COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   1      -1.265  -0.007   0.042  1.00  0.00           C  
HETATM    2  O   UNK A   1      -1.342  -0.573   1.112  1.00  0.00           O  
HETATM    3  O   UNK A   1      -8.198   0.607  -0.692  1.00  0.00           O  
HETATM    4  C   UNK A   1      -2.504   0.558  -0.603  1.00  0.00           C  
HETATM    5  C   UNK A   1      -7.401   1.252  -0.052  1.00  0.00           C  
HETATM    6  C   UNK A   1      -6.184   0.582   0.530  1.00  0.00           C  
HETATM    7  C   UNK A   1      -4.973   0.857  -0.364  1.00  0.00           C  
HETATM    8  C   UNK A   1      -3.715   0.283   0.291  1.00  0.00           C  
HETATM    9  N   UNK A   1      -6.414  -0.867   0.612  1.00  0.00           N  
HETATM   10  O   UNK A   1      -7.601   2.566   0.138  1.00  0.00           O  
HETATM   11  N   UNK A   1      -0.070   0.122  -0.567  1.00  0.00           N  
HETATM   12  C   UNK A   1       1.135  -0.427   0.060  1.00  0.00           C  
HETATM   13  C   UNK A   1       1.273  -1.906  -0.308  1.00  0.00           C  
HETATM   14  C   UNK A   1       0.108  -2.692   0.297  1.00  0.00           C  
HETATM   15  S   UNK A   1       0.270  -4.445  -0.139  1.00  0.00           S  
HETATM   16  C   UNK A   1       2.345   0.327  -0.430  1.00  0.00           C  
HETATM   17  O   UNK A   1       2.213   1.234  -1.225  1.00  0.00           O  
ATOM     18  N   VAL A   2       3.572  -0.006   0.015  1.00  0.00           N  
ATOM     19  CA  VAL A   2       4.748   0.727  -0.462  1.00  0.00           C  
ATOM     20  CB  VAL A   2       5.986  -0.164  -0.344  1.00  0.00           C  
ATOM     21  CG1 VAL A   2       7.214   0.601  -0.842  1.00  0.00           C  
ATOM     22  CG2 VAL A   2       6.192  -0.562   1.119  1.00  0.00           C  
ATOM     23  C   VAL A   2       4.940   1.966   0.374  1.00  0.00           C  
ATOM     24  OXT VAL A   2       4.173   2.212   1.275  1.00  0.00           O  
ATOM     25  O   VAL A   2       5.963   2.797   0.117  1.00  0.00           O  
HETATM   26  H   UNK A   1      -2.387   1.634  -0.735  1.00  0.00           H  
HETATM   27  H   UNK A   1      -2.655   0.087  -1.574  1.00  0.00           H  
HETATM   28  H   UNK A   1      -5.995   0.977   1.529  1.00  0.00           H  
HETATM   29  H   UNK A   1      -5.124   0.386  -1.335  1.00  0.00           H  
HETATM   30  H   UNK A   1      -4.856   1.932  -0.496  1.00  0.00           H  
HETATM   31  H   UNK A   1      -3.832  -0.792   0.424  1.00  0.00           H  
HETATM   32  H   UNK A   1      -3.564   0.755   1.262  1.00  0.00           H  
HETATM   33  H   UNK A   1      -7.168  -1.078   1.248  1.00  0.00           H  
HETATM   34  H   UNK A   1      -6.591  -1.256  -0.302  1.00  0.00           H  
HETATM   35  H   UNK A   1      -8.396   2.951  -0.255  1.00  0.00           H  
HETATM   36  H   UNK A   1      -0.007   0.579  -1.421  1.00  0.00           H  
HETATM   37  H   UNK A   1       1.059  -0.327   1.143  1.00  0.00           H  
HETATM   38  H   UNK A   1       1.260  -2.013  -1.392  1.00  0.00           H  
HETATM   39  H   UNK A   1       2.214  -2.292   0.084  1.00  0.00           H  
HETATM   40  H   UNK A   1       0.120  -2.584   1.382  1.00  0.00           H  
HETATM   41  H   UNK A   1      -0.834  -2.306  -0.095  1.00  0.00           H  
HETATM   42  H   UNK A   1      -0.803  -5.004   0.449  1.00  0.00           H  
ATOM     43  H   VAL A   2       3.678  -0.731   0.650  1.00  0.00           H  
ATOM     44  HA  VAL A   2       4.602   1.010  -1.504  1.00  0.00           H  
ATOM     45  HB  VAL A   2       5.848  -1.061  -0.948  1.00  0.00           H  
ATOM     46 HG11 VAL A   2       7.353   1.498  -0.237  1.00  0.00           H  
ATOM     47 HG12 VAL A   2       8.097  -0.034  -0.758  1.00  0.00           H  
ATOM     48 HG13 VAL A   2       7.068   0.884  -1.884  1.00  0.00           H  
ATOM     49 HG21 VAL A   2       6.330   0.335   1.723  1.00  0.00           H  
ATOM     50 HG22 VAL A   2       5.317  -1.107   1.473  1.00  0.00           H  
ATOM     51 HG23 VAL A   2       7.074  -1.197   1.203  1.00  0.00           H  
ATOM     52  H   VAL A   2       6.045   3.579   0.680  1.00  0.00           H  
CONECT    1   11    2    2    4                                       
CONECT    2    1    1                                                 
CONECT    3    5    5                                                 
CONECT    4    1    8   26   27                                       
CONECT    5    3    3   10    6                                       
CONECT    6    9    7    5   28                                       
CONECT    7    8    6   29   30                                       
CONECT    8    4    7   31   32                                       
CONECT    9    6   33   34                                            
CONECT   10    5   35                                                 
CONECT   11   12    1   36                                            
CONECT   12   11   16   13   37                                       
CONECT   13   12   14   38   39                                       
CONECT   14   15   13   40   41                                       
CONECT   15   14   42                                                 
CONECT   16   18   17   17   12                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   43                                            
CONECT   19   18   20   23   44                                       
CONECT   20   21   19   22   45                                       
CONECT   21   20   46   47   48                                       
CONECT   22   20   49   50   51                                       
CONECT   23   19   25   24   24                                       
CONECT   24   23   23                                                 
CONECT   25   23   52                                                 
CONECT   26    4                                                      
CONECT   27    4                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   22                                                      
CONECT   51   22                                                      
CONECT   52   25                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
