COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.991   1.183  -1.125  1.00  0.00           C  
HETATM    2  N   UNL     1       1.837   1.632  -0.666  1.00  0.00           N  
HETATM    3  C   UNL     1       1.285   1.178   0.446  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.792   5.200  -0.280  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.789   3.832  -0.400  1.00  0.00           C  
HETATM    6  C   UNL     1       3.895  -2.887   3.473  1.00  0.00           C  
HETATM    7  C   UNL     1       3.230  -1.813   2.651  1.00  0.00           C  
HETATM    8  C   UNL     1       3.822  -1.368   1.513  1.00  0.00           C  
HETATM    9  C   UNL     1       3.152  -0.322   0.746  1.00  0.00           C  
HETATM   10  C   UNL     1       3.696   0.193  -0.452  1.00  0.00           C  
HETATM   11  N   UNL     1       0.068   1.694   0.874  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.600   2.738   0.093  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.048   4.109   0.495  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.227   5.122   0.020  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.105   2.701   0.371  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.638   1.445  -0.053  1.00  0.00           O  
HETATM   17  C   UNL     1      -3.771   1.010   0.700  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.255  -0.338   0.162  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.376  -0.863   1.054  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.698  -2.314   0.691  1.00  0.00           C  
HETATM   21  S   UNL     1      -6.327  -2.371  -1.013  1.00  0.00           S  
HETATM   22  O   UNL     1      -7.503  -1.577  -1.090  1.00  0.00           O  
HETATM   23  O   UNL     1      -6.374  -3.727  -1.437  1.00  0.00           O  
HETATM   24  C   UNL     1      -4.994  -1.527  -1.913  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.748  -0.160  -1.271  1.00  0.00           C  
HETATM   26  C   UNL     1       1.920   0.179   1.196  1.00  0.00           C  
HETATM   27  N   UNL     1       1.368  -0.313   2.358  1.00  0.00           N  
HETATM   28  C   UNL     1       1.993  -1.273   3.065  1.00  0.00           C  
HETATM   29  O   UNL     1       1.477  -1.686   4.089  1.00  0.00           O  
HETATM   30  C   UNL     1       4.986  -0.309  -0.977  1.00  0.00           C  
HETATM   31  C   UNL     1       6.104  -0.394  -0.146  1.00  0.00           C  
HETATM   32  N   UNL     1       7.254  -0.840  -0.608  1.00  0.00           N  
HETATM   33  C   UNL     1       7.401  -1.223  -1.862  1.00  0.00           C  
HETATM   34  C   UNL     1       6.337  -1.170  -2.754  1.00  0.00           C  
HETATM   35  N   UNL     1       6.505  -1.579  -4.080  1.00  0.00           N  
HETATM   36  C   UNL     1       5.102  -0.711  -2.310  1.00  0.00           C  
HETATM   37  H   UNL     1       3.392   1.588  -2.042  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.411   6.178   0.014  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.637   5.056  -1.349  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.859   3.818  -0.193  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.624   3.695  -1.469  1.00  0.00           H  
HETATM   42  H   UNL     1       4.551  -2.425   4.211  1.00  0.00           H  
HETATM   43  H   UNL     1       3.134  -3.477   3.983  1.00  0.00           H  
HETATM   44  H   UNL     1       4.481  -3.534   2.821  1.00  0.00           H  
HETATM   45  H   UNL     1       4.768  -1.774   1.187  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.339   1.363   1.689  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.420   2.570  -0.969  1.00  0.00           H  
HETATM   48  H   UNL     1       1.015   4.157   0.259  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.192   4.260   1.564  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.727   5.890  -0.403  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.281   2.830   1.439  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.492   0.904   1.748  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.571   1.745   0.610  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.427  -1.046   0.171  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.062  -0.813   2.097  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.266  -0.251   0.915  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.793  -2.918   0.766  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.453  -2.703   1.373  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.084  -2.124  -1.861  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.286  -1.394  -2.955  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.677   0.410  -1.266  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.997   0.381  -1.847  1.00  0.00           H  
HETATM   63  H   UNL     1       0.519   0.036   2.670  1.00  0.00           H  
HETATM   64  H   UNL     1       6.026  -0.089   0.887  1.00  0.00           H  
HETATM   65  H   UNL     1       8.362  -1.582  -2.199  1.00  0.00           H  
HETATM   66  H   UNL     1       7.368  -1.901  -4.382  1.00  0.00           H  
HETATM   67  H   UNL     1       5.758  -1.539  -4.698  1.00  0.00           H  
HETATM   68  H   UNL     1       4.255  -0.663  -2.979  1.00  0.00           H  
CONECT    1    2   10   10   37                                       
CONECT    2    3    3    1                                            
CONECT    3   11    2    2   26                                       
CONECT    4   14   13   38   39                                       
CONECT    5   14   15   40   41                                       
CONECT    6    7   42   43   44                                       
CONECT    7   28    8    8    6                                       
CONECT    8    9    7    7   45                                       
CONECT    9   26   26   10    8                                       
CONECT   10    1    1    9   30                                       
CONECT   11   12    3   46                                            
CONECT   12   15   13   11   47                                       
CONECT   13    4   12   48   49                                       
CONECT   14    5    4   50                                            
CONECT   15   16    5   12   51                                       
CONECT   16   17   15                                                 
CONECT   17   18   16   52   53                                       
CONECT   18   25   19   17   54                                       
CONECT   19   20   18   55   56                                       
CONECT   20   21   19   57   58                                       
CONECT   21   23   23   24   22                                       
CONECT   21   22   20                                                 
CONECT   22   21   21                                                 
CONECT   23   21   21                                                 
CONECT   24   21   25   59   60                                       
CONECT   25   24   18   61   62                                       
CONECT   26    3   27    9    9                                       
CONECT   27   26   28   63                                            
CONECT   28   27   29   29    7                                       
CONECT   29   28   28                                                 
CONECT   30   31   10   36   36                                       
CONECT   31   32   32   30   64                                       
CONECT   32   31   31   33                                            
CONECT   33   32   34   34   65                                       
CONECT   34   33   33   36   35                                       
CONECT   35   34   66   67                                            
CONECT   36   30   30   34   68                                       
CONECT   37    1                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    8                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   20                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   25                                                      
CONECT   63   27                                                      
CONECT   64   31                                                      
CONECT   65   33                                                      
CONECT   66   35                                                      
CONECT   67   35                                                      
CONECT   68   36                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
