COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.624  -3.089   0.445  1.00  0.00           C  
HETATM    2  N   UNL     1       4.327   0.130  -1.061  1.00  0.00           N  
HETATM    3  O   UNL     1       3.906  -2.378  -0.822  1.00  0.00           O  
HETATM    4  S   UNL     1       3.750   2.971  -0.351  1.00  0.00           S  
HETATM    5  C   UNL     1      -0.299  -4.125   0.539  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.332   0.850   1.894  1.00  0.00           N  
HETATM    7  O   UNL     1       3.170   3.525  -1.524  1.00  0.00           O  
HETATM    8  S   UNL     1      -5.609   0.762  -0.799  1.00  0.00           S  
HETATM    9  C   UNL     1      -0.050  -5.328  -0.098  1.00  0.00           C  
HETATM   10  N   UNL     1      -6.023   2.333  -1.120  1.00  0.00           N  
HETATM   11  O   UNL     1       5.104   2.545  -0.280  1.00  0.00           O  
HETATM   12  C   UNL     1       1.110  -5.508  -0.828  1.00  0.00           C  
HETATM   13  O   UNL     1       3.568   4.006   0.749  1.00  0.00           O  
HETATM   14  C   UNL     1       2.040  -4.488  -0.932  1.00  0.00           C  
HETATM   15  C   UNL     1       1.805  -3.272  -0.298  1.00  0.00           C  
HETATM   16  O   UNL     1      -6.543   0.289   0.162  1.00  0.00           O  
HETATM   17  C   UNL     1       2.784  -2.168  -0.401  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.504  -1.694   1.951  1.00  0.00           O  
HETATM   19  C   UNL     1       2.385  -0.813   0.014  1.00  0.00           C  
HETATM   20  O   UNL     1      -5.407   0.135  -2.059  1.00  0.00           O  
HETATM   21  C   UNL     1       3.164   0.296  -0.326  1.00  0.00           C  
HETATM   22  C   UNL     1       2.766   1.574   0.079  1.00  0.00           C  
HETATM   23  C   UNL     1       1.624   1.750   0.803  1.00  0.00           C  
HETATM   24  C   UNL     1       0.826   0.657   1.156  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.576   0.829   1.259  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.742   0.893   2.011  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.970   0.872   1.380  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.040   0.788   0.002  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.881   0.724  -0.750  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.649   0.751  -0.126  1.00  0.00           C  
HETATM   31  C   UNL     1       1.201  -0.631   0.762  1.00  0.00           C  
HETATM   32  C   UNL     1       0.374  -1.794   1.115  1.00  0.00           C  
HETATM   33  H   UNL     1       4.681   0.867  -1.583  1.00  0.00           H  
HETATM   34  H   UNL     1       4.788  -0.724  -1.054  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.207  -3.991   1.108  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.278   0.999   2.851  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.768  -6.132  -0.025  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.425   3.053  -0.864  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.862   2.533  -1.563  1.00  0.00           H  
HETATM   40  H   UNL     1       1.293  -6.452  -1.320  1.00  0.00           H  
HETATM   41  H   UNL     1       2.944  -4.635  -1.504  1.00  0.00           H  
HETATM   42  H   UNL     1       1.333   2.745   1.108  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.688   0.958   3.088  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.878   0.922   1.964  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.939   0.658  -1.826  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.744   0.706  -0.714  1.00  0.00           H  
HETATM   47  H   UNL     1       4.070   4.821   0.610  1.00  0.00           H  
CONECT    1    5    5   15   32                                       
CONECT    2   21   33   34                                            
CONECT    3   17   17                                                 
CONECT    4    7    7   11   11                                       
CONECT    4   13   22                                                 
CONECT    5    1    1    9   35                                       
CONECT    6   24   25   36                                            
CONECT    7    4    4                                                 
CONECT    8   10   16   16   20                                       
CONECT    8   20   28                                                 
CONECT    9    5   12   12   37                                       
CONECT   10    8   38   39                                            
CONECT   11    4    4                                                 
CONECT   12    9    9   14   40                                       
CONECT   13    4   47                                                 
CONECT   14   12   15   15   41                                       
CONECT   15    1   14   14   17                                       
CONECT   16    8    8                                                 
CONECT   17    3    3   15   19                                       
CONECT   18   32   32                                                 
CONECT   19   17   21   21   31                                       
CONECT   20    8    8                                                 
CONECT   21    2   19   19   22                                       
CONECT   22    4   21   23   23                                       
CONECT   23   22   22   24   42                                       
CONECT   24    6   23   31   31                                       
CONECT   25    6   26   26   30                                       
CONECT   26   25   25   27   43                                       
CONECT   27   26   28   28   44                                       
CONECT   28    8   27   27   29                                       
CONECT   29   28   30   30   45                                       
CONECT   30   25   29   29   46                                       
CONECT   31   19   24   24   32                                       
CONECT   32    1   18   18   31                                       
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   12                                                      
CONECT   41   14                                                      
CONECT   42   23                                                      
CONECT   43   26                                                      
CONECT   44   27                                                      
CONECT   45   29                                                      
CONECT   46   30                                                      
CONECT   47   13                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
