COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -7.368   1.509   1.427  1.00  0.00           N  
HETATM    2  S   UNL     1      -7.054   0.798  -0.035  1.00  0.00           S  
HETATM    3  O   UNL     1      -7.910  -0.333  -0.123  1.00  0.00           O  
HETATM    4  O   UNL     1      -7.047   1.844  -0.997  1.00  0.00           O  
HETATM    5  C   UNL     1      -5.408   0.173   0.032  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.179  -1.117   0.477  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.893  -1.612   0.533  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.821  -0.810   0.138  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.060   0.490  -0.312  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.351   0.971  -0.367  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.440  -1.334   0.195  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.408  -0.557  -0.188  1.00  0.00           N  
HETATM   13  C   UNL     1       0.961  -1.076  -0.131  1.00  0.00           C  
HETATM   14  C   UNL     1       1.935  -0.001  -0.617  1.00  0.00           C  
HETATM   15  C   UNL     1       3.343  -0.535  -0.558  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.236  -2.466   0.587  1.00  0.00           O  
HETATM   17  O   UNL     1       3.547  -1.665  -0.167  1.00  0.00           O  
HETATM   18  N   UNL     1       4.376   0.243  -0.941  1.00  0.00           N  
HETATM   19  C   UNL     1       5.589  -0.217  -0.891  1.00  0.00           C  
HETATM   20  C   UNL     1       6.743   0.652  -1.319  1.00  0.00           C  
HETATM   21  C   UNL     1       7.752   0.733  -0.202  1.00  0.00           C  
HETATM   22  C   UNL     1       9.488   0.358   1.077  1.00  0.00           C  
HETATM   23  C   UNL     1       7.726   1.582   0.843  1.00  0.00           C  
HETATM   24  N   UNL     1       8.867  -0.046  -0.052  1.00  0.00           N  
HETATM   25  N   UNL     1       8.800   1.331   1.607  1.00  0.00           N  
HETATM   26  H   UNL     1      -8.097   1.184   1.978  1.00  0.00           H  
HETATM   27  H   UNL     1      -6.821   2.249   1.734  1.00  0.00           H  
HETATM   28  H   UNL     1      -6.009  -1.737   0.783  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.715  -2.619   0.882  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.236   1.115  -0.623  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.537   1.977  -0.714  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.571   0.347  -0.501  1.00  0.00           H  
HETATM   33  H   UNL     1       1.203  -1.349   0.896  1.00  0.00           H  
HETATM   34  H   UNL     1       1.042  -1.955  -0.770  1.00  0.00           H  
HETATM   35  H   UNL     1       1.692   0.273  -1.643  1.00  0.00           H  
HETATM   36  H   UNL     1       1.853   0.878   0.023  1.00  0.00           H  
HETATM   37  H   UNL     1       5.771  -1.223  -0.543  1.00  0.00           H  
HETATM   38  H   UNL     1       7.214   0.222  -2.203  1.00  0.00           H  
HETATM   39  H   UNL     1       6.378   1.652  -1.551  1.00  0.00           H  
HETATM   40  H   UNL     1      10.401  -0.059   1.477  1.00  0.00           H  
HETATM   41  H   UNL     1       6.973   2.332   1.033  1.00  0.00           H  
HETATM   42  H   UNL     1       9.158  -0.756  -0.646  1.00  0.00           H  
CONECT    1    2   26   27                                            
CONECT    2    4    4    5    3                                       
CONECT    2    3    1                                                 
CONECT    3    2    2                                                 
CONECT    4    2    2                                                 
CONECT    5   10    6    6    2                                       
CONECT    6    5    5    7   28                                       
CONECT    7    8    8    6   29                                       
CONECT    8    9   11    7    7                                       
CONECT    9   10   10    8   30                                       
CONECT   10    9    9    5   31                                       
CONECT   11   12   16   16    8                                       
CONECT   12   13   11   32                                            
CONECT   13   14   12   33   34                                       
CONECT   14   15   13   35   36                                       
CONECT   15   18   17   17   14                                       
CONECT   16   11   11                                                 
CONECT   17   15   15                                                 
CONECT   18   19   19   15                                            
CONECT   19   20   18   18   37                                       
CONECT   20   21   19   38   39                                       
CONECT   21   23   23   20   24                                       
CONECT   22   25   25   24   40                                       
CONECT   23   25   21   21   41                                       
CONECT   24   22   21   42                                            
CONECT   25   23   22   22                                            
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
CONECT   40   22                                                      
CONECT   41   23                                                      
CONECT   42   24                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
