COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.120   1.877  -1.406  1.00  0.00           O  
HETATM    2  B   UNL     1       0.697   0.952  -0.496  1.00  0.00           B  
HETATM    3  O   UNL     1       2.072   1.013  -0.138  1.00  0.00           O  
HETATM    4  C   UNL     1       2.688  -0.192  -0.032  1.00  0.00           C  
HETATM    5  C   UNL     1       2.021  -1.400  -0.038  1.00  0.00           C  
HETATM    6  C   UNL     1       0.526  -1.522  -0.188  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.157  -0.195   0.177  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.525  -0.173  -0.346  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.529   0.310   0.413  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.299   0.728   1.528  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.937   0.333  -0.125  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.875   0.926   0.928  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.304   0.949   0.382  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.746  -0.478   0.050  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.808  -1.071  -1.003  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.378  -1.094  -0.457  1.00  0.00           C  
HETATM   17  C   UNL     1       2.741  -2.581   0.092  1.00  0.00           C  
HETATM   18  C   UNL     1       4.117  -2.569   0.218  1.00  0.00           C  
HETATM   19  C   UNL     1       4.799  -1.372   0.216  1.00  0.00           C  
HETATM   20  C   UNL     1       4.092  -0.176   0.092  1.00  0.00           C  
HETATM   21  C   UNL     1       4.815   1.108   0.089  1.00  0.00           C  
HETATM   22  O   UNL     1       4.202   2.151  -0.020  1.00  0.00           O  
HETATM   23  O   UNL     1       6.158   1.125   0.208  1.00  0.00           O  
HETATM   24  H   UNL     1       0.743   2.534  -1.747  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.169  -0.064   1.259  1.00  0.00           H  
HETATM   26  H   UNL     1       0.286  -1.781  -1.219  1.00  0.00           H  
HETATM   27  H   UNL     1       0.160  -2.307   0.473  1.00  0.00           H  
HETATM   28  H   UNL     1       2.216  -3.525   0.096  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.709  -0.507  -1.238  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.971   0.943  -1.028  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.841   0.316   1.830  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.560   1.942   1.164  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.710  -1.516  -1.207  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.344  -1.704   0.445  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.973   1.371   1.131  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.339   1.559  -0.521  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.712  -1.088   0.952  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.764  -0.462  -0.339  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.122  -2.087  -1.240  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.842  -0.461  -1.906  1.00  0.00           H  
HETATM   41  H   UNL     1       4.658  -3.498   0.319  1.00  0.00           H  
HETATM   42  H   UNL     1       5.875  -1.360   0.311  1.00  0.00           H  
HETATM   43  H   UNL     1       6.588   1.992   0.201  1.00  0.00           H  
CONECT    1    2   24                                                 
CONECT    2    1    3    7                                            
CONECT    3    2    4                                                 
CONECT    4    3    5   20   20                                       
CONECT    5    4    6   17   17                                       
CONECT    6    5    7   26   27                                       
CONECT    7    2    6    8   25                                       
CONECT    8    7    9   29                                            
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   16   30                                       
CONECT   12   11   13   31   32                                       
CONECT   13   12   14   35   36                                       
CONECT   14   13   15   37   38                                       
CONECT   15   14   16   39   40                                       
CONECT   16   11   15   33   34                                       
CONECT   17    5    5   18   28                                       
CONECT   18   17   19   19   41                                       
CONECT   19   18   18   20   42                                       
CONECT   20    4    4   19   21                                       
CONECT   21   20   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   43                                                 
CONECT   24    1                                                      
CONECT   25    7                                                      
CONECT   26    6                                                      
CONECT   27    6                                                      
CONECT   28   17                                                      
CONECT   29    8                                                      
CONECT   30   11                                                      
CONECT   31   12                                                      
CONECT   32   12                                                      
CONECT   33   16                                                      
CONECT   34   16                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   23                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
