COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.647  -0.221   1.733  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.052  -0.032   1.596  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.804   0.064   0.996  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.702   0.444  -0.336  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.842   0.726  -1.062  1.00  0.00           C  
HETATM    6  C   UNL     1       0.495   0.449   1.483  1.00  0.00           C  
HETATM    7  C   UNL     1       2.907   0.973   1.730  1.00  0.00           C  
HETATM    8  C   UNL     1       2.115  -1.392   1.859  1.00  0.00           C  
HETATM    9  C   UNL     1       2.037  -5.182  -1.303  1.00  0.00           C  
HETATM   10  C   UNL     1       3.905   2.775  -1.158  1.00  0.00           C  
HETATM   11  C   UNL     1       6.471   2.458  -0.179  1.00  0.00           C  
HETATM   12  C   UNL     1       5.459   1.619   0.250  1.00  0.00           C  
HETATM   13  F   UNL     1      -6.484   1.664   0.594  1.00  0.00           F  
HETATM   14  C   UNL     1      -6.462   0.787  -0.496  1.00  0.00           C  
HETATM   15  F   UNL     1      -6.621  -0.526  -0.042  1.00  0.00           F  
HETATM   16  F   UNL     1      -7.503   1.106  -1.374  1.00  0.00           F  
HETATM   17  O   UNL     1      -5.211   0.907  -1.178  1.00  0.00           O  
HETATM   18  C   UNL     1      -4.089   0.629  -0.462  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.191   0.250   0.868  1.00  0.00           C  
HETATM   20  O   UNL     1       0.498   1.364   0.686  1.00  0.00           O  
HETATM   21  C   UNL     1       1.767   0.062   2.191  1.00  0.00           C  
HETATM   22  C   UNL     1       3.077   0.852   0.214  1.00  0.00           C  
HETATM   23  C   UNL     1       3.440  -0.594  -0.141  1.00  0.00           C  
HETATM   24  N   UNL     1       2.422  -1.490   0.426  1.00  0.00           N  
HETATM   25  S   UNL     1       1.637  -2.588  -0.533  1.00  0.00           S  
HETATM   26  O   UNL     1       0.395  -2.800   0.123  1.00  0.00           O  
HETATM   27  O   UNL     1       1.691  -2.019  -1.834  1.00  0.00           O  
HETATM   28  C   UNL     1       2.665  -4.080  -0.447  1.00  0.00           C  
HETATM   29  C   UNL     1       4.177   1.774  -0.244  1.00  0.00           C  
HETATM   30  C   UNL     1       4.915   3.618  -1.582  1.00  0.00           C  
HETATM   31  C   UNL     1       6.198   3.459  -1.093  1.00  0.00           C  
HETATM   32  H   UNL     1      -0.670  -0.899   2.427  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.132  -0.332   2.630  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.731   0.520  -0.803  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.763   1.022  -2.098  1.00  0.00           H  
HETATM   36  H   UNL     1       2.672   2.006   1.987  1.00  0.00           H  
HETATM   37  H   UNL     1       3.832   0.677   2.224  1.00  0.00           H  
HETATM   38  H   UNL     1       2.983  -1.702   2.441  1.00  0.00           H  
HETATM   39  H   UNL     1       1.267  -2.035   2.098  1.00  0.00           H  
HETATM   40  H   UNL     1       1.972  -4.845  -2.338  1.00  0.00           H  
HETATM   41  H   UNL     1       2.655  -6.078  -1.252  1.00  0.00           H  
HETATM   42  H   UNL     1       1.038  -5.407  -0.930  1.00  0.00           H  
HETATM   43  H   UNL     1       2.903   2.896  -1.543  1.00  0.00           H  
HETATM   44  H   UNL     1       7.472   2.338   0.207  1.00  0.00           H  
HETATM   45  H   UNL     1       5.670   0.843   0.970  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.163   0.171   1.334  1.00  0.00           H  
HETATM   47  H   UNL     1       1.630   0.167   3.268  1.00  0.00           H  
HETATM   48  H   UNL     1       2.145   1.124  -0.280  1.00  0.00           H  
HETATM   49  H   UNL     1       3.466  -0.709  -1.224  1.00  0.00           H  
HETATM   50  H   UNL     1       4.416  -0.839   0.278  1.00  0.00           H  
HETATM   51  H   UNL     1       2.731  -4.417   0.587  1.00  0.00           H  
HETATM   52  H   UNL     1       3.664  -3.855  -0.821  1.00  0.00           H  
HETATM   53  H   UNL     1       4.702   4.399  -2.296  1.00  0.00           H  
HETATM   54  H   UNL     1       6.988   4.117  -1.424  1.00  0.00           H  
CONECT    1    6    3   32                                            
CONECT    2    3   19   19   33                                       
CONECT    3    1    4    4    2                                       
CONECT    4    3    3    5   34                                       
CONECT    5    4   18   18   35                                       
CONECT    6   21    1   20   20                                       
CONECT    7   22   21   36   37                                       
CONECT    8   24   21   38   39                                       
CONECT    9   28   40   41   42                                       
CONECT   10   30   30   29   43                                       
CONECT   11   31   31   12   44                                       
CONECT   12   29   29   11   45                                       
CONECT   13   14                                                      
CONECT   14   15   13   17   16                                       
CONECT   15   14                                                      
CONECT   16   14                                                      
CONECT   17   18   14                                                 
CONECT   18    5    5   19   17                                       
CONECT   19    2    2   18   46                                       
CONECT   20    6    6                                                 
CONECT   21    8    7    6   47                                       
CONECT   22   23   29    7   48                                       
CONECT   23   24   22   49   50                                       
CONECT   24   25   23    8                                            
CONECT   25   28   27   27   26                                       
CONECT   25   26   24                                                 
CONECT   26   25   25                                                 
CONECT   27   25   25                                                 
CONECT   28    9   25   51   52                                       
CONECT   29   10   22   12   12                                       
CONECT   30   10   10   31   53                                       
CONECT   31   30   11   11   54                                       
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   19                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   23                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
