COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.388   0.347   0.030  1.00  0.00           C  
HETATM    2 CL   UNL     1      -9.131   1.693  -0.288  1.00  0.00          Cl  
HETATM    3  C   UNL     1      -5.560  -1.052  -0.138  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.422  -1.875  -0.084  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.189  -1.285   0.129  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.067   0.037   0.283  1.00  0.00           N  
HETATM    7  C   UNL     1      -4.090   0.850   0.242  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.846  -1.571  -0.349  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.913  -0.725  -0.391  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.745   0.649  -0.227  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.510   1.187  -0.014  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.980  -2.135   0.188  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.772  -1.575   0.395  1.00  0.00           N  
HETATM   14  C   UNL     1       0.426  -2.417   0.454  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.076  -3.339   0.050  1.00  0.00           O  
HETATM   16  C   UNL     1       1.505  -1.712   1.278  1.00  0.00           C  
HETATM   17  C   UNL     1       2.756  -2.591   1.339  1.00  0.00           C  
HETATM   18  C   UNL     1       3.276  -2.838  -0.079  1.00  0.00           C  
HETATM   19  C   UNL     1       2.196  -3.543  -0.903  1.00  0.00           C  
HETATM   20  C   UNL     1       0.946  -2.664  -0.964  1.00  0.00           C  
HETATM   21  N   UNL     1       1.839  -0.431   0.650  1.00  0.00           N  
HETATM   22  C   UNL     1       2.350   0.571   1.394  1.00  0.00           C  
HETATM   23  C   UNL     1       2.686   1.858   0.763  1.00  0.00           C  
HETATM   24  O   UNL     1       2.533   0.411   2.585  1.00  0.00           O  
HETATM   25  N   UNL     1       3.181   2.892   1.375  1.00  0.00           N  
HETATM   26  C   UNL     1       3.417   3.963   0.636  1.00  0.00           C  
HETATM   27  C   UNL     1       3.102   3.820  -0.668  1.00  0.00           C  
HETATM   28  S   UNL     1       2.488   2.244  -0.941  1.00  0.00           S  
HETATM   29  C   UNL     1       3.415   5.110  -1.402  1.00  0.00           C  
HETATM   30  N   UNL     1       3.529   6.142  -0.349  1.00  0.00           N  
HETATM   31  C   UNL     1       3.967   5.372   0.835  1.00  0.00           C  
HETATM   32  C   UNL     1       4.525   7.159  -0.714  1.00  0.00           C  
HETATM   33  H   UNL     1      -4.508  -2.945  -0.206  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.940   1.912   0.371  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.990  -2.634  -0.479  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.903  -1.124  -0.554  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.395   2.253   0.113  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.695  -0.614   0.505  1.00  0.00           H  
HETATM   39  H   UNL     1       0.177  -3.370   0.920  1.00  0.00           H  
HETATM   40  H   UNL     1       1.135  -1.536   2.287  1.00  0.00           H  
HETATM   41  H   UNL     1       3.525  -2.089   1.926  1.00  0.00           H  
HETATM   42  H   UNL     1       2.507  -3.545   1.806  1.00  0.00           H  
HETATM   43  H   UNL     1       3.524  -1.885  -0.545  1.00  0.00           H  
HETATM   44  C   UNL     1       4.507  -3.704  -0.019  1.00  0.00           C  
HETATM   45  H   UNL     1       2.567  -3.719  -1.913  1.00  0.00           H  
HETATM   46  H   UNL     1       1.947  -4.496  -0.436  1.00  0.00           H  
HETATM   47  H   UNL     1       0.177  -3.166  -1.551  1.00  0.00           H  
HETATM   48  H   UNL     1       1.194  -1.710  -1.431  1.00  0.00           H  
HETATM   49  H   UNL     1       1.693  -0.303  -0.300  1.00  0.00           H  
HETATM   50  H   UNL     1       4.357   5.017  -1.943  1.00  0.00           H  
HETATM   51  H   UNL     1       2.607   5.359  -2.089  1.00  0.00           H  
HETATM   52  H   UNL     1       3.556   5.812   1.744  1.00  0.00           H  
HETATM   53  H   UNL     1       5.056   5.348   0.887  1.00  0.00           H  
HETATM   54  H   UNL     1       4.227   7.641  -1.645  1.00  0.00           H  
HETATM   55  H   UNL     1       4.589   7.905   0.078  1.00  0.00           H  
HETATM   56  H   UNL     1       5.497   6.684  -0.845  1.00  0.00           H  
HETATM   57  O   UNL     1       4.693  -4.429   0.936  1.00  0.00           O  
HETATM   58  N   UNL     1       5.402  -3.674  -1.026  1.00  0.00           N  
HETATM   59  C   UNL     1       6.551  -4.583  -1.013  1.00  0.00           C  
HETATM   60  C   UNL     1       5.227  -2.732  -2.134  1.00  0.00           C  
HETATM   61  H   UNL     1       6.285  -5.511  -1.519  1.00  0.00           H  
HETATM   62  H   UNL     1       7.391  -4.116  -1.527  1.00  0.00           H  
HETATM   63  H   UNL     1       6.831  -4.800   0.018  1.00  0.00           H  
HETATM   64  H   UNL     1       4.374  -2.085  -1.929  1.00  0.00           H  
HETATM   65  H   UNL     1       6.126  -2.125  -2.240  1.00  0.00           H  
HETATM   66  H   UNL     1       5.050  -3.284  -3.056  1.00  0.00           H  
CONECT    1    3    3    7   11                                       
CONECT    2   10                                                      
CONECT    3    1    1    4    8                                       
CONECT    4    3    5    5   33                                       
CONECT    5    4    4    6   12                                       
CONECT    6    5    7    7                                            
CONECT    7    1    6    6   34                                       
CONECT    8    3    9    9   35                                       
CONECT    9    8    8   10   36                                       
CONECT   10    2    9   11   11                                       
CONECT   11    1   10   10   37                                       
CONECT   12    5   13   15   15                                       
CONECT   13   12   14   38                                            
CONECT   14   13   16   20   39                                       
CONECT   15   12   12                                                 
CONECT   16   14   17   21   40                                       
CONECT   17   16   18   41   42                                       
CONECT   18   17   19   43   44                                       
CONECT   19   18   20   45   46                                       
CONECT   20   14   19   47   48                                       
CONECT   21   16   22   49                                            
CONECT   22   21   23   24   24                                       
CONECT   23   22   25   25   28                                       
CONECT   24   22   22                                                 
CONECT   25   23   23   26                                            
CONECT   26   25   27   27   31                                       
CONECT   27   26   26   28   29                                       
CONECT   28   23   27                                                 
CONECT   29   27   30   50   51                                       
CONECT   30   29   31   32                                            
CONECT   31   26   30   52   53                                       
CONECT   32   30   54   55   56                                       
CONECT   33    4                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   11                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   18   57   57   58                                       
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   29                                                      
CONECT   51   29                                                      
CONECT   52   31                                                      
CONECT   53   31                                                      
CONECT   54   32                                                      
CONECT   55   32                                                      
CONECT   56   32                                                      
CONECT   57   44   44                                                 
CONECT   58   44   59   60                                            
CONECT   59   58   61   62   63                                       
CONECT   60   58   64   65   66                                       
CONECT   61   59                                                      
CONECT   62   59                                                      
CONECT   63   59                                                      
CONECT   64   60                                                      
CONECT   65   60                                                      
CONECT   66   60                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
