COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -0.304   0.887  -0.681  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.514  -0.498  -1.237  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.482  -1.250  -0.360  1.00  0.00           C  
HETATM    4  C   UNL     1       6.125  -4.211   0.105  1.00  0.00           C  
HETATM    5  C   UNL     1       5.898  -1.854  -0.267  1.00  0.00           C  
HETATM    6  C   UNL     1       4.927  -0.797  -0.799  1.00  0.00           C  
HETATM    7  C   UNL     1       2.749   0.122  -0.211  1.00  0.00           C  
HETATM    8  C   UNL     1       1.533   0.179   0.677  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.034  -2.076   0.631  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.947  -2.762   1.430  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.153  -3.386   2.130  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.745  -1.843   0.312  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.133  -1.711   0.138  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.617  -0.893  -0.836  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.757  -0.180  -1.669  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.406  -0.282  -1.531  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.872  -1.117  -0.536  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.299   3.269  -0.029  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.383   4.627   0.270  1.00  0.00           C  
HETATM   20  C   UNL     1       0.497   5.188   1.168  1.00  0.00           C  
HETATM   21  C   UNL     1       1.466   4.403   1.776  1.00  0.00           C  
HETATM   22  C   UNL     1       1.563   3.073   1.495  1.00  0.00           C  
HETATM   23  C   UNL     1       0.676   2.471   0.580  1.00  0.00           C  
HETATM   24  N   UNL     1       3.745  -0.742   0.065  1.00  0.00           N  
HETATM   25  N   UNL     1       0.603   1.191   0.169  1.00  0.00           N1+
HETATM   26  N   UNL     1      -3.241  -2.640   1.260  1.00  0.00           N1+
HETATM   27  O   UNL     1       5.297  -3.146  -0.367  1.00  0.00           O  
HETATM   28  O   UNL     1       2.831   0.855  -1.174  1.00  0.00           O  
HETATM   29  S   UNL     1      -1.241   2.246  -1.110  1.00  0.00           S  
HETATM   30  H   UNL     1      -0.919  -0.426  -2.247  1.00  0.00           H  
HETATM   31  H   UNL     1       0.438  -1.027  -1.265  1.00  0.00           H  
HETATM   32  H   UNL     1       5.597  -5.158  -0.005  1.00  0.00           H  
HETATM   33  H   UNL     1       7.047  -4.239  -0.476  1.00  0.00           H  
HETATM   34  H   UNL     1       6.363  -4.047   1.156  1.00  0.00           H  
HETATM   35  H   UNL     1       6.815  -1.834  -0.856  1.00  0.00           H  
HETATM   36  H   UNL     1       6.131  -1.641   0.776  1.00  0.00           H  
HETATM   37  H   UNL     1       5.418   0.176  -0.805  1.00  0.00           H  
HETATM   38  H   UNL     1       4.625  -1.059  -1.812  1.00  0.00           H  
HETATM   39  H   UNL     1       1.042  -0.794   0.684  1.00  0.00           H  
HETATM   40  H   UNL     1       1.835   0.440   1.691  1.00  0.00           H  
HETATM   41  H   UNL     1       0.026  -2.198   0.796  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.579  -3.412   2.210  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.392  -2.785   3.007  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.069  -3.615   1.585  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.677  -4.315   2.445  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.814  -2.257   0.774  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.685  -0.795  -0.966  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.167   0.462  -2.434  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.750   0.275  -2.182  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.137   5.239  -0.202  1.00  0.00           H  
HETATM   51  H   UNL     1       0.432   6.241   1.401  1.00  0.00           H  
HETATM   52  H   UNL     1       2.152   4.851   2.479  1.00  0.00           H  
HETATM   53  H   UNL     1       2.323   2.477   1.977  1.00  0.00           H  
HETATM   54  H   UNL     1       3.679  -1.328   0.835  1.00  0.00           H  
CONECT    1    2   25   25   29                                       
CONECT    2    1    3   30   31                                       
CONECT    3    2    9    9   17                                       
CONECT    4   27   32   33   34                                       
CONECT    5    6   27   35   36                                       
CONECT    6    5   24   37   38                                       
CONECT    7    8   24   28   28                                       
CONECT    8    7   25   39   40                                       
CONECT    9    3    3   10   41                                       
CONECT   10    9   26   26   42                                       
CONECT   11   26   43   44   45                                       
CONECT   12   13   13   17   26                                       
CONECT   13   12   12   14   46                                       
CONECT   14   13   15   15   47                                       
CONECT   15   14   14   16   48                                       
CONECT   16   15   17   17   49                                       
CONECT   17    3   12   16   16                                       
CONECT   18   19   19   23   29                                       
CONECT   19   18   18   20   50                                       
CONECT   20   19   21   21   51                                       
CONECT   21   20   20   22   52                                       
CONECT   22   21   23   23   53                                       
CONECT   23   18   22   22   25                                       
CONECT   24    6    7   54                                            
CONECT   25    1    1    8   23                                       
CONECT   26   10   10   11   12                                       
CONECT   27    4    5                                                 
CONECT   28    7    7                                                 
CONECT   29    1   18                                                 
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   24                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
