COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -9.444  -0.291  -0.453  1.00  0.00           O  
HETATM    2  C   UNL     1      -8.262   0.139   0.015  1.00  0.00           C  
HETATM    3  O   UNL     1      -8.224   1.011   0.850  1.00  0.00           O  
HETATM    4  C   UNL     1      -6.982  -0.468  -0.501  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.789   0.195   0.191  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.490  -0.420  -0.332  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.297   0.243   0.359  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.017  -0.363  -0.156  1.00  0.00           C  
HETATM    9  O   UNL     1      -2.055  -1.236  -0.991  1.00  0.00           O  
HETATM   10  O   UNL     1      -0.835   0.066   0.312  1.00  0.00           O  
HETATM   11  C   UNL     1       0.357  -0.563  -0.229  1.00  0.00           C  
HETATM   12  C   UNL     1       1.598   0.053   0.419  1.00  0.00           C  
HETATM   13  C   UNL     1       1.547  -0.170   1.932  1.00  0.00           C  
HETATM   14  S   UNL     1       1.643   1.832   0.071  1.00  0.00           S  
HETATM   15  O   UNL     1       0.377   2.405   0.370  1.00  0.00           O  
HETATM   16  O   UNL     1       1.691   1.883  -1.449  1.00  0.00           O  
HETATM   17  CA  UNL     1       2.854  -0.610  -0.151  1.00  0.00           C  
HETATM   18  C   UNL     1       2.759  -2.103   0.029  1.00  0.00           C  
HETATM   19  OXT UNL     1       1.749  -2.785  -0.534  1.00  0.00           O  
HETATM   20  O   UNL     1       3.593  -2.687   0.679  1.00  0.00           O  
HETATM   21  N   UNL     1       4.038  -0.105   0.556  1.00  0.00           N  
HETATM   22  C   UNL     1       5.240  -0.219  -0.282  1.00  0.00           C  
HETATM   23  C   UNL     1       6.450   0.315   0.486  1.00  0.00           C  
HETATM   24  C   UNL     1       7.682   0.199  -0.373  1.00  0.00           C  
HETATM   25  O   UNL     1       8.360   1.174  -0.592  1.00  0.00           O  
HETATM   26  H   UNL     1     -10.238   0.128  -0.093  1.00  0.00           H  
HETATM   27  H   UNL     1      -6.976  -1.537  -0.290  1.00  0.00           H  
HETATM   28  H   UNL     1      -6.912  -0.309  -1.577  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.795   1.265  -0.020  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.859   0.037   1.267  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.484  -1.490  -0.122  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.420  -0.262  -1.408  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.303   1.312   0.148  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.366   0.084   1.435  1.00  0.00           H  
HETATM   35  H   UNL     1       0.330  -1.632  -0.020  1.00  0.00           H  
HETATM   36  H   UNL     1       0.394  -0.404  -1.307  1.00  0.00           H  
HETATM   37  H   UNL     1       1.520  -1.240   2.141  1.00  0.00           H  
HETATM   38  H   UNL     1       2.431   0.268   2.394  1.00  0.00           H  
HETATM   39  H   UNL     1       0.652   0.302   2.339  1.00  0.00           H  
HETATM   40  HA  UNL     1       2.937  -0.377  -1.213  1.00  0.00           H  
HETATM   41  HXT UNL     1       1.731  -3.741  -0.390  1.00  0.00           H  
HETATM   42  H   UNL     1       5.405  -1.265  -0.540  1.00  0.00           H  
HETATM   43  H   UNL     1       6.284   1.361   0.744  1.00  0.00           H  
HETATM   44  H   UNL     1       6.587  -0.266   1.398  1.00  0.00           H  
HETATM   45  H   UNL     1       7.959  -0.757  -0.793  1.00  0.00           H  
HETATM   46  H   UNL     1       3.899   0.846   0.861  1.00  0.00           H  
HETATM   47  H   UNL     1       5.103   0.362  -1.194  1.00  0.00           H  
HETATM   48  H   UNL     1       1.720   2.779  -1.812  1.00  0.00           H  
CONECT    1    2   26                                                 
CONECT    2    3    3    1    4                                       
CONECT    3    2    2                                                 
CONECT    4    5    2   27   28                                       
CONECT    5    6    4   29   30                                       
CONECT    6    7    5   31   32                                       
CONECT    7    8    6   33   34                                       
CONECT    8    9    9    7   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11                                                 
CONECT   11   10   12   35   36                                       
CONECT   12   11   13   14   17                                       
CONECT   13   12   37   38   39                                       
CONECT   14   15   15   12   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   48                                                 
CONECT   17   12   21   18   40                                       
CONECT   18   17   20   20   19                                       
CONECT   19   18   41                                                 
CONECT   20   18   18                                                 
CONECT   21   17   22   46                                            
CONECT   22   21   23   42   47                                       
CONECT   23   22   24   43   44                                       
CONECT   24   23   25   25   45                                       
CONECT   25   24   24                                                 
CONECT   26    1                                                      
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   17                                                      
CONECT   41   19                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   16                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
