COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.278  -3.132  -0.030  1.00  0.00           O  
HETATM    2  S   UNL     1       2.759  -1.986  -0.689  1.00  0.00           S  
HETATM    3  O   UNL     1       2.642  -1.875  -2.101  1.00  0.00           O  
HETATM    4  C   UNL     1       3.708  -0.598  -0.139  1.00  0.00           C  
HETATM    5  C   UNL     1       5.075  -0.660  -0.052  1.00  0.00           C  
HETATM    6  C   UNL     1       5.788   0.454   0.381  1.00  0.00           C  
HETATM    7  O   UNL     1       7.143   0.402   0.471  1.00  0.00           O  
HETATM    8  C   UNL     1       7.809   1.582   0.923  1.00  0.00           C  
HETATM    9  C   UNL     1       5.113   1.618   0.720  1.00  0.00           C  
HETATM   10  N   UNL     1       1.241  -1.700  -0.050  1.00  0.00           N  
HETATM   11  C   UNL     1       0.831  -0.377  -0.006  1.00  0.00           C  
HETATM   12  N   UNL     1       1.651   0.618   0.131  1.00  0.00           N  
HETATM   13  C   UNL     1       3.011   0.567   0.205  1.00  0.00           C  
HETATM   14  C   UNL     1       3.739   1.682   0.636  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.607  -0.087  -0.121  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.089   1.226  -0.084  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.249   2.276   0.059  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.560  -1.129  -0.280  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.198  -2.293  -0.324  1.00  0.00           O  
HETATM   20  N   UNL     1      -2.865  -0.820  -0.382  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.838  -1.904  -0.545  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.311  -2.376   0.831  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.326  -3.508   0.660  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.637  -4.720   0.031  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.891  -3.896   2.028  1.00  0.00           C  
HETATM   26  N   UNL     1      -3.289   0.390  -0.341  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.490   1.420  -0.202  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.052   2.792  -0.168  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.083   3.147  -1.037  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.602   4.425  -1.001  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.556   3.729   0.736  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.083   5.004   0.763  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.102   5.353  -0.105  1.00  0.00           C  
HETATM   34  H   UNL     1       5.595  -1.568  -0.318  1.00  0.00           H  
HETATM   35  H   UNL     1       7.592   2.405   0.241  1.00  0.00           H  
HETATM   36  H   UNL     1       7.459   1.837   1.923  1.00  0.00           H  
HETATM   37  H   UNL     1       8.885   1.406   0.948  1.00  0.00           H  
HETATM   38  H   UNL     1       5.669   2.481   1.054  1.00  0.00           H  
HETATM   39  H   UNL     1       0.678  -2.421   0.272  1.00  0.00           H  
HETATM   40  H   UNL     1       3.223   2.593   0.902  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.680   3.138  -0.014  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.692  -1.543  -1.119  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.370  -2.734  -1.074  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.457  -2.737   1.404  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.778  -1.545   1.360  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.137  -3.174   0.013  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.826  -5.054   0.678  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.360  -5.527  -0.091  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.234  -4.444  -0.943  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.382  -3.032   2.477  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.615  -4.702   1.907  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.080  -4.230   2.675  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.474   2.424  -1.737  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.400   4.702  -1.674  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.761   3.457   1.415  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.699   5.731   1.464  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.511   6.352  -0.081  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    3                                       
CONECT    2    4   10                                                 
CONECT    3    2    2                                                 
CONECT    4    2    5    5   13                                       
CONECT    5    4    4    6   34                                       
CONECT    6    5    7    9    9                                       
CONECT    7    6    8                                                 
CONECT    8    7   35   36   37                                       
CONECT    9    6    6   14   38                                       
CONECT   10    2   11   39                                            
CONECT   11   10   12   12   15                                       
CONECT   12   11   11   13                                            
CONECT   13    4   12   14   14                                       
CONECT   14    9   13   13   40                                       
CONECT   15   11   16   16   18                                       
CONECT   16   15   15   17   27                                       
CONECT   17   16   41                                                 
CONECT   18   15   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21   26                                            
CONECT   21   20   22   42   43                                       
CONECT   22   21   23   44   45                                       
CONECT   23   22   24   25   46                                       
CONECT   24   23   47   48   49                                       
CONECT   25   23   50   51   52                                       
CONECT   26   20   27   27                                            
CONECT   27   16   26   26   28                                       
CONECT   28   27   29   29   31                                       
CONECT   29   28   28   30   53                                       
CONECT   30   29   33   33   54                                       
CONECT   31   28   32   32   55                                       
CONECT   32   31   31   33   56                                       
CONECT   33   30   30   32   57                                       
CONECT   34    5                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   14                                                      
CONECT   41   17                                                      
CONECT   42   21                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
CONECT   52   25                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
CONECT   55   31                                                      
CONECT   56   32                                                      
CONECT   57   33                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
