COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.398   1.759  16.825  1.00  0.00           C  
HETATM    2  S   UNL     1       6.513   1.695  15.448  1.00  0.00           S  
HETATM    3  O   UNL     1       6.546   3.010  14.900  1.00  0.00           O  
HETATM    4  O   UNL     1       6.105   0.618  14.610  1.00  0.00           O  
HETATM    5  C   UNL     1       8.143   1.159  15.991  1.00  0.00           C  
HETATM    6  C   UNL     1       8.837   0.211  15.200  1.00  0.00           C  
HETATM    7  C   UNL     1      10.115  -0.260  15.585  1.00  0.00           C  
HETATM    8  C   UNL     1      10.718   0.214  16.769  1.00  0.00           C  
HETATM    9  C   UNL     1      10.024   1.154  17.557  1.00  0.00           C  
HETATM   10  C   UNL     1       8.740   1.632  17.175  1.00  0.00           C  
HETATM   11  C   UNL     1       8.086   2.628  18.081  1.00  0.00           C  
HETATM   12  C   UNL     1       8.171   4.008  17.810  1.00  0.00           C  
HETATM   13  C   UNL     1       7.533   4.889  18.699  1.00  0.00           C  
HETATM   14  F   UNL     1       7.603   6.214  18.486  1.00  0.00           F  
HETATM   15  C   UNL     1       7.359   2.155  19.212  1.00  0.00           C  
HETATM   16  C   UNL     1       6.718   3.038  20.099  1.00  0.00           C  
HETATM   17  C   UNL     1       6.811   4.428  19.835  1.00  0.00           C  
HETATM   18  N   UNL     1       6.161   5.322  20.722  1.00  0.00           N  
HETATM   19  C   UNL     1       6.754   6.440  21.226  1.00  0.00           C  
HETATM   20  O   UNL     1       7.905   6.807  21.064  1.00  0.00           O  
HETATM   21  C   UNL     1       4.786   5.148  21.170  1.00  0.00           C  
HETATM   22  C   UNL     1       4.392   6.580  21.533  1.00  0.00           C  
HETATM   23  C   UNL     1       5.719   7.190  22.022  1.00  0.00           C  
HETATM   24  N   UNL     1       5.807   8.615  21.750  1.00  0.00           N  
HETATM   25  S   UNL     1       6.357   9.693  22.823  1.00  0.00           S  
HETATM   26  O   UNL     1       6.429  10.872  22.008  1.00  0.00           O  
HETATM   27  O   UNL     1       5.553   9.654  23.999  1.00  0.00           O  
HETATM   28  C   UNL     1       7.936   9.170  23.346  1.00  0.00           C  
HETATM   29  C   UNL     1       8.073   8.707  24.732  1.00  0.00           C  
HETATM   30  C   UNL     1       9.333   8.203  25.328  1.00  0.00           C  
HETATM   31  S   UNL     1      10.828   8.459  24.542  1.00  0.00           S  
HETATM   32  C   UNL     1       9.402   7.539  26.564  1.00  0.00           C  
HETATM   33  C   UNL     1      10.757   7.218  26.857  1.00  0.00           C  
HETATM   34  C   UNL     1      11.606   7.665  25.814  1.00  0.00           C  
HETATM   35 CL   UNL     1      13.321   7.458  25.771  1.00  0.00          Cl  
HETATM   36  H   UNL     1       5.973   1.772  17.763  1.00  0.00           H  
HETATM   37  H   UNL     1       4.785   2.670  16.758  1.00  0.00           H  
HETATM   38  H   UNL     1       4.744   0.874  16.809  1.00  0.00           H  
HETATM   39  H   UNL     1       8.385  -0.157  14.291  1.00  0.00           H  
HETATM   40  H   UNL     1      10.630  -0.984  14.971  1.00  0.00           H  
HETATM   41  H   UNL     1      11.695  -0.138  17.066  1.00  0.00           H  
HETATM   42  H   UNL     1      10.476   1.518  18.468  1.00  0.00           H  
HETATM   43  H   UNL     1       8.708   4.376  16.948  1.00  0.00           H  
HETATM   44  H   UNL     1       7.299   1.092  19.392  1.00  0.00           H  
HETATM   45  H   UNL     1       6.172   2.669  20.955  1.00  0.00           H  
HETATM   46  H   UNL     1       4.143   4.729  20.382  1.00  0.00           H  
HETATM   47  H   UNL     1       4.678   4.435  22.001  1.00  0.00           H  
HETATM   48  H   UNL     1       5.839   7.099  23.112  1.00  0.00           H  
HETATM   49  H   UNL     1       3.990   7.123  20.665  1.00  0.00           H  
HETATM   50  H   UNL     1       3.592   6.629  22.286  1.00  0.00           H  
HETATM   51  H   UNL     1       6.422   8.693  20.965  1.00  0.00           H  
HETATM   52  H   UNL     1       8.224   8.329  22.698  1.00  0.00           H  
HETATM   53  H   UNL     1       8.569  10.067  23.282  1.00  0.00           H  
HETATM   54  H   UNL     1       7.802   9.578  25.346  1.00  0.00           H  
HETATM   55  H   UNL     1       7.464   7.791  24.713  1.00  0.00           H  
HETATM   56  H   UNL     1       8.557   7.308  27.195  1.00  0.00           H  
HETATM   57  H   UNL     1      11.091   6.706  27.748  1.00  0.00           H  
CONECT    1    2   36   37   38                                       
CONECT    2    1    3    3    4                                       
CONECT    2    4    5                                                 
CONECT    3    2    2                                                 
CONECT    4    2    2                                                 
CONECT    5    2    6   10   10                                       
CONECT    6    5    7    7   39                                       
CONECT    7    6    6    8   40                                       
CONECT    8    7    9    9   41                                       
CONECT    9    8    8   10   42                                       
CONECT   10    5    5    9   11                                       
CONECT   11   10   12   15   15                                       
CONECT   12   11   13   13   43                                       
CONECT   13   12   12   14   17                                       
CONECT   14   13                                                      
CONECT   15   11   11   16   44                                       
CONECT   16   15   17   17   45                                       
CONECT   17   13   16   16   18                                       
CONECT   18   17   19   21                                            
CONECT   19   18   20   20   23                                       
CONECT   20   19   19                                                 
CONECT   21   18   22   46   47                                       
CONECT   22   21   23   49   50                                       
CONECT   23   19   22   24   48                                       
CONECT   24   23   25   51                                            
CONECT   25   24   26   26   27                                       
CONECT   25   27   28                                                 
CONECT   26   25   25                                                 
CONECT   27   25   25                                                 
CONECT   28   25   29   52   53                                       
CONECT   29   28   30   54   55                                       
CONECT   30   29   31   32   32                                       
CONECT   31   30   34                                                 
CONECT   32   30   30   33   56                                       
CONECT   33   32   34   34   57                                       
CONECT   34   31   33   33   35                                       
CONECT   35   34                                                      
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   12                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   23                                                      
CONECT   49   22                                                      
CONECT   50   22                                                      
CONECT   51   24                                                      
CONECT   52   28                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
CONECT   55   29                                                      
CONECT   56   32                                                      
CONECT   57   33                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
