COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.010   0.562   0.745  1.00  0.00           C  
HETATM    2  O   UNL     1       1.971   1.008   1.874  1.00  0.00           O  
HETATM    3  O   UNL     1       3.187   0.179   0.212  1.00  0.00           O  
HETATM    4  C   UNL     1       4.366   0.328   1.045  1.00  0.00           C  
HETATM    5  C   UNL     1       5.579  -0.147   0.288  1.00  0.00           C  
HETATM    6  C   UNL     1       6.300   0.739  -0.490  1.00  0.00           C  
HETATM    7  C   UNL     1       7.412   0.303  -1.185  1.00  0.00           C  
HETATM    8  C   UNL     1       7.805  -1.020  -1.101  1.00  0.00           C  
HETATM    9  C   UNL     1       7.085  -1.906  -0.322  1.00  0.00           C  
HETATM   10  C   UNL     1       5.975  -1.469   0.376  1.00  0.00           C  
HETATM   11  N   UNL     1       0.876   0.444   0.026  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.405   0.855   0.608  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.525   0.103  -0.064  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.278  -0.697  -0.942  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.601   2.358   0.398  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.801   0.320   0.311  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.891  -0.411  -0.342  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.868  -0.923   0.718  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.006  -1.686   0.036  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.444   0.262   1.496  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.915  -2.303   1.100  1.00  0.00           C  
HETATM   22  B   UNL     1      -4.645   0.548  -1.331  1.00  0.00           B  
HETATM   23  O   UNL     1      -5.263   0.022  -2.496  1.00  0.00           O  
HETATM   24  O   UNL     1      -4.709   1.940  -1.059  1.00  0.00           O  
HETATM   25  H   UNL     1       4.493   1.378   1.311  1.00  0.00           H  
HETATM   26  H   UNL     1       4.249  -0.265   1.952  1.00  0.00           H  
HETATM   27  H   UNL     1       5.994   1.773  -0.556  1.00  0.00           H  
HETATM   28  H   UNL     1       7.975   0.995  -1.794  1.00  0.00           H  
HETATM   29  H   UNL     1       8.674  -1.361  -1.645  1.00  0.00           H  
HETATM   30  H   UNL     1       7.391  -2.940  -0.257  1.00  0.00           H  
HETATM   31  H   UNL     1       5.414  -2.161   0.987  1.00  0.00           H  
HETATM   32  H   UNL     1       0.907   0.088  -0.875  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.407   0.633   1.675  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.599   2.579  -0.669  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.554   2.663   0.831  1.00  0.00           H  
HETATM   36  H   UNL     1       0.209   2.901   0.884  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.999   0.959   1.013  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.481  -1.255  -0.896  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.345  -1.588   1.404  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.584  -0.999  -0.582  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.590  -2.476  -0.589  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.967   0.928   0.809  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.140  -0.102   2.251  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.633   0.806   1.982  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.337  -2.990   1.719  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.331  -1.513   1.725  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.726  -2.847   0.614  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.166  -0.935  -2.595  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.260   2.203  -0.244  1.00  0.00           H  
CONECT    1    2    2    3   11                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5   25   26                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   27                                       
CONECT    7    6    8    8   28                                       
CONECT    8    7    7    9   29                                       
CONECT    9    8   10   10   30                                       
CONECT   10    5    9    9   31                                       
CONECT   11   12   32    1                                            
CONECT   12   11   13   15   33                                       
CONECT   13   12   14   14   16                                       
CONECT   14   13   13                                                 
CONECT   15   12   34   35   36                                       
CONECT   16   17   37   13                                            
CONECT   17   16   18   22   38                                       
CONECT   18   17   19   20   39                                       
CONECT   19   18   21   40   41                                       
CONECT   20   18   42   43   44                                       
CONECT   21   19   45   46   47                                       
CONECT   22   17   23   24                                            
CONECT   23   22   48                                                 
CONECT   24   22   49                                                 
CONECT   25    4                                                      
CONECT   26    4                                                      
CONECT   27    6                                                      
CONECT   28    7                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   15                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
