COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.600  -2.359   0.404  1.00  0.00           C  
HETATM    2  C   UNL     1       2.280  -2.565   0.049  1.00  0.00           C  
HETATM    3  C   UNL     1       1.495  -1.494  -0.358  1.00  0.00           C  
HETATM    4  C   UNL     1       2.037  -0.215  -0.406  1.00  0.00           C  
HETATM    5  C   UNL     1       3.351  -0.017  -0.051  1.00  0.00           C  
HETATM    6  C   UNL     1       4.135  -1.090   0.354  1.00  0.00           C  
HETATM    7  C   UNL     1       5.501  -0.525   0.665  1.00  0.00           C  
HETATM    8  B   UNL     1       4.268   1.242   0.019  1.00  0.00           B1-
HETATM    9  O   UNL     1       3.586   2.290   0.571  1.00  0.00           O  
HETATM   10  C   UNL     1      -5.894  -2.207   0.568  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.261   0.420   0.465  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.301  -0.507   0.092  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.971   1.771   0.425  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.724   2.202   0.013  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.760   1.284  -0.361  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.044  -0.073  -0.323  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.434   0.293   0.055  1.00  0.00           O  
HETATM   18  O   UNL     1      -4.585  -1.836   0.131  1.00  0.00           O  
HETATM   19  N   UNL     1       0.159  -1.703  -0.719  1.00  0.00           N  
HETATM   20  N   UNL     1      -2.069  -1.005  -0.702  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.769  -0.767  -0.438  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.414   3.676  -0.029  1.00  0.00           C  
HETATM   23  O   UNL     1       4.710   1.572  -1.232  1.00  0.00           O  
HETATM   24  O   UNL     1       5.329   0.894   0.823  1.00  0.00           O  
HETATM   25  H   UNL     1       4.210  -3.191   0.724  1.00  0.00           H  
HETATM   26  H   UNL     1       1.859  -3.559   0.088  1.00  0.00           H  
HETATM   27  H   UNL     1       1.430   0.620  -0.723  1.00  0.00           H  
HETATM   28  H   UNL     1       5.884  -0.960   1.587  1.00  0.00           H  
HETATM   29  H   UNL     1       6.186  -0.730  -0.158  1.00  0.00           H  
HETATM   30  H   UNL     1       4.104   3.104   0.641  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.056  -1.843   1.582  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.637  -1.768  -0.098  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.988  -3.293   0.552  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.238   0.086   0.783  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.721   2.492   0.716  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.787   1.623  -0.683  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.099  -2.521  -1.172  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.330  -1.823  -1.155  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.004   3.989   0.931  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.686   3.872  -0.816  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.328   4.234  -0.233  1.00  0.00           H  
HETATM   42  H   UNL     1       5.285   2.349  -1.254  1.00  0.00           H  
CONECT    1    2    6    6   25                                       
CONECT    2    3    3    1   26                                       
CONECT    3   19    2    2    4                                       
CONECT    4    3    5    5   27                                       
CONECT    5    4    4    6    8                                       
CONECT    6    1    1    5    7                                       
CONECT    7    6   24   28   29                                       
CONECT    8    5   23   24    9                                       
CONECT    9    8   30                                                 
CONECT   10   18   31   32   33                                       
CONECT   11   12   12   13   34                                       
CONECT   12   18   11   11   16                                       
CONECT   13   11   14   14   35                                       
CONECT   14   13   13   15   22                                       
CONECT   15   16   16   14   36                                       
CONECT   16   12   20   15   15                                       
CONECT   17   21   21                                                 
CONECT   18   10   12                                                 
CONECT   19   21    3   37                                            
CONECT   20   16   21   38                                            
CONECT   21   20   19   17   17                                       
CONECT   22   14   39   40   41                                       
CONECT   23    8   42                                                 
CONECT   24    7    8                                                 
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    4                                                      
CONECT   28    7                                                      
CONECT   29    7                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   13                                                      
CONECT   36   15                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   22                                                      
CONECT   40   22                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
