COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.566  -1.003   0.479  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.588  -0.760   1.630  1.00  0.00           C  
HETATM    3  C   UNL     1       1.679   0.253   1.278  1.00  0.00           C  
HETATM    4  B   UNL     1      -1.247  -2.384  -0.196  1.00  0.00           B  
HETATM    5  O   UNL     1      -1.313  -3.579   0.567  1.00  0.00           O  
HETATM    6  O   UNL     1      -0.893  -2.437  -1.571  1.00  0.00           O  
HETATM    7  N   UNL     1      -2.936  -1.017   0.997  1.00  0.00           N  
HETATM    8  N   UNL     1       0.782  -0.745   1.112  1.00  0.00           N  
HETATM    9  C   UNL     1       2.815  -0.150   0.637  1.00  0.00           C  
HETATM   10  N   UNL     1       2.544  -1.363   0.122  1.00  0.00           N  
HETATM   11  N   UNL     1       1.335  -1.680   0.423  1.00  0.00           N  
HETATM   12  C   UNL     1       4.092   0.600   0.530  1.00  0.00           C  
HETATM   13  C   UNL     1       5.128   0.102  -0.252  1.00  0.00           C  
HETATM   14  C   UNL     1       6.324   0.811  -0.349  1.00  0.00           C  
HETATM   15  C   UNL     1       6.474   2.017   0.341  1.00  0.00           C  
HETATM   16  C   UNL     1       5.441   2.504   1.115  1.00  0.00           C  
HETATM   17  C   UNL     1       4.252   1.806   1.209  1.00  0.00           C  
HETATM   18  C   UNL     1       7.431   0.290  -1.177  1.00  0.00           C  
HETATM   19  O   UNL     1       7.299  -0.759  -1.776  1.00  0.00           O  
HETATM   20  O   UNL     1       8.585   0.977  -1.269  1.00  0.00           O  
HETATM   21  C   UNL     1      -3.909  -0.345   0.349  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.650   0.271  -0.663  1.00  0.00           O  
HETATM   23  C   UNL     1      -5.318  -0.360   0.882  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.205   0.460  -0.020  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.877  -0.009  -1.072  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.629   0.933  -1.752  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.567   2.168  -1.252  1.00  0.00           C  
HETATM   28  S   UNL     1      -6.517   2.182   0.159  1.00  0.00           S  
HETATM   29  H   UNL     1      -1.465  -0.206  -0.258  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.809   0.199   2.099  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.689  -1.556   2.367  1.00  0.00           H  
HETATM   32  H   UNL     1       1.526   1.182   1.806  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.100  -4.378   0.066  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.715  -3.330  -1.896  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.144  -1.510   1.806  1.00  0.00           H  
HETATM   36  H   UNL     1       5.007  -0.831  -0.783  1.00  0.00           H  
HETATM   37  H   UNL     1       7.400   2.569   0.268  1.00  0.00           H  
HETATM   38  H   UNL     1       5.560   3.437   1.647  1.00  0.00           H  
HETATM   39  H   UNL     1       3.445   2.195   1.814  1.00  0.00           H  
HETATM   40  H   UNL     1       9.280   0.596  -1.823  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.684  -1.387   0.914  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.331   0.062   1.886  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.838  -1.047  -1.370  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.220   0.687  -2.621  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.085   3.028  -1.651  1.00  0.00           H  
CONECT    1    7    4    2   29                                       
CONECT    2    1    8   30   31                                       
CONECT    3    8    9    9   32                                       
CONECT    4    1    5    6                                            
CONECT    5    4   33                                                 
CONECT    6    4   34                                                 
CONECT    7   21    1   35                                            
CONECT    8    2    3   11                                            
CONECT    9    3    3   12   10                                       
CONECT   10    9   11   11                                            
CONECT   11    8   10   10                                            
CONECT   12   13    9   17   17                                       
CONECT   13   14   14   12   36                                       
CONECT   14   18   13   13   15                                       
CONECT   15   14   16   16   37                                       
CONECT   16   15   15   17   38                                       
CONECT   17   12   12   16   39                                       
CONECT   18   19   19   20   14                                       
CONECT   19   18   18                                                 
CONECT   20   18   40                                                 
CONECT   21   23   22   22    7                                       
CONECT   22   21   21                                                 
CONECT   23   24   21   41   42                                       
CONECT   24   25   25   23   28                                       
CONECT   25   26   24   24   43                                       
CONECT   26   25   27   27   44                                       
CONECT   27   26   26   28   45                                       
CONECT   28   24   27                                                 
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36   13                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   20                                                      
CONECT   41   23                                                      
CONECT   42   23                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
