COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  V   UNL     1       5.506   1.059  -0.035  1.00  0.00           V  
HETATM    2  C   UNL     1      -3.037  -0.937  -1.031  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.308  -2.297  -0.359  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.916  -2.758   0.138  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.132  -1.423   0.191  1.00  0.00           C  
HETATM    6  C   UNL     1       0.372  -1.676   0.067  1.00  0.00           C  
HETATM    7  O   UNL     1       5.386   0.285  -1.700  1.00  0.00           O1-
HETATM    8  O   UNL     1      -4.206  -2.141   0.741  1.00  0.00           O  
HETATM    9  O   UNL     1       7.342   1.043  -0.161  1.00  0.00           O1-
HETATM   10  O   UNL     1      -2.008  -3.348   1.436  1.00  0.00           O  
HETATM   11  O   UNL     1       5.534   2.892   0.128  1.00  0.00           O  
HETATM   12  O   UNL     1      -1.622  -0.698  -0.957  1.00  0.00           O  
HETATM   13  O   UNL     1       5.600   0.001   1.467  1.00  0.00           O1-
HETATM   14  O   UNL     1       1.071  -0.431   0.131  1.00  0.00           O  
HETATM   15  O   UNL     1       3.528  -1.640   1.368  1.00  0.00           O1-
HETATM   16  O   UNL     1       3.326  -1.372  -1.618  1.00  0.00           O1-
HETATM   17  O   UNL     1       3.671   1.076   0.090  1.00  0.00           O  
HETATM   18  V   UNL     1       2.899  -0.592  -0.007  1.00  0.00           V  
HETATM   19  H   UNL     1      -3.354  -0.969  -2.074  1.00  0.00           H  
HETATM   20  H   UNL     1      -3.711  -3.006  -1.082  1.00  0.00           H  
HETATM   21  H   UNL     1      -1.460  -3.450  -0.570  1.00  0.00           H  
HETATM   22  H   UNL     1      -1.356  -0.882   1.111  1.00  0.00           H  
HETATM   23  H   UNL     1       0.701  -2.320   0.882  1.00  0.00           H  
HETATM   24  H   UNL     1       0.581  -2.161  -0.887  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.411  -2.967   1.201  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.565  -4.138   1.471  1.00  0.00           H  
HETATM   27  N   UNL     1      -3.763   0.121  -0.324  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.264   0.922   0.660  1.00  0.00           C  
HETATM   29  N   UNL     1      -4.180   1.752   1.065  1.00  0.00           N  
HETATM   30  C   UNL     1      -5.322   1.538   0.369  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.066   0.493  -0.535  1.00  0.00           C  
HETATM   32  N   UNL     1      -6.039   0.087  -1.345  1.00  0.00           N  
HETATM   33  C   UNL     1      -7.226   0.653  -1.305  1.00  0.00           C  
HETATM   34  N   UNL     1      -7.514   1.638  -0.473  1.00  0.00           N  
HETATM   35  C   UNL     1      -6.604   2.113   0.372  1.00  0.00           C  
HETATM   36  N   UNL     1      -6.914   3.149   1.236  1.00  0.00           N  
HETATM   37  H   UNL     1      -2.256   0.874   1.047  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.994   0.300  -1.977  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.242   3.486   1.849  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.802   3.538   1.229  1.00  0.00           H  
HETATM   41  H   UNL     1       6.421   3.276   0.102  1.00  0.00           H  
CONECT    1    9    7   13   11                                       
CONECT    1   17                                                      
CONECT    2   12    3   19   27                                       
CONECT    3    4    2    8   20                                       
CONECT    4    5   10    3   21                                       
CONECT    5    6   12    4   22                                       
CONECT    6   14    5   23   24                                       
CONECT    7    1                                                      
CONECT    8    3   25                                                 
CONECT    9    1                                                      
CONECT   10    4   26                                                 
CONECT   11    1   41                                                 
CONECT   12    5    2                                                 
CONECT   13    1                                                      
CONECT   14   18    6                                                 
CONECT   15   18                                                      
CONECT   16   18                                                      
CONECT   17    1   18                                                 
CONECT   18   17   15   16   14                                       
CONECT   19    2                                                      
CONECT   20    3                                                      
CONECT   21    4                                                      
CONECT   22    5                                                      
CONECT   23    6                                                      
CONECT   24    6                                                      
CONECT   25    8                                                      
CONECT   26   10                                                      
CONECT   27    2   28   31                                            
CONECT   28   27   29   29   37                                       
CONECT   29   28   28   30                                            
CONECT   30   29   31   31   35                                       
CONECT   31   30   30   27   32                                       
CONECT   32   31   33   33                                            
CONECT   33   32   32   34   38                                       
CONECT   34   33   35   35                                            
CONECT   35   30   34   34   36                                       
CONECT   36   35   39   40                                            
CONECT   37   28                                                      
CONECT   38   33                                                      
CONECT   39   36                                                      
CONECT   40   36                                                      
CONECT   41   11                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
