COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   1      -1.006   0.068  -7.366  1.00  0.00           C  
HETATM    2  C   UNK A   1      -0.444  -0.568  -6.122  1.00  0.00           C  
HETATM    3  C   UNK A   1      -0.670   0.359  -4.927  1.00  0.00           C  
HETATM    4  C   UNK A   1      -0.099  -0.287  -3.663  1.00  0.00           C  
HETATM    5  C   UNK A   1      -0.325   0.641  -2.468  1.00  0.00           C  
HETATM    6  C   UNK A   1       0.237   0.004  -1.224  1.00  0.00           C  
HETATM    7  N   UNK A   1       0.152   0.645  -0.041  1.00  0.00           N  
HETATM    8  C   UNK A   1       0.699   0.026   1.168  1.00  0.00           C  
HETATM    9  C   UNK A   1      -0.094   0.478   2.366  1.00  0.00           C  
HETATM   10  N   UNK A   1       0.995  -0.799  -6.298  1.00  0.00           N  
HETATM   11  O   UNK A   1       0.767  -1.084  -1.286  1.00  0.00           O  
HETATM   12  C   UNK A   1       2.161   0.443   1.338  1.00  0.00           C  
HETATM   13  S   UNK A   1       3.117  -0.100  -0.104  1.00  0.00           S  
HETATM   14  O   UNK A   1      -1.025   1.242   2.224  1.00  0.00           O  
HETATM   15  O   UNK A   1      -2.282  -0.158  -7.718  1.00  0.00           O  
HETATM   16  O   UNK A   1      -0.309   0.782  -8.047  1.00  0.00           O  
ATOM     17  N   VAL A   2       0.229   0.033   3.596  1.00  0.00           N  
ATOM     18  CA  VAL A   2      -0.542   0.472   4.761  1.00  0.00           C  
ATOM     19  C   VAL A   2      -1.686  -0.479   4.994  1.00  0.00           C  
ATOM     20  CB  VAL A   2       0.363   0.493   5.995  1.00  0.00           C  
ATOM     21  CG1 VAL A   2      -0.442   0.952   7.211  1.00  0.00           C  
ATOM     22  CG2 VAL A   2       0.912  -0.912   6.247  1.00  0.00           C  
ATOM     23  O   VAL A   2      -2.713  -0.080   5.491  1.00  0.00           O  
ATOM     24  OXT VAL A   2      -1.565  -1.771   4.649  1.00  0.00           O  
HETATM   25  H   UNK A   1      -0.945  -1.520  -5.942  1.00  0.00           H  
HETATM   26  H   UNK A   1      -1.738   0.530  -4.796  1.00  0.00           H  
HETATM   27  H   UNK A   1      -0.169   1.311  -5.106  1.00  0.00           H  
HETATM   28  H   UNK A   1       0.969  -0.457  -3.794  1.00  0.00           H  
HETATM   29  H   UNK A   1      -0.599  -1.238  -3.484  1.00  0.00           H  
HETATM   30  H   UNK A   1      -1.393   0.812  -2.338  1.00  0.00           H  
HETATM   31  H   UNK A   1       0.175   1.592  -2.648  1.00  0.00           H  
HETATM   32  H   UNK A   1      -0.271   1.516   0.008  1.00  0.00           H  
HETATM   33  H   UNK A   1       0.638  -1.058   1.080  1.00  0.00           H  
HETATM   34  H   UNK A   1       1.416   0.103  -6.460  1.00  0.00           H  
HETATM   35  H   UNK A   1       1.347  -1.127  -5.411  1.00  0.00           H  
HETATM   36  H   UNK A   1       2.221   1.528   1.426  1.00  0.00           H  
HETATM   37  H   UNK A   1       2.568  -0.017   2.238  1.00  0.00           H  
HETATM   38  H   UNK A   1       4.336   0.352   0.238  1.00  0.00           H  
HETATM   39  H   UNK A   1      -2.643   0.250  -8.517  1.00  0.00           H  
ATOM     40  H   VAL A   2       0.974  -0.577   3.710  1.00  0.00           H  
ATOM     41  HA  VAL A   2      -0.933   1.474   4.581  1.00  0.00           H  
ATOM     42  HB  VAL A   2       1.191   1.182   5.826  1.00  0.00           H  
ATOM     43 HG11 VAL A   2       0.202   0.966   8.090  1.00  0.00           H  
ATOM     44 HG12 VAL A   2      -0.834   1.953   7.031  1.00  0.00           H  
ATOM     45 HG13 VAL A   2      -1.270   0.263   7.380  1.00  0.00           H  
ATOM     46 HG21 VAL A   2       0.084  -1.601   6.416  1.00  0.00           H  
ATOM     47 HG22 VAL A   2       1.486  -1.239   5.380  1.00  0.00           H  
ATOM     48 HG23 VAL A   2       1.557  -0.897   7.126  1.00  0.00           H  
ATOM     49  HXT VAL A   2      -2.300  -2.382   4.798  1.00  0.00           H  
CONECT    1    2   15   16   16                                       
CONECT    2    1    3   10   25                                       
CONECT    3    2    4   26   27                                       
CONECT    4    3    5   28   29                                       
CONECT    5    4    6   30   31                                       
CONECT    6    5    7   11   11                                       
CONECT    7    6    8   32                                            
CONECT    8    7    9   12   33                                       
CONECT    9    8   14   14   17                                       
CONECT   10    2   34   35                                            
CONECT   11    6    6                                                 
CONECT   12    8   13   36   37                                       
CONECT   13   12   38                                                 
CONECT   14    9    9                                                 
CONECT   15    1   39                                                 
CONECT   16    1    1                                                 
CONECT   17    9   18   40                                            
CONECT   18   17   19   20   41                                       
CONECT   19   18   23   23   24                                       
CONECT   20   18   21   22   42                                       
CONECT   21   20   43   44   45                                       
CONECT   22   20   46   47   48                                       
CONECT   23   19   19                                                 
CONECT   24   19   49                                                 
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   15                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   24                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
