COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.783   1.115   0.821  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.247  -4.564  -0.398  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.538   0.413  -0.099  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.483   1.071  -0.864  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.048  -1.626   0.047  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.671   2.433  -0.710  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.915   3.135   0.211  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.975   2.475   0.980  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.395  -0.427   1.712  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.160  -2.575  -0.068  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.039  -3.906  -0.349  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.170  -0.578   0.924  1.00  0.00           N  
HETATM   13  N   UNL     1       1.022  -1.821  -0.689  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.753   0.397   1.655  1.00  0.00           C  
HETATM   15  N   UNL     1       8.102  -0.938   0.072  1.00  0.00           N  
HETATM   16  O   UNL     1      -1.143   2.185  -0.231  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.910   1.825   0.811  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.201   2.638   1.656  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.408   0.408   0.926  1.00  0.00           C  
HETATM   20 CL   UNL     1      -7.857   3.260  -1.671  1.00  0.00          Cl  
HETATM   21  C   UNL     1      -3.320  -3.796  -0.170  1.00  0.00           C  
HETATM   22 CL   UNL     1      -4.958  -4.371  -0.172  1.00  0.00          Cl  
HETATM   23  S   UNL     1      -2.862  -2.179   0.123  1.00  0.00           S  
HETATM   24  C   UNL     1       2.081  -0.993  -0.630  1.00  0.00           C  
HETATM   25  C   UNL     1       3.218  -1.208  -1.419  1.00  0.00           C  
HETATM   26  C   UNL     1       4.275  -0.352  -1.338  1.00  0.00           C  
HETATM   27  C   UNL     1       4.244   0.748  -0.472  1.00  0.00           C  
HETATM   28  C   UNL     1       5.405   1.664  -0.401  1.00  0.00           C  
HETATM   29  C   UNL     1       5.219   3.041  -0.507  1.00  0.00           C  
HETATM   30  C   UNL     1       6.304   3.891  -0.441  1.00  0.00           C  
HETATM   31  C   UNL     1       7.582   3.385  -0.270  1.00  0.00           C  
HETATM   32  C   UNL     1       7.786   2.024  -0.164  1.00  0.00           C  
HETATM   33  C   UNL     1       6.702   1.151  -0.222  1.00  0.00           C  
HETATM   34  C   UNL     1       6.914  -0.307  -0.103  1.00  0.00           C  
HETATM   35  N   UNL     1       7.789  -2.308   0.120  1.00  0.00           N  
HETATM   36  N   UNL     1       6.511  -2.404  -0.015  1.00  0.00           N  
HETATM   37  N   UNL     1       5.985  -1.240  -0.147  1.00  0.00           N  
HETATM   38  C   UNL     1       3.127   0.984   0.323  1.00  0.00           C  
HETATM   39  C   UNL     1       2.042   0.116   0.248  1.00  0.00           C  
HETATM   40  C   UNL     1       0.835   0.317   1.064  1.00  0.00           C  
HETATM   41  O   UNL     1       0.744   1.253   1.836  1.00  0.00           O  
HETATM   42  H   UNL     1      -2.323  -5.620  -0.609  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.391  -0.650  -0.220  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.073   0.522  -1.584  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.062   4.198   0.333  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.384   3.023   1.699  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.818  -1.410   1.920  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.163   0.074   2.652  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.090  -4.394  -0.515  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.649   0.901   2.616  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.071  -0.633   1.817  1.00  0.00           H  
HETATM   52  H   UNL     1       8.980  -0.531   0.143  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.848   3.105  -0.261  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.532  -0.016  -0.071  1.00  0.00           H  
HETATM   55  H   UNL     1       3.256  -2.052  -2.092  1.00  0.00           H  
HETATM   56  H   UNL     1       5.149  -0.524  -1.950  1.00  0.00           H  
HETATM   57  H   UNL     1       4.226   3.442  -0.640  1.00  0.00           H  
HETATM   58  H   UNL     1       6.156   4.957  -0.524  1.00  0.00           H  
HETATM   59  H   UNL     1       8.424   4.059  -0.221  1.00  0.00           H  
HETATM   60  H   UNL     1       8.786   1.637  -0.031  1.00  0.00           H  
HETATM   61  H   UNL     1       3.102   1.831   0.992  1.00  0.00           H  
CONECT    1    3    3    8   14                                       
CONECT    2   21   21   11   42                                       
CONECT    3    4    1    1   43                                       
CONECT    4    6    6    3   44                                       
CONECT    5   10   13   13   12                                       
CONECT    6   20    4    4    7                                       
CONECT    7    6    8    8   45                                       
CONECT    8    7    7    1   46                                       
CONECT    9   12   19   47   48                                       
CONECT   10   23   11   11    5                                       
CONECT   11    2   10   10   49                                       
CONECT   12    5    9   40                                            
CONECT   13    5    5   24                                            
CONECT   14    1   19   50   51                                       
CONECT   15   35   34   52                                            
CONECT   16   17   53                                                 
CONECT   17   19   18   18   16                                       
CONECT   18   17   17                                                 
CONECT   19    9   14   17   54                                       
CONECT   20    6                                                      
CONECT   21   22    2    2   23                                       
CONECT   22   21                                                      
CONECT   23   21   10                                                 
CONECT   24   13   25   25   39                                       
CONECT   25   24   24   26   55                                       
CONECT   26   25   27   27   56                                       
CONECT   27   26   26   38   28                                       
CONECT   28   27   33   33   29                                       
CONECT   29   28   30   30   57                                       
CONECT   30   29   29   31   58                                       
CONECT   31   32   32   30   59                                       
CONECT   32   33   31   31   60                                       
CONECT   33   34   28   28   32                                       
CONECT   34   37   37   15   33                                       
CONECT   35   36   36   15                                            
CONECT   36   37   35   35                                            
CONECT   37   36   34   34                                            
CONECT   38   39   39   27   61                                       
CONECT   39   24   40   38   38                                       
CONECT   40   12   39   41   41                                       
CONECT   41   40   40                                                 
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   11                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   19                                                      
CONECT   55   25                                                      
CONECT   56   26                                                      
CONECT   57   29                                                      
CONECT   58   30                                                      
CONECT   59   31                                                      
CONECT   60   32                                                      
CONECT   61   38                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
