COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNK A   0       5.532  -2.708  -0.748  1.00  0.00          Cl  
HETATM    2  C   UNK A   0       4.225  -1.851   0.007  1.00  0.00           C  
HETATM    3  C   UNK A   0       2.926  -2.299  -0.146  1.00  0.00           C  
HETATM    4  C   UNK A   0       1.881  -1.610   0.454  1.00  0.00           C  
HETATM    5  C   UNK A   0       2.145  -0.478   1.215  1.00  0.00           C  
HETATM    6  C   UNK A   0       3.445  -0.039   1.370  1.00  0.00           C  
HETATM    7  C   UNK A   0       4.484  -0.724   0.767  1.00  0.00           C  
HETATM    8  N   UNK A   0       0.565  -2.056   0.296  1.00  0.00           N  
HETATM    9  C   UNK A   0      -0.465  -1.141   0.165  1.00  0.00           C  
HETATM   10  C   UNK A   0      -1.804  -1.568   0.125  1.00  0.00           C  
HETATM   11  N   UNK A   0      -2.420  -2.774   0.188  1.00  0.00           N  
HETATM   12  C   UNK A   0      -2.809  -0.596  -0.009  1.00  0.00           C  
HETATM   13  N   UNK A   0      -3.998  -1.281  -0.020  1.00  0.00           N  
HETATM   14  C   UNK A   0      -5.335  -0.694  -0.141  1.00  0.00           C  
HETATM   15  C   UNK A   0      -6.024  -1.248  -1.390  1.00  0.00           C  
HETATM   16  C   UNK A   0      -6.162  -1.049   1.097  1.00  0.00           C  
HETATM   17  C   UNK A   0      -3.707  -2.608   0.103  1.00  0.00           C  
HETATM   18  N   UNK A   0      -2.465   0.685  -0.088  1.00  0.00           N  
HETATM   19  C   UNK A   0      -1.192   1.044  -0.051  1.00  0.00           C  
HETATM   20  N   UNK A   0      -0.211   0.160   0.074  1.00  0.00           N  
ATOM     21  N   VAL A   1      -0.873   2.389  -0.142  1.00  0.00           N  
ATOM     22  CA  VAL A   1       0.528   2.814  -0.098  1.00  0.00           C  
ATOM     23  CB  VAL A   1       0.608   4.257   0.403  1.00  0.00           C  
ATOM     24  CG1 VAL A   1       0.005   4.344   1.806  1.00  0.00           C  
ATOM     25  CG2 VAL A   1       2.071   4.701   0.449  1.00  0.00           C  
ATOM     26  C   VAL A   1       1.132   2.727  -1.501  1.00  0.00           C  
ATOM     27  O   VAL A   1       0.479   3.664  -2.359  1.00  0.00           O  
HETATM   28  H   UNK A   0       2.724  -3.179  -0.739  1.00  0.00           H  
HETATM   29  H   UNK A   0       1.334   0.058   1.686  1.00  0.00           H  
HETATM   30  H   UNK A   0       3.651   0.841   1.961  1.00  0.00           H  
HETATM   31  H   UNK A   0       5.500  -0.379   0.889  1.00  0.00           H  
HETATM   32  H   UNK A   0       0.375  -3.007   0.279  1.00  0.00           H  
HETATM   33  H   UNK A   0      -5.250   0.389  -0.223  1.00  0.00           H  
HETATM   34  H   UNK A   0      -6.109  -2.331  -1.308  1.00  0.00           H  
HETATM   35  H   UNK A   0      -7.019  -0.811  -1.480  1.00  0.00           H  
HETATM   36  H   UNK A   0      -5.435  -0.995  -2.272  1.00  0.00           H  
HETATM   37  H   UNK A   0      -7.156  -0.612   1.007  1.00  0.00           H  
HETATM   38  H   UNK A   0      -6.246  -2.132   1.179  1.00  0.00           H  
HETATM   39  H   UNK A   0      -5.671  -0.654   1.987  1.00  0.00           H  
HETATM   40  H   UNK A   0      -4.438  -3.403   0.126  1.00  0.00           H  
ATOM     41  H   VAL A   1      -1.577   3.049  -0.234  1.00  0.00           H  
ATOM     42  HA  VAL A   1       1.084   2.163   0.578  1.00  0.00           H  
ATOM     43  HB  VAL A   1       0.052   4.907  -0.272  1.00  0.00           H  
ATOM     44 HG11 VAL A   1       0.062   5.372   2.163  1.00  0.00           H  
ATOM     45 HG12 VAL A   1      -1.038   4.028   1.774  1.00  0.00           H  
ATOM     46 HG13 VAL A   1       0.561   3.694   2.482  1.00  0.00           H  
ATOM     47 HG21 VAL A   1       2.628   4.051   1.124  1.00  0.00           H  
ATOM     48 HG22 VAL A   1       2.501   4.639  -0.551  1.00  0.00           H  
ATOM     49 HG23 VAL A   1       2.128   5.729   0.805  1.00  0.00           H  
ATOM     50  H1  VAL A   1       2.196   2.957  -1.454  1.00  0.00           H  
ATOM     51  H2  VAL A   1       0.995   1.719  -1.894  1.00  0.00           H  
ATOM     52  H   VAL A   1       0.888   3.577  -3.231  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3    7                                       
CONECT    3    2    2    4   28                                       
CONECT    4    3    5    5    8                                       
CONECT    5    4    4    6   29                                       
CONECT    6    5    7    7   30                                       
CONECT    7    2    6    6   31                                       
CONECT    8    4    9   32                                            
CONECT    9    8   10   10   20                                       
CONECT   10    9    9   11   12                                       
CONECT   11   10   17   17                                            
CONECT   12   10   13   18   18                                       
CONECT   13   12   14   17                                            
CONECT   14   13   15   16   33                                       
CONECT   15   14   34   35   36                                       
CONECT   16   14   37   38   39                                       
CONECT   17   11   11   13   40                                       
CONECT   18   12   12   19                                            
CONECT   19   18   20   20   21                                       
CONECT   20    9   19   19                                            
CONECT   21   19   22   41                                            
CONECT   22   21   23   26   42                                       
CONECT   23   22   24   25   43                                       
CONECT   24   23   44   45   46                                       
CONECT   25   23   47   48   49                                       
CONECT   26   22   27   50   51                                       
CONECT   27   26   52                                                 
CONECT   28    3                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33   14                                                      
CONECT   34   15                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
