COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.240   2.575  -0.011  1.00  0.00           C  
HETATM    2  O   UNL     1       6.514   1.172   0.001  1.00  0.00           O  
HETATM    3  C   UNL     1       5.443   0.334   0.007  1.00  0.00           C  
HETATM    4  C   UNL     1       4.163   0.850   0.002  1.00  0.00           C  
HETATM    5  C   UNL     1       5.639  -1.047   0.014  1.00  0.00           C  
HETATM    6  O   UNL     1       6.899  -1.552   0.014  1.00  0.00           O  
HETATM    7  C   UNL     1       4.549  -1.907   0.020  1.00  0.00           C  
HETATM    8  C   UNL     1       3.267  -1.400   0.020  1.00  0.00           C  
HETATM    9  C   UNL     1       3.062  -0.016   0.008  1.00  0.00           C  
HETATM   10  C   UNL     1       1.697   0.527   0.002  1.00  0.00           C  
HETATM   11  C   UNL     1       0.637  -0.311   0.008  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.680   0.213   0.002  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.856   1.417  -0.009  1.00  0.00           O  
HETATM   14  O   UNL     1      -1.739  -0.623   0.008  1.00  0.00           O  
HETATM   15  C   UNL     1      -3.038  -0.026   0.001  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.103  -1.124   0.009  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.473  -0.495   0.002  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.100  -0.191   1.196  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.356   0.387   1.190  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.985   0.660  -0.011  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.357   0.356  -1.204  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.099  -0.217  -1.198  1.00  0.00           C  
HETATM   23  H   UNL     1       5.667   2.825  -0.904  1.00  0.00           H  
HETATM   24  H   UNL     1       5.665   2.841   0.876  1.00  0.00           H  
HETATM   25  H   UNL     1       7.179   3.128  -0.015  1.00  0.00           H  
HETATM   26  H   UNL     1       4.010   1.919  -0.007  1.00  0.00           H  
HETATM   27  H   UNL     1       7.263  -1.703  -0.869  1.00  0.00           H  
HETATM   28  H   UNL     1       4.705  -2.975   0.025  1.00  0.00           H  
HETATM   29  H   UNL     1       2.421  -2.072   0.024  1.00  0.00           H  
HETATM   30  H   UNL     1       1.541   1.596  -0.008  1.00  0.00           H  
HETATM   31  H   UNL     1       0.793  -1.379   0.017  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.154   0.600   0.885  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.152   0.584  -0.895  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.987  -1.751  -0.875  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.989  -1.735   0.905  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.608  -0.404   2.134  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.846   0.624   2.122  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.966   1.111  -0.016  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.849   0.570  -2.142  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.608  -0.450  -2.131  1.00  0.00           H  
CONECT    1    2   23   24   25                                       
CONECT    2    1    3                                                 
CONECT    3    5    2    4    4                                       
CONECT    4    3    3    9   26                                       
CONECT    5    6    7    7    3                                       
CONECT    6    5   27                                                 
CONECT    7    5    5    8   28                                       
CONECT    8    7    9    9   29                                       
CONECT    9    8    8    4   10                                       
CONECT   10    9   11   11   30                                       
CONECT   11   10   10   12   31                                       
CONECT   12   11   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15                                                 
CONECT   15   14   16   32   33                                       
CONECT   16   15   17   34   35                                       
CONECT   17   16   22   22   18                                       
CONECT   18   17   19   19   36                                       
CONECT   19   18   18   20   37                                       
CONECT   20   21   21   19   38                                       
CONECT   21   22   20   20   39                                       
CONECT   22   17   17   21   40                                       
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    4                                                      
CONECT   27    6                                                      
CONECT   28    7                                                      
CONECT   29    8                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   15                                                      
CONECT   33   15                                                      
CONECT   34   16                                                      
CONECT   35   16                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
