COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
ATOM      1  C   VAL A   1      -8.046  -2.873   0.054  1.00  0.00           C  
ATOM      2  N   VAL A   1      -5.743  -2.107   0.011  1.00  0.00           N  
ATOM      3  O   VAL A   1      -7.572  -3.984   0.084  1.00  0.00           O  
ATOM      4  CA  VAL A   1      -7.141  -1.668   0.009  1.00  0.00           C  
ATOM      5  CB  VAL A   1      -7.401  -0.789   1.234  1.00  0.00           C  
HETATM    6  C   UNK A   0       0.407   3.818  -0.367  1.00  0.00           C  
HETATM    7  N   UNK A   0       1.133   2.955   0.576  1.00  0.00           N  
HETATM    8  C   UNK A   0       2.122   2.127   0.187  1.00  0.00           C  
HETATM    9  O   UNK A   0       2.507   2.141  -0.964  1.00  0.00           O  
HETATM   10  C   UNK A   0       2.750   1.183   1.180  1.00  0.00           C  
HETATM   11  C   UNK A   0       3.838   0.362   0.485  1.00  0.00           C  
HETATM   12  N   UNK A   0       3.225  -0.499  -0.535  1.00  0.00           N  
HETATM   13  C   UNK A   0       4.560  -0.506   1.518  1.00  0.00           C  
HETATM   14  C   UNK A   0       5.710  -1.222   0.858  1.00  0.00           C  
HETATM   15  C   UNK A   0       6.997  -0.738   0.997  1.00  0.00           C  
HETATM   16  C   UNK A   0       8.053  -1.394   0.391  1.00  0.00           C  
HETATM   17  F   UNK A   0       9.311  -0.921   0.527  1.00  0.00           F  
HETATM   18  C   UNK A   0       7.820  -2.539  -0.357  1.00  0.00           C  
HETATM   19  F   UNK A   0       8.851  -3.181  -0.948  1.00  0.00           F  
HETATM   20  C   UNK A   0       6.532  -3.023  -0.496  1.00  0.00           C  
HETATM   21  C   UNK A   0       5.477  -2.368   0.116  1.00  0.00           C  
HETATM   22  F   UNK A   0       4.219  -2.844  -0.015  1.00  0.00           F  
HETATM   23  C   UNK A   0      -0.218   2.990  -1.460  1.00  0.00           C  
HETATM   24  O   UNK A   0       0.153   3.119  -2.607  1.00  0.00           O  
HETATM   25  N   UNK A   0      -1.191   2.106  -1.161  1.00  0.00           N  
HETATM   26  C   UNK A   0      -1.722   1.223  -2.203  1.00  0.00           C  
HETATM   27  C   UNK A   0      -4.110   0.754  -1.617  1.00  0.00           C  
HETATM   28  C   UNK A   0      -2.791   0.338  -1.614  1.00  0.00           C  
HETATM   29  C   UNK A   0      -2.450  -0.888  -1.072  1.00  0.00           C  
HETATM   30  C   UNK A   0      -3.427  -1.701  -0.533  1.00  0.00           C  
HETATM   31  C   UNK A   0      -4.753  -1.287  -0.534  1.00  0.00           C  
HETATM   32  C   UNK A   0       0.703   3.063   1.969  1.00  0.00           C  
HETATM   33  C   UNK A   0      -0.810   3.415   2.019  1.00  0.00           C  
HETATM   34  S   UNK A   0      -0.893   4.634   0.639  1.00  0.00           S  
HETATM   35  C   UNK A   0      -5.091  -0.055  -1.078  1.00  0.00           C  
ATOM     36  CG1 VAL A   1      -7.002  -1.549   2.501  1.00  0.00           C  
ATOM     37  CG2 VAL A   1      -6.574   0.493   1.127  1.00  0.00           C  
ATOM     38  OXT VAL A   1      -9.378  -2.711   0.054  1.00  0.00           O  
ATOM     39  H   VAL A   1      -5.505  -2.968   0.391  1.00  0.00           H  
ATOM     40  HA  VAL A   1      -7.341  -1.097  -0.897  1.00  0.00           H  
ATOM     41  HB  VAL A   1      -8.460  -0.536   1.281  1.00  0.00           H  
HETATM   42  H   UNK A   0       1.080   4.562  -0.795  1.00  0.00           H  
HETATM   43  H   UNK A   0       3.193   1.755   1.995  1.00  0.00           H  
HETATM   44  H   UNK A   0       1.988   0.514   1.577  1.00  0.00           H  
HETATM   45  H   UNK A   0       4.554   1.033   0.011  1.00  0.00           H  
HETATM   46  H   UNK A   0       2.557  -1.132  -0.121  1.00  0.00           H  
HETATM   47  H   UNK A   0       2.797   0.052  -1.264  1.00  0.00           H  
HETATM   48  H   UNK A   0       4.939   0.125   2.322  1.00  0.00           H  
HETATM   49  H   UNK A   0       3.864  -1.238   1.928  1.00  0.00           H  
HETATM   50  H   UNK A   0       7.178   0.154   1.579  1.00  0.00           H  
HETATM   51  H   UNK A   0       6.349  -3.915  -1.077  1.00  0.00           H  
HETATM   52  H   UNK A   0      -1.539   2.054  -0.257  1.00  0.00           H  
HETATM   53  H   UNK A   0      -2.150   1.824  -3.005  1.00  0.00           H  
HETATM   54  H   UNK A   0      -0.918   0.605  -2.601  1.00  0.00           H  
HETATM   55  H   UNK A   0      -4.372   1.714  -2.036  1.00  0.00           H  
HETATM   56  H   UNK A   0      -1.419  -1.210  -1.072  1.00  0.00           H  
HETATM   57  H   UNK A   0      -3.160  -2.659  -0.110  1.00  0.00           H  
HETATM   58  H   UNK A   0       0.872   2.113   2.476  1.00  0.00           H  
HETATM   59  H   UNK A   0       1.275   3.846   2.466  1.00  0.00           H  
HETATM   60  H   UNK A   0      -1.428   2.541   1.813  1.00  0.00           H  
HETATM   61  H   UNK A   0      -1.080   3.874   2.970  1.00  0.00           H  
HETATM   62  H   UNK A   0      -6.121   0.271  -1.080  1.00  0.00           H  
ATOM     63 HG11 VAL A   1      -5.943  -1.802   2.454  1.00  0.00           H  
ATOM     64 HG12 VAL A   1      -7.188  -0.923   3.374  1.00  0.00           H  
ATOM     65 HG13 VAL A   1      -7.591  -2.463   2.578  1.00  0.00           H  
ATOM     66 HG21 VAL A   1      -6.858   1.034   0.224  1.00  0.00           H  
ATOM     67 HG22 VAL A   1      -6.760   1.120   1.999  1.00  0.00           H  
ATOM     68 HG23 VAL A   1      -5.515   0.240   1.080  1.00  0.00           H  
ATOM     69  HXT VAL A   1      -9.917  -3.514   0.080  1.00  0.00           H  
CONECT    1    3    3    4   38                                       
CONECT    2    4   31   39                                            
CONECT    3    1    1                                                 
CONECT    4    1    2    5   40                                       
CONECT    5    4   36   37   41                                       
CONECT    6    7   23   34   42                                       
CONECT    7    6    8   32                                            
CONECT    8    7    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   43   44                                       
CONECT   11   10   12   13   45                                       
CONECT   12   11   46   47                                            
CONECT   13   11   14   48   49                                       
CONECT   14   13   15   15   21                                       
CONECT   15   14   14   16   50                                       
CONECT   16   15   17   18   18                                       
CONECT   17   16                                                      
CONECT   18   16   16   19   20                                       
CONECT   19   18                                                      
CONECT   20   18   21   21   51                                       
CONECT   21   14   20   20   22                                       
CONECT   22   21                                                      
CONECT   23    6   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   52                                            
CONECT   26   25   28   53   54                                       
CONECT   27   28   28   35   55                                       
CONECT   28   26   27   27   29                                       
CONECT   29   28   30   30   56                                       
CONECT   30   29   29   31   57                                       
CONECT   31    2   30   35   35                                       
CONECT   32    7   33   58   59                                       
CONECT   33   32   34   60   61                                       
CONECT   34    6   33                                                 
CONECT   35   27   31   31   62                                       
CONECT   36    5   63   64   65                                       
CONECT   37    5   66   67   68                                       
CONECT   38    1   69                                                 
CONECT   39    2                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   15                                                      
CONECT   51   20                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   29                                                      
CONECT   57   30                                                      
CONECT   58   32                                                      
CONECT   59   32                                                      
CONECT   60   33                                                      
CONECT   61   33                                                      
CONECT   62   35                                                      
CONECT   63   36                                                      
CONECT   64   36                                                      
CONECT   65   36                                                      
CONECT   66   37                                                      
CONECT   67   37                                                      
CONECT   68   37                                                      
CONECT   69   38                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
