COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
ATOM      1  CG1 VAL A   1      -5.224   2.960   0.146  1.00  0.00           C  
ATOM      2  CB  VAL A   1      -5.764   1.844   1.043  1.00  0.00           C  
ATOM      3  CG2 VAL A   1      -7.275   2.014   1.216  1.00  0.00           C  
ATOM      4  CA  VAL A   1      -5.473   0.487   0.400  1.00  0.00           C  
ATOM      5  C   VAL A   1      -6.039   0.462  -0.997  1.00  0.00           C  
ATOM      6  O   VAL A   1      -5.308   0.283  -1.942  1.00  0.00           O  
ATOM      7  OXT VAL A   1      -7.356   0.637  -1.191  1.00  0.00           O  
ATOM      8  N   VAL A   1      -4.025   0.273   0.344  1.00  0.00           N  
HETATM    9  C   UNK A   0      -3.530  -0.980   0.305  1.00  0.00           C  
HETATM   10  O   UNK A   0      -4.286  -1.933   0.316  1.00  0.00           O  
HETATM   11  C   UNK A   0      -2.071  -1.196   0.248  1.00  0.00           C  
HETATM   12  C   UNK A   0      -1.556  -2.494   0.208  1.00  0.00           C  
HETATM   13  C   UNK A   0      -0.194  -2.691   0.155  1.00  0.00           C  
HETATM   14  C   UNK A   0      -1.202  -0.102   0.230  1.00  0.00           C  
HETATM   15  C   UNK A   0       0.159  -0.307   0.177  1.00  0.00           C  
HETATM   16  C   UNK A   0       0.668  -1.600   0.143  1.00  0.00           C  
HETATM   17  O   UNK A   0       2.009  -1.799   0.092  1.00  0.00           O  
HETATM   18  C   UNK A   0       2.837  -0.634   0.082  1.00  0.00           C  
HETATM   19  C   UNK A   0       4.307  -1.054   0.022  1.00  0.00           C  
HETATM   20  C   UNK A   0       5.194   0.193   0.012  1.00  0.00           C  
HETATM   21  C   UNK A   0       6.664  -0.227  -0.048  1.00  0.00           C  
HETATM   22  C   UNK A   0       7.551   1.020  -0.058  1.00  0.00           C  
HETATM   23  C   UNK A   0       9.021   0.600  -0.118  1.00  0.00           C  
HETATM   24  C   UNK A   0       9.907   1.847  -0.129  1.00  0.00           C  
HETATM   25  C   UNK A   0      11.377   1.427  -0.188  1.00  0.00           C  
ATOM     26 HG11 VAL A   1      -5.709   2.909  -0.828  1.00  0.00           H  
ATOM     27 HG12 VAL A   1      -5.431   3.927   0.605  1.00  0.00           H  
ATOM     28 HG13 VAL A   1      -4.148   2.839   0.024  1.00  0.00           H  
ATOM     29  HB  VAL A   1      -5.279   1.895   2.018  1.00  0.00           H  
ATOM     30 HG21 VAL A   1      -7.760   1.963   0.241  1.00  0.00           H  
ATOM     31 HG22 VAL A   1      -7.659   1.219   1.855  1.00  0.00           H  
ATOM     32 HG23 VAL A   1      -7.482   2.981   1.674  1.00  0.00           H  
ATOM     33  HA  VAL A   1      -5.935  -0.303   0.993  1.00  0.00           H  
ATOM     34  HXT VAL A   1      -7.672   0.613  -2.104  1.00  0.00           H  
ATOM     35  H   VAL A   1      -3.423   1.033   0.335  1.00  0.00           H  
HETATM   36  H   UNK A   0      -2.225  -3.342   0.218  1.00  0.00           H  
HETATM   37  H   UNK A   0       0.205  -3.694   0.124  1.00  0.00           H  
HETATM   38  H   UNK A   0      -1.596   0.903   0.256  1.00  0.00           H  
HETATM   39  H   UNK A   0       0.832   0.537   0.162  1.00  0.00           H  
HETATM   40  H   UNK A   0       2.598  -0.025  -0.790  1.00  0.00           H  
HETATM   41  H   UNK A   0       2.661  -0.056   0.989  1.00  0.00           H  
HETATM   42  H   UNK A   0       4.547  -1.663   0.894  1.00  0.00           H  
HETATM   43  H   UNK A   0       4.484  -1.633  -0.885  1.00  0.00           H  
HETATM   44  H   UNK A   0       4.954   0.802  -0.860  1.00  0.00           H  
HETATM   45  H   UNK A   0       5.018   0.771   0.919  1.00  0.00           H  
HETATM   46  H   UNK A   0       6.904  -0.836   0.824  1.00  0.00           H  
HETATM   47  H   UNK A   0       6.840  -0.805  -0.955  1.00  0.00           H  
HETATM   48  H   UNK A   0       7.311   1.629  -0.930  1.00  0.00           H  
HETATM   49  H   UNK A   0       7.374   1.599   0.849  1.00  0.00           H  
HETATM   50  H   UNK A   0       9.260  -0.009   0.754  1.00  0.00           H  
HETATM   51  H   UNK A   0       9.197   0.022  -1.025  1.00  0.00           H  
HETATM   52  H   UNK A   0       9.667   2.456  -1.000  1.00  0.00           H  
HETATM   53  H   UNK A   0       9.731   2.426   0.778  1.00  0.00           H  
HETATM   54  H   UNK A   0      11.617   0.818   0.683  1.00  0.00           H  
HETATM   55  H   UNK A   0      11.553   0.849  -1.095  1.00  0.00           H  
HETATM   56  H   UNK A   0      12.009   2.316  -0.196  1.00  0.00           H  
CONECT    1    2   26   27   28                                       
CONECT    2    1    4    3   29                                       
CONECT    3    2   30   31   32                                       
CONECT    4    8    2    5   33                                       
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5   34                                                 
CONECT    8    9    4   35                                            
CONECT    9   11   10   10    8                                       
CONECT   10    9    9                                                 
CONECT   11   12   12   14    9                                       
CONECT   12   13   11   11   36                                       
CONECT   13   16   16   12   37                                       
CONECT   14   15   15   11   38                                       
CONECT   15   16   14   14   39                                       
CONECT   16   17   13   13   15                                       
CONECT   17   18   16                                                 
CONECT   18   19   17   40   41                                       
CONECT   19   20   18   42   43                                       
CONECT   20   21   19   44   45                                       
CONECT   21   22   20   46   47                                       
CONECT   22   23   21   48   49                                       
CONECT   23   22   24   50   51                                       
CONECT   24   25   23   52   53                                       
CONECT   25   24   54   55   56                                       
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   25                                                      
CONECT   56   25                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
