COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.571  -1.118   0.849  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.435  -2.204  -0.503  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.054  -1.653  -0.600  1.00  0.00           C  
HETATM    4  C   UNL     1       1.091  -0.982   0.161  1.00  0.00           C  
HETATM    5  C   UNL     1       2.375  -1.074  -0.665  1.00  0.00           C  
HETATM    6  C   UNL     1       3.520  -0.402   0.096  1.00  0.00           C  
HETATM    7  C   UNL     1       4.805  -0.494  -0.730  1.00  0.00           C  
HETATM    8  C   UNL     1       5.950   0.177   0.031  1.00  0.00           C  
HETATM    9  N   UNL     1       5.674   1.613   0.163  1.00  0.00           N  
HETATM   10  C   UNL     1       6.731   2.289   0.926  1.00  0.00           C  
HETATM   11  C   UNL     1       8.063   2.152   0.186  1.00  0.00           C  
HETATM   12  O   UNL     1       9.095   2.793   0.938  1.00  0.00           O  
HETATM   13  C   UNL     1       8.398   0.667   0.019  1.00  0.00           C  
HETATM   14  O   UNL     1       8.552   0.065   1.305  1.00  0.00           O  
HETATM   15  C   UNL     1       7.259  -0.023  -0.736  1.00  0.00           C  
HETATM   16  C   UNL     1       7.557  -1.519  -0.855  1.00  0.00           C  
HETATM   17  O   UNL     1       8.716  -1.710  -1.670  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.339  -1.561   0.226  1.00  0.00           C  
HETATM   19  S   UNL     1      -3.829  -2.615   0.291  1.00  0.00           S  
HETATM   20  O   UNL     1      -3.432  -3.325   1.456  1.00  0.00           O  
HETATM   21  O   UNL     1      -4.704  -3.156  -0.688  1.00  0.00           O  
HETATM   22  H   UNL     1      -2.344  -2.389  -1.451  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.200  -1.149  -1.556  1.00  0.00           H  
HETATM   24  H   UNL     1       0.191  -2.701  -0.776  1.00  0.00           H  
HETATM   25  H   UNL     1       0.846   0.066   0.336  1.00  0.00           H  
HETATM   26  H   UNL     1       1.237  -1.486   1.116  1.00  0.00           H  
HETATM   27  H   UNL     1       2.621  -2.121  -0.841  1.00  0.00           H  
HETATM   28  H   UNL     1       2.230  -0.570  -1.621  1.00  0.00           H  
HETATM   29  H   UNL     1       3.275   0.645   0.271  1.00  0.00           H  
HETATM   30  H   UNL     1       3.666  -0.906   1.051  1.00  0.00           H  
HETATM   31  H   UNL     1       5.050  -1.541  -0.905  1.00  0.00           H  
HETATM   32  H   UNL     1       4.659   0.010  -1.686  1.00  0.00           H  
HETATM   33  H   UNL     1       6.038  -0.268   1.022  1.00  0.00           H  
HETATM   34  H   UNL     1       4.769   1.770   0.582  1.00  0.00           H  
HETATM   35  H   UNL     1       6.482   3.345   1.034  1.00  0.00           H  
HETATM   36  H   UNL     1       6.815   1.834   1.913  1.00  0.00           H  
HETATM   37  H   UNL     1       7.984   2.620  -0.796  1.00  0.00           H  
HETATM   38  H   UNL     1       8.947   3.737   1.085  1.00  0.00           H  
HETATM   39  H   UNL     1       9.324   0.564  -0.546  1.00  0.00           H  
HETATM   40  H   UNL     1       9.255   0.457   1.842  1.00  0.00           H  
HETATM   41  H   UNL     1       7.167   0.410  -1.732  1.00  0.00           H  
HETATM   42  H   UNL     1       7.739  -1.933   0.137  1.00  0.00           H  
HETATM   43  H   UNL     1       6.706  -2.024  -1.310  1.00  0.00           H  
HETATM   44  H   UNL     1       8.964  -2.637  -1.789  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.584  -0.514   0.401  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.193  -2.065   1.181  1.00  0.00           H  
HETATM   47  C   UNL     1      -5.031  -0.168  -0.079  1.00  0.00           C  
HETATM   48  C   UNL     1      -5.625   1.029   0.389  1.00  0.00           C  
HETATM   49  C   UNL     1      -5.744   1.245   1.771  1.00  0.00           C  
HETATM   50  C   UNL     1      -5.287   0.303   2.642  1.00  0.00           C  
HETATM   51  C   UNL     1      -4.709  -0.878   2.182  1.00  0.00           C  
HETATM   52  C   UNL     1      -6.086   1.983  -0.544  1.00  0.00           C  
HETATM   53  C   UNL     1      -5.950   1.732  -1.892  1.00  0.00           C  
HETATM   54  C   UNL     1      -5.364   0.552  -2.340  1.00  0.00           C  
HETATM   55  C   UNL     1      -4.910  -0.385  -1.463  1.00  0.00           C  
HETATM   56  N   UNL     1      -6.674   3.168  -0.106  1.00  0.00           N  
HETATM   57  C   UNL     1      -5.922   4.337  -0.581  1.00  0.00           C  
HETATM   58  C   UNL     1      -8.081   3.243  -0.522  1.00  0.00           C  
HETATM   59  H   UNL     1      -6.195   2.154   2.141  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.380   0.472   3.705  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.355  -1.609   2.894  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.302   2.459  -2.609  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.268   0.376  -3.402  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.459  -1.295  -1.830  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.903   4.338  -1.670  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.402   5.248  -0.224  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.902   4.291  -0.199  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.631   2.402  -0.099  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.516   4.177  -0.167  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.140   3.205  -1.610  1.00  0.00           H  
CONECT    1   19   47   51   51                                       
CONECT    2   18   19   22                                            
CONECT    3    4   18   23   24                                       
CONECT    4    3    5   25   26                                       
CONECT    5    6    4   27   28                                       
CONECT    6    7    5   29   30                                       
CONECT    7    8    6   31   32                                       
CONECT    8    9    7   15   33                                       
CONECT    9   10    8   34                                            
CONECT   10   11    9   35   36                                       
CONECT   11   12   10   13   37                                       
CONECT   12   11   38                                                 
CONECT   13   14   11   15   39                                       
CONECT   14   13   40                                                 
CONECT   15   13    8   16   41                                       
CONECT   16   15   17   42   43                                       
CONECT   17   16   44                                                 
CONECT   18    3    2   45   46                                       
CONECT   19    2    1   20   20                                       
CONECT   19   21   21                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22    2                                                      
CONECT   23    3                                                      
CONECT   24    3                                                      
CONECT   25    4                                                      
CONECT   26    4                                                      
CONECT   27    5                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47    1   48   48   55                                       
CONECT   48   47   47   49   52                                       
CONECT   49   48   50   50   59                                       
CONECT   50   49   49   51   60                                       
CONECT   51   50    1    1   61                                       
CONECT   52   48   53   53   56                                       
CONECT   53   52   52   54   62                                       
CONECT   54   53   55   55   63                                       
CONECT   55   54   54   47   64                                       
CONECT   56   52   57   58                                            
CONECT   57   56   65   66   67                                       
CONECT   58   56   68   69   70                                       
CONECT   59   49                                                      
CONECT   60   50                                                      
CONECT   61   51                                                      
CONECT   62   53                                                      
CONECT   63   54                                                      
CONECT   64   55                                                      
CONECT   65   57                                                      
CONECT   66   57                                                      
CONECT   67   57                                                      
CONECT   68   58                                                      
CONECT   69   58                                                      
CONECT   70   58                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
