COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.670  -3.014   1.510  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.119  -2.164   2.505  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.266  -0.816   2.252  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.960  -0.310   0.987  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.512  -1.174  -0.015  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.364  -2.519   0.254  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.115   1.132   0.708  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.518   1.968   1.684  1.00  0.00           O  
HETATM    9  C   UNL     1      -3.777   3.365   1.384  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.879   1.565  -0.403  1.00  0.00           O  
HETATM   11  S   UNL     1      -2.123  -0.545  -1.614  1.00  0.00           S  
HETATM   12  N   UNL     1      -0.921   0.578  -1.426  1.00  0.00           N  
HETATM   13  C   UNL     1       0.272   0.210  -0.918  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.533  -1.627  -2.321  1.00  0.00           O  
HETATM   15  O   UNL     1      -3.270   0.183  -2.032  1.00  0.00           O  
HETATM   16  O   UNL     1       0.501  -0.963  -0.695  1.00  0.00           O  
HETATM   17  N   UNL     1       1.209   1.142  -0.656  1.00  0.00           N  
HETATM   18  C   UNL     1       2.475   0.755  -0.247  1.00  0.00           C  
HETATM   19  N   UNL     1       3.368   1.673   0.112  1.00  0.00           N  
HETATM   20  C   UNL     1       4.576   1.304   0.502  1.00  0.00           C  
HETATM   21  N   UNL     1       4.900   0.023   0.537  1.00  0.00           N  
HETATM   22  C   UNL     1       4.012  -0.899   0.179  1.00  0.00           C  
HETATM   23  N   UNL     1       2.797  -0.533  -0.209  1.00  0.00           N  
HETATM   24  C   UNL     1       0.890   2.564  -0.804  1.00  0.00           C  
HETATM   25  O   UNL     1       4.345  -2.210   0.215  1.00  0.00           O  
HETATM   26  C   UNL     1       5.697  -2.280   0.673  1.00  0.00           C  
HETATM   27  C   UNL     1       5.585   2.346   0.909  1.00  0.00           C  
HETATM   28  H   UNL     1      -2.556  -4.068   1.714  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.355  -2.557   3.483  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.616  -0.154   3.030  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.014  -3.187  -0.518  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.502   3.434   0.573  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.175   3.859   2.270  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.849   3.850   1.084  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.075   1.501  -1.682  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.166   2.676  -1.051  1.00  0.00           H  
HETATM   37  H   UNL     1       1.101   3.083   0.131  1.00  0.00           H  
HETATM   38  H   UNL     1       1.497   2.992  -1.602  1.00  0.00           H  
HETATM   39  H   UNL     1       6.342  -1.736  -0.017  1.00  0.00           H  
HETATM   40  H   UNL     1       5.768  -1.835   1.665  1.00  0.00           H  
HETATM   41  H   UNL     1       6.011  -3.323   0.718  1.00  0.00           H  
HETATM   42  H   UNL     1       5.497   2.540   1.979  1.00  0.00           H  
HETATM   43  H   UNL     1       6.590   1.986   0.687  1.00  0.00           H  
HETATM   44  H   UNL     1       5.399   3.267   0.357  1.00  0.00           H  
CONECT    1    2    2    6   28                                       
CONECT    2    1    1    3   29                                       
CONECT    3    2    4    4   30                                       
CONECT    4    3    3    5    7                                       
CONECT    5    4    6    6   11                                       
CONECT    6    1    5    5   31                                       
CONECT    7    4    8   10   10                                       
CONECT    8    7    9                                                 
CONECT    9    8   32   33   34                                       
CONECT   10    7    7                                                 
CONECT   11    5   12   14   14                                       
CONECT   11   15   15                                                 
CONECT   12   11   13   35                                            
CONECT   13   12   16   16   17                                       
CONECT   14   11   11                                                 
CONECT   15   11   11                                                 
CONECT   16   13   13                                                 
CONECT   17   13   18   24                                            
CONECT   18   17   19   19   23                                       
CONECT   19   18   18   20                                            
CONECT   20   19   21   21   27                                       
CONECT   21   20   20   22                                            
CONECT   22   21   23   23   25                                       
CONECT   23   18   22   22                                            
CONECT   24   17   36   37   38                                       
CONECT   25   22   26                                                 
CONECT   26   25   39   40   41                                       
CONECT   27   20   42   43   44                                       
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    6                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35   12                                                      
CONECT   36   24                                                      
CONECT   37   24                                                      
CONECT   38   24                                                      
CONECT   39   26                                                      
CONECT   40   26                                                      
CONECT   41   26                                                      
CONECT   42   27                                                      
CONECT   43   27                                                      
CONECT   44   27                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
