COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0       2.051  -1.235  -1.389  1.00  0.00           C  
HETATM    2  C   UNK A   0       2.926  -0.794  -0.213  1.00  0.00           C  
HETATM    3  C   UNK A   0       4.049   0.110  -0.725  1.00  0.00           C  
HETATM    4  C   UNK A   0       4.911   0.545   0.432  1.00  0.00           C  
HETATM    5  C   UNK A   0       6.005  -0.214   0.803  1.00  0.00           C  
HETATM    6  C   UNK A   0       4.610   1.706   1.120  1.00  0.00           C  
HETATM    7  C   UNK A   0       6.795   0.184   1.865  1.00  0.00           C  
HETATM    8  C   UNK A   0       5.401   2.105   2.182  1.00  0.00           C  
HETATM    9  C   UNK A   0       6.492   1.342   2.556  1.00  0.00           C  
HETATM   10  C   UNK A   0       2.899  -1.960  -2.402  1.00  0.00           C  
HETATM   11  O   UNK A   0       3.842  -2.622  -2.038  1.00  0.00           O  
HETATM   12  O   UNK A   0       2.608  -1.869  -3.709  1.00  0.00           O  
HETATM   13  C   UNK A   0       0.951  -2.171  -0.882  1.00  0.00           C  
HETATM   14  C   UNK A   0      -0.026  -1.382  -0.008  1.00  0.00           C  
HETATM   15  C   UNK A   0      -1.205  -2.280   0.407  1.00  0.00           C  
HETATM   16  C   UNK A   0       0.670  -0.939   1.295  1.00  0.00           C  
HETATM   17  C   UNK A   0      -1.184  -2.351   1.947  1.00  0.00           C  
HETATM   18  C   UNK A   0      -0.431  -1.067   2.377  1.00  0.00           C  
HETATM   19  C   UNK A   0      -0.534  -0.178  -0.759  1.00  0.00           C  
HETATM   20  O   UNK A   0      -0.263  -0.036  -1.933  1.00  0.00           O  
ATOM     21  N   TRP A   1      -1.289   0.742  -0.126  1.00  0.00           N  
ATOM     22  CA  TRP A   1      -1.782   1.912  -0.856  1.00  0.00           C  
ATOM     23  C   TRP A   1      -0.727   2.988  -0.853  1.00  0.00           C  
ATOM     24  O   TRP A   1       0.329   2.796  -0.298  1.00  0.00           O  
ATOM     25  CB  TRP A   1      -3.049   2.439  -0.178  1.00  0.00           C  
ATOM     26  CG  TRP A   1      -4.144   1.409  -0.290  1.00  0.00           C  
ATOM     27  CD1 TRP A   1      -5.098   1.356  -1.233  1.00  0.00           C  
ATOM     28  CD2 TRP A   1      -4.364   0.271   0.606  1.00  0.00           C  
ATOM     29  NE1 TRP A   1      -5.915   0.281  -1.010  1.00  0.00           N  
ATOM     30  CE2 TRP A   1      -5.494  -0.403   0.108  1.00  0.00           C  
ATOM     31  CE3 TRP A   1      -3.716  -0.205   1.747  1.00  0.00           C  
ATOM     32  CZ2 TRP A   1      -5.951  -1.543   0.762  1.00  0.00           C  
ATOM     33  CZ3 TRP A   1      -4.183  -1.326   2.375  1.00  0.00           C  
ATOM     34  CH2 TRP A   1      -5.296  -1.996   1.885  1.00  0.00           C  
ATOM     35  OXT TRP A   1      -0.960   4.159  -1.466  1.00  0.00           O  
HETATM   36  H   UNK A   0       1.599  -0.360  -1.853  1.00  0.00           H  
HETATM   37  H   UNK A   0       2.318  -0.247   0.507  1.00  0.00           H  
HETATM   38  H   UNK A   0       3.358  -1.672   0.268  1.00  0.00           H  
HETATM   39  H   UNK A   0       4.657  -0.437  -1.445  1.00  0.00           H  
HETATM   40  H   UNK A   0       3.618   0.988  -1.207  1.00  0.00           H  
HETATM   41  H   UNK A   0       6.242  -1.119   0.263  1.00  0.00           H  
HETATM   42  H   UNK A   0       3.758   2.302   0.828  1.00  0.00           H  
HETATM   43  H   UNK A   0       7.650  -0.409   2.154  1.00  0.00           H  
HETATM   44  H   UNK A   0       5.166   3.012   2.719  1.00  0.00           H  
HETATM   45  H   UNK A   0       7.109   1.654   3.385  1.00  0.00           H  
HETATM   46  H   UNK A   0       3.223  -2.288  -4.326  1.00  0.00           H  
HETATM   47  H   UNK A   0       0.417  -2.596  -1.732  1.00  0.00           H  
HETATM   48  H   UNK A   0       1.398  -2.973  -0.295  1.00  0.00           H  
HETATM   49  H   UNK A   0      -2.144  -1.844   0.066  1.00  0.00           H  
HETATM   50  H   UNK A   0      -1.080  -3.278  -0.015  1.00  0.00           H  
HETATM   51  H   UNK A   0       1.508  -1.598   1.523  1.00  0.00           H  
HETATM   52  H   UNK A   0       1.008   0.095   1.215  1.00  0.00           H  
HETATM   53  H   UNK A   0      -2.199  -2.348   2.343  1.00  0.00           H  
HETATM   54  H   UNK A   0      -0.645  -3.238   2.281  1.00  0.00           H  
HETATM   55  H   UNK A   0       0.011  -1.191   3.365  1.00  0.00           H  
HETATM   56  H   UNK A   0      -1.096  -0.204   2.355  1.00  0.00           H  
ATOM     57  H   TRP A   1      -1.506   0.628   0.813  1.00  0.00           H  
ATOM     58  HA  TRP A   1      -2.010   1.630  -1.884  1.00  0.00           H  
ATOM     59  HB1 TRP A   1      -2.843   2.637   0.873  1.00  0.00           H  
ATOM     60  HB2 TRP A   1      -3.366   3.360  -0.667  1.00  0.00           H  
ATOM     61  HD1 TRP A   1      -5.205   2.059  -2.046  1.00  0.00           H  
ATOM     62  HE1 TRP A   1      -6.676   0.037  -1.560  1.00  0.00           H  
ATOM     63  HE3 TRP A   1      -2.849   0.310   2.133  1.00  0.00           H  
ATOM     64  HZ2 TRP A   1      -6.817  -2.070   0.390  1.00  0.00           H  
ATOM     65  HZ3 TRP A   1      -3.681  -1.694   3.257  1.00  0.00           H  
ATOM     66  HH2 TRP A   1      -5.653  -2.881   2.392  1.00  0.00           H  
ATOM     67  HXT TRP A   1      -0.253   4.818  -1.438  1.00  0.00           H  
CONECT    1    2   10   36   13                                       
CONECT    2    1    3   37   38                                       
CONECT    3    2    4   39   40                                       
CONECT    4    3    5    5    6                                       
CONECT    5    4    4    7   41                                       
CONECT    6    4    8    8   42                                       
CONECT    7    5    9    9   43                                       
CONECT    8    6    6    9   44                                       
CONECT    9    7    7    8   45                                       
CONECT   10    1   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   46                                                 
CONECT   13   14   47   48    1                                       
CONECT   14   13   15   16   19                                       
CONECT   15   14   17   49   50                                       
CONECT   16   14   18   51   52                                       
CONECT   17   15   18   53   54                                       
CONECT   18   16   17   55   56                                       
CONECT   19   14   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   22   57   19                                            
CONECT   22   21   23   25   58                                       
CONECT   23   22   24   24   35                                       
CONECT   24   23   23                                                 
CONECT   25   22   26   59   60                                       
CONECT   26   25   27   27   28                                       
CONECT   27   26   26   29   61                                       
CONECT   28   26   30   30   31                                       
CONECT   29   27   30   62                                            
CONECT   30   28   28   29   32                                       
CONECT   31   28   33   33   63                                       
CONECT   32   30   34   34   64                                       
CONECT   33   31   31   34   65                                       
CONECT   34   32   32   33   66                                       
CONECT   35   23   67                                                 
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   25                                                      
CONECT   60   25                                                      
CONECT   61   27                                                      
CONECT   62   29                                                      
CONECT   63   31                                                      
CONECT   64   32                                                      
CONECT   65   33                                                      
CONECT   66   34                                                      
CONECT   67   35                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
