COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1       3.045  -5.281   0.844  1.00  0.00          Cl  
HETATM    2  C   UNL     1       3.419  -3.769   0.078  1.00  0.00           C  
HETATM    3  C   UNL     1       4.054  -3.635  -1.092  1.00  0.00           C  
HETATM    4  C   UNL     1       4.243  -2.334  -1.508  1.00  0.00           C  
HETATM    5  S   UNL     1       3.013  -2.182   0.720  1.00  0.00           S  
HETATM    6  C   UNL     1       3.756  -1.396  -0.667  1.00  0.00           C  
HETATM    7  C   UNL     1       3.830   0.057  -0.881  1.00  0.00           C  
HETATM    8  C   UNL     1       3.314   0.889   0.020  1.00  0.00           C  
HETATM    9  S   UNL     1       3.403   2.630  -0.236  1.00  0.00           S  
HETATM   10  O   UNL     1       3.888   3.189   0.976  1.00  0.00           O  
HETATM   11  O   UNL     1       4.043   2.819  -1.490  1.00  0.00           O  
HETATM   12  N   UNL     1       1.851   3.179  -0.416  1.00  0.00           N  
HETATM   13  C   UNL     1       0.909   3.092   0.702  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.046   4.309   0.701  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.254   3.760  -0.089  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.008   1.901   0.532  1.00  0.00           C  
HETATM   17  O   UNL     1       0.300   0.750   0.758  1.00  0.00           O  
HETATM   18  N   UNL     1      -1.213   2.304   0.094  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.290   1.445  -0.157  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.196   1.150   0.856  1.00  0.00           C  
HETATM   21  F   UNL     1      -3.039   1.691   2.084  1.00  0.00           F  
HETATM   22  C   UNL     1      -2.460   0.891  -1.418  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.524   0.044  -1.662  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.420  -0.252  -0.653  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.259   0.301   0.604  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.579  -1.176  -0.924  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.869  -0.360  -1.026  1.00  0.00           C  
HETATM   28  N   UNL     1      -5.699  -2.147   0.172  1.00  0.00           N  
HETATM   29  C   UNL     1      -6.873  -3.009  -0.014  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.474  -2.947   0.303  1.00  0.00           C  
HETATM   31  H   UNL     1       4.394  -4.483  -1.668  1.00  0.00           H  
HETATM   32  H   UNL     1       4.741  -2.085  -2.434  1.00  0.00           H  
HETATM   33  H   UNL     1       4.304   0.449  -1.769  1.00  0.00           H  
HETATM   34  H   UNL     1       2.840   0.497   0.907  1.00  0.00           H  
HETATM   35  H   UNL     1       1.566   3.557  -1.262  1.00  0.00           H  
HETATM   36  H   UNL     1       1.446   3.030   1.649  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.334   4.579   1.717  1.00  0.00           H  
HETATM   38  H   UNL     1       0.404   5.157   0.186  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.183   4.164   0.314  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.160   4.010  -1.145  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.760   1.123  -2.208  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.963   0.071   1.390  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.655  -0.387  -2.644  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.410  -1.706  -1.862  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.039   0.170  -0.088  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.780   0.360  -1.839  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.708  -1.028  -1.222  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.834  -3.468  -1.002  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.876  -3.789   0.748  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.780  -2.412   0.074  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.630  -2.288   0.510  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.589  -3.657   1.121  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.293  -3.489  -0.626  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3    5                                       
CONECT    3    2    2    4   31                                       
CONECT    4    3    6    6   32                                       
CONECT    5    2    6                                                 
CONECT    6    4    4    5    7                                       
CONECT    7    6    8    8   33                                       
CONECT    8    7    7    9   34                                       
CONECT    9    8   10   10   11                                       
CONECT    9   11   12                                                 
CONECT   10    9    9                                                 
CONECT   11    9    9                                                 
CONECT   12    9   13   35                                            
CONECT   13   12   14   16   36                                       
CONECT   14   13   15   37   38                                       
CONECT   15   14   18   39   40                                       
CONECT   16   13   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   15   16   19                                            
CONECT   19   18   20   22   22                                       
CONECT   20   19   21   25   25                                       
CONECT   21   20                                                      
CONECT   22   19   19   23   41                                       
CONECT   23   22   24   24   43                                       
CONECT   24   23   23   25   26                                       
CONECT   25   20   20   24   42                                       
CONECT   26   24   27   28   44                                       
CONECT   27   26   45   46   47                                       
CONECT   28   26   29   30                                            
CONECT   29   28   48   49   50                                       
CONECT   30   28   51   52   53                                       
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   22                                                      
CONECT   42   25                                                      
CONECT   43   23                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
CONECT   48   29                                                      
CONECT   49   29                                                      
CONECT   50   29                                                      
CONECT   51   30                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
