  -2.733  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.173  -0.915  -4.060  1.00  0.00           C  
HETATM   21  C   UNL     1       1.055   1.115  -4.383  1.00  0.00           C  
HETATM   22  C   UNL     1       1.734  -0.031   6.335  1.00  0.00           C  
HETATM   23  O   UNL     1       1.801  -0.045   7.676  1.00  0.00           O  
HETATM   24  O   UNL     1       2.748  -0.067   5.679  1.00  0.00           O  
HETATM   25  H   UNL     1      -1.675   0.115   5.550  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.180   0.178   0.635  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.163   0.248   2.081  1.00  0.00           H  
HETATM   28  H   UNL     1       2.081   0.906  -0.577  1.00  0.00           H  
HETATM   29  H   UNL     1       2.011  -0.872  -0.587  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.619   0.119  -0.323  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.199  -0.839   5.934  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.126   0.939   5.948  1.00  0.00           H  
HETATM   33  H   UNL     1       2.077   1.875  -2.667  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.805  -1.699  -4.452  1.00  0.00           H  
HETATM   35  H   UNL     1       1.383   1.917  -5.028  1.00  0.00           H  
HETATM   36  H   UNL     1       2.661  -0.084   8.116  1.00  0.00           H  
CONECT    1    3    3    4   25                                       
CONECT    2    5    6    6   26                                       
CONECT    3    1    1    6   12                                       
CONECT    4    1    5    5    8                                       
CONECT    5    2    4    4   27                                       
CONECT    6    2    2    3    9                                       
CONECT    7   17                                                      
CONECT    8    4                                                      
CONECT    9    6   13   13   14                                       
CONECT   10   14   16   28   29                                       
CONECT   11   19                                                      
CONECT   12    3   15                                                 
CONECT   13    9    9                                                 
CONECT   14    9   10   30                                            
CONECT   15   12   22   31   32                                       
CONECT   16   10   18   18   19                                       
CONECT   17    7   20   21   21                                       
CONECT   18   16   16   21   33                                       
CONECT   19   11   16   20   20                                       
CONECT   20   17   19   19   34                                       
CONECT   21   17   17   18   35                                       
CONECT   22   15   23   24   24                                       
CONECT   23   22   36                                                 
CONECT   24   22   22                                                 
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    5                                                      
CONECT   28   10                                                      
CONECT   29   10                                                      
CONECT   30   14                                                      
CONECT   31   15                                                      
CONECT   32   15                                                      
CONECT   33   18                                                      
CONECT   34   20                                                      
CONECT   35   21                                                      
CONECT   36   23                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
