COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK     1       8.107   1.412   0.159  1.00  0.00           C  
HETATM    2  C   UNK     1       9.498   1.001   0.568  1.00  0.00           C  
HETATM    3  N   UNK     1       8.113   1.824  -1.251  1.00  0.00           N  
HETATM    4  O   UNK     1      10.401   1.047  -0.232  1.00  0.00           O  
HETATM    5  C   UNK     1       7.152   0.230   0.341  1.00  0.00           C  
HETATM    6  C   UNK     1       5.720   0.681   0.045  1.00  0.00           C  
HETATM    7  C   UNK     1       4.765  -0.501   0.227  1.00  0.00           C  
HETATM    8  C   UNK     1       3.334  -0.049  -0.069  1.00  0.00           C  
HETATM    9  N   UNK     1       2.419  -1.181   0.105  1.00  0.00           N  
HETATM   10  C   UNK     1       1.098  -1.018  -0.103  1.00  0.00           C  
HETATM   11  O   UNK     1       0.665   0.066  -0.435  1.00  0.00           O  
HETATM   12  C   UNK     1       0.157  -2.182   0.076  1.00  0.00           C  
HETATM   13  C   UNK     1      -1.274  -1.731  -0.220  1.00  0.00           C  
HETATM   14  C   UNK     1      -2.198  -2.920  -0.161  1.00  0.00           C  
HETATM   15  O   UNK     1      -2.905  -3.183  -1.104  1.00  0.00           O  
HETATM   16  O   UNK     1      -2.235  -3.687   0.941  1.00  0.00           O  
HETATM   17  S   UNK     1      -1.789  -0.504   1.013  1.00  0.00           S  
HETATM   18  C   UNK     1      -3.293   0.125   0.344  1.00  0.00           C  
HETATM   19  C   UNK     1      -4.060   0.994   1.088  1.00  0.00           C  
HETATM   20  C   UNK     1      -5.255   1.497   0.549  1.00  0.00           C  
HETATM   21  C   UNK     1      -6.065   2.386   1.277  1.00  0.00           C  
HETATM   22  C   UNK     1      -7.217   2.855   0.724  1.00  0.00           C  
HETATM   23  C   UNK     1      -7.607   2.467  -0.556  1.00  0.00           C  
HETATM   24  C   UNK     1      -6.848   1.607  -1.290  1.00  0.00           C  
HETATM   25  C   UNK     1      -5.653   1.102  -0.753  1.00  0.00           C  
HETATM   26  C   UNK     1      -4.845   0.213  -1.485  1.00  0.00           C  
HETATM   27  C   UNK     1      -3.693  -0.260  -0.942  1.00  0.00           C  
HETATM   28  H   UNK     1       7.776   2.245   0.780  1.00  0.00           H  
HETATM   29  H   UNK     1       9.687   0.666   1.577  1.00  0.00           H  
HETATM   30  H   UNK     1       8.416   1.068  -1.847  1.00  0.00           H  
HETATM   31  H   UNK     1       7.206   2.165  -1.532  1.00  0.00           H  
HETATM   32  H   UNK     1       7.430  -0.571  -0.345  1.00  0.00           H  
HETATM   33  H   UNK     1       7.214  -0.132   1.367  1.00  0.00           H  
HETATM   34  H   UNK     1       5.442   1.482   0.731  1.00  0.00           H  
HETATM   35  H   UNK     1       5.658   1.044  -0.981  1.00  0.00           H  
HETATM   36  H   UNK     1       5.043  -1.301  -0.459  1.00  0.00           H  
HETATM   37  H   UNK     1       4.827  -0.863   1.253  1.00  0.00           H  
HETATM   38  H   UNK     1       3.056   0.751   0.617  1.00  0.00           H  
HETATM   39  H   UNK     1       3.272   0.313  -1.095  1.00  0.00           H  
HETATM   40  H   UNK     1       2.765  -2.047   0.371  1.00  0.00           H  
HETATM   41  H   UNK     1       0.435  -2.982  -0.609  1.00  0.00           H  
HETATM   42  H   UNK     1       0.220  -2.544   1.102  1.00  0.00           H  
HETATM   43  H   UNK     1      -1.317  -1.286  -1.214  1.00  0.00           H  
HETATM   44  H   UNK     1      -2.843  -4.438   0.932  1.00  0.00           H  
HETATM   45  H   UNK     1      -3.745   1.286   2.079  1.00  0.00           H  
HETATM   46  H   UNK     1      -5.774   2.696   2.270  1.00  0.00           H  
HETATM   47  H   UNK     1      -7.837   3.538   1.285  1.00  0.00           H  
HETATM   48  H   UNK     1      -8.526   2.853  -0.972  1.00  0.00           H  
HETATM   49  H   UNK     1      -7.164   1.315  -2.281  1.00  0.00           H  
HETATM   50  H   UNK     1      -5.141  -0.093  -2.478  1.00  0.00           H  
HETATM   51  H   UNK     1      -3.076  -0.939  -1.512  1.00  0.00           H  
CONECT    1    5    2    3   28                                       
CONECT    2    4    4    1   29                                       
CONECT    3    1   30   31                                            
CONECT    4    2    2                                                 
CONECT    5    6    1   32   33                                       
CONECT    6    7    5   34   35                                       
CONECT    7    8    6   36   37                                       
CONECT    8    9    7   38   39                                       
CONECT    9   10    8   40                                            
CONECT   10   12   11   11    9                                       
CONECT   11   10   10                                                 
CONECT   12   13   10   41   42                                       
CONECT   13   14   12   17   43                                       
CONECT   14   15   15   16   13                                       
CONECT   15   14   14                                                 
CONECT   16   14   44                                                 
CONECT   17   18   13                                                 
CONECT   18   19   19   27   17                                       
CONECT   19   20   18   18   45                                       
CONECT   20   21   21   25   19                                       
CONECT   21   22   20   20   46                                       
CONECT   22   23   23   21   47                                       
CONECT   23   22   22   24   48                                       
CONECT   24   23   25   25   49                                       
CONECT   25   24   24   20   26                                       
CONECT   26   25   27   27   50                                       
CONECT   27   26   26   18   51                                       
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   16                                                      
CONECT   45   19                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   26                                                      
CONECT   51   27                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
