COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.699  -0.632   0.057  1.00  0.00           C  
HETATM    2  O   UNL     1       5.616  -1.811  -0.215  1.00  0.00           O  
HETATM    3  C   UNL     1       7.047   0.041   0.092  1.00  0.00           C  
HETATM    4  C   UNL     1       8.135  -0.979  -0.249  1.00  0.00           C  
HETATM    5  C   UNL     1       9.483  -0.307  -0.214  1.00  0.00           C  
HETATM    6  O   UNL     1       9.565   0.868   0.056  1.00  0.00           O  
HETATM    7  O   UNL     1      10.592  -1.013  -0.483  1.00  0.00           O  
HETATM    8  C   UNL     1      11.856  -0.300  -0.431  1.00  0.00           C  
HETATM    9  N   UNL     1       4.584   0.079   0.321  1.00  0.00           N  
HETATM   10  C   UNL     1       3.273  -0.573   0.281  1.00  0.00           C  
HETATM   11  C   UNL     1       2.209   0.455  -0.003  1.00  0.00           C  
HETATM   12  O   UNL     1       2.516   1.618  -0.156  1.00  0.00           O  
HETATM   13  C   UNL     1       2.993  -1.238   1.630  1.00  0.00           C  
HETATM   14  N   UNL     1       0.916   0.082  -0.086  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.118   1.082  -0.362  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.439   0.601   0.181  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.642  -0.587   0.318  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.234   1.292  -1.873  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.395   1.491   0.515  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.685   1.168   1.142  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.465   0.231   0.256  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.996  -0.137  -0.800  1.00  0.00           O  
HETATM   23  C   UNL     1      -4.456   2.494   1.312  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.794   3.418   0.256  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.317   2.950   0.318  1.00  0.00           C  
HETATM   26  N   UNL     1      -5.684  -0.198   0.637  1.00  0.00           N  
HETATM   27  C   UNL     1      -6.443  -1.109  -0.224  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.040  -2.233   0.624  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.832  -3.185  -0.275  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.914  -3.004   1.315  1.00  0.00           C  
HETATM   31  B   UNL     1      -7.599  -0.317  -0.933  1.00  0.00           B  
HETATM   32  O   UNL     1      -7.766   1.070  -0.683  1.00  0.00           O  
HETATM   33  O   UNL     1      -8.477  -0.990  -1.824  1.00  0.00           O  
HETATM   34  H   UNL     1       7.068   0.852  -0.637  1.00  0.00           H  
HETATM   35  H   UNL     1       7.226   0.444   1.089  1.00  0.00           H  
HETATM   36  H   UNL     1       8.114  -1.790   0.479  1.00  0.00           H  
HETATM   37  H   UNL     1       7.956  -1.382  -1.246  1.00  0.00           H  
HETATM   38  H   UNL     1      12.003   0.106   0.570  1.00  0.00           H  
HETATM   39  H   UNL     1      12.670  -0.986  -0.667  1.00  0.00           H  
HETATM   40  H   UNL     1      11.845   0.514  -1.155  1.00  0.00           H  
HETATM   41  H   UNL     1       4.650   1.022   0.538  1.00  0.00           H  
HETATM   42  H   UNL     1       3.267  -1.329  -0.505  1.00  0.00           H  
HETATM   43  H   UNL     1       2.999  -0.483   2.416  1.00  0.00           H  
HETATM   44  H   UNL     1       2.017  -1.724   1.600  1.00  0.00           H  
HETATM   45  H   UNL     1       3.763  -1.982   1.836  1.00  0.00           H  
HETATM   46  H   UNL     1       0.671  -0.848   0.037  1.00  0.00           H  
HETATM   47  H   UNL     1       0.150   2.024   0.116  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.588   0.374  -2.342  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.940   2.098  -2.075  1.00  0.00           H  
HETATM   50  H   UNL     1       0.743   1.554  -2.279  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.519   0.706   2.115  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.515   2.355   1.093  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.318   2.894   2.316  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.220   3.250  -0.733  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.882   4.466   0.545  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.802   3.419   1.156  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.807   3.179  -0.618  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.060   0.096   1.482  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.779  -1.534  -0.976  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.704  -1.808   1.377  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.168  -3.610  -1.028  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.258  -3.986   0.329  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.635  -2.635  -0.767  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.349  -2.327   1.956  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.339  -3.806   1.919  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.250  -3.430   0.563  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.504   1.470  -1.164  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.156  -0.420  -2.211  1.00  0.00           H  
CONECT    1    2    2    3    9                                       
CONECT    2    1    1                                                 
CONECT    3    1    4   34   35                                       
CONECT    4    3    5   36   37                                       
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8                                                 
CONECT    8    7   38   39   40                                       
CONECT    9   10   41    1                                            
CONECT   10    9   11   13   42                                       
CONECT   11   10   12   12   14                                       
CONECT   12   11   11                                                 
CONECT   13   10   43   44   45                                       
CONECT   14   15   46   11                                            
CONECT   15   14   16   18   47                                       
CONECT   16   15   17   17   19                                       
CONECT   17   16   16                                                 
CONECT   18   15   48   49   50                                       
CONECT   19   20   25   16                                            
CONECT   20   19   21   23   51                                       
CONECT   21   20   22   22   26                                       
CONECT   22   21   21                                                 
CONECT   23   20   24   52   53                                       
CONECT   24   23   25   54   55                                       
CONECT   25   19   24   56   57                                       
CONECT   26   27   58   21                                            
CONECT   27   26   28   31   59                                       
CONECT   28   27   29   30   60                                       
CONECT   29   28   61   62   63                                       
CONECT   30   28   64   65   66                                       
CONECT   31   27   32   33                                            
CONECT   32   31   67                                                 
CONECT   33   31   68                                                 
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   18                                                      
CONECT   51   20                                                      
CONECT   52   23                                                      
CONECT   53   23                                                      
CONECT   54   24                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   29                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
CONECT   67   32                                                      
CONECT   68   33                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
