COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.309  -3.095  -0.569  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.841  -1.991  -0.387  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.620  -0.899  -0.517  1.00  0.00           N  
HETATM    4  C   UNL     1      -6.010  -1.019  -0.987  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.886  -0.232  -0.035  1.00  0.00           C  
HETATM    6  N   UNL     1      -7.976  -0.725   0.419  1.00  0.00           N  
HETATM    7  C   UNL     1      -6.433   1.156   0.363  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.994   1.072   0.884  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.103   0.435  -0.186  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.698   0.312   0.345  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.442  -0.511   1.199  1.00  0.00           O  
HETATM   12  N   UNL     1      -1.726   1.117  -0.128  1.00  0.00           N  
HETATM   13  N   UNL     1      -0.420   1.003   0.366  1.00  0.00           N  
HETATM   14  C   UNL     1       0.552   1.808  -0.107  1.00  0.00           C  
HETATM   15  O   UNL     1       0.296   2.631  -0.960  1.00  0.00           O  
HETATM   16  C   UNL     1       1.957   1.686   0.424  1.00  0.00           C  
HETATM   17  C   UNL     1       2.893   2.706  -0.263  1.00  0.00           C  
HETATM   18  C   UNL     1       4.214   1.949  -0.493  1.00  0.00           C  
HETATM   19  N   UNL     1       4.038   0.590   0.063  1.00  0.00           N  
HETATM   20  C   UNL     1       2.577   0.323   0.025  1.00  0.00           C  
HETATM   21  H   UNL     1      -2.801  -1.884  -0.116  1.00  0.00           H  
HETATM   22  H   UNL     1      -6.096  -0.608  -1.994  1.00  0.00           H  
HETATM   23  H   UNL     1      -6.311  -2.066  -0.988  1.00  0.00           H  
HETATM   24  H   UNL     1      -8.526  -0.208   1.029  1.00  0.00           H  
HETATM   25  H   UNL     1      -6.471   1.816  -0.503  1.00  0.00           H  
HETATM   26  H   UNL     1      -7.084   1.542   1.148  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.630   2.074   1.111  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.970   0.463   1.787  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.101   1.057  -1.081  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.931   1.776  -0.810  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.215   0.345   1.048  1.00  0.00           H  
HETATM   32  H   UNL     1       1.972   1.817   1.506  1.00  0.00           H  
HETATM   33  H   UNL     1       2.470   3.026  -1.215  1.00  0.00           H  
HETATM   34  H   UNL     1       3.057   3.566   0.386  1.00  0.00           H  
HETATM   35  H   UNL     1       4.426   1.889  -1.561  1.00  0.00           H  
HETATM   36  H   UNL     1       5.029   2.461   0.019  1.00  0.00           H  
HETATM   37  O   UNL     1       4.773  -0.399  -0.726  1.00  0.00           O  
HETATM   38  H   UNL     1       2.308  -0.448   0.746  1.00  0.00           H  
HETATM   39  H   UNL     1       2.265   0.038  -0.980  1.00  0.00           H  
HETATM   40  S   UNL     1       5.830  -1.158   0.063  1.00  0.00           S  
HETATM   41  O   UNL     1       6.570  -1.916  -0.885  1.00  0.00           O  
HETATM   42  O   UNL     1       6.428  -0.216   0.942  1.00  0.00           O  
HETATM   43  O   UNL     1       5.101  -2.164   0.942  1.00  0.00           O  
HETATM   44  H   UNL     1       5.686  -2.704   1.490  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1   21                                       
CONECT    3    4    9    2                                            
CONECT    4    3    5   22   23                                       
CONECT    5    4    6    6    7                                       
CONECT    6    5    5   24                                            
CONECT    7    5    8   25   26                                       
CONECT    8    9    7   27   28                                       
CONECT    9   10    3    8   29                                       
CONECT   10   11   11   12    9                                       
CONECT   11   10   10                                                 
CONECT   12   13   10   30                                            
CONECT   13   14   12   31                                            
CONECT   14   16   15   15   13                                       
CONECT   15   14   14                                                 
CONECT   16   20   17   14   32                                       
CONECT   17   16   18   33   34                                       
CONECT   18   19   17   35   36                                       
CONECT   19   20   18   37                                            
CONECT   20   16   19   38   39                                       
CONECT   21    2                                                      
CONECT   22    4                                                      
CONECT   23    4                                                      
CONECT   24    6                                                      
CONECT   25    7                                                      
CONECT   26    7                                                      
CONECT   27    8                                                      
CONECT   28    8                                                      
CONECT   29    9                                                      
CONECT   30   12                                                      
CONECT   31   13                                                      
CONECT   32   16                                                      
CONECT   33   17                                                      
CONECT   34   17                                                      
CONECT   35   18                                                      
CONECT   36   18                                                      
CONECT   37   19   40                                                 
CONECT   38   20                                                      
CONECT   39   20                                                      
CONECT   40   37   41   41   42                                       
CONECT   40   42   43                                                 
CONECT   41   40   40                                                 
CONECT   42   40   40                                                 
CONECT   43   40   44                                                 
CONECT   44   43                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
