COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.163   1.936  -1.062  1.00  0.00           C  
HETATM    2  C   UNL     1       4.343   0.741  -0.107  1.00  0.00           C  
HETATM    3  C   UNL     1       3.198   0.660   0.673  1.00  0.00           C  
HETATM    4  C   UNL     1       2.542  -0.547   0.811  1.00  0.00           C  
HETATM    5  C   UNL     1       1.298  -0.635   1.658  1.00  0.00           C  
HETATM    6  C   UNL     1       0.088  -0.362   0.803  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.177  -0.028   0.548  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.799  -0.979  -0.250  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.860  -0.623  -1.063  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.309   0.681  -1.087  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.690   1.647  -0.287  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.165   3.040  -0.309  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.618   1.284   0.533  1.00  0.00           C  
HETATM   14  C   UNL     1       3.024  -1.675   0.172  1.00  0.00           C  
HETATM   15  C   UNL     1       4.165  -1.597  -0.605  1.00  0.00           C  
HETATM   16  C   UNL     1       4.822  -0.391  -0.751  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.323  -2.381  -0.232  1.00  0.00           N1+
HETATM   18  O   UNL     1       4.991   1.928  -0.244  1.00  0.00           O  
HETATM   19  O   UNL     1      -1.139  -0.387   1.348  1.00  0.00           O  
HETATM   20  O   UNL     1      -2.867  -3.217  -0.931  1.00  0.00           O  
HETATM   21  O   UNL     1      -1.389  -2.697   0.482  1.00  0.00           O1-
HETATM   22  O   UNL     1       0.221  -0.120  -0.374  1.00  0.00           O  
HETATM   23  H   UNL     1       6.899   1.246  -0.650  1.00  0.00           H  
HETATM   24  H   UNL     1       5.902   1.626  -2.074  1.00  0.00           H  
HETATM   25  H   UNL     1       6.582   2.942  -1.087  1.00  0.00           H  
HETATM   26  H   UNL     1       2.821   1.541   1.172  1.00  0.00           H  
HETATM   27  H   UNL     1       1.222  -1.634   2.087  1.00  0.00           H  
HETATM   28  H   UNL     1       1.351   0.102   2.459  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.339  -1.368  -1.681  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.137   0.956  -1.724  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.994   3.318  -0.944  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.135   2.025   1.154  1.00  0.00           H  
HETATM   33  H   UNL     1       2.509  -2.618   0.281  1.00  0.00           H  
HETATM   34  H   UNL     1       4.539  -2.479  -1.103  1.00  0.00           H  
HETATM   35  H   UNL     1       5.713  -0.331  -1.358  1.00  0.00           H  
HETATM   36  O   UNL     1      -3.627   3.875   0.385  1.00  0.00           O  
CONECT    1   18   23   24   25                                       
CONECT    2   16   16    3   18                                       
CONECT    3    4    4    2   26                                       
CONECT    4   14    5    3    3                                       
CONECT    5    4    6   27   28                                       
CONECT    6    5   19   22   22                                       
CONECT    7   19    8    8   13                                       
CONECT    8   17    7    7    9                                       
CONECT    9    8   10   10   29                                       
CONECT   10    9    9   11   30                                       
CONECT   11   13   13   10   12                                       
CONECT   12   11   31   36   36                                       
CONECT   13    7   11   11   32                                       
CONECT   14   15   15    4   33                                       
CONECT   15   14   14   16   34                                       
CONECT   16   15    2    2   35                                       
CONECT   17   21   20   20    8                                       
CONECT   18    2    1                                                 
CONECT   19    6    7                                                 
CONECT   20   17   17                                                 
CONECT   21   17                                                      
CONECT   22    6    6                                                 
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    3                                                      
CONECT   27    5                                                      
CONECT   28    5                                                      
CONECT   29    9                                                      
CONECT   30   10                                                      
CONECT   31   12                                                      
CONECT   32   13                                                      
CONECT   33   14                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   12   12                                                 
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
