COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.876   2.151   0.326  1.00  0.00           O  
HETATM    2  S   UNL     1      -3.674   1.159   0.957  1.00  0.00           S  
HETATM    3  O   UNL     1      -4.270   1.396   2.225  1.00  0.00           O  
HETATM    4  C   UNL     1      -4.894   0.488  -0.205  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.978   1.508  -0.439  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.852   2.429  -1.462  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.847   3.365  -1.676  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.968   3.380  -0.868  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.095   2.458   0.155  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.102   1.520   0.366  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.627  -0.096   1.227  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.815  -0.621   0.126  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.626  -2.129   0.306  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.958  -2.821   0.171  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.358  -3.318  -1.055  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.579  -3.953  -1.179  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.401  -4.091  -0.076  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.001  -3.595   1.150  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.778  -2.964   1.275  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.469   0.057   0.127  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.088   0.648   1.116  1.00  0.00           O  
HETATM   22  N   UNL     1       0.312   0.007  -0.970  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.183  -0.632  -2.193  1.00  0.00           C  
HETATM   24  C   UNL     1       1.655   0.591  -0.941  1.00  0.00           C  
HETATM   25  C   UNL     1       2.647  -0.453  -0.497  1.00  0.00           C  
HETATM   26  O   UNL     1       2.269  -1.574  -0.230  1.00  0.00           O  
HETATM   27  N   UNL     1       3.954  -0.140  -0.395  1.00  0.00           N  
HETATM   28  C   UNL     1       4.918  -1.155   0.037  1.00  0.00           C  
HETATM   29  C   UNL     1       6.300  -0.555   0.067  1.00  0.00           C  
HETATM   30  C   UNL     1       6.765   0.048   1.223  1.00  0.00           C  
HETATM   31  C   UNL     1       8.029   0.600   1.256  1.00  0.00           C  
HETATM   32  C   UNL     1       8.839   0.549   0.122  1.00  0.00           C  
HETATM   33  C   UNL     1      10.197   1.140   0.151  1.00  0.00           C  
HETATM   34  N   UNL     1      10.637   1.707   1.238  1.00  0.00           N  
HETATM   35  N   UNL     1      10.995   1.088  -0.971  1.00  0.00           N  
HETATM   36  C   UNL     1       8.365  -0.059  -1.040  1.00  0.00           C  
HETATM   37  C   UNL     1       7.101  -0.613  -1.059  1.00  0.00           C  
HETATM   38  H   UNL     1      -4.405   0.255  -1.151  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.332  -0.419   0.211  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.551  -0.482   2.113  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.976   2.418  -2.094  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.203   0.798   1.163  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.748   4.085  -2.476  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.745   4.111  -1.035  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.970   2.470   0.787  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.318  -0.428  -0.821  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.943  -2.503  -0.456  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.212  -2.328   1.295  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.715  -3.210  -1.917  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.464  -2.579   2.234  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.891  -4.340  -2.138  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.356  -4.587  -0.173  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.644  -3.703   2.012  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.774   0.085  -2.763  1.00  0.00           H  
HETATM   55  H   UNL     1       0.661  -0.967  -2.795  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.804  -1.488  -1.929  1.00  0.00           H  
HETATM   57  H   UNL     1       1.920   0.942  -1.938  1.00  0.00           H  
HETATM   58  H   UNL     1       1.672   1.428  -0.244  1.00  0.00           H  
HETATM   59  H   UNL     1       4.256   0.756  -0.608  1.00  0.00           H  
HETATM   60  H   UNL     1       4.653  -1.507   1.034  1.00  0.00           H  
HETATM   61  H   UNL     1       4.901  -1.993  -0.660  1.00  0.00           H  
HETATM   62  H   UNL     1       6.136   0.086   2.101  1.00  0.00           H  
HETATM   63  H   UNL     1       6.735  -1.088  -1.957  1.00  0.00           H  
HETATM   64  H   UNL     1       8.390   1.070   2.159  1.00  0.00           H  
HETATM   65  H   UNL     1       8.988  -0.101  -1.921  1.00  0.00           H  
HETATM   66  H   UNL     1      11.526   2.094   1.257  1.00  0.00           H  
HETATM   67  H   UNL     1      10.667   0.666  -1.780  1.00  0.00           H  
HETATM   68  H   UNL     1      11.884   1.475  -0.951  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    3                                       
CONECT    2    4   11                                                 
CONECT    3    2    2                                                 
CONECT    4    2    5   38   39                                       
CONECT    5    4    6   10   10                                       
CONECT    6    5    7    7   41                                       
CONECT    7    6    6    8   43                                       
CONECT    8    7    9    9   44                                       
CONECT    9    8    8   10   45                                       
CONECT   10    5    5    9   42                                       
CONECT   11    2   12   40                                            
CONECT   12   11   13   20   46                                       
CONECT   13   12   14   47   48                                       
CONECT   14   13   15   19   19                                       
CONECT   15   14   16   16   49                                       
CONECT   16   15   15   17   51                                       
CONECT   17   16   18   18   52                                       
CONECT   18   17   17   19   53                                       
CONECT   19   14   14   18   50                                       
CONECT   20   12   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   24                                            
CONECT   23   22   54   55   56                                       
CONECT   24   22   25   57   58                                       
CONECT   25   24   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   59                                            
CONECT   28   27   29   60   61                                       
CONECT   29   28   30   37   37                                       
CONECT   30   29   31   31   62                                       
CONECT   31   30   30   32   64                                       
CONECT   32   31   33   36   36                                       
CONECT   33   32   34   34   35                                       
CONECT   34   33   33   66                                            
CONECT   35   33   67   68                                            
CONECT   36   32   32   37   65                                       
CONECT   37   29   29   36   63                                       
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40   11                                                      
CONECT   41    6                                                      
CONECT   42   10                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   15                                                      
CONECT   50   19                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   23                                                      
CONECT   55   23                                                      
CONECT   56   23                                                      
CONECT   57   24                                                      
CONECT   58   24                                                      
CONECT   59   27                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   30                                                      
CONECT   63   37                                                      
CONECT   64   31                                                      
CONECT   65   36                                                      
CONECT   66   34                                                      
CONECT   67   35                                                      
CONECT   68   35                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
