COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.677  -2.693   0.054  1.00  0.00           O  
HETATM    2  C   UNL     1       2.977  -1.518   0.031  1.00  0.00           C  
HETATM    3  C   UNL     1       4.410  -1.102   0.242  1.00  0.00           C  
HETATM    4  N   UNL     1       5.241  -2.295   0.452  1.00  0.00           N  
HETATM    5  C   UNL     1       4.907  -0.344  -0.991  1.00  0.00           C  
HETATM    6  N   UNL     1       2.029  -0.586  -0.188  1.00  0.00           N  
HETATM    7  C   UNL     1       2.198   0.885  -0.252  1.00  0.00           C  
HETATM    8  C   UNL     1       0.957   1.452   0.470  1.00  0.00           C  
HETATM    9  N   UNL     1       1.267   1.722   1.880  1.00  0.00           N  
HETATM   10  C   UNL     1       0.478   2.708  -0.211  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.278   3.590   0.462  1.00  0.00           O  
HETATM   12  O   UNL     1       0.775   2.922  -1.362  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.110   0.342   0.359  1.00  0.00           C  
HETATM   14  C   UNL     1       0.582  -0.799  -0.426  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.331   0.853  -0.409  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.404  -0.206  -0.407  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.604   0.080   0.034  1.00  0.00           C  
HETATM   18  B   UNL     1      -4.712  -1.013   0.036  1.00  0.00           B1+
HETATM   19  O   UNL     1      -5.758  -0.602  -0.742  1.00  0.00           O  
HETATM   20  O   UNL     1      -4.203  -2.179  -0.463  1.00  0.00           O  
HETATM   21  O   UNL     1      -5.148  -1.216   1.316  1.00  0.00           O  
HETATM   22  H   UNL     1       4.475  -0.455   1.116  1.00  0.00           H  
HETATM   23  H   UNL     1       6.207  -2.041   0.595  1.00  0.00           H  
HETATM   24  H   UNL     1       4.893  -2.846   1.221  1.00  0.00           H  
HETATM   25  H   UNL     1       4.841  -0.991  -1.866  1.00  0.00           H  
HETATM   26  H   UNL     1       4.290   0.541  -1.147  1.00  0.00           H  
HETATM   27  H   UNL     1       5.943  -0.043  -0.839  1.00  0.00           H  
HETATM   28  H   UNL     1       3.109   1.185   0.266  1.00  0.00           H  
HETATM   29  H   UNL     1       2.223   1.220  -1.288  1.00  0.00           H  
HETATM   30  H   UNL     1       1.964   2.447   1.964  1.00  0.00           H  
HETATM   31  H   UNL     1       0.433   1.962   2.394  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.561   4.381  -0.017  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.402  -0.003   1.351  1.00  0.00           H  
HETATM   34  H   UNL     1       0.350  -0.723  -1.489  1.00  0.00           H  
HETATM   35  H   UNL     1       0.275  -1.769  -0.037  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.710   1.755   0.070  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.045   1.079  -1.436  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.183  -1.199  -0.768  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.824   1.073   0.396  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.487  -1.236  -0.787  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.874  -2.109  -1.369  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.523  -0.429   1.734  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    6    1    1    3                                       
CONECT    3    2    4    5   22                                       
CONECT    4    3   23   24                                            
CONECT    5    3   25   26   27                                       
CONECT    6    7   14    2                                            
CONECT    7    8    6   28   29                                       
CONECT    8    9   13   10    7                                       
CONECT    9    8   30   31                                            
CONECT   10   12   12    8   11                                       
CONECT   11   10   32                                                 
CONECT   12   10   10                                                 
CONECT   13    8   15   14   33                                       
CONECT   14   13    6   34   35                                       
CONECT   15   13   16   36   37                                       
CONECT   16   15   17   17   38                                       
CONECT   17   18   16   16   39                                       
CONECT   18   19   21   17   20                                       
CONECT   19   18   40                                                 
CONECT   20   18   41                                                 
CONECT   21   18   42                                                 
CONECT   22    3                                                      
CONECT   23    4                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    5                                                      
CONECT   27    5                                                      
CONECT   28    7                                                      
CONECT   29    7                                                      
CONECT   30    9                                                      
CONECT   31    9                                                      
CONECT   32   11                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
