COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
ATOM      1  N   TRP A   1       0.944  -0.826   0.594  1.00  0.00           N  
ATOM      2  CA  TRP A   1      -0.131  -1.692   0.103  1.00  0.00           C  
ATOM      3  C   TRP A   1       0.362  -3.115   0.036  1.00  0.00           C  
ATOM      4  OXT TRP A   1      -0.457  -4.089  -0.389  1.00  0.00           O  
ATOM      5  O   TRP A   1       1.495  -3.378   0.364  1.00  0.00           O  
ATOM      6  CB  TRP A   1      -1.326  -1.611   1.055  1.00  0.00           C  
ATOM      7  CG  TRP A   1      -1.895  -0.216   1.029  1.00  0.00           C  
ATOM      8  CD2 TRP A   1      -2.875   0.308   0.075  1.00  0.00           C  
ATOM      9  CE2 TRP A   1      -3.106   1.644   0.448  1.00  0.00           C  
ATOM     10  NE1 TRP A   1      -2.318   1.900   1.549  1.00  0.00           N  
ATOM     11  CD1 TRP A   1      -1.605   0.781   1.880  1.00  0.00           C  
ATOM     12  CZ2 TRP A   1      -4.004   2.412  -0.286  1.00  0.00           C  
ATOM     13  CH2 TRP A   1      -4.655   1.857  -1.366  1.00  0.00           C  
ATOM     14  CZ3 TRP A   1      -4.424   0.537  -1.730  1.00  0.00           C  
ATOM     15  CE3 TRP A   1      -3.546  -0.234  -1.023  1.00  0.00           C  
HETATM   16  C   UNK A   0       1.854  -0.328  -0.267  1.00  0.00           C  
HETATM   17  O   UNK A   0       1.783  -0.597  -1.447  1.00  0.00           O  
HETATM   18  C   UNK A   0       2.959   0.563   0.238  1.00  0.00           C  
HETATM   19  C   UNK A   0       3.847   0.988  -0.934  1.00  0.00           C  
HETATM   20  S   UNK A   0       5.260   1.938  -0.308  1.00  0.00           S  
HETATM   21  C   UNK A   0       2.354   1.805   0.895  1.00  0.00           C  
ATOM     22  H   TRP A   1       0.998  -0.607   1.537  1.00  0.00           H  
ATOM     23  HA  TRP A   1      -0.435  -1.365  -0.891  1.00  0.00           H  
ATOM     24  HXT TRP A   1      -0.096  -4.986  -0.415  1.00  0.00           H  
ATOM     25  HB1 TRP A   1      -2.090  -2.321   0.740  1.00  0.00           H  
ATOM     26  HB2 TRP A   1      -1.001  -1.852   2.068  1.00  0.00           H  
ATOM     27  HE1 TRP A   1      -2.276   2.748   2.018  1.00  0.00           H  
ATOM     28  HD1 TRP A   1      -0.913   0.709   2.707  1.00  0.00           H  
ATOM     29  HZ2 TRP A   1      -4.191   3.439  -0.010  1.00  0.00           H  
ATOM     30  HH2 TRP A   1      -5.353   2.454  -1.934  1.00  0.00           H  
ATOM     31  HZ3 TRP A   1      -4.944   0.117  -2.579  1.00  0.00           H  
ATOM     32  HE3 TRP A   1      -3.371  -1.260  -1.312  1.00  0.00           H  
HETATM   33  H   UNK A   0       3.558   0.021   0.969  1.00  0.00           H  
HETATM   34  H   UNK A   0       4.207   0.102  -1.456  1.00  0.00           H  
HETATM   35  H   UNK A   0       3.270   1.606  -1.622  1.00  0.00           H  
HETATM   36  H   UNK A   0       5.942   2.240  -1.428  1.00  0.00           H  
HETATM   37  H   UNK A   0       3.153   2.450   1.260  1.00  0.00           H  
HETATM   38  H   UNK A   0       1.755   2.348   0.164  1.00  0.00           H  
HETATM   39  H   UNK A   0       1.721   1.503   1.730  1.00  0.00           H  
CONECT    1   16    2   22                                            
CONECT    2    6    1    3   23                                       
CONECT    3    2    5    5    4                                       
CONECT    4    3   24                                                 
CONECT    5    3    3                                                 
CONECT    6    7    2   25   26                                       
CONECT    7    8   11   11    6                                       
CONECT    8   15   15    9    7                                       
CONECT    9   12   12    8   10                                       
CONECT   10    9   11   27                                            
CONECT   11   10    7    7   28                                       
CONECT   12   13    9    9   29                                       
CONECT   13   14   14   12   30                                       
CONECT   14   13   13   15   31                                       
CONECT   15   14    8    8   32                                       
CONECT   16   18   17   17    1                                       
CONECT   17   16   16                                                 
CONECT   18   21   16   19   33                                       
CONECT   19   18   20   34   35                                       
CONECT   20   19   36                                                 
CONECT   21   18   37   38   39                                       
CONECT   22    1                                                      
CONECT   23    2                                                      
CONECT   24    4                                                      
CONECT   25    6                                                      
CONECT   26    6                                                      
CONECT   27   10                                                      
CONECT   28   11                                                      
CONECT   29   12                                                      
CONECT   30   13                                                      
CONECT   31   14                                                      
CONECT   32   15                                                      
CONECT   33   18                                                      
CONECT   34   19                                                      
CONECT   35   19                                                      
CONECT   36   20                                                      
CONECT   37   21                                                      
CONECT   38   21                                                      
CONECT   39   21                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
