COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       1.465  -2.598   0.076  1.00  0.00           S  
HETATM    2  O   UNL     1      -1.219   1.726  -0.331  1.00  0.00           O  
HETATM    3  O   UNL     1       3.703  -0.650   0.165  1.00  0.00           O  
HETATM    4  O   UNL     1       0.141  -3.101  -0.039  1.00  0.00           O  
HETATM    5  O   UNL     1       2.312  -2.885   1.180  1.00  0.00           O  
HETATM    6  N   UNL     1       2.276  -3.098  -1.278  1.00  0.00           N  
HETATM    7  N   UNL     1      -3.975  -0.190   0.966  1.00  0.00           N  
HETATM    8  N   UNL     1      -3.973  -0.335  -1.342  1.00  0.00           N  
HETATM    9  N   UNL     1      -2.355   1.058   2.141  1.00  0.00           N  
HETATM   10  N   UNL     1      -5.619  -1.451  -0.115  1.00  0.00           N  
HETATM   11  C   UNL     1       1.037   3.420  -0.221  1.00  0.00           C  
HETATM   12  C   UNL     1       1.145   1.919  -0.146  1.00  0.00           C  
HETATM   13  C   UNL     1       0.000   1.138  -0.206  1.00  0.00           C  
HETATM   14  C   UNL     1       2.384   1.321  -0.024  1.00  0.00           C  
HETATM   15  C   UNL     1       1.338  -0.842  -0.010  1.00  0.00           C  
HETATM   16  C   UNL     1       1.622   4.038   1.051  1.00  0.00           C  
HETATM   17  C   UNL     1       1.814   3.927  -1.438  1.00  0.00           C  
HETATM   18  C   UNL     1       2.483  -0.061   0.045  1.00  0.00           C  
HETATM   19  C   UNL     1       0.100  -0.244  -0.138  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.322   0.930  -0.275  1.00  0.00           C  
HETATM   21  C   UNL     1       4.839   0.216   0.215  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.899   0.590   0.954  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.900   0.437  -1.433  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.496  -0.640  -0.165  1.00  0.00           C  
HETATM   25  H   UNL     1       2.578  -2.447  -1.931  1.00  0.00           H  
HETATM   26  H   UNL     1       2.449  -4.042  -1.419  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.761   0.818   2.989  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.569   1.627   2.124  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.012  -1.682   0.741  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.011  -1.787  -0.936  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.011   3.705  -0.314  1.00  0.00           H  
HETATM   32  H   UNL     1       3.275   1.929   0.018  1.00  0.00           H  
HETATM   33  H   UNL     1       2.670   3.753   1.144  1.00  0.00           H  
HETATM   34  H   UNL     1       1.544   5.124   0.997  1.00  0.00           H  
HETATM   35  H   UNL     1       1.069   3.677   1.918  1.00  0.00           H  
HETATM   36  H   UNL     1       2.862   3.643  -1.344  1.00  0.00           H  
HETATM   37  H   UNL     1       1.397   3.487  -2.344  1.00  0.00           H  
HETATM   38  H   UNL     1       1.735   5.013  -1.492  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.791  -0.853  -0.184  1.00  0.00           H  
HETATM   40  H   UNL     1       4.887   0.805  -0.701  1.00  0.00           H  
HETATM   41  H   UNL     1       4.750   0.883   1.072  1.00  0.00           H  
HETATM   42  H   UNL     1       5.746  -0.381   0.312  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.480   0.679  -2.399  1.00  0.00           H  
CONECT    1   15    6    5    5                                       
CONECT    1    4    4                                                 
CONECT    2   20   13                                                 
CONECT    3   18   21                                                 
CONECT    4    1    1                                                 
CONECT    5    1    1                                                 
CONECT    6    1   25   26                                            
CONECT    7   24   24   22                                            
CONECT    8   24   23   23                                            
CONECT    9   22   27   28                                            
CONECT   10   24   29   30                                            
CONECT   11   16   12   17   31                                       
CONECT   12   13   11   14   14                                       
CONECT   13    2   19   19   12                                       
CONECT   14   12   12   18   32                                       
CONECT   15   19   18   18    1                                       
CONECT   16   11   33   34   35                                       
CONECT   17   11   36   37   38                                       
CONECT   18   15   15   14    3                                       
CONECT   19   13   13   15   39                                       
CONECT   20   22   22   23    2                                       
CONECT   21    3   40   41   42                                       
CONECT   22    7    9   20   20                                       
CONECT   23    8    8   20   43                                       
CONECT   24   10    7    7    8                                       
CONECT   25    6                                                      
CONECT   26    6                                                      
CONECT   27    9                                                      
CONECT   28    9                                                      
CONECT   29   10                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   14                                                      
CONECT   33   16                                                      
CONECT   34   16                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   19                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   23                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
