COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.162  -0.085  -3.124  1.00  0.00           C  
HETATM    2  O   UNL     1       1.503   0.378  -1.943  1.00  0.00           O  
HETATM    3  C   UNL     1       2.137   0.164  -0.759  1.00  0.00           C  
HETATM    4  C   UNL     1       3.366  -0.476  -0.734  1.00  0.00           C  
HETATM    5  C   UNL     1       4.008  -0.692   0.470  1.00  0.00           C  
HETATM    6  C   UNL     1       5.344  -1.390   0.495  1.00  0.00           C  
HETATM    7  O   UNL     1       6.389  -0.421   0.385  1.00  0.00           O  
HETATM    8  C   UNL     1       3.428  -0.270   1.653  1.00  0.00           C  
HETATM    9  C   UNL     1       2.204   0.370   1.636  1.00  0.00           C  
HETATM   10  C   UNL     1       1.556   0.594   0.431  1.00  0.00           C  
HETATM   11  O   UNL     1       0.354   1.228   0.412  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.761   0.472   0.317  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.666  -0.917   0.361  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.783  -1.691   0.268  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.056  -1.099   0.124  1.00  0.00           C  
HETATM   16  N   UNL     1      -4.149  -1.871   0.034  1.00  0.00           N1+
HETATM   17  O   UNL     1      -4.043  -3.084   0.075  1.00  0.00           O  
HETATM   18  O   UNL     1      -5.248  -1.360  -0.090  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.177   0.296   0.077  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.028   1.091   0.179  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.126   2.428   0.141  1.00  0.00           N1+
HETATM   22  O   UNL     1      -3.217   2.955   0.022  1.00  0.00           O  
HETATM   23  O   UNL     1      -1.123   3.115   0.226  1.00  0.00           O  
HETATM   24  H   UNL     1       3.130   0.407  -3.217  1.00  0.00           H  
HETATM   25  H   UNL     1       2.308  -1.163  -3.059  1.00  0.00           H  
HETATM   26  H   UNL     1       1.551   0.148  -3.996  1.00  0.00           H  
HETATM   27  H   UNL     1       3.821  -0.807  -1.656  1.00  0.00           H  
HETATM   28  H   UNL     1       5.452  -1.935   1.433  1.00  0.00           H  
HETATM   29  H   UNL     1       5.405  -2.087  -0.340  1.00  0.00           H  
HETATM   30  H   UNL     1       3.934  -0.442   2.592  1.00  0.00           H  
HETATM   31  H   UNL     1       7.279  -0.800   0.394  1.00  0.00           H  
HETATM   32  H   UNL     1       1.753   0.698   2.561  1.00  0.00           H  
HETATM   33  H   UNL     1       0.302  -1.383   0.470  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.693  -2.767   0.303  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.149   0.755  -0.033  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.237   3.922   0.000  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.859  -3.599   0.005  1.00  0.00           H  
CONECT    1    2   24   25   26                                       
CONECT    2    1    3                                                 
CONECT    3    2    4   10   10                                       
CONECT    4    3    5    5   27                                       
CONECT    5    4    4    6    8                                       
CONECT    6    5    7   28   29                                       
CONECT    7    6   31                                                 
CONECT    8    5    9    9   30                                       
CONECT    9    8    8   10   32                                       
CONECT   10    3    3    9   11                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   20   20                                       
CONECT   13   12   14   14   33                                       
CONECT   14   13   13   15   34                                       
CONECT   15   14   16   19   19                                       
CONECT   16   15   17   18   18                                       
CONECT   17   16   37                                                 
CONECT   18   16   16                                                 
CONECT   19   15   15   20   35                                       
CONECT   20   12   12   19   21                                       
CONECT   21   20   22   23   23                                       
CONECT   22   21   36                                                 
CONECT   23   21   21                                                 
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    4                                                      
CONECT   28    6                                                      
CONECT   29    6                                                      
CONECT   30    8                                                      
CONECT   31    7                                                      
CONECT   32    9                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   19                                                      
CONECT   36   22                                                      
CONECT   37   17                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
