COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNK A   0       6.541  -0.699  -0.900  1.00  0.00           C  
HETATM    2  C   UNK A   0       7.634  -0.619   0.134  1.00  0.00           C  
HETATM    3  C   UNK A   0       9.132   0.683   1.471  1.00  0.00           C  
HETATM    4  C   UNK A   0       9.141  -1.704   1.645  1.00  0.00           C  
HETATM    5  C   UNK A   0       4.157  -0.713  -1.030  1.00  0.00           C  
HETATM    6  C   UNK A   0       8.129   0.611   0.523  1.00  0.00           C  
HETATM    7  C   UNK A   0       9.640  -0.474   2.031  1.00  0.00           C  
HETATM    8  C   UNK A   0       8.138  -1.777   0.697  1.00  0.00           C  
HETATM    9  O   UNK A   0       5.247  -0.652  -0.242  1.00  0.00           O  
HETATM   10  O   UNK A   0       4.284  -0.802  -2.235  1.00  0.00           O  
ATOM     11  N   VAL A   1       2.927  -0.674  -0.482  1.00  0.00           N  
ATOM     12  CA  VAL A   1       1.741  -0.741  -1.340  1.00  0.00           C  
ATOM     13  C   VAL A   1       0.577  -0.088  -0.639  1.00  0.00           C  
ATOM     14  O   VAL A   1       0.724   0.385   0.468  1.00  0.00           O  
ATOM     15  CB  VAL A   1       1.405  -2.204  -1.633  1.00  0.00           C  
ATOM     16  CG1 VAL A   1       2.586  -2.866  -2.345  1.00  0.00           C  
ATOM     17  CG2 VAL A   1       1.125  -2.936  -0.319  1.00  0.00           C  
ATOM     18  N   PHE A   2      -0.627  -0.031  -1.242  1.00  0.00           N  
ATOM     19  CA  PHE A   2      -1.758   0.603  -0.561  1.00  0.00           C  
ATOM     20  C   PHE A   2      -3.048   0.034  -1.093  1.00  0.00           C  
ATOM     21  O   PHE A   2      -3.025  -0.818  -1.957  1.00  0.00           O  
ATOM     22  CB  PHE A   2      -1.724   2.112  -0.812  1.00  0.00           C  
ATOM     23  CG  PHE A   2      -0.475   2.709  -0.162  1.00  0.00           C  
ATOM     24  CD1 PHE A   2      -0.375   4.194  -0.518  1.00  0.00           C  
ATOM     25  CE1 PHE A   2       0.875   4.791   0.132  1.00  0.00           C  
ATOM     26  CZ  PHE A   2       0.784   4.635   1.651  1.00  0.00           C  
ATOM     27  CE2 PHE A   2       0.684   3.151   2.007  1.00  0.00           C  
ATOM     28  CD2 PHE A   2      -0.565   2.553   1.357  1.00  0.00           C  
HETATM   29  C   UNK A   3      -5.482  -0.083  -1.127  1.00  0.00           C  
HETATM   30  C   UNK A   3      -6.579   0.066  -0.071  1.00  0.00           C  
HETATM   31  C   UNK A   3      -5.888   0.673  -2.394  1.00  0.00           C  
HETATM   32  C   UNK A   3      -6.237  -0.777   1.130  1.00  0.00           C  
HETATM   33  C   UNK A   3      -5.590  -0.227   2.198  1.00  0.00           C  
HETATM   34  C   UNK A   3      -5.284  -1.032   3.304  1.00  0.00           C  
HETATM   35  C   UNK A   3      -5.629  -2.340   3.303  1.00  0.00           C  
HETATM   36  C   UNK A   3      -6.586  -2.138   1.165  1.00  0.00           C  
HETATM   37  N   UNK A   3      -4.228   0.471  -0.609  1.00  0.00           N  
HETATM   38  N   UNK A   3      -6.273  -2.887   2.240  1.00  0.00           N  
HETATM   39  O   UNK A   3      -7.165  -2.644   0.217  1.00  0.00           O  
HETATM   40  O   UNK A   3      -6.182   2.032  -2.064  1.00  0.00           O  
HETATM   41  H   UNK A   0       6.629   0.143  -1.588  1.00  0.00           H  
HETATM   42  H   UNK A   0       6.632  -1.632  -1.455  1.00  0.00           H  
HETATM   43  H   UNK A   0       9.522   1.645   1.773  1.00  0.00           H  
HETATM   44  H   UNK A   0       9.534  -2.609   2.086  1.00  0.00           H  
HETATM   45  H   UNK A   0       7.733   1.515   0.086  1.00  0.00           H  
HETATM   46  H   UNK A   0      10.423  -0.417   2.772  1.00  0.00           H  
HETATM   47  H   UNK A   0       7.747  -2.738   0.396  1.00  0.00           H  
ATOM     48  H   VAL A   1       2.826  -0.603   0.480  1.00  0.00           H  
ATOM     49  HA  VAL A   1       1.940  -0.219  -2.276  1.00  0.00           H  
ATOM     50  HB  VAL A   1       0.522  -2.253  -2.271  1.00  0.00           H  
ATOM     51 HG11 VAL A   1       3.468  -2.817  -1.707  1.00  0.00           H  
ATOM     52 HG12 VAL A   1       2.346  -3.909  -2.553  1.00  0.00           H  
ATOM     53 HG13 VAL A   1       2.785  -2.345  -3.281  1.00  0.00           H  
ATOM     54 HG21 VAL A   1       0.283  -2.465   0.188  1.00  0.00           H  
ATOM     55 HG22 VAL A   1       0.886  -3.979  -0.528  1.00  0.00           H  
ATOM     56 HG23 VAL A   1       2.007  -2.887   0.319  1.00  0.00           H  
ATOM     57  H   PHE A   2      -0.744  -0.410  -2.127  1.00  0.00           H  
ATOM     58  HA  PHE A   2      -1.691   0.411   0.510  1.00  0.00           H  
ATOM     59  HB1 PHE A   2      -1.702   2.301  -1.885  1.00  0.00           H  
ATOM     60  HB2 PHE A   2      -2.613   2.572  -0.380  1.00  0.00           H  
ATOM     61  HG  PHE A   2       0.410   2.187  -0.529  1.00  0.00           H  
ATOM     62 HD11 PHE A   2      -0.310   4.304  -1.600  1.00  0.00           H  
ATOM     63 HD12 PHE A   2      -1.259   4.715  -0.152  1.00  0.00           H  
ATOM     64 HE11 PHE A   2       1.759   4.269  -0.235  1.00  0.00           H  
ATOM     65 HE12 PHE A   2       0.946   5.848  -0.122  1.00  0.00           H  
ATOM     66  HZ1 PHE A   2       1.675   5.061   2.114  1.00  0.00           H  
ATOM     67  HZ2 PHE A   2      -0.100   5.157   2.017  1.00  0.00           H  
ATOM     68 HE21 PHE A   2       1.569   2.629   1.640  1.00  0.00           H  
ATOM     69 HE22 PHE A   2       0.620   3.040   3.089  1.00  0.00           H  
ATOM     70 HD21 PHE A   2      -1.450   3.075   1.723  1.00  0.00           H  
ATOM     71 HD22 PHE A   2      -0.636   1.495   1.610  1.00  0.00           H  
HETATM   72  H   UNK A   3      -5.344  -1.138  -1.362  1.00  0.00           H  
HETATM   73  H   UNK A   3      -6.656   1.111   0.229  1.00  0.00           H  
HETATM   74  H   UNK A   3      -7.531  -0.264  -0.487  1.00  0.00           H  
HETATM   75  H   UNK A   3      -5.070   0.642  -3.113  1.00  0.00           H  
HETATM   76  H   UNK A   3      -6.772   0.205  -2.828  1.00  0.00           H  
HETATM   77  H   UNK A   3      -5.317   0.818   2.191  1.00  0.00           H  
HETATM   78  H   UNK A   3      -4.772  -0.608   4.155  1.00  0.00           H  
HETATM   79  H   UNK A   3      -5.391  -2.956   4.158  1.00  0.00           H  
HETATM   80  H   UNK A   3      -4.247   1.152   0.081  1.00  0.00           H  
HETATM   81  H   UNK A   3      -6.447   2.572  -2.822  1.00  0.00           H  
HETATM   82  H   UNK A   3      -6.516  -3.826   2.258  1.00  0.00           H  
CONECT    1    9    2   41   42                                       
CONECT    2    1    8    8    6                                       
CONECT    3    7    6    6   43                                       
CONECT    4    8    7    7   44                                       
CONECT    5    9   10   10   11                                       
CONECT    6    2    3    3   45                                       
CONECT    7    3    4    4   46                                       
CONECT    8    2    2    4   47                                       
CONECT    9    1    5                                                 
CONECT   10    5    5                                                 
CONECT   11   12   48    5                                            
CONECT   12   11   13   15   49                                       
CONECT   13   12   14   14   18                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   17   50                                       
CONECT   16   15   51   52   53                                       
CONECT   17   15   54   55   56                                       
CONECT   18   19   57   13                                            
CONECT   19   18   20   22   58                                       
CONECT   20   19   21   21   37                                       
CONECT   21   20   20                                                 
CONECT   22   19   23   59   60                                       
CONECT   23   22   24   28   61                                       
CONECT   24   23   25   62   63                                       
CONECT   25   24   26   64   65                                       
CONECT   26   25   27   66   67                                       
CONECT   27   26   28   68   69                                       
CONECT   28   23   27   70   71                                       
CONECT   29   30   31   37   72                                       
CONECT   30   32   29   73   74                                       
CONECT   31   40   29   75   76                                       
CONECT   32   36   30   33   33                                       
CONECT   33   32   32   34   77                                       
CONECT   34   35   35   33   78                                       
CONECT   35   38   34   34   79                                       
CONECT   36   39   39   38   32                                       
CONECT   37   29   80   20                                            
CONECT   38   36   35   82                                            
CONECT   39   36   36                                                 
CONECT   40   31   81                                                 
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   31                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   35                                                      
CONECT   80   37                                                      
CONECT   81   40                                                      
CONECT   82   38                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
