COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0       0.194  -0.270  -7.613  1.00  0.00           C  
HETATM    2  O   UNK A   0       0.975  -0.180  -8.701  1.00  0.00           O  
HETATM    3  O   UNK A   0      -0.872  -0.833  -7.680  1.00  0.00           O  
HETATM    4  C   UNK A   0       0.313  -0.107  -4.139  1.00  0.00           C  
HETATM    5  C   UNK A   0       0.374   0.894  -3.182  1.00  0.00           C  
HETATM    6  C   UNK A   0       1.045   0.674  -1.995  1.00  0.00           C  
HETATM    7  C   UNK A   0       1.655  -0.543  -1.759  1.00  0.00           C  
HETATM    8  C   UNK A   0       1.600  -1.542  -2.714  1.00  0.00           C  
HETATM    9  C   UNK A   0       0.925  -1.329  -3.900  1.00  0.00           C  
HETATM   10  C   UNK A   0       0.649   0.330  -6.308  1.00  0.00           C  
HETATM   11  C   UNK A   0       2.385  -0.781  -0.463  1.00  0.00           C  
HETATM   12  C   UNK A   0       1.415  -1.355   0.571  1.00  0.00           C  
HETATM   13  O   UNK A   0      -0.346   0.106  -5.308  1.00  0.00           O  
HETATM   14  C   UNK A   0       0.859   1.812  -6.484  1.00  0.00           C  
HETATM   15  O   UNK A   0       1.755   2.262  -7.377  1.00  0.00           O  
HETATM   16  O   UNK A   0       0.222   2.596  -5.820  1.00  0.00           O  
HETATM   17  N   UNK A   0       0.321  -0.407   0.794  1.00  0.00           N  
HETATM   18  C   UNK A   0       2.146  -1.593   1.867  1.00  0.00           C  
HETATM   19  C   UNK A   0      -0.900  -0.857   1.139  1.00  0.00           C  
HETATM   20  N   UNK A   0       2.205  -0.618   2.796  1.00  0.00           N  
HETATM   21  O   UNK A   0       2.681  -2.661   2.074  1.00  0.00           O  
HETATM   22  C   UNK A   0       2.916  -0.849   4.056  1.00  0.00           C  
HETATM   23  C   UNK A   0       2.832   0.406   4.926  1.00  0.00           C  
HETATM   24  C   UNK A   0       3.574   0.164   6.242  1.00  0.00           C  
HETATM   25  C   UNK A   0       3.491   1.420   7.112  1.00  0.00           C  
HETATM   26  C   UNK A   0       4.233   1.179   8.429  1.00  0.00           C  
HETATM   27  O   UNK A   0      -1.095  -2.051   1.266  1.00  0.00           O  
ATOM     28  N   PHE A   1      -1.907   0.014   1.344  1.00  0.00           N  
ATOM     29  CA  PHE A   1      -3.235  -0.475   1.720  1.00  0.00           C  
ATOM     30  CB  PHE A   1      -3.940   0.573   2.582  1.00  0.00           C  
ATOM     31  C   PHE A   1      -4.047  -0.730   0.476  1.00  0.00           C  
ATOM     32  O   PHE A   1      -4.894  -1.592   0.473  1.00  0.00           O  
ATOM     33  OXT PHE A   1      -3.828  -0.001  -0.629  1.00  0.00           O  
ATOM     34  CG  PHE A   1      -3.129   0.829   3.826  1.00  0.00           C  
ATOM     35  CD1 PHE A   1      -2.160   1.814   3.829  1.00  0.00           C  
ATOM     36  CE1 PHE A   1      -1.416   2.049   4.970  1.00  0.00           C  
ATOM     37  CZ  PHE A   1      -1.641   1.298   6.108  1.00  0.00           C  
ATOM     38  CE2 PHE A   1      -2.611   0.313   6.106  1.00  0.00           C  
ATOM     39  CD2 PHE A   1      -3.358   0.082   4.966  1.00  0.00           C  
HETATM   40  H   UNK A   0       0.683  -0.566  -9.539  1.00  0.00           H  
HETATM   41  H   UNK A   0      -0.102   1.846  -3.365  1.00  0.00           H  
HETATM   42  H   UNK A   0       1.093   1.454  -1.249  1.00  0.00           H  
HETATM   43  H   UNK A   0       2.077  -2.493  -2.528  1.00  0.00           H  
HETATM   44  H   UNK A   0       0.879  -2.111  -4.644  1.00  0.00           H  
HETATM   45  H   UNK A   0       1.585  -0.135  -6.000  1.00  0.00           H  
HETATM   46  H   UNK A   0       2.791   0.161  -0.096  1.00  0.00           H  
HETATM   47  H   UNK A   0       3.199  -1.487  -0.629  1.00  0.00           H  
HETATM   48  H   UNK A   0       1.010  -2.298   0.204  1.00  0.00           H  
HETATM   49  H   UNK A   0       1.890   3.213  -7.490  1.00  0.00           H  
HETATM   50  H   UNK A   0       0.477   0.544   0.693  1.00  0.00           H  
HETATM   51  H   UNK A   0       1.777   0.235   2.630  1.00  0.00           H  
HETATM   52  H   UNK A   0       3.961  -1.078   3.847  1.00  0.00           H  
HETATM   53  H   UNK A   0       2.459  -1.687   4.582  1.00  0.00           H  
HETATM   54  H   UNK A   0       1.787   0.634   5.135  1.00  0.00           H  
HETATM   55  H   UNK A   0       3.289   1.244   4.400  1.00  0.00           H  
HETATM   56  H   UNK A   0       4.619  -0.063   6.034  1.00  0.00           H  
HETATM   57  H   UNK A   0       3.117  -0.673   6.769  1.00  0.00           H  
HETATM   58  H   UNK A   0       2.445   1.649   7.321  1.00  0.00           H  
HETATM   59  H   UNK A   0       3.947   2.258   6.586  1.00  0.00           H  
HETATM   60  H   UNK A   0       4.173   2.073   9.049  1.00  0.00           H  
HETATM   61  H   UNK A   0       3.776   0.341   8.955  1.00  0.00           H  
HETATM   62  H   UNK A   0       5.278   0.950   8.220  1.00  0.00           H  
ATOM     63  H   PHE A   1      -1.751   0.966   1.243  1.00  0.00           H  
ATOM     64  HA  PHE A   1      -3.135  -1.401   2.285  1.00  0.00           H  
ATOM     65  HB1 PHE A   1      -4.041   1.500   2.017  1.00  0.00           H  
ATOM     66  HB2 PHE A   1      -4.929   0.209   2.862  1.00  0.00           H  
ATOM     67  HXT PHE A   1      -4.349  -0.165  -1.427  1.00  0.00           H  
ATOM     68  HD1 PHE A   1      -1.984   2.401   2.939  1.00  0.00           H  
ATOM     69  HE1 PHE A   1      -0.658   2.818   4.972  1.00  0.00           H  
ATOM     70  HZ  PHE A   1      -1.059   1.480   7.000  1.00  0.00           H  
ATOM     71  HE2 PHE A   1      -2.787  -0.273   6.995  1.00  0.00           H  
ATOM     72  HD2 PHE A   1      -4.116  -0.687   4.964  1.00  0.00           H  
CONECT    1    2    3    3   10                                       
CONECT    2    1   40                                                 
CONECT    3    1    1                                                 
CONECT    4    5    5    9   13                                       
CONECT    5    4    4    6   41                                       
CONECT    6    5    7    7   42                                       
CONECT    7    6    6    8   11                                       
CONECT    8    7    9    9   43                                       
CONECT    9    4    8    8   44                                       
CONECT   10    1   13   14   45                                       
CONECT   11    7   12   46   47                                       
CONECT   12   11   17   18   48                                       
CONECT   13    4   10                                                 
CONECT   14   10   15   16   16                                       
CONECT   15   14   49                                                 
CONECT   16   14   14                                                 
CONECT   17   12   19   50                                            
CONECT   18   12   20   21   21                                       
CONECT   19   17   27   27   28                                       
CONECT   20   18   22   51                                            
CONECT   21   18   18                                                 
CONECT   22   20   23   52   53                                       
CONECT   23   22   24   54   55                                       
CONECT   24   23   25   56   57                                       
CONECT   25   24   26   58   59                                       
CONECT   26   25   60   61   62                                       
CONECT   27   19   19                                                 
CONECT   28   19   29   63                                            
CONECT   29   28   30   31   64                                       
CONECT   30   29   34   65   66                                       
CONECT   31   29   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   67                                                 
CONECT   34   30   35   35   39                                       
CONECT   35   34   34   36   68                                       
CONECT   36   35   37   37   69                                       
CONECT   37   36   36   38   70                                       
CONECT   38   37   39   39   71                                       
CONECT   39   34   38   38   72                                       
CONECT   40    2                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   15                                                      
CONECT   50   17                                                      
CONECT   51   20                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   23                                                      
CONECT   56   24                                                      
CONECT   57   24                                                      
CONECT   58   25                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   26                                                      
CONECT   62   26                                                      
CONECT   63   28                                                      
CONECT   64   29                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
CONECT   67   33                                                      
CONECT   68   35                                                      
CONECT   69   36                                                      
CONECT   70   37                                                      
CONECT   71   38                                                      
CONECT   72   39                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
