COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.727   0.050   0.666  1.00  0.00           C  
HETATM    2  S   UNL     1      -4.438   1.108  -0.048  1.00  0.00           S  
HETATM    3  C   UNL     1      -6.987   0.172  -0.153  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.202  -0.680  -1.219  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.358  -0.569  -1.970  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.298   0.394  -1.653  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.082   1.245  -0.586  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.926   1.135   0.164  1.00  0.00           C  
HETATM    9  O   UNL     1      -4.021   0.604  -1.310  1.00  0.00           O  
HETATM   10  O   UNL     1      -4.769   2.480   0.119  1.00  0.00           O  
HETATM   11  N   UNL     1      -3.125   0.882   0.936  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.481  -0.432   1.007  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.047  -1.214   2.194  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.995  -0.254   1.185  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.521   0.860   1.246  1.00  0.00           O  
HETATM   16  N   UNL     1      -0.193  -1.334   1.276  1.00  0.00           N  
HETATM   17  C   UNL     1       1.266  -1.304   1.450  1.00  0.00           C  
HETATM   18  C   UNL     1       1.905  -0.571   0.299  1.00  0.00           C  
HETATM   19  O   UNL     1       1.215  -0.113  -0.587  1.00  0.00           O  
HETATM   20  C   UNL     1       1.754  -2.768   1.475  1.00  0.00           C  
HETATM   21  C   UNL     1       0.613  -3.527   0.747  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.635  -2.739   1.223  1.00  0.00           C  
HETATM   23  N   UNL     1       3.244  -0.424   0.254  1.00  0.00           N  
HETATM   24  C   UNL     1       3.865   0.289  -0.865  1.00  0.00           C  
HETATM   25  C   UNL     1       5.360   0.314  -0.677  1.00  0.00           C  
HETATM   26  C   UNL     1       6.117  -0.795  -1.009  1.00  0.00           C  
HETATM   27  C   UNL     1       5.446  -2.027  -1.558  1.00  0.00           C  
HETATM   28  N   UNL     1       5.165  -1.837  -2.987  1.00  0.00           N  
HETATM   29  C   UNL     1       7.488  -0.773  -0.837  1.00  0.00           C  
HETATM   30  C   UNL     1       8.104   0.357  -0.333  1.00  0.00           C  
HETATM   31  C   UNL     1       7.347   1.467  -0.001  1.00  0.00           C  
HETATM   32 CL   UNL     1       8.120   2.886   0.633  1.00  0.00          Cl  
HETATM   33  C   UNL     1       5.976   1.447  -0.179  1.00  0.00           C  
HETATM   34  H   UNL     1      -5.928   0.363   1.690  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.390  -0.986   0.662  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.470  -1.436  -1.464  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.527  -1.235  -2.804  1.00  0.00           H  
HETATM   38  H   UNL     1     -10.201   0.481  -2.240  1.00  0.00           H  
HETATM   39  H   UNL     1      -9.817   1.997  -0.338  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.758   1.800   0.998  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.783   1.619   1.465  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.673  -0.981   0.085  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.855  -0.665   3.115  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.122  -1.343   2.065  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.568  -2.192   2.247  1.00  0.00           H  
HETATM   46  H   UNL     1       1.518  -0.811   2.389  1.00  0.00           H  
HETATM   47  H   UNL     1       2.693  -2.871   0.932  1.00  0.00           H  
HETATM   48  H   UNL     1       1.859  -3.122   2.500  1.00  0.00           H  
HETATM   49  H   UNL     1       0.730  -3.464  -0.335  1.00  0.00           H  
HETATM   50  H   UNL     1       0.565  -4.566   1.073  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.945  -3.076   2.212  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.451  -2.854   0.509  1.00  0.00           H  
HETATM   53  H   UNL     1       3.796  -0.790   0.962  1.00  0.00           H  
HETATM   54  H   UNL     1       3.625  -0.219  -1.799  1.00  0.00           H  
HETATM   55  H   UNL     1       3.487   1.311  -0.900  1.00  0.00           H  
HETATM   56  H   UNL     1       6.103  -2.887  -1.428  1.00  0.00           H  
HETATM   57  H   UNL     1       4.511  -2.201  -1.025  1.00  0.00           H  
HETATM   58  H   UNL     1       6.008  -1.610  -3.494  1.00  0.00           H  
HETATM   59  H   UNL     1       4.715  -2.650  -3.379  1.00  0.00           H  
HETATM   60  H   UNL     1       8.079  -1.639  -1.097  1.00  0.00           H  
HETATM   61  H   UNL     1       9.175   0.373  -0.198  1.00  0.00           H  
HETATM   62  H   UNL     1       5.385   2.314   0.076  1.00  0.00           H  
CONECT    1    3    2   34   35                                       
CONECT    2    1   11    9    9                                       
CONECT    2   10   10                                                 
CONECT    3    4    8    8    1                                       
CONECT    4    5    5    3   36                                       
CONECT    5    4    4    6   37                                       
CONECT    6    5    7    7   38                                       
CONECT    7    8    6    6   39                                       
CONECT    8    7    3    3   40                                       
CONECT    9    2    2                                                 
CONECT   10    2    2                                                 
CONECT   11    2   12   41                                            
CONECT   12   11   14   13   42                                       
CONECT   13   12   43   44   45                                       
CONECT   14   12   16   15   15                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   22                                            
CONECT   17   16   18   20   46                                       
CONECT   18   17   19   19   23                                       
CONECT   19   18   18                                                 
CONECT   20   17   21   47   48                                       
CONECT   21   20   22   49   50                                       
CONECT   22   16   21   51   52                                       
CONECT   23   18   24   53                                            
CONECT   24   23   25   54   55                                       
CONECT   25   24   26   26   33                                       
CONECT   26   25   25   27   29                                       
CONECT   27   26   28   56   57                                       
CONECT   28   27   58   59                                            
CONECT   29   26   30   30   60                                       
CONECT   30   29   29   31   61                                       
CONECT   31   32   30   33   33                                       
CONECT   32   31                                                      
CONECT   33   25   31   31   62                                       
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   17                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   24                                                      
CONECT   55   24                                                      
CONECT   56   27                                                      
CONECT   57   27                                                      
CONECT   58   28                                                      
CONECT   59   28                                                      
CONECT   60   29                                                      
CONECT   61   30                                                      
CONECT   62   33                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
