COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
ATOM      1  O   VAL A   2       2.449  -4.547  -0.768  1.00  0.00           O  
ATOM      2  C   VAL A   2       3.406  -3.818  -0.536  1.00  0.00           C  
ATOM      3  OXT VAL A   2       4.212  -3.983   0.541  1.00  0.00           O  
ATOM      4  CA  VAL A   2       3.848  -2.680  -1.439  1.00  0.00           C  
ATOM      5  CB  VAL A   2       2.749  -1.654  -1.569  1.00  0.00           C  
ATOM      6  CG1 VAL A   2       2.193  -1.389  -2.763  1.00  0.00           C  
ATOM      7  CG2 VAL A   2       2.275  -0.946  -0.328  1.00  0.00           C  
ATOM      8  N   VAL A   2       5.068  -2.053  -0.988  1.00  0.00           N  
HETATM    9  C   UNK A   1       6.016  -1.542  -1.863  1.00  0.00           C  
HETATM   10  O   UNK A   1       5.924  -1.567  -3.089  1.00  0.00           O  
HETATM   11  C   UNK A   1       7.198  -0.909  -1.131  1.00  0.00           C  
HETATM   12  C   UNK A   1       6.792   0.239  -0.203  1.00  0.00           C  
HETATM   13  S   UNK A   1       5.995   1.633  -1.066  1.00  0.00           S  
HETATM   14  N   UNK A   1       8.189  -0.509  -2.101  1.00  0.00           N  
HETATM   15  C   UNK A   1       9.549  -0.574  -1.834  1.00  0.00           C  
HETATM   16  O   UNK A   1      10.041  -0.967  -0.780  1.00  0.00           O  
HETATM   17  C   UNK A   1      10.374  -0.096  -3.015  1.00  0.00           C  
HETATM   18  C   UNK A   1      11.876  -0.160  -2.741  1.00  0.00           C  
HETATM   19  C   UNK A   1      12.680   0.371  -3.936  1.00  0.00           C  
HETATM   20  C   UNK A   1      14.201   0.391  -3.723  1.00  0.00           C  
HETATM   21  N   UNK A   1      14.735  -0.958  -3.548  1.00  0.00           N  
HETATM   22  C   UNK A   1      14.599   1.219  -2.518  1.00  0.00           C  
HETATM   23  O   UNK A   1      15.198   0.819  -1.530  1.00  0.00           O  
HETATM   24  O   UNK A   1      14.209   2.511  -2.679  1.00  0.00           O  
ATOM     25  HXT VAL A   2       3.934  -4.744   1.094  1.00  0.00           H  
ATOM     26  HA  VAL A   2       4.092  -3.130  -2.409  1.00  0.00           H  
ATOM     27 HG11 VAL A   2       2.524  -1.891  -3.666  1.00  0.00           H  
ATOM     28 HG12 VAL A   2       1.394  -0.662  -2.865  1.00  0.00           H  
ATOM     29 HG21 VAL A   2       1.961  -1.666   0.433  1.00  0.00           H  
ATOM     30 HG22 VAL A   2       1.419  -0.293  -0.531  1.00  0.00           H  
ATOM     31 HG23 VAL A   2       3.070  -0.320   0.089  1.00  0.00           H  
ATOM     32  H   VAL A   2       5.247  -2.028   0.012  1.00  0.00           H  
HETATM   33  H   UNK A   1       7.674  -1.694  -0.530  1.00  0.00           H  
HETATM   34  H   UNK A   1       6.095  -0.114   0.563  1.00  0.00           H  
HETATM   35  H   UNK A   1       7.675   0.634   0.310  1.00  0.00           H  
HETATM   36  H   UNK A   1       4.970   1.752  -0.212  1.00  0.00           H  
HETATM   37  H   UNK A   1       7.869  -0.160  -3.000  1.00  0.00           H  
HETATM   38  H   UNK A   1      10.079   0.936  -3.243  1.00  0.00           H  
HETATM   39  H   UNK A   1      10.125  -0.718  -3.882  1.00  0.00           H  
HETATM   40  H   UNK A   1      12.160  -1.197  -2.526  1.00  0.00           H  
HETATM   41  H   UNK A   1      12.106   0.426  -1.843  1.00  0.00           H  
HETATM   42  H   UNK A   1      12.452  -0.240  -4.819  1.00  0.00           H  
HETATM   43  H   UNK A   1      12.335   1.387  -4.169  1.00  0.00           H  
HETATM   44  H   UNK A   1      14.685   0.833  -4.602  1.00  0.00           H  
HETATM   45  H   UNK A   1      14.798  -1.320  -2.622  1.00  0.00           H  
HETATM   46  H   UNK A   1      15.200  -1.381  -4.322  1.00  0.00           H  
HETATM   47  H   UNK A   1      14.468   3.069  -1.914  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   25                                                 
CONECT    4    2    5    8   26                                       
CONECT    5    4    6    6    7                                       
CONECT    6    5    5   27   28                                       
CONECT    7    5   29   30   31                                       
CONECT    8    4    9   32                                            
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   14   33                                       
CONECT   12   11   13   34   35                                       
CONECT   13   12   36                                                 
CONECT   14   11   15   37                                            
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   38   39                                       
CONECT   18   17   19   40   41                                       
CONECT   19   18   20   42   43                                       
CONECT   20   19   21   22   44                                       
CONECT   21   20   45   46                                            
CONECT   22   20   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   47                                                 
CONECT   25    3                                                      
CONECT   26    4                                                      
CONECT   27    6                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   17                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   24                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
