COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      82.091  41.640  18.322  1.00  0.00           O  
HETATM    2  C   UNL     1      82.499  40.506  18.498  1.00  0.00           C  
HETATM    3  N   UNL     1      82.603  39.921  19.703  1.00  0.00           N  
HETATM    4  C   UNL     1      82.326  40.544  20.962  1.00  0.00           C  
HETATM    5  C   UNL     1      81.818  41.847  21.085  1.00  0.00           C  
HETATM    6  N   UNL     1      81.576  42.437  22.270  1.00  0.00           N  
HETATM    7  C   UNL     1      81.848  41.739  23.382  1.00  0.00           C  
HETATM    8  C   UNL     1      82.359  40.448  23.377  1.00  0.00           C  
HETATM    9  C   UNL     1      82.610  39.831  22.158  1.00  0.00           C  
HETATM   10  C   UNL     1      83.162  38.433  22.133  1.00  0.00           C  
HETATM   11  O   UNL     1      83.866  38.053  21.210  1.00  0.00           O  
HETATM   12  O   UNL     1      82.827  37.667  23.164  1.00  0.00           O  
HETATM   13  C   UNL     1      82.950  39.670  17.316  1.00  0.00           C  
HETATM   14  C   UNL     1      84.108  40.374  16.612  1.00  0.00           C  
HETATM   15  C   UNL     1      84.695  39.527  15.485  1.00  0.00           C  
HETATM   16  C   UNL     1      85.821  40.280  14.812  1.00  0.00           C  
HETATM   17  C   UNL     1      87.143  40.037  15.176  1.00  0.00           C  
HETATM   18  C   UNL     1      88.180  40.731  14.555  1.00  0.00           C  
HETATM   19  C   UNL     1      87.899  41.673  13.571  1.00  0.00           C  
HETATM   20  C   UNL     1      86.579  41.917  13.205  1.00  0.00           C  
HETATM   21  C   UNL     1      85.540  41.222  13.824  1.00  0.00           C  
HETATM   22  O   UNL     1      80.400  44.372  22.368  1.00  0.00           O  
HETATM   23  H   UNL     1      82.900  38.966  19.722  1.00  0.00           H  
HETATM   24  H   UNL     1      83.281  38.682  17.670  1.00  0.00           H  
HETATM   25  H   UNL     1      82.113  39.546  16.613  1.00  0.00           H  
HETATM   26  H   UNL     1      81.611  42.404  20.183  1.00  0.00           H  
HETATM   27  H   UNL     1      81.659  42.208  24.336  1.00  0.00           H  
HETATM   28  H   UNL     1      82.558  39.932  24.305  1.00  0.00           H  
HETATM   29  H   UNL     1      83.216  36.807  23.060  1.00  0.00           H  
HETATM   30  H   UNL     1      83.743  41.322  16.190  1.00  0.00           H  
HETATM   31  H   UNL     1      84.898  40.581  17.349  1.00  0.00           H  
HETATM   32  H   UNL     1      85.082  38.585  15.900  1.00  0.00           H  
HETATM   33  H   UNL     1      83.910  39.307  14.746  1.00  0.00           H  
HETATM   34  H   UNL     1      87.365  39.309  15.942  1.00  0.00           H  
HETATM   35  H   UNL     1      84.517  41.414  13.537  1.00  0.00           H  
HETATM   36  H   UNL     1      89.204  40.537  14.838  1.00  0.00           H  
HETATM   37  H   UNL     1      88.703  42.213  13.093  1.00  0.00           H  
HETATM   38  H   UNL     1      86.358  42.646  12.440  1.00  0.00           H  
HETATM   39  H   UNL     1      80.321  44.650  23.273  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   13                                       
CONECT    3    2    4   23                                            
CONECT    4    3    5    9    9                                       
CONECT    5    4    6    6   26                                       
CONECT    6    5    5    7   22                                       
CONECT    7    6    8    8   27                                       
CONECT    8    7    7    9   28                                       
CONECT    9    4    4    8   10                                       
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   29                                                 
CONECT   13    2   14   24   25                                       
CONECT   14   13   15   30   31                                       
CONECT   15   14   16   32   33                                       
CONECT   16   15   17   21   21                                       
CONECT   17   16   18   18   34                                       
CONECT   18   17   17   19   36                                       
CONECT   19   18   20   20   37                                       
CONECT   20   19   19   21   38                                       
CONECT   21   16   16   20   35                                       
CONECT   22    6   39                                                 
CONECT   23    3                                                      
CONECT   24   13                                                      
CONECT   25   13                                                      
CONECT   26    5                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29   12                                                      
CONECT   30   14                                                      
CONECT   31   14                                                      
CONECT   32   15                                                      
CONECT   33   15                                                      
CONECT   34   17                                                      
CONECT   35   21                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   22                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
