COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       8.749  -2.578  -0.852  1.00  0.00           O  
HETATM    2  C   UNL     1       8.120  -1.948   0.152  1.00  0.00           C  
HETATM    3  O   UNL     1       8.008  -2.487   1.228  1.00  0.00           O  
HETATM    4  C   UNL     1       7.552  -0.568  -0.062  1.00  0.00           C  
HETATM    5  O   UNL     1       7.049  -0.067   1.174  1.00  0.00           O  
HETATM    6  C   UNL     1       6.738   1.313   0.975  1.00  0.00           C  
HETATM    7  C   UNL     1       8.657   0.360  -0.573  1.00  0.00           C  
HETATM    8  O   UNL     1       6.508  -0.636  -1.031  1.00  0.00           O  
HETATM    9  C   UNL     1       6.162   0.708  -1.373  1.00  0.00           C  
HETATM   10  C   UNL     1       5.669   1.434  -0.117  1.00  0.00           C  
HETATM   11  O   UNL     1       4.433   0.826   0.343  1.00  0.00           O  
HETATM   12  C   UNL     1       3.250   1.291  -0.099  1.00  0.00           C  
HETATM   13  O   UNL     1       3.216   2.219  -0.883  1.00  0.00           O  
HETATM   14  N   UNL     1       2.102   0.728   0.328  1.00  0.00           N  
HETATM   15  C   UNL     1       0.814   1.234  -0.153  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.320   0.425   0.481  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.608   0.931   0.000  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.755   0.368   0.427  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.721  -0.560   1.211  1.00  0.00           O  
HETATM   20  O   UNL     1      -3.939   0.832  -0.015  1.00  0.00           O  
HETATM   21  C   UNL     1      -5.175   0.225   0.445  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.290   1.276   0.456  1.00  0.00           C  
HETATM   23  O   UNL     1      -7.528   0.640   0.783  1.00  0.00           O  
HETATM   24  C   UNL     1      -5.574  -0.909  -0.505  1.00  0.00           C  
HETATM   25  O   UNL     1      -6.855  -1.412  -0.120  1.00  0.00           O  
HETATM   26  C   UNL     1      -7.781  -0.332  -0.229  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.639   0.320  -1.606  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.183  -0.863  -0.071  1.00  0.00           C  
HETATM   29  O   UNL     1      -9.681  -1.721  -0.975  1.00  0.00           O  
HETATM   30  O   UNL     1      -9.857  -0.517   0.870  1.00  0.00           O  
HETATM   31  H   UNL     1       9.113  -3.463  -0.714  1.00  0.00           H  
HETATM   32  H   UNL     1       6.360   1.740   1.904  1.00  0.00           H  
HETATM   33  H   UNL     1       7.636   1.848   0.666  1.00  0.00           H  
HETATM   34  H   UNL     1       9.460   0.407   0.162  1.00  0.00           H  
HETATM   35  H   UNL     1       9.048  -0.024  -1.515  1.00  0.00           H  
HETATM   36  H   UNL     1       8.249   1.358  -0.729  1.00  0.00           H  
HETATM   37  H   UNL     1       5.372   0.701  -2.123  1.00  0.00           H  
HETATM   38  H   UNL     1       7.039   1.220  -1.770  1.00  0.00           H  
HETATM   39  H   UNL     1       5.499   2.486  -0.346  1.00  0.00           H  
HETATM   40  H   UNL     1       2.129  -0.013   0.954  1.00  0.00           H  
HETATM   41  H   UNL     1       0.710   2.283   0.123  1.00  0.00           H  
HETATM   42  H   UNL     1       0.768   1.136  -1.237  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.216  -0.624   0.205  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.273   0.523   1.565  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.635   1.672  -0.626  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.035  -0.170   1.451  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.064   2.039   1.201  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.366   1.738  -0.528  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.623  -0.529  -1.526  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.836  -1.709  -0.448  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.626   0.705  -1.723  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.839  -0.420  -2.381  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.351   1.140  -1.694  1.00  0.00           H  
HETATM   54  H   UNL     1     -10.581  -2.062  -0.874  1.00  0.00           H  
CONECT    1    2   31                                                 
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5    7    8                                       
CONECT    5    4    6                                                 
CONECT    6    5   10   32   33                                       
CONECT    7    4   34   35   36                                       
CONECT    8    4    9                                                 
CONECT    9    8   10   37   38                                       
CONECT   10    6    9   11   39                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   40                                            
CONECT   15   14   16   41   42                                       
CONECT   16   15   17   43   44                                       
CONECT   17   16   18   45                                            
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21                                                 
CONECT   21   20   22   24   46                                       
CONECT   22   21   23   47   48                                       
CONECT   23   22   26                                                 
CONECT   24   21   25   49   50                                       
CONECT   25   24   26                                                 
CONECT   26   23   25   27   28                                       
CONECT   27   26   51   52   53                                       
CONECT   28   26   29   30   30                                       
CONECT   29   28   54                                                 
CONECT   30   28   28                                                 
CONECT   31    1                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   27                                                      
CONECT   52   27                                                      
CONECT   53   27                                                      
CONECT   54   29                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
