COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.402  -0.029  -0.051  1.00  0.00           C  
HETATM    2  C   UNL     1       0.108   0.295   0.093  1.00  0.00           C  
HETATM    3  C   UNL     1       2.400   0.973   0.329  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.912  -0.530  -0.217  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.182  -0.086  -0.145  1.00  0.00           C  
HETATM    6  S   UNL     1      -0.079   1.732   0.659  1.00  0.00           S  
HETATM    7  C   UNL     1       1.675   2.211   0.824  1.00  0.00           C  
HETATM    8  C   UNL     1       3.717   0.824   0.253  1.00  0.00           C  
HETATM    9  C   UNL     1       1.803  -1.343  -0.566  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.323  -1.009  -0.491  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.649  -0.263  -0.327  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.672   0.930  -1.246  1.00  0.00           C  
HETATM   13  S   UNL     1       4.444  -0.410  -0.372  1.00  0.00           S  
HETATM   14  O   UNL     1      -2.408   1.054   0.199  1.00  0.00           O  
HETATM   15  C   UNL     1       4.727   1.820   0.750  1.00  0.00           C  
HETATM   16  C   UNL     1       6.092   0.349  -0.636  1.00  0.00           C  
HETATM   17  O   UNL     1       1.709  -1.585  -1.754  1.00  0.00           O  
HETATM   18  O   UNL     1      -3.724   1.161  -1.959  1.00  0.00           O  
HETATM   19  C   UNL     1       6.166   1.310   0.581  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.772  -1.006   2.056  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.446  -1.751   1.892  1.00  0.00           C  
HETATM   22  O   UNL     1      -5.744   1.737  -1.273  1.00  0.00           O  
HETATM   23  O   UNL     1       2.275  -2.282   0.279  1.00  0.00           O  
HETATM   24  C   UNL     1      -3.300  -2.221   0.443  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.795   0.206   1.122  1.00  0.00           C  
HETATM   26  C   UNL     1       2.652  -3.559  -0.300  1.00  0.00           C  
HETATM   27  H   UNL     1      -0.731  -1.442  -0.492  1.00  0.00           H  
HETATM   28  H   UNL     1       1.925   2.415   1.865  1.00  0.00           H  
HETATM   29  H   UNL     1       1.903   3.071   0.194  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.219  -1.343  -1.523  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.474  -0.930  -0.577  1.00  0.00           H  
HETATM   32  H   UNL     1       4.612   2.750   0.193  1.00  0.00           H  
HETATM   33  H   UNL     1       4.542   2.016   1.806  1.00  0.00           H  
HETATM   34  H   UNL     1       6.882  -0.401  -0.596  1.00  0.00           H  
HETATM   35  H   UNL     1       6.125   0.902  -1.575  1.00  0.00           H  
HETATM   36  H   UNL     1       6.841   2.139   0.369  1.00  0.00           H  
HETATM   37  H   UNL     1       6.487   0.773   1.474  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.597  -1.673   1.805  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.876  -0.672   3.088  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.621  -1.084   2.142  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.430  -2.615   2.557  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.712   2.490  -1.879  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.125  -2.888   0.192  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.356  -2.751   0.326  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.970   0.873   1.372  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.740   0.737   1.239  1.00  0.00           H  
HETATM   47  H   UNL     1       1.785  -4.009  -0.784  1.00  0.00           H  
HETATM   48  H   UNL     1       3.440  -3.405  -1.037  1.00  0.00           H  
HETATM   49  H   UNL     1       3.014  -4.222   0.486  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.484   2.431  -0.417  1.00  0.00           H  
HETATM   51  H   UNL     1       4.647  -1.212   0.689  1.00  0.00           H  
CONECT    1    2    3    3    9                                       
CONECT    2    1    4    6    6                                       
CONECT    3    1    1    7    8                                       
CONECT    4    2    5   27                                            
CONECT    5    4   10   14   14                                       
CONECT    6    2    2    7   50                                       
CONECT    7    3    6   28   29                                       
CONECT    8    3   13   13   15                                       
CONECT    9    1   17   17   23                                       
CONECT   10    5   11   24   30                                       
CONECT   11   10   12   25   31                                       
CONECT   12   11   18   18   22                                       
CONECT   13    8    8   16   51                                       
CONECT   14    5    5                                                 
CONECT   15    8   19   32   33                                       
CONECT   16   13   19   34   35                                       
CONECT   17    9    9                                                 
CONECT   18   12   12                                                 
CONECT   19   15   16   36   37                                       
CONECT   20   21   25   38   39                                       
CONECT   21   20   24   40   41                                       
CONECT   22   12   42                                                 
CONECT   23    9   26                                                 
CONECT   24   10   21   43   44                                       
CONECT   25   11   20   45   46                                       
CONECT   26   23   47   48   49                                       
CONECT   27    4                                                      
CONECT   28    7                                                      
CONECT   29    7                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   15                                                      
CONECT   33   15                                                      
CONECT   34   16                                                      
CONECT   35   16                                                      
CONECT   36   19                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   24                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50    6                                                      
CONECT   51   13                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
