COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
ATOM      1  O   VAL A   2       4.150   2.306   1.075  1.00  0.00           O  
ATOM      2  C   VAL A   2       4.942   1.863   0.277  1.00  0.00           C  
ATOM      3  OXT VAL A   2       5.969   2.619  -0.140  1.00  0.00           O  
ATOM      4  CA  VAL A   2       4.779   0.459  -0.245  1.00  0.00           C  
ATOM      5  CB  VAL A   2       6.018  -0.364   0.110  1.00  0.00           C  
ATOM      6  N   VAL A   2       3.595  -0.154   0.363  1.00  0.00           N  
HETATM    7  C   UNK A   1       2.378   0.050  -0.178  1.00  0.00           C  
HETATM    8  O   UNK A   1       2.262   0.741  -1.168  1.00  0.00           O  
HETATM    9  C   UNK A   1       1.160  -0.580   0.447  1.00  0.00           C  
HETATM   10  C   UNK A   1       1.313  -2.079   0.444  1.00  0.00           C  
HETATM   11  S   UNK A   1       0.250  -2.990  -0.329  1.00  0.00           S  
HETATM   12  N   UNK A   1      -0.031  -0.209  -0.322  1.00  0.00           N  
HETATM   13  C   UNK A   1      -1.241  -0.205   0.272  1.00  0.00           C  
HETATM   14  O   UNK A   1      -1.344  -0.507   1.442  1.00  0.00           O  
HETATM   15  C   UNK A   1      -2.466   0.177  -0.519  1.00  0.00           C  
HETATM   16  C   UNK A   1      -3.700   0.101   0.384  1.00  0.00           C  
HETATM   17  C   UNK A   1      -4.943   0.489  -0.419  1.00  0.00           C  
HETATM   18  C   UNK A   1      -6.176   0.413   0.484  1.00  0.00           C  
HETATM   19  N   UNK A   1      -6.398  -0.980   0.895  1.00  0.00           N  
HETATM   20  C   UNK A   1      -7.382   0.911  -0.270  1.00  0.00           C  
HETATM   21  O   UNK A   1      -8.156   0.124  -0.762  1.00  0.00           O  
HETATM   22  O   UNK A   1      -7.597   2.230  -0.396  1.00  0.00           O  
ATOM     23  HXT VAL A   2       6.034   3.512   0.226  1.00  0.00           H  
ATOM     24  HA  VAL A   2       4.658   0.486  -1.328  1.00  0.00           H  
ATOM     25  HB  VAL A   2       6.139  -0.391   1.193  1.00  0.00           H  
ATOM     26  H   VAL A   2       3.687  -0.707   1.154  1.00  0.00           H  
HETATM   27  H   UNK A   1       1.055  -0.228   1.473  1.00  0.00           H  
HETATM   28  H   UNK A   1       2.140  -2.539   0.964  1.00  0.00           H  
HETATM   29  H   UNK A   1       0.051   0.033  -1.257  1.00  0.00           H  
HETATM   30  H   UNK A   1      -2.354   1.194  -0.895  1.00  0.00           H  
HETATM   31  H   UNK A   1      -2.586  -0.509  -1.357  1.00  0.00           H  
HETATM   32  H   UNK A   1      -3.812  -0.915   0.760  1.00  0.00           H  
HETATM   33  H   UNK A   1      -3.579   0.788   1.222  1.00  0.00           H  
HETATM   34  H   UNK A   1      -4.831   1.505  -0.795  1.00  0.00           H  
HETATM   35  H   UNK A   1      -5.063  -0.198  -1.257  1.00  0.00           H  
HETATM   36  H   UNK A   1      -6.019   1.032   1.367  1.00  0.00           H  
HETATM   37  H   UNK A   1      -7.168  -1.048   1.543  1.00  0.00           H  
HETATM   38  H   UNK A   1      -6.546  -1.574   0.093  1.00  0.00           H  
HETATM   39  H   UNK A   1      -8.384   2.502  -0.888  1.00  0.00           H  
ATOM     40  CG1 VAL A   2       5.853  -1.790  -0.420  1.00  0.00           C  
ATOM     41  CG2 VAL A   2       7.255   0.275  -0.525  1.00  0.00           C  
ATOM     42 HG11 VAL A   2       6.736  -2.377  -0.167  1.00  0.00           H  
ATOM     43 HG12 VAL A   2       4.972  -2.246   0.032  1.00  0.00           H  
ATOM     44 HG13 VAL A   2       5.733  -1.763  -1.503  1.00  0.00           H  
ATOM     45 HG21 VAL A   2       7.373   1.291  -0.147  1.00  0.00           H  
ATOM     46 HG22 VAL A   2       8.138  -0.311  -0.272  1.00  0.00           H  
ATOM     47 HG23 VAL A   2       7.135   0.302  -1.608  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   23                                                 
CONECT    4    2    6    5   24                                       
CONECT    5    4   25   40   41                                       
CONECT    6    7    4   26                                            
CONECT    7    9    6    8    8                                       
CONECT    8    7    7                                                 
CONECT    9   12   10    7   27                                       
CONECT   10    9   11   11   28                                       
CONECT   11   10   10                                                 
CONECT   12   13    9   29                                            
CONECT   13   14   14   15   12                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   30   31                                       
CONECT   16   17   15   32   33                                       
CONECT   17   18   16   34   35                                       
CONECT   18   19   20   17   36                                       
CONECT   19   18   37   38                                            
CONECT   20   21   21   18   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   39                                                 
CONECT   23    3                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    6                                                      
CONECT   27    9                                                      
CONECT   28   10                                                      
CONECT   29   12                                                      
CONECT   30   15                                                      
CONECT   31   15                                                      
CONECT   32   16                                                      
CONECT   33   16                                                      
CONECT   34   17                                                      
CONECT   35   17                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   19                                                      
CONECT   39   22                                                      
CONECT   40    5   42   43   44                                       
CONECT   41    5   45   46   47                                       
CONECT   42   40                                                      
CONECT   43   40                                                      
CONECT   44   40                                                      
CONECT   45   41                                                      
CONECT   46   41                                                      
CONECT   47   41                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
