COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.105  -2.593  -0.726  1.00  0.00           C  
HETATM    2  C   UNL     1       1.521   2.825  -0.245  1.00  0.00           C  
HETATM    3  C   UNL     1       1.788   3.969  -1.190  1.00  0.00           C  
HETATM    4  O   UNL     1      -0.429  -3.730  -0.973  1.00  0.00           O  
HETATM    5  C   UNL     1      -0.139  -2.091   0.694  1.00  0.00           C  
HETATM    6  C   UNL     1       1.236  -1.531   1.070  1.00  0.00           C  
HETATM    7  C   UNL     1       1.558  -0.339   0.163  1.00  0.00           C  
HETATM    8  O   UNL     1       2.827   0.244   0.560  1.00  0.00           O  
HETATM    9  C   UNL     1       0.447   0.707   0.299  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.897   0.060  -0.047  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.019   1.083   0.144  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.371   0.403  -0.081  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.494   1.426   0.111  1.00  0.00           C  
HETATM   14  O   UNL     1       2.040   2.810   0.851  1.00  0.00           O  
HETATM   15  N   UNL     1       0.706   1.819  -0.619  1.00  0.00           N  
HETATM   16  C   UNL     1       3.931  -0.241  -0.029  1.00  0.00           C  
HETATM   17  O   UNL     1       3.840  -1.123  -0.850  1.00  0.00           O  
HETATM   18  C   UNL     1       5.285   0.315   0.332  1.00  0.00           C  
HETATM   19  O   UNL     1       0.289  -1.777  -1.717  1.00  0.00           O  
HETATM   20  O   UNL     1      -1.121  -1.059   0.812  1.00  0.00           O  
HETATM   21  O   UNL     1      -1.964   1.607   1.472  1.00  0.00           O  
HETATM   22  O   UNL     1      -3.426  -0.121  -1.409  1.00  0.00           O  
HETATM   23  O   UNL     1      -5.759   0.767   0.016  1.00  0.00           O  
HETATM   24  H   UNL     1       1.048   4.752  -1.030  1.00  0.00           H  
HETATM   25  H   UNL     1       2.785   4.368  -1.005  1.00  0.00           H  
HETATM   26  H   UNL     1       1.725   3.613  -2.218  1.00  0.00           H  
HETATM   27  H   UNL     1       1.224  -1.205   2.110  1.00  0.00           H  
HETATM   28  H   UNL     1       1.992  -2.304   0.939  1.00  0.00           H  
HETATM   29  H   UNL     1       1.619  -0.674  -0.872  1.00  0.00           H  
HETATM   30  H   UNL     1       0.420   1.078   1.324  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.883  -0.274  -1.084  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.897   1.895  -0.572  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.494  -0.409   0.636  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.398   1.890   1.092  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.423   2.191  -0.662  1.00  0.00           H  
HETATM   36  H   UNL     1       0.292   1.831  -1.496  1.00  0.00           H  
HETATM   37  H   UNL     1       5.701  -0.253   1.164  1.00  0.00           H  
HETATM   38  H   UNL     1       5.950   0.239  -0.528  1.00  0.00           H  
HETATM   39  H   UNL     1       5.182   1.361   0.621  1.00  0.00           H  
HETATM   40  H   UNL     1       0.298  -2.145  -2.611  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.066   0.939   2.164  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.324   0.547  -2.100  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.517   1.356   0.127  1.00  0.00           H  
HETATM   44  O   UNL     1      -0.471  -3.168   1.572  1.00  0.00           O  
HETATM   45  H   UNL     1      -1.331  -3.572   1.392  1.00  0.00           H  
CONECT    1    5    4    4   19                                       
CONECT    2    3   14   14   15                                       
CONECT    3    2   24   25   26                                       
CONECT    4    1    1                                                 
CONECT    5   20    6    1   44                                       
CONECT    6    7    5   27   28                                       
CONECT    7    9    8    6   29                                       
CONECT    8   16    7                                                 
CONECT    9   15    7   10   30                                       
CONECT   10    9   11   20   31                                       
CONECT   11   21   10   12   32                                       
CONECT   12   11   13   22   33                                       
CONECT   13   12   23   34   35                                       
CONECT   14    2    2                                                 
CONECT   15    2    9   36                                            
CONECT   16   18    8   17   17                                       
CONECT   17   16   16                                                 
CONECT   18   16   37   38   39                                       
CONECT   19    1   40                                                 
CONECT   20   10    5                                                 
CONECT   21   11   41                                                 
CONECT   22   12   42                                                 
CONECT   23   13   43                                                 
CONECT   24    3                                                      
CONECT   25    3                                                      
CONECT   26    3                                                      
CONECT   27    6                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   15                                                      
CONECT   37   18                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44    5   45                                                 
CONECT   45   44                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
