COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.521   0.155  -0.100  1.00  0.00           O  
HETATM    2  C   UNL     1       0.453   0.859   0.059  1.00  0.00           C  
HETATM    3  O   UNL     1       0.307   2.178   0.275  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.994   2.801   0.213  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.382   3.046  -1.243  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.045   1.987   0.954  1.00  0.00           C  
HETATM    7  C   UNL     1       1.801   0.266   0.043  1.00  0.00           C  
HETATM    8  C   UNL     1       2.919   1.099  -0.152  1.00  0.00           C  
HETATM    9  O   UNL     1       2.755   2.433  -0.341  1.00  0.00           O  
HETATM   10  C   UNL     1       4.197   0.569  -0.149  1.00  0.00           C  
HETATM   11  C   UNL     1       4.388  -0.790   0.054  1.00  0.00           C  
HETATM   12  O   UNL     1       5.643  -1.305   0.061  1.00  0.00           O  
HETATM   13  C   UNL     1       3.297  -1.622   0.250  1.00  0.00           C  
HETATM   14  C   UNL     1       2.002  -1.119   0.242  1.00  0.00           C  
HETATM   15  C   UNL     1       0.869  -2.024   0.469  1.00  0.00           C  
HETATM   16  C   UNL     1       0.002  -2.225  -0.527  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.171  -3.147  -0.319  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.463  -2.416  -0.687  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.085  -1.814   0.573  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.129  -0.795   0.194  1.00  0.00           C  
HETATM   21  O   UNL     1      -4.988  -1.079  -0.607  1.00  0.00           O  
HETATM   22  C   UNL     1      -4.099   0.577   0.818  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.137   1.469   0.023  1.00  0.00           C  
HETATM   24  H   UNL     1      -0.918   3.786   0.707  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.412   2.096  -1.776  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.364   3.517  -1.283  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.646   3.701  -1.709  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.571   1.144   1.464  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.508   2.618   1.725  1.00  0.00           H  
HETATM   30  H   UNL     1       2.762   2.949   0.477  1.00  0.00           H  
HETATM   31  H   UNL     1       5.048   1.216  -0.305  1.00  0.00           H  
HETATM   32  H   UNL     1       6.059  -1.317   0.934  1.00  0.00           H  
HETATM   33  H   UNL     1       3.456  -2.680   0.411  1.00  0.00           H  
HETATM   34  H   UNL     1       0.720  -2.572   1.365  1.00  0.00           H  
HETATM   35  H   UNL     1       0.134  -1.734  -1.475  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.057  -4.027  -0.952  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.211  -3.454   0.726  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.241  -1.620  -1.398  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.163  -3.120  -1.137  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.550  -2.605   1.161  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.309  -1.331   1.166  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.096   1.014   0.792  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.752   0.505   1.847  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.711   2.302  -0.387  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.704   0.873  -0.779  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    7    3    1    1                                       
CONECT    3    2    4                                                 
CONECT    4    3    6    5   24                                       
CONECT    5    4   25   26   27                                       
CONECT    6   23    4   28   29                                       
CONECT    7   14   14    8    2                                       
CONECT    8   10   10    7    9                                       
CONECT    9    8   30                                                 
CONECT   10   11    8    8   31                                       
CONECT   11   12   13   13   10                                       
CONECT   12   11   32                                                 
CONECT   13   11   11   14   33                                       
CONECT   14   13   15    7    7                                       
CONECT   15   16   16   14   34                                       
CONECT   16   17   15   15   35                                       
CONECT   17   18   16   36   37                                       
CONECT   18   17   19   38   39                                       
CONECT   19   18   20   40   41                                       
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   42   43                                       
CONECT   23   22    6   44   45                                       
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    5                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    6                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
