COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK A   0       2.921   1.631   2.832  1.00  0.00           N  
HETATM    2  C   UNK A   0       3.498   1.550   1.651  1.00  0.00           C  
HETATM    3  C   UNK A   0       4.816   2.243   1.417  1.00  0.00           C  
HETATM    4  C   UNK A   0       2.905   0.838   0.618  1.00  0.00           C  
HETATM    5  O   UNK A   0       3.503   0.758  -0.597  1.00  0.00           O  
HETATM    6  C   UNK A   0       1.680   0.193   0.855  1.00  0.00           C  
HETATM    7  C   UNK A   0       1.011  -0.581  -0.207  1.00  0.00           C  
HETATM    8  C   UNK A   0       1.110   0.311   2.128  1.00  0.00           C  
HETATM    9  C   UNK A   0       1.769   1.045   3.093  1.00  0.00           C  
HETATM   10  C   UNK A   0      -0.205  -0.353   2.440  1.00  0.00           C  
HETATM   11  O   UNK A   0      -0.566  -0.081   3.796  1.00  0.00           O  
HETATM   12  P   UNK A   0      -1.974  -0.817   4.059  1.00  0.00           P  
HETATM   13  O   UNK A   0      -1.818  -2.273   3.838  1.00  0.00           O  
HETATM   14  O   UNK A   0      -2.443  -0.552   5.576  1.00  0.00           O  
HETATM   15  O   UNK A   0      -3.081  -0.236   3.045  1.00  0.00           O  
ATOM     16  N   TRP A   1       1.555  -0.677  -1.376  1.00  0.00           N  
ATOM     17  CA  TRP A   1       0.891  -1.446  -2.432  1.00  0.00           C  
ATOM     18  C   TRP A   1       1.792  -2.569  -2.878  1.00  0.00           C  
ATOM     19  O   TRP A   1       1.315  -3.598  -3.293  1.00  0.00           O  
ATOM     20  OXT TRP A   1       3.125  -2.425  -2.815  1.00  0.00           O  
ATOM     21  CB  TRP A   1       0.592  -0.529  -3.619  1.00  0.00           C  
ATOM     22  CG  TRP A   1      -0.308   0.592  -3.173  1.00  0.00           C  
ATOM     23  CD1 TRP A   1       0.078   1.785  -2.694  1.00  0.00           C  
ATOM     24  NE1 TRP A   1      -1.017   2.546  -2.393  1.00  0.00           N  
ATOM     25  CE2 TRP A   1      -2.167   1.844  -2.680  1.00  0.00           C  
ATOM     26  CZ2 TRP A   1      -3.522   2.138  -2.568  1.00  0.00           C  
ATOM     27  CH2 TRP A   1      -4.459   1.202  -2.948  1.00  0.00           C  
ATOM     28  CZ3 TRP A   1      -4.065  -0.033  -3.442  1.00  0.00           C  
ATOM     29  CE3 TRP A   1      -2.740  -0.343  -3.559  1.00  0.00           C  
ATOM     30  CD2 TRP A   1      -1.773   0.592  -3.186  1.00  0.00           C  
HETATM   31  H   UNK A   0       5.632   1.564   1.662  1.00  0.00           H  
HETATM   32  H   UNK A   0       4.890   2.537   0.370  1.00  0.00           H  
HETATM   33  H   UNK A   0       4.878   3.129   2.048  1.00  0.00           H  
HETATM   34  H   UNK A   0       3.174   1.501  -1.120  1.00  0.00           H  
HETATM   35  H   UNK A   0       0.068  -1.067  -0.009  1.00  0.00           H  
HETATM   36  H   UNK A   0       1.335   1.140   4.077  1.00  0.00           H  
HETATM   37  H   UNK A   0      -0.976   0.035   1.774  1.00  0.00           H  
HETATM   38  H   UNK A   0      -0.111  -1.429   2.298  1.00  0.00           H  
HETATM   39  H   UNK A   0      -3.288  -1.009   5.691  1.00  0.00           H  
HETATM   40  H   UNK A   0      -3.152   0.711   3.222  1.00  0.00           H  
ATOM     41  HA  TRP A   1      -0.041  -1.860  -2.048  1.00  0.00           H  
ATOM     42  HXT TRP A   1       3.703  -3.145  -3.101  1.00  0.00           H  
ATOM     43  HB1 TRP A   1       1.525  -0.116  -4.003  1.00  0.00           H  
ATOM     44  HB2 TRP A   1       0.098  -1.101  -4.405  1.00  0.00           H  
ATOM     45  HD1 TRP A   1       1.104   2.097  -2.564  1.00  0.00           H  
ATOM     46  HE1 TRP A   1      -0.989   3.446  -2.033  1.00  0.00           H  
ATOM     47  HZ2 TRP A   1      -3.838   3.097  -2.185  1.00  0.00           H  
ATOM     48  HH2 TRP A   1      -5.510   1.433  -2.860  1.00  0.00           H  
ATOM     49  HZ3 TRP A   1      -4.813  -0.755  -3.735  1.00  0.00           H  
ATOM     50  HE3 TRP A   1      -2.441  -1.307  -3.944  1.00  0.00           H  
CONECT    1    2    2    9                                            
CONECT    2    1    1    3    4                                       
CONECT    3    2   31   32   33                                       
CONECT    4    2    5    6    6                                       
CONECT    5    4   34                                                 
CONECT    6    4    4    7    8                                       
CONECT    7    6   16   16   35                                       
CONECT    8    6    9    9   10                                       
CONECT    9    1    8    8   36                                       
CONECT   10    8   11   37   38                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   13   14                                       
CONECT   12   15                                                      
CONECT   13   12   12                                                 
CONECT   14   12   39                                                 
CONECT   15   12   40                                                 
CONECT   16    7    7   17                                            
CONECT   17   16   18   21   41                                       
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   42                                                 
CONECT   21   17   22   43   44                                       
CONECT   22   21   23   23   30                                       
CONECT   23   22   22   24   45                                       
CONECT   24   23   25   46                                            
CONECT   25   24   26   26   30                                       
CONECT   26   25   25   27   47                                       
CONECT   27   26   28   28   48                                       
CONECT   28   27   27   29   49                                       
CONECT   29   28   30   30   50                                       
CONECT   30   22   25   29   29                                       
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    5                                                      
CONECT   35    7                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   17                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
