COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.025  -3.061   0.222  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.210  -4.503   0.617  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.951  -2.366   0.655  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.630  -0.305   0.751  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.737   0.077  -0.445  1.00  0.00           C  
HETATM    6  C   UNL     1       4.842   0.970  -0.608  1.00  0.00           C  
HETATM    7  C   UNL     1       6.144   0.523  -0.504  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.167   1.411  -0.458  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.046   1.911   1.086  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.618   3.323   1.230  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.702  -0.458  -0.510  1.00  0.00           C  
HETATM   12  O   UNL     1       2.513   0.599  -0.290  1.00  0.00           O  
HETATM   13  O   UNL     1       8.821  -0.565  -0.811  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.667   1.623  -0.389  1.00  0.00           C  
HETATM   15  C   UNL     1       0.840   2.214  -0.873  1.00  0.00           C  
HETATM   16  C   UNL     1       2.315   1.903  -0.839  1.00  0.00           C  
HETATM   17  C   UNL     1       3.796   0.161  -0.188  1.00  0.00           C  
HETATM   18  C   UNL     1       5.366  -1.538   0.438  1.00  0.00           C  
HETATM   19  C   UNL     1       4.062  -1.095   0.336  1.00  0.00           C  
HETATM   20  C   UNL     1       6.406  -0.732   0.013  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.312   2.096  -0.683  1.00  0.00           N  
HETATM   22  O   UNL     1       8.008  -2.720   0.160  1.00  0.00           O  
HETATM   23  O   UNL     1      -5.544   0.704  -0.828  1.00  0.00           O  
HETATM   24  N   UNL     1      -6.782  -1.127  -0.954  1.00  0.00           N  
HETATM   25  C   UNL     1      -6.972  -2.417  -0.610  1.00  0.00           C  
HETATM   26  O   UNL     1      -7.949  -3.023  -1.013  1.00  0.00           O  
HETATM   27  N   UNL     1      -4.795  -1.058   0.283  1.00  0.00           N  
HETATM   28  O   UNL     1      -4.054   0.919   1.375  1.00  0.00           O  
HETATM   29  O   UNL     1      -3.849   3.605   2.611  1.00  0.00           O  
HETATM   30  N   UNL     1       0.270   3.339  -1.320  1.00  0.00           N  
HETATM   31  N   UNL     1      -1.006   3.235  -1.199  1.00  0.00           N  
HETATM   32  S   UNL     1       8.069  -1.300   0.144  1.00  0.00           S  
HETATM   33  N   UNL     1       8.628  -0.840   1.634  1.00  0.00           N  
HETATM   34  H   UNL     1      -7.127  -4.887   0.168  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.361  -5.088   0.264  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.278  -4.578   1.702  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.218  -2.840   1.291  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.061  -0.905   1.461  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.742  -0.354  -0.332  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.190  -0.252  -1.380  1.00  0.00           H  
HETATM   41  H   UNL     1       4.637   1.951  -1.012  1.00  0.00           H  
HETATM   42  H   UNL     1       6.959   1.154  -0.827  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.075   0.421  -0.038  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.181   1.781   1.737  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.908   4.045   0.825  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.558   3.391   0.682  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.390   2.070  -1.071  1.00  0.00           H  
HETATM   48  H   UNL     1       2.827   2.640  -0.220  1.00  0.00           H  
HETATM   49  H   UNL     1       2.717   1.936  -1.851  1.00  0.00           H  
HETATM   50  H   UNL     1       5.573  -2.518   0.842  1.00  0.00           H  
HETATM   51  H   UNL     1       3.249  -1.727   0.664  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.427  -0.679  -1.524  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.213   4.486   2.777  1.00  0.00           H  
HETATM   54  H   UNL     1       9.298  -1.375   2.087  1.00  0.00           H  
HETATM   55  H   UNL     1       8.286  -0.035   2.053  1.00  0.00           H  
CONECT    1    2   25    3    3                                       
CONECT    2    1   34   35   36                                       
CONECT    3    1    1   27   37                                       
CONECT    4   28   27    5   38                                       
CONECT    5    4   14   39   40                                       
CONECT    6   17    7    7   41                                       
CONECT    7    6    6   20   42                                       
CONECT    8   21   15   15   43                                       
CONECT    9   10   28   14   44                                       
CONECT   10   29    9   45   46                                       
CONECT   11   24   27   23   23                                       
CONECT   12   16   17                                                 
CONECT   13   32   32                                                 
CONECT   14    9    5   21   47                                       
CONECT   15    8    8   30   16                                       
CONECT   16   15   12   48   49                                       
CONECT   17   12   19   19    6                                       
CONECT   18   19   20   20   50                                       
CONECT   19   17   17   18   51                                       
CONECT   20   18   18    7   32                                       
CONECT   21   14    8   31                                            
CONECT   22   32   32                                                 
CONECT   23   11   11                                                 
CONECT   24   25   11   52                                            
CONECT   25   26   26    1   24                                       
CONECT   26   25   25                                                 
CONECT   27    3   11    4                                            
CONECT   28    9    4                                                 
CONECT   29   10   53                                                 
CONECT   30   31   31   15                                            
CONECT   31   21   30   30                                            
CONECT   32   20   33   22   22                                       
CONECT   32   13   13                                                 
CONECT   33   32   54   55                                            
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   14                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   24                                                      
CONECT   53   29                                                      
CONECT   54   33                                                      
CONECT   55   33                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
