COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.561   1.296   0.081  1.00  0.00           C  
HETATM    2  C   UNL     1       4.520  -0.172   0.110  1.00  0.00           C  
HETATM    3  C   UNL     1       3.238  -0.879  -0.036  1.00  0.00           C  
HETATM    4  C   UNL     1       2.068  -0.149  -0.201  1.00  0.00           C  
HETATM    5  C   UNL     1       2.123   1.326  -0.223  1.00  0.00           C  
HETATM    6  C   UNL     1       3.431   2.013  -0.079  1.00  0.00           C  
HETATM    7  N   UNL     1       2.901  -2.203  -0.049  1.00  0.00           N  
HETATM    8  C   UNL     1       1.561  -2.318  -0.216  1.00  0.00           C  
HETATM    9  C   UNL     1       1.017  -1.080  -0.313  1.00  0.00           C  
HETATM   10  O   UNL     1       1.105   1.973  -0.361  1.00  0.00           O  
HETATM   11  O   UNL     1       5.549  -0.805   0.254  1.00  0.00           O  
HETATM   12  C   UNL     1       3.839  -3.319   0.096  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.443  -0.759  -0.504  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.073  -0.628   0.771  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.380  -0.340   0.536  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.253  -0.154   1.598  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.581   0.139   1.356  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.041   0.246   0.057  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.173   0.061  -1.004  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.843  -0.226  -0.767  1.00  0.00           C  
HETATM   21  N   UNL     1      -6.465   0.559  -0.200  1.00  0.00           N1+
HETATM   22  O   UNL     1      -7.230   0.722   0.734  1.00  0.00           O1-
HETATM   23  O   UNL     1      -6.871   0.654  -1.344  1.00  0.00           O  
HETATM   24  C   UNL     1       0.797  -3.616  -0.282  1.00  0.00           C  
HETATM   25  O   UNL     1       3.488   3.365  -0.102  1.00  0.00           O  
HETATM   26  C   UNL     1       4.841   3.726   0.183  1.00  0.00           C  
HETATM   27  H   UNL     1       5.506   1.807   0.189  1.00  0.00           H  
HETATM   28  H   UNL     1       3.942  -3.572   1.151  1.00  0.00           H  
HETATM   29  H   UNL     1       3.461  -4.184  -0.450  1.00  0.00           H  
HETATM   30  H   UNL     1       4.810  -3.032  -0.306  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.540   0.176  -1.056  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.921  -1.563  -1.065  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.894  -0.239   2.614  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.261   0.283   2.183  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.535   0.146  -2.018  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.165  -0.370  -1.596  1.00  0.00           H  
HETATM   37  H   UNL     1       0.484  -3.905   0.721  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.082  -3.488  -0.914  1.00  0.00           H  
HETATM   39  H   UNL     1       1.437  -4.392  -0.702  1.00  0.00           H  
HETATM   40  H   UNL     1       4.937   4.812   0.175  1.00  0.00           H  
HETATM   41  H   UNL     1       5.120   3.344   1.165  1.00  0.00           H  
HETATM   42  H   UNL     1       5.499   3.298  -0.574  1.00  0.00           H  
CONECT    1    2    6    6   27                                       
CONECT    2    1    3   11   11                                       
CONECT    3    2    4    4    7                                       
CONECT    4    3    3    5    9                                       
CONECT    5    4    6   10   10                                       
CONECT    6    1    1    5   25                                       
CONECT    7    3    8   12                                            
CONECT    8    7    9    9   24                                       
CONECT    9    4    8    8   13                                       
CONECT   10    5    5                                                 
CONECT   11    2    2                                                 
CONECT   12    7   28   29   30                                       
CONECT   13    9   14   31   32                                       
CONECT   14   13   15                                                 
CONECT   15   14   16   16   20                                       
CONECT   16   15   15   17   33                                       
CONECT   17   16   18   18   34                                       
CONECT   18   17   17   19   21                                       
CONECT   19   18   20   20   35                                       
CONECT   20   15   19   19   36                                       
CONECT   21   18   22   23   23                                       
CONECT   22   21                                                      
CONECT   23   21   21                                                 
CONECT   24    8   37   38   39                                       
CONECT   25    6   26                                                 
CONECT   26   25   40   41   42                                       
CONECT   27    1                                                      
CONECT   28   12                                                      
CONECT   29   12                                                      
CONECT   30   12                                                      
CONECT   31   13                                                      
CONECT   32   13                                                      
CONECT   33   16                                                      
CONECT   34   17                                                      
CONECT   35   19                                                      
CONECT   36   20                                                      
CONECT   37   24                                                      
CONECT   38   24                                                      
CONECT   39   24                                                      
CONECT   40   26                                                      
CONECT   41   26                                                      
CONECT   42   26                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
