COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.851  -0.698  -0.543  1.00  0.00           C  
HETATM    2  C   UNL     1       6.965   2.685  -0.542  1.00  0.00           C  
HETATM    3  C   UNL     1       7.264   2.427   1.941  1.00  0.00           C  
HETATM    4  C   UNL     1       5.723   1.101   0.454  1.00  0.00           C  
HETATM    5  C   UNL     1       5.088   0.203   1.310  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.568  -0.743   0.352  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.758   0.534   0.843  1.00  0.00           C  
HETATM    8  C   UNL     1       2.856  -1.660  -1.056  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.348  -1.214  -0.690  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.136   2.943  -0.280  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.518   0.874  -0.760  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.323  -0.408  -1.247  1.00  0.00           C  
HETATM   13  C   UNL     1       0.093   0.635  -0.439  1.00  0.00           C  
HETATM   14  C   UNL     1       0.014  -0.454   0.632  1.00  0.00           C  
HETATM   15  C   UNL     1       1.397  -1.088   0.825  1.00  0.00           C  
HETATM   16  N   UNL     1       1.719  -1.885  -0.367  1.00  0.00           N  
HETATM   17  C   UNL     1       0.779  -2.930  -0.795  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.604  -2.296  -0.988  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.926  -1.500   0.204  1.00  0.00           N  
HETATM   20  S   UNL     1      -2.323  -1.776   1.050  1.00  0.00           S  
HETATM   21  O   UNL     1      -2.095  -1.294   2.368  1.00  0.00           O  
HETATM   22  O   UNL     1      -2.706  -3.114   0.767  1.00  0.00           O  
HETATM   23  N   UNL     1      -6.396   1.904  -1.099  1.00  0.00           N  
HETATM   24  O   UNL     1      -6.716   4.011  -0.296  1.00  0.00           O  
HETATM   25  O   UNL     1      -5.139   2.615   0.556  1.00  0.00           O  
HETATM   26  C   UNL     1      -4.733   1.349   0.291  1.00  0.00           C  
HETATM   27  O   UNL     1       3.061  -2.250  -2.099  1.00  0.00           O  
HETATM   28  C   UNL     1       4.170  -0.679   0.822  1.00  0.00           C  
HETATM   29  N   UNL     1       6.666   2.080   0.649  1.00  0.00           N  
HETATM   30  C   UNL     1       6.240   2.136  -1.529  1.00  0.00           C  
HETATM   31  C   UNL     1       5.415   1.089  -0.920  1.00  0.00           C  
HETATM   32  C   UNL     1       4.477   0.187  -1.417  1.00  0.00           C  
HETATM   33  H   UNL     1       7.678   3.486  -0.668  1.00  0.00           H  
HETATM   34  H   UNL     1       8.159   1.825   2.100  1.00  0.00           H  
HETATM   35  H   UNL     1       7.530   3.484   1.946  1.00  0.00           H  
HETATM   36  H   UNL     1       6.547   2.229   2.737  1.00  0.00           H  
HETATM   37  H   UNL     1       5.323   0.206   2.364  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.147   0.897   1.656  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.194  -2.213  -1.069  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.930  -0.776  -2.061  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.895   1.074  -0.585  1.00  0.00           H  
HETATM   42  H   UNL     1       0.790   1.409  -0.119  1.00  0.00           H  
HETATM   43  H   UNL     1       0.439   0.199  -1.376  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.326  -0.019   1.572  1.00  0.00           H  
HETATM   45  H   UNL     1       2.144  -0.304   0.954  1.00  0.00           H  
HETATM   46  H   UNL     1       1.385  -1.730   1.706  1.00  0.00           H  
HETATM   47  H   UNL     1       1.118  -3.363  -1.736  1.00  0.00           H  
HETATM   48  H   UNL     1       0.723  -3.706  -0.032  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.592  -1.652  -1.867  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.351  -3.080  -1.117  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.069   1.878  -1.796  1.00  0.00           H  
HETATM   52  H   UNL     1       3.684  -1.371   1.494  1.00  0.00           H  
HETATM   53  H   UNL     1       6.264   2.411  -2.573  1.00  0.00           H  
HETATM   54  H   UNL     1       4.238   0.173  -2.470  1.00  0.00           H  
CONECT    1   28    8   32   32                                       
CONECT    2   29   30   30   33                                       
CONECT    3   29   34   35   36                                       
CONECT    4    5   29   31   31                                       
CONECT    5   28   28    4   37                                       
CONECT    6   20    9    9    7                                       
CONECT    7    6   26   26   38                                       
CONECT    8    1   27   27   16                                       
CONECT    9    6    6   12   39                                       
CONECT   10   25   23   24   24                                       
CONECT   11   12   12   26   23                                       
CONECT   12    9   11   11   40                                       
CONECT   13   14   41   42   43                                       
CONECT   14   15   19   13   44                                       
CONECT   15   16   14   45   46                                       
CONECT   16    8   15   17                                            
CONECT   17   16   18   47   48                                       
CONECT   18   17   19   49   50                                       
CONECT   19   14   18   20                                            
CONECT   20   19   21   21   22                                       
CONECT   20   22    6                                                 
CONECT   21   20   20                                                 
CONECT   22   20   20                                                 
CONECT   23   11   10   51                                            
CONECT   24   10   10                                                 
CONECT   25   26   10                                                 
CONECT   26    7    7   11   25                                       
CONECT   27    8    8                                                 
CONECT   28    5    5    1   52                                       
CONECT   29    3    4    2                                            
CONECT   30    2    2   31   53                                       
CONECT   31    4    4   32   30                                       
CONECT   32    1    1   31   54                                       
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    5                                                      
CONECT   38    7                                                      
CONECT   39    9                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   18                                                      
CONECT   51   23                                                      
CONECT   52   28                                                      
CONECT   53   30                                                      
CONECT   54   32                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
