COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.769  -1.751   0.338  1.00  0.00           O  
HETATM    2  C   UNL     1      -6.154  -0.731   0.092  1.00  0.00           C  
HETATM    3  N   UNL     1      -6.819   0.421  -0.125  1.00  0.00           N  
HETATM    4  C   UNL     1      -8.283   0.445  -0.063  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.940   1.613   0.675  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.005   1.539  -0.852  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.680  -0.753   0.036  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.990  -1.948   0.266  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.626  -1.969   0.214  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.918  -0.795  -0.069  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.609   0.399  -0.299  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.973   0.419  -0.253  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.445  -0.818  -0.124  1.00  0.00           C  
HETATM   14  N   UNL     1       0.396   0.252   0.026  1.00  0.00           N  
HETATM   15  C   UNL     1       0.194   1.586   0.257  1.00  0.00           C  
HETATM   16  C   UNL     1       1.250   2.419   0.360  1.00  0.00           C  
HETATM   17  N   UNL     1       2.502   1.969   0.241  1.00  0.00           N  
HETATM   18  C   UNL     1       2.753   0.695   0.018  1.00  0.00           C  
HETATM   19  C   UNL     1       1.676  -0.220  -0.098  1.00  0.00           C  
HETATM   20  N   UNL     1       1.623  -1.526  -0.315  1.00  0.00           N  
HETATM   21  C   UNL     1       0.356  -1.923  -0.332  1.00  0.00           C  
HETATM   22  N   UNL     1       4.061   0.252  -0.103  1.00  0.00           N  
HETATM   23  C   UNL     1       5.170   1.201   0.017  1.00  0.00           C  
HETATM   24  C   UNL     1       6.477   0.471  -0.152  1.00  0.00           C  
HETATM   25  S   UNL     1       7.403  -0.265   1.150  1.00  0.00           S  
HETATM   26  C   UNL     1       8.632  -0.802   0.013  1.00  0.00           C  
HETATM   27  C   UNL     1       8.298  -0.420  -1.221  1.00  0.00           C  
HETATM   28  C   UNL     1       7.106   0.279  -1.312  1.00  0.00           C  
HETATM   29  H   UNL     1      -6.329   1.235  -0.321  1.00  0.00           H  
HETATM   30  H   UNL     1      -8.766  -0.530   0.004  1.00  0.00           H  
HETATM   31  H   UNL     1      -9.856   1.407   1.229  1.00  0.00           H  
HETATM   32  H   UNL     1      -8.283   2.364   1.115  1.00  0.00           H  
HETATM   33  H   UNL     1      -8.392   2.241  -1.416  1.00  0.00           H  
HETATM   34  H   UNL     1      -9.964   1.285  -1.303  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.536  -2.853   0.485  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.093  -2.891   0.393  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.063   1.305  -0.518  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.507   1.340  -0.435  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.810   1.971   0.356  1.00  0.00           H  
HETATM   40  H   UNL     1       1.080   3.470   0.542  1.00  0.00           H  
HETATM   41  H   UNL     1       0.012  -2.936  -0.483  1.00  0.00           H  
HETATM   42  H   UNL     1       4.242  -0.687  -0.267  1.00  0.00           H  
HETATM   43  H   UNL     1       5.078   1.966  -0.754  1.00  0.00           H  
HETATM   44  H   UNL     1       5.141   1.671   1.000  1.00  0.00           H  
HETATM   45  H   UNL     1       9.521  -1.357   0.273  1.00  0.00           H  
HETATM   46  H   UNL     1       8.909  -0.641  -2.083  1.00  0.00           H  
HETATM   47  H   UNL     1       6.716   0.643  -2.251  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1    7                                       
CONECT    3    4    2   29                                            
CONECT    4    5    6    3   30                                       
CONECT    5    4    6   31   32                                       
CONECT    6    5    4   33   34                                       
CONECT    7    2    8    8   12                                       
CONECT    8    7    7    9   35                                       
CONECT    9    8   10   10   36                                       
CONECT   10    9    9   11   13                                       
CONECT   11   12   12   10   37                                       
CONECT   12    7   11   11   38                                       
CONECT   13   10   14   21   21                                       
CONECT   14   13   15   19                                            
CONECT   15   14   16   16   39                                       
CONECT   16   15   15   17   40                                       
CONECT   17   16   18   18                                            
CONECT   18   19   17   17   22                                       
CONECT   19   14   20   20   18                                       
CONECT   20   21   19   19                                            
CONECT   21   13   13   20   41                                       
CONECT   22   18   23   42                                            
CONECT   23   22   24   43   44                                       
CONECT   24   23   28   28   25                                       
CONECT   25   24   26                                                 
CONECT   26   25   27   27   45                                       
CONECT   27   28   26   26   46                                       
CONECT   28   24   24   27   47                                       
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   23                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47   28                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
