COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0       0.136  -0.652   0.272  1.00  0.00           C  
HETATM    2  C   UNK A   0      -1.088  -0.686  -0.371  1.00  0.00           C  
HETATM    3  C   UNK A   0      -2.261  -0.579   0.354  1.00  0.00           C  
HETATM    4  C   UNK A   0      -2.216  -0.437   1.726  1.00  0.00           C  
HETATM    5  C   UNK A   0      -0.984  -0.402   2.381  1.00  0.00           C  
HETATM    6  C   UNK A   0       0.195  -0.505   1.642  1.00  0.00           C  
HETATM    7  C   UNK A   0      -0.928  -0.250   3.851  1.00  0.00           C  
HETATM    8  O   UNK A   0      -1.957  -0.155   4.491  1.00  0.00           O  
ATOM      9  N   VAL A   1       0.262  -0.216   4.480  1.00  0.00           N  
ATOM     10  CA  VAL A   1       0.317  -0.065   5.936  1.00  0.00           C  
ATOM     11  CB  VAL A   1       1.565  -0.768   6.475  1.00  0.00           C  
ATOM     12  CG1 VAL A   1       1.622  -0.611   7.996  1.00  0.00           C  
ATOM     13  CG2 VAL A   1       1.506  -2.255   6.118  1.00  0.00           C  
HETATM   14  C   UNK A   0      -1.144  -0.841  -1.869  1.00  0.00           C  
HETATM   15  C   UNK A   0      -1.124   0.540  -2.525  1.00  0.00           C  
HETATM   16  C   UNK A   0      -1.181   0.385  -4.023  1.00  0.00           C  
ATOM     17  C   VAL A   1       0.374   1.398   6.288  1.00  0.00           C  
ATOM     18  O   VAL A   1      -0.101   1.789   7.327  1.00  0.00           O  
ATOM     19  OXT VAL A   1       0.954   2.268   5.446  1.00  0.00           O  
HETATM   20  C   UNK A   0      -2.287   0.337  -4.783  1.00  0.00           C  
HETATM   21  N   UNK A   0      -1.936   0.191  -6.101  1.00  0.00           N  
HETATM   22  C   UNK A   0      -0.578   0.141  -6.221  1.00  0.00           C  
HETATM   23  C   UNK A   0      -0.042   0.266  -4.932  1.00  0.00           C  
HETATM   24  C   UNK A   0       1.360   0.240  -4.766  1.00  0.00           C  
HETATM   25  O   UNK A   0       1.861   0.341  -3.659  1.00  0.00           O  
HETATM   26  N   UNK A   0       2.132   0.105  -5.868  1.00  0.00           N  
HETATM   27  C   UNK A   0       1.556  -0.006  -7.099  1.00  0.00           C  
HETATM   28  N   UNK A   0       0.253   0.011  -7.265  1.00  0.00           N  
HETATM   29  N   UNK A   0       2.364  -0.142  -8.200  1.00  0.00           N  
HETATM   30  H   UNK A   0       1.048  -0.737  -0.300  1.00  0.00           H  
HETATM   31  H   UNK A   0      -3.213  -0.606  -0.153  1.00  0.00           H  
HETATM   32  H   UNK A   0      -3.132  -0.354   2.292  1.00  0.00           H  
HETATM   33  H   UNK A   0       1.151  -0.479   2.143  1.00  0.00           H  
ATOM     34  H   VAL A   1       1.083  -0.292   3.969  1.00  0.00           H  
ATOM     35  HA  VAL A   1      -0.571  -0.512   6.382  1.00  0.00           H  
ATOM     36  HB  VAL A   1       2.454  -0.322   6.030  1.00  0.00           H  
ATOM     37 HG11 VAL A   1       2.511  -1.112   8.380  1.00  0.00           H  
ATOM     38 HG12 VAL A   1       1.663   0.447   8.250  1.00  0.00           H  
ATOM     39 HG13 VAL A   1       0.733  -1.057   8.441  1.00  0.00           H  
ATOM     40 HG21 VAL A   1       0.617  -2.701   6.563  1.00  0.00           H  
ATOM     41 HG22 VAL A   1       1.466  -2.367   5.035  1.00  0.00           H  
ATOM     42 HG23 VAL A   1       2.395  -2.756   6.502  1.00  0.00           H  
HETATM   43  H   UNK A   0      -0.283  -1.417  -2.207  1.00  0.00           H  
HETATM   44  H   UNK A   0      -2.061  -1.362  -2.146  1.00  0.00           H  
HETATM   45  H   UNK A   0      -1.986   1.116  -2.187  1.00  0.00           H  
HETATM   46  H   UNK A   0      -0.207   1.061  -2.248  1.00  0.00           H  
ATOM     47  HXT VAL A   1       0.990   3.208   5.672  1.00  0.00           H  
HETATM   48  H   UNK A   0      -3.300   0.403  -4.413  1.00  0.00           H  
HETATM   49  H   UNK A   0      -2.561   0.131  -6.840  1.00  0.00           H  
HETATM   50  H   UNK A   0       3.098   0.088  -5.782  1.00  0.00           H  
HETATM   51  H   UNK A   0       1.971  -0.223  -9.083  1.00  0.00           H  
HETATM   52  H   UNK A   0       3.328  -0.157  -8.095  1.00  0.00           H  
CONECT    1    2    2    6   30                                       
CONECT    2    1    1    3   14                                       
CONECT    3    2    4    4   31                                       
CONECT    4    3    3    5   32                                       
CONECT    5    4    6    6    7                                       
CONECT    6    1    5    5   33                                       
CONECT    7    5    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   34                                            
CONECT   10    9   11   17   35                                       
CONECT   11   10   12   13   36                                       
CONECT   12   11   37   38   39                                       
CONECT   13   11   40   41   42                                       
CONECT   14    2   15   43   44                                       
CONECT   15   14   16   45   46                                       
CONECT   16   15   20   20   23                                       
CONECT   17   10   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   47                                                 
CONECT   20   16   16   21   48                                       
CONECT   21   20   22   49                                            
CONECT   22   21   23   23   28                                       
CONECT   23   16   22   22   24                                       
CONECT   24   23   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   50                                            
CONECT   27   26   28   28   29                                       
CONECT   28   22   27   27                                            
CONECT   29   27   51   52                                            
CONECT   30    1                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    6                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   26                                                      
CONECT   51   29                                                      
CONECT   52   29                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
