COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.004   5.117  -0.830  1.00  0.00           C  
HETATM    2  C   UNL     1       2.358   4.045   0.009  1.00  0.00           C  
HETATM    3  C   UNL     1       5.439   0.085  -0.475  1.00  0.00           C  
HETATM    4  C   UNL     1       5.436  -1.203   0.025  1.00  0.00           C  
HETATM    5  C   UNL     1       4.413  -1.618   0.857  1.00  0.00           C  
HETATM    6  C   UNL     1       3.394  -0.745   1.186  1.00  0.00           C  
HETATM    7  C   UNL     1       3.396   0.545   0.685  1.00  0.00           C  
HETATM    8  C   UNL     1       2.429   1.686   0.876  1.00  0.00           C  
HETATM    9  C   UNL     1       1.065   1.289   0.374  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.040   0.235   0.714  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.612  -0.334  -0.132  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.586  -0.247  -1.055  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.302   0.042  -0.637  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.012  -0.651  -0.592  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.926   0.542  -0.302  1.00  0.00           C  
HETATM   16  C   UNL     1       7.987  -2.059   0.893  1.00  0.00           C  
HETATM   17  O   UNL     1       1.322   4.276   0.597  1.00  0.00           O  
HETATM   18  N   UNL     1       2.930   2.829   0.106  1.00  0.00           N  
HETATM   19  C   UNL     1       4.173   2.394  -0.540  1.00  0.00           C  
HETATM   20  C   UNL     1       4.418   0.960  -0.146  1.00  0.00           C  
HETATM   21  O   UNL     1       0.692   1.655  -0.721  1.00  0.00           O  
HETATM   22  N   UNL     1       0.259   0.528   1.141  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.072   0.141   1.638  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.355  -0.143   1.213  1.00  0.00           C  
HETATM   25  O   UNL     1      -5.004  -0.914  -1.997  1.00  0.00           O  
HETATM   26  F   UNL     1      -7.197   0.294  -0.831  1.00  0.00           F  
HETATM   27  F   UNL     1      -6.025   0.727   1.081  1.00  0.00           F  
HETATM   28  F   UNL     1      -5.392   1.693  -0.890  1.00  0.00           F  
HETATM   29  C   UNL     1      -5.528  -1.883   0.154  1.00  0.00           C  
HETATM   30  F   UNL     1      -6.828  -2.176  -0.273  1.00  0.00           F  
HETATM   31  F   UNL     1      -4.693  -2.973  -0.112  1.00  0.00           F  
HETATM   32  F   UNL     1      -5.536  -1.625   1.529  1.00  0.00           F  
HETATM   33  S   UNL     1       6.736  -2.315  -0.396  1.00  0.00           S  
HETATM   34  O   UNL     1       6.149  -3.603  -0.273  1.00  0.00           O  
HETATM   35  O   UNL     1       7.209  -1.842  -1.650  1.00  0.00           O  
HETATM   36  H   UNL     1       3.695   5.693  -0.214  1.00  0.00           H  
HETATM   37  H   UNL     1       3.549   4.656  -1.653  1.00  0.00           H  
HETATM   38  H   UNL     1       2.235   5.779  -1.229  1.00  0.00           H  
HETATM   39  H   UNL     1       6.241   0.411  -1.121  1.00  0.00           H  
HETATM   40  H   UNL     1       4.411  -2.625   1.248  1.00  0.00           H  
HETATM   41  H   UNL     1       2.595  -1.070   1.836  1.00  0.00           H  
HETATM   42  H   UNL     1       2.373   1.949   1.933  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.789  -0.406  -2.104  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.503   0.119  -1.359  1.00  0.00           H  
HETATM   45  H   UNL     1       8.838  -2.715   0.709  1.00  0.00           H  
HETATM   46  H   UNL     1       8.318  -1.021   0.877  1.00  0.00           H  
HETATM   47  H   UNL     1       7.556  -2.288   1.867  1.00  0.00           H  
HETATM   48  H   UNL     1       4.071   2.467  -1.623  1.00  0.00           H  
HETATM   49  H   UNL     1       5.001   3.018  -0.205  1.00  0.00           H  
HETATM   50  H   UNL     1       0.581   0.184   1.989  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.872   0.290   2.689  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.159  -0.212   1.931  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.444  -1.658  -2.254  1.00  0.00           H  
CONECT    1    2   36   37   38                                       
CONECT    2   18   17   17    1                                       
CONECT    3    4   20   20   39                                       
CONECT    4   33    5    5    3                                       
CONECT    5    4    4    6   40                                       
CONECT    6    5    7    7   41                                       
CONECT    7    6    6   20    8                                       
CONECT    8    7    9   18   42                                       
CONECT    9   22    8   21   21                                       
CONECT   10   23   23   13   22                                       
CONECT   11   14   24   24   12                                       
CONECT   12   11   13   13   43                                       
CONECT   13   12   12   10   44                                       
CONECT   14   29   15   11   25                                       
CONECT   15   27   14   26   28                                       
CONECT   16   33   45   46   47                                       
CONECT   17    2    2                                                 
CONECT   18    8   19    2                                            
CONECT   19   20   18   48   49                                       
CONECT   20    3    3    7   19                                       
CONECT   21    9    9                                                 
CONECT   22   10    9   50                                            
CONECT   23   24   10   10   51                                       
CONECT   24   11   11   23   52                                       
CONECT   25   14   53                                                 
CONECT   26   15                                                      
CONECT   27   15                                                      
CONECT   28   15                                                      
CONECT   29   31   30   32   14                                       
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   29                                                      
CONECT   33   35   35   16   34                                       
CONECT   33   34    4                                                 
CONECT   34   33   33                                                 
CONECT   35   33   33                                                 
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    3                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    8                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
