COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      21.431 -40.526   0.720  1.00  0.00           O  
HETATM    2  C   UNL     1      20.612 -39.592   0.816  1.00  0.00           C  
HETATM    3  C   UNL     1      20.061 -38.848  -0.214  1.00  0.00           C  
HETATM    4  C   UNL     1      20.231 -38.935  -1.628  1.00  0.00           C  
HETATM    5  C   UNL     1      21.064 -39.820  -2.345  1.00  0.00           C  
HETATM    6  C   UNL     1      21.120 -39.762  -3.756  1.00  0.00           C  
HETATM    7  C   UNL     1      20.335 -38.834  -4.470  1.00  0.00           C  
HETATM    8  C   UNL     1      19.504 -38.047  -2.409  1.00  0.00           C  
HETATM    9  N   UNL     1      19.551 -37.958  -3.803  1.00  0.00           N1+
HETATM   10  C   UNL     1      18.649 -37.145  -1.784  1.00  0.00           C  
HETATM   11  N   UNL     1      17.939 -36.271  -2.545  1.00  0.00           N  
HETATM   12 OS   UNL     1      18.233 -36.554  -4.619  1.00  0.00          Os  
HETATM   13  C   UNL     1      16.057 -36.612  -4.980  1.00  0.00           C  
HETATM   14  C   UNL     1      16.639 -37.866  -5.401  1.00  0.00           C  
HETATM   15  C   UNL     1      17.577 -37.591  -6.456  1.00  0.00           C  
HETATM   16  C   UNL     1      17.573 -36.175  -6.677  1.00  0.00           C  
HETATM   17  C   UNL     1      16.641 -35.570  -5.768  1.00  0.00           C  
HETATM   18  C   UNL     1      19.500 -35.179  -4.711  1.00  0.00           C  
HETATM   19  O   UNL     1      20.260 -34.371  -4.788  1.00  0.00           O1+
HETATM   20  N   UNL     1      20.115 -39.153   2.031  1.00  0.00           N  
HETATM   21  C   UNL     1      19.232 -38.135   1.781  1.00  0.00           C  
HETATM   22  O   UNL     1      18.639 -37.550   2.679  1.00  0.00           O  
HETATM   23  C   UNL     1      19.172 -37.914   0.402  1.00  0.00           C  
HETATM   24  C   UNL     1      18.446 -37.006  -0.417  1.00  0.00           C  
HETATM   25  C   UNL     1      17.527 -35.968  -0.291  1.00  0.00           C  
HETATM   26  C   UNL     1      17.214 -35.545  -1.610  1.00  0.00           C  
HETATM   27  C   UNL     1      16.282 -34.531  -1.835  1.00  0.00           C  
HETATM   28  C   UNL     1      15.704 -33.894  -0.738  1.00  0.00           C  
HETATM   29  C   UNL     1      15.988 -34.299   0.589  1.00  0.00           C  
HETATM   30  O   UNL     1      15.362 -33.685   1.644  1.00  0.00           O  
HETATM   31  C   UNL     1      16.897 -35.365   0.812  1.00  0.00           C  
HETATM   32  H   UNL     1      21.662 -40.545  -1.813  1.00  0.00           H  
HETATM   33  H   UNL     1      21.771 -40.436  -4.293  1.00  0.00           H  
HETATM   34  H   UNL     1      20.360 -38.823  -5.550  1.00  0.00           H  
HETATM   35  H   UNL     1      16.576 -34.494  -5.549  1.00  0.00           H  
HETATM   36  H   UNL     1      20.357 -39.514   2.931  1.00  0.00           H  
HETATM   37  H   UNL     1      16.013 -34.245  -2.841  1.00  0.00           H  
HETATM   38  H   UNL     1      15.023 -33.072  -0.904  1.00  0.00           H  
HETATM   39  H   UNL     1      15.661 -34.071   2.459  1.00  0.00           H  
HETATM   40  H   UNL     1      17.102 -35.709   1.815  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1   20                                       
CONECT    3    4    4   23    2                                       
CONECT    4    8    5    3    3                                       
CONECT    5    6    6    4   32                                       
CONECT    6    7    5    5   33                                       
CONECT    7    9    9    6   34                                       
CONECT    8    9   10   10    4                                       
CONECT    9   12    7    7    8                                       
CONECT   10   11    8    8   24                                       
CONECT   11   12   10   26                                            
CONECT   12   16   15   17   14                                       
CONECT   12   13   18    9   11                                       
CONECT   13   17   14   14   12                                       
CONECT   14   15   13   13   12                                       
CONECT   15   16   16   14   12                                       
CONECT   16   15   15   17   12                                       
CONECT   17   16   13   12   35                                       
CONECT   18   19   19   19   12                                       
CONECT   19   18   18   18                                            
CONECT   20    2   21   36                                            
CONECT   21   23   20   22   22                                       
CONECT   22   21   21                                                 
CONECT   23   24   24    3   21                                       
CONECT   24   10   25   23   23                                       
CONECT   25   26   24   31   31                                       
CONECT   26   11   27   27   25                                       
CONECT   27   26   26   28   37                                       
CONECT   28   27   29   29   38                                       
CONECT   29   28   28   31   30                                       
CONECT   30   29   39                                                 
CONECT   31   25   25   29   40                                       
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35   17                                                      
CONECT   36   20                                                      
CONECT   37   27                                                      
CONECT   38   28                                                      
CONECT   39   30                                                      
CONECT   40   31                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
