COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   1      -1.813   2.488  -0.149  1.00  0.00           C  
HETATM    2  C   UNK A   1      -3.027   1.656   0.271  1.00  0.00           C  
HETATM    3  C   UNK A   1      -2.722   0.171   0.067  1.00  0.00           C  
HETATM    4  C   UNK A   1      -3.918  -0.648   0.480  1.00  0.00           C  
HETATM    5  C   UNK A   1      -4.897  -0.959  -0.445  1.00  0.00           C  
HETATM    6  C   UNK A   1      -4.033  -1.094   1.784  1.00  0.00           C  
HETATM    7  C   UNK A   1      -5.993  -1.710  -0.066  1.00  0.00           C  
HETATM    8  C   UNK A   1      -5.130  -1.845   2.163  1.00  0.00           C  
HETATM    9  C   UNK A   1      -6.111  -2.151   1.239  1.00  0.00           C  
HETATM   10  C   UNK A   1      -2.154   3.953  -0.065  1.00  0.00           C  
HETATM   11  O   UNK A   1      -1.843   4.591   0.913  1.00  0.00           O  
HETATM   12  O   UNK A   1      -2.805   4.550  -1.077  1.00  0.00           O  
HETATM   13  N   UNK A   1      -0.686   2.195   0.746  1.00  0.00           N  
HETATM   14  C   UNK A   1       0.486   1.740  -0.014  1.00  0.00           C  
HETATM   15  C   UNK A   1       1.400   0.956   0.892  1.00  0.00           C  
HETATM   16  O   UNK A   1       1.329   1.099   2.095  1.00  0.00           O  
HETATM   17  C   UNK A   1       1.236   2.952  -0.570  1.00  0.00           C  
HETATM   18  C   UNK A   1       2.408   2.476  -1.431  1.00  0.00           C  
HETATM   19  C   UNK A   1       1.870   1.753  -2.668  1.00  0.00           C  
HETATM   20  C   UNK A   1       3.242   3.681  -1.869  1.00  0.00           C  
ATOM     21  N   TRP A   2       2.295   0.097   0.367  1.00  0.00           N  
ATOM     22  CA  TRP A   2       3.105  -0.747   1.250  1.00  0.00           C  
ATOM     23  C   TRP A   2       4.322   0.020   1.700  1.00  0.00           C  
ATOM     24  O   TRP A   2       4.494   1.155   1.323  1.00  0.00           O  
ATOM     25  CB  TRP A   2       3.545  -2.002   0.493  1.00  0.00           C  
ATOM     26  CG  TRP A   2       2.334  -2.831   0.149  1.00  0.00           C  
ATOM     27  CD1 TRP A   2       1.845  -3.862   0.857  1.00  0.00           C  
ATOM     28  CD2 TRP A   2       1.464  -2.661  -1.018  1.00  0.00           C  
ATOM     29  NE1 TRP A   2       0.736  -4.369   0.236  1.00  0.00           N  
ATOM     30  CE2 TRP A   2       0.477  -3.658  -0.914  1.00  0.00           C  
ATOM     31  CE3 TRP A   2       1.451  -1.776  -2.098  1.00  0.00           C  
ATOM     32  CZ2 TRP A   2      -0.506  -3.747  -1.895  1.00  0.00           C  
ATOM     33  CZ3 TRP A   2       0.477  -1.883  -3.049  1.00  0.00           C  
ATOM     34  CH2 TRP A   2      -0.501  -2.864  -2.951  1.00  0.00           C  
ATOM     35  OXT TRP A   2       5.213  -0.558   2.521  1.00  0.00           O  
HETATM   36  H   UNK A   1      -1.538   2.237  -1.174  1.00  0.00           H  
HETATM   37  H   UNK A   1      -3.247   1.841   1.322  1.00  0.00           H  
HETATM   38  H   UNK A   1      -3.887   1.938  -0.336  1.00  0.00           H  
HETATM   39  H   UNK A   1      -2.502  -0.014  -0.985  1.00  0.00           H  
HETATM   40  H   UNK A   1      -1.862  -0.111   0.673  1.00  0.00           H  
HETATM   41  H   UNK A   1      -4.805  -0.614  -1.465  1.00  0.00           H  
HETATM   42  H   UNK A   1      -3.266  -0.855   2.506  1.00  0.00           H  
HETATM   43  H   UNK A   1      -6.758  -1.952  -0.789  1.00  0.00           H  
HETATM   44  H   UNK A   1      -5.219  -2.193   3.182  1.00  0.00           H  
HETATM   45  H   UNK A   1      -6.968  -2.738   1.536  1.00  0.00           H  
HETATM   46  H   UNK A   1      -2.936   5.506  -1.011  1.00  0.00           H  
HETATM   47  H   UNK A   1      -0.947   1.519   1.447  1.00  0.00           H  
HETATM   48  H   UNK A   1       0.160   1.105  -0.838  1.00  0.00           H  
HETATM   49  H   UNK A   1       0.559   3.552  -1.177  1.00  0.00           H  
HETATM   50  H   UNK A   1       1.614   3.555   0.256  1.00  0.00           H  
HETATM   51  H   UNK A   1       3.030   1.793  -0.853  1.00  0.00           H  
HETATM   52  H   UNK A   1       1.218   0.936  -2.357  1.00  0.00           H  
HETATM   53  H   UNK A   1       1.306   2.454  -3.283  1.00  0.00           H  
HETATM   54  H   UNK A   1       2.703   1.352  -3.246  1.00  0.00           H  
HETATM   55  H   UNK A   1       3.625   4.197  -0.988  1.00  0.00           H  
HETATM   56  H   UNK A   1       4.077   3.342  -2.483  1.00  0.00           H  
HETATM   57  H   UNK A   1       2.620   4.364  -2.447  1.00  0.00           H  
ATOM     58  H   TRP A   2       2.404   0.037  -0.595  1.00  0.00           H  
ATOM     59  HA  TRP A   2       2.514  -1.035   2.119  1.00  0.00           H  
ATOM     60  HB1 TRP A   2       4.059  -1.712  -0.424  1.00  0.00           H  
ATOM     61  HB2 TRP A   2       4.219  -2.586   1.119  1.00  0.00           H  
ATOM     62  HD1 TRP A   2       2.264  -4.235   1.779  1.00  0.00           H  
ATOM     63  HE1 TRP A   2       0.210  -5.117   0.559  1.00  0.00           H  
ATOM     64  HE3 TRP A   2       2.208  -1.010  -2.180  1.00  0.00           H  
ATOM     65  HZ2 TRP A   2      -1.270  -4.508  -1.828  1.00  0.00           H  
ATOM     66  HZ3 TRP A   2       0.466  -1.198  -3.884  1.00  0.00           H  
ATOM     67  HH2 TRP A   2      -1.265  -2.935  -3.711  1.00  0.00           H  
ATOM     68  HXT TRP A   2       5.977  -0.027   2.783  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    1                                            
CONECT   14   13   15   17   48                                       
CONECT   15   14   16   16   21                                       
CONECT   16   15   15                                                 
CONECT   17   14   18   49   50                                       
CONECT   18   17   19   20   51                                       
CONECT   19   18   52   53   54                                       
CONECT   20   18   55   56   57                                       
CONECT   21   22   58   15                                            
CONECT   22   21   23   25   59                                       
CONECT   23   22   24   24   35                                       
CONECT   24   23   23                                                 
CONECT   25   22   26   60   61                                       
CONECT   26   25   27   27   28                                       
CONECT   27   26   26   29   62                                       
CONECT   28   26   30   30   31                                       
CONECT   29   27   30   63                                            
CONECT   30   28   28   29   32                                       
CONECT   31   28   33   33   64                                       
CONECT   32   30   34   34   65                                       
CONECT   33   31   31   34   66                                       
CONECT   34   32   32   33   67                                       
CONECT   35   23   68                                                 
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   14                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   25                                                      
CONECT   61   25                                                      
CONECT   62   27                                                      
CONECT   63   29                                                      
CONECT   64   31                                                      
CONECT   65   32                                                      
CONECT   66   33                                                      
CONECT   67   34                                                      
CONECT   68   35                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
