COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.258   3.187  -0.139  1.00  0.00           C  
HETATM    2  C   UNL     1       0.269   4.290  -0.974  1.00  0.00           C  
HETATM    3  C   UNL     1       0.510   4.131  -2.326  1.00  0.00           C  
HETATM    4  C   UNL     1       0.740   2.870  -2.843  1.00  0.00           C  
HETATM    5  C   UNL     1       0.729   1.767  -2.010  1.00  0.00           C  
HETATM    6  C   UNL     1       0.489   1.925  -0.657  1.00  0.00           C  
HETATM    7  C   UNL     1       0.478   0.723   0.252  1.00  0.00           C  
HETATM    8  C   UNL     1       2.648  -0.278   0.065  1.00  0.00           C  
HETATM    9  C   UNL     1       3.399  -1.429  -0.606  1.00  0.00           C  
HETATM   10  C   UNL     1       4.894  -1.310  -0.301  1.00  0.00           C  
HETATM   11  C   UNL     1       5.190  -0.377   1.922  1.00  0.00           C  
HETATM   12  C   UNL     1       6.430  -2.341   1.223  1.00  0.00           C  
HETATM   13  C   UNL     1       6.967  -2.522  -0.212  1.00  0.00           C  
HETATM   14  C   UNL     1       5.691  -2.383  -1.083  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.938   0.236   0.423  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.727   0.582   1.422  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.055  -0.008   1.388  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.221  -0.840   0.274  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.454  -1.498   0.082  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.667  -2.384  -1.081  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.468  -1.290   1.018  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.227  -0.452   2.093  1.00  0.00           C  
HETATM   23  N   UNL     1       5.154  -1.609   1.123  1.00  0.00           N  
HETATM   24  N   UNL     1      -4.073   0.147   2.250  1.00  0.00           N  
HETATM   25  O   UNL     1       1.273  -0.316  -0.323  1.00  0.00           O  
HETATM   26  O   UNL     1      -3.774  -2.555  -1.887  1.00  0.00           O  
HETATM   27  O   UNL     1      -5.852  -3.004  -1.248  1.00  0.00           O  
HETATM   28  S   UNL     1      -1.747  -0.856  -0.684  1.00  0.00           S  
HETATM   29 CL   UNL     1      -0.037   3.387   1.560  1.00  0.00          Cl  
HETATM   30  H   UNL     1       0.089   5.275  -0.570  1.00  0.00           H  
HETATM   31  H   UNL     1       0.518   4.992  -2.977  1.00  0.00           H  
HETATM   32  H   UNL     1       0.928   2.746  -3.899  1.00  0.00           H  
HETATM   33  H   UNL     1       0.909   0.782  -2.415  1.00  0.00           H  
HETATM   34  H   UNL     1       0.887   0.999   1.223  1.00  0.00           H  
HETATM   35  H   UNL     1       2.723  -0.377   1.148  1.00  0.00           H  
HETATM   36  H   UNL     1       3.086   0.671  -0.244  1.00  0.00           H  
HETATM   37  H   UNL     1       3.025  -2.379  -0.223  1.00  0.00           H  
HETATM   38  H   UNL     1       3.243  -1.386  -1.684  1.00  0.00           H  
HETATM   39  H   UNL     1       5.253  -0.312  -0.553  1.00  0.00           H  
HETATM   40  H   UNL     1       5.930   0.306   1.503  1.00  0.00           H  
HETATM   41  H   UNL     1       4.208   0.097   1.905  1.00  0.00           H  
HETATM   42  H   UNL     1       5.459  -0.618   2.950  1.00  0.00           H  
HETATM   43  H   UNL     1       6.263  -3.316   1.682  1.00  0.00           H  
HETATM   44  H   UNL     1       7.141  -1.767   1.816  1.00  0.00           H  
HETATM   45  H   UNL     1       7.687  -1.740  -0.455  1.00  0.00           H  
HETATM   46  H   UNL     1       7.413  -3.509  -0.335  1.00  0.00           H  
HETATM   47  H   UNL     1       5.143  -3.324  -1.125  1.00  0.00           H  
HETATM   48  H   UNL     1       5.939  -2.033  -2.085  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.410   1.253   2.207  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.426  -1.776   0.905  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.009  -0.289   2.820  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.944  -3.574  -2.024  1.00  0.00           H  
CONECT    1   29    6    6    2                                       
CONECT    2    1    3    3   30                                       
CONECT    3    2    2    4   31                                       
CONECT    4    5    5    3   32                                       
CONECT    5    6    4    4   33                                       
CONECT    6    7    1    1    5                                       
CONECT    7   25   15    6   34                                       
CONECT    8    9   25   35   36                                       
CONECT    9   10    8   37   38                                       
CONECT   10   23   14    9   39                                       
CONECT   11   23   40   41   42                                       
CONECT   12   23   13   43   44                                       
CONECT   13   12   14   45   46                                       
CONECT   14   13   10   47   48                                       
CONECT   15   16   16    7   28                                       
CONECT   16   17   15   15   49                                       
CONECT   17   16   24   24   18                                       
CONECT   18   17   28   19   19                                       
CONECT   19   18   18   21   20                                       
CONECT   20   19   26   26   27                                       
CONECT   21   22   22   19   50                                       
CONECT   22   24   21   21   51                                       
CONECT   23   12   11   10                                            
CONECT   24   17   17   22                                            
CONECT   25    8    7                                                 
CONECT   26   20   20                                                 
CONECT   27   20   52                                                 
CONECT   28   15   18                                                 
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   16                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   27                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
