COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
ATOM      1  N   VAL A   1       2.920   1.465   1.515  1.00  0.00           N  
ATOM      2  CA  VAL A   1       2.309   0.876   0.316  1.00  0.00           C  
ATOM      3  C   VAL A   1       1.668  -0.440   0.675  1.00  0.00           C  
ATOM      4  O   VAL A   1       1.985  -1.010   1.698  1.00  0.00           O  
ATOM      5  CB  VAL A   1       3.387   0.646  -0.745  1.00  0.00           C  
ATOM      6  CG1 VAL A   1       4.012   1.986  -1.136  1.00  0.00           C  
ATOM      7  CG2 VAL A   1       4.470  -0.277  -0.181  1.00  0.00           C  
HETATM    8  C   UNK A   2      -1.307   0.670  -1.613  1.00  0.00           C  
HETATM    9  C   UNK A   2      -1.402   1.965  -2.022  1.00  0.00           C  
HETATM   10  C   UNK A   2      -2.303   2.831  -1.419  1.00  0.00           C  
HETATM   11  C   UNK A   2      -3.112   2.389  -0.399  1.00  0.00           C  
HETATM   12  C   UNK A   2      -3.031   1.062   0.037  1.00  0.00           C  
HETATM   13  C   UNK A   2      -2.125   0.188  -0.568  1.00  0.00           C  
HETATM   14  C   UNK A   2      -3.062  -1.281   0.990  1.00  0.00           C  
HETATM   15  C   UNK A   2      -2.184  -1.142   0.016  1.00  0.00           C  
HETATM   16  C   UNK A   2      -1.310  -2.275  -0.455  1.00  0.00           C  
HETATM   17  C   UNK A   2       0.042  -2.207   0.259  1.00  0.00           C  
HETATM   18  C   UNK A   2       0.884  -3.425  -0.125  1.00  0.00           C  
HETATM   19  C   UNK A   0       2.612   2.898   1.612  1.00  0.00           C  
HETATM   20  N   UNK A   2       0.743  -0.984  -0.141  1.00  0.00           N  
HETATM   21  O   UNK A   2       0.993  -3.500  -1.548  1.00  0.00           O  
HETATM   22  S   UNK A   2      -3.920   0.216   1.297  1.00  0.00           S  
ATOM     23  H   VAL A   1       2.629   0.975   2.348  1.00  0.00           H  
ATOM     24  HA  VAL A   1       1.552   1.554  -0.076  1.00  0.00           H  
ATOM     25  HB  VAL A   1       2.938   0.184  -1.624  1.00  0.00           H  
ATOM     26 HG11 VAL A   1       4.395   2.482  -0.244  1.00  0.00           H  
ATOM     27 HG12 VAL A   1       4.830   1.815  -1.836  1.00  0.00           H  
ATOM     28 HG13 VAL A   1       3.257   2.616  -1.606  1.00  0.00           H  
ATOM     29 HG21 VAL A   1       4.042  -1.260   0.017  1.00  0.00           H  
ATOM     30 HG22 VAL A   1       5.280  -0.371  -0.904  1.00  0.00           H  
ATOM     31 HG23 VAL A   1       4.858   0.144   0.747  1.00  0.00           H  
HETATM   32  H   UNK A   2      -0.605   0.005  -2.094  1.00  0.00           H  
HETATM   33  H   UNK A   2      -0.771   2.321  -2.822  1.00  0.00           H  
HETATM   34  H   UNK A   2      -2.369   3.857  -1.752  1.00  0.00           H  
HETATM   35  H   UNK A   2      -3.811   3.067   0.068  1.00  0.00           H  
HETATM   36  H   UNK A   2      -3.233  -2.202   1.529  1.00  0.00           H  
HETATM   37  H   UNK A   2      -1.792  -3.226  -0.227  1.00  0.00           H  
HETATM   38  H   UNK A   2      -1.157  -2.194  -1.531  1.00  0.00           H  
HETATM   39  H   UNK A   2      -0.116  -2.199   1.337  1.00  0.00           H  
HETATM   40  H   UNK A   2       1.878  -3.332   0.312  1.00  0.00           H  
HETATM   41  H   UNK A   2       0.405  -4.330   0.251  1.00  0.00           H  
HETATM   42  H   UNK A   0       2.933   3.402   0.701  1.00  0.00           H  
HETATM   43  H   UNK A   0       1.537   3.031   1.741  1.00  0.00           H  
HETATM   44  H   UNK A   0       3.135   3.326   2.468  1.00  0.00           H  
HETATM   45  H   UNK A   2       0.542  -0.565  -0.993  1.00  0.00           H  
HETATM   46  H   UNK A   2       1.515  -4.251  -1.863  1.00  0.00           H  
CONECT    1    2   19   23                                            
CONECT    2    1    3    5   24                                       
CONECT    3    2    4    4   20                                       
CONECT    4    3    3                                                 
CONECT    5    2    6    7   25                                       
CONECT    6    5   26   27   28                                       
CONECT    7    5   29   30   31                                       
CONECT    8    9   13   13   32                                       
CONECT    9    8   10   10   33                                       
CONECT   10    9    9   11   34                                       
CONECT   11   10   12   12   35                                       
CONECT   12   11   11   13   22                                       
CONECT   13    8    8   12   15                                       
CONECT   14   15   15   22   36                                       
CONECT   15   13   14   14   16                                       
CONECT   16   15   17   37   38                                       
CONECT   17   16   18   20   39                                       
CONECT   18   17   21   40   41                                       
CONECT   19    1   42   43   44                                       
CONECT   20    3   17   45                                            
CONECT   21   18   46                                                 
CONECT   22   12   14                                                 
CONECT   23    1                                                      
CONECT   24    2                                                      
CONECT   25    5                                                      
CONECT   26    6                                                      
CONECT   27    6                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   14                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
