COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.140   6.069  83.062  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.938   3.717  83.829  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.031   4.538  82.918  1.00  0.00           C  
HETATM    4  O   UNL     1       7.110   5.670  80.149  1.00  0.00           O  
HETATM    5  S   UNL     1       6.301   6.581  80.639  1.00  0.00           S  
HETATM    6  O   UNL     1       5.855   7.772  79.798  1.00  0.00           O  
HETATM    7  N   UNL     1       6.841   7.274  82.117  1.00  0.00           N  
HETATM    8  C   UNL     1       4.684   5.789  81.178  1.00  0.00           C  
HETATM    9  C   UNL     1       3.703   6.885  81.603  1.00  0.00           C  
HETATM   10  C   UNL     1       2.496   6.125  82.171  1.00  0.00           C  
HETATM   11  C   UNL     1       1.307   6.968  82.637  1.00  0.00           C  
HETATM   12  B   UNL     1       0.927   8.443  81.912  1.00  0.00           B  
HETATM   13  B   UNL     1       1.501   8.285  83.606  1.00  0.00           B  
HETATM   14  B   UNL     1       0.867   6.723  84.289  1.00  0.00           B  
HETATM   15  B   UNL     1      -0.817   8.515  82.031  1.00  0.00           B  
HETATM   16  B   UNL     1      -1.399   8.441  83.736  1.00  0.00           B  
HETATM   17  B   UNL     1       0.111   9.329  83.282  1.00  0.00           B  
HETATM   18  B   UNL     1      -0.917   6.831  84.368  1.00  0.00           B  
HETATM   19  B   UNL     1       0.114   8.297  84.705  1.00  0.00           B  
HETATM   20  B   UNL     1      -1.529   7.010  82.684  1.00  0.00           B  
HETATM   21  B   UNL     1      -0.084   6.961  81.572  1.00  0.00           B  
HETATM   22  C   UNL     1      -0.299   3.512  85.199  1.00  0.00           C  
HETATM   23  S   UNL     1      -1.303   2.403  86.230  1.00  0.00           S  
HETATM   24  O   UNL     1      -2.740   2.698  85.960  1.00  0.00           O  
HETATM   25  O   UNL     1      -0.827   2.622  87.599  1.00  0.00           O  
HETATM   26  N   UNL     1      -0.887   0.905  85.728  1.00  0.00           N  
HETATM   27  H   UNL     1      -1.895   4.245  83.954  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.119   2.736  83.366  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.275   4.279  81.877  1.00  0.00           H  
HETATM   30  H   UNL     1       1.010   4.253  83.132  1.00  0.00           H  
HETATM   31  H   UNL     1       6.178   7.955  82.428  1.00  0.00           H  
HETATM   32  H   UNL     1       6.931   6.557  82.808  1.00  0.00           H  
HETATM   33  H   UNL     1       4.257   5.218  80.340  1.00  0.00           H  
HETATM   34  H   UNL     1       4.870   5.113  82.026  1.00  0.00           H  
HETATM   35  H   UNL     1       4.152   7.531  82.372  1.00  0.00           H  
HETATM   36  H   UNL     1       3.405   7.496  80.738  1.00  0.00           H  
HETATM   37  H   UNL     1       2.134   5.443  81.388  1.00  0.00           H  
HETATM   38  H   UNL     1       2.847   5.540  83.034  1.00  0.00           H  
HETATM   39  H   UNL     1       0.701   3.073  85.067  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.208   4.486  85.702  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.400   0.224  86.250  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.099   0.808  84.756  1.00  0.00           H  
CONECT    1    3   14   18   20                                       
CONECT    1   21   11                                                 
CONECT    2    3   22   27   28                                       
CONECT    3    1    2   29   30                                       
CONECT    4    5    5                                                 
CONECT    5    4    4    6    6                                       
CONECT    5    7    8                                                 
CONECT    6    5    5                                                 
CONECT    7    5   31   32                                            
CONECT    8    5    9   33   34                                       
CONECT    9    8   10   35   36                                       
CONECT   10    9   11   37   38                                       
CONECT   11   10   12   13   14                                       
CONECT   11   21    1                                                 
CONECT   12   11   15   13   21                                       
CONECT   12   17                                                      
CONECT   13   11   17   19   14                                       
CONECT   13   12                                                      
CONECT   14    1   11   18   19                                       
CONECT   14   13                                                      
CONECT   15   12   17   20   21                                       
CONECT   15   16                                                      
CONECT   16   20   15   19   17                                       
CONECT   16   18                                                      
CONECT   17   13   15   19   16                                       
CONECT   17   12                                                      
CONECT   18    1   14   19   20                                       
CONECT   18   16                                                      
CONECT   19   13   14   17   16                                       
CONECT   19   18                                                      
CONECT   20    1   15   16   18                                       
CONECT   20   21                                                      
CONECT   21    1   15   12   11                                       
CONECT   21   20                                                      
CONECT   22    2   23   39   40                                       
CONECT   23   22   24   24   25                                       
CONECT   23   25   26                                                 
CONECT   24   23   23                                                 
CONECT   25   23   23                                                 
CONECT   26   23   41   42                                            
CONECT   27    2                                                      
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   22                                                      
CONECT   40   22                                                      
CONECT   41   26                                                      
CONECT   42   26                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
