COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0       4.737  -1.614   3.789  1.00  0.00           C  
HETATM    2  O   UNK A   0       5.639  -2.001   1.279  1.00  0.00           O  
HETATM    3  O   UNK A   0       1.237  -1.578  -1.895  1.00  0.00           O  
HETATM    4  O   UNK A   0       8.832   1.559   1.765  1.00  0.00           O  
HETATM    5  O   UNK A   0      10.658   2.821   0.563  1.00  0.00           O  
HETATM    6  O   UNK A   0      10.130   0.309  -0.003  1.00  0.00           O  
HETATM    7  C   UNK A   0       7.333   0.308  -1.623  1.00  0.00           C  
HETATM    8  C   UNK A   0       6.210   1.607   0.056  1.00  0.00           C  
HETATM    9  C   UNK A   0       6.231  -0.520  -1.715  1.00  0.00           C  
HETATM   10  C   UNK A   0       5.106   0.783  -0.049  1.00  0.00           C  
HETATM   11  N   UNK A   0       3.882  -1.727   2.605  1.00  0.00           N  
HETATM   12  O   UNK A   0       8.408   2.190  -0.642  1.00  0.00           O  
HETATM   13  C   UNK A   0       4.434  -1.921   1.391  1.00  0.00           C  
HETATM   14  C   UNK A   0       1.330  -1.099  -0.784  1.00  0.00           C  
HETATM   15  C   UNK A   0       7.325   1.375  -0.736  1.00  0.00           C  
HETATM   16  C   UNK A   0       5.119  -0.283  -0.929  1.00  0.00           C  
HETATM   17  C   UNK A   0       3.554  -2.037   0.173  1.00  0.00           C  
HETATM   18  C   UNK A   0       2.690  -0.829  -0.192  1.00  0.00           C  
HETATM   19  C   UNK A   0       3.913  -1.180  -1.042  1.00  0.00           C  
HETATM   20  P   UNK A   0       9.493   1.716   0.450  1.00  0.00           P  
ATOM     21  N   GLU A   1       0.219  -0.810  -0.079  1.00  0.00           N  
ATOM     22  CA  GLU A   1      -1.103  -1.073  -0.655  1.00  0.00           C  
ATOM     23  C   GLU A   1      -2.118  -0.158  -0.020  1.00  0.00           C  
ATOM     24  O   GLU A   1      -1.772   0.635   0.830  1.00  0.00           O  
ATOM     25  CB  GLU A   1      -1.493  -2.529  -0.392  1.00  0.00           C  
ATOM     26  CG  GLU A   1      -0.534  -3.457  -1.140  1.00  0.00           C  
ATOM     27  CD  GLU A   1      -0.918  -4.891  -0.881  1.00  0.00           C  
ATOM     28  OE1 GLU A   1      -1.862  -5.144  -0.171  1.00  0.00           O  
ATOM     29  OE2 GLU A   1      -0.211  -5.886  -1.439  1.00  0.00           O  
ATOM     30  N   GLU A   2      -3.411  -0.222  -0.396  1.00  0.00           N  
ATOM     31  CA  GLU A   2      -4.398   0.667   0.222  1.00  0.00           C  
ATOM     32  C   GLU A   2      -5.765   0.040   0.131  1.00  0.00           C  
ATOM     33  O   GLU A   2      -5.902  -1.043  -0.398  1.00  0.00           O  
ATOM     34  CB  GLU A   2      -4.403   2.011  -0.511  1.00  0.00           C  
ATOM     35  CG  GLU A   2      -3.054   2.704  -0.314  1.00  0.00           C  
ATOM     36  CD  GLU A   2      -3.059   4.028  -1.035  1.00  0.00           C  
ATOM     37  OE1 GLU A   2      -4.041   4.379  -1.645  1.00  0.00           O  
ATOM     38  OE2 GLU A   2      -1.973   4.815  -1.001  1.00  0.00           O  
ATOM     39  N   ILE A   3      -6.836   0.683   0.637  1.00  0.00           N  
ATOM     40  CA  ILE A   3      -8.165   0.073   0.548  1.00  0.00           C  
ATOM     41  C   ILE A   3      -8.781   0.401  -0.788  1.00  0.00           C  
ATOM     42  O   ILE A   3      -8.172   1.075  -1.584  1.00  0.00           O  
ATOM     43  CB  ILE A   3      -9.054   0.621   1.667  1.00  0.00           C  
ATOM     44  CG1 ILE A   3     -10.400  -0.105   1.652  1.00  0.00           C  
ATOM     45  CG2 ILE A   3      -9.280   2.119   1.451  1.00  0.00           C  
ATOM     46  CD1 ILE A   3     -11.240   0.353   2.846  1.00  0.00           C  
ATOM     47  OXT ILE A   3     -10.006  -0.055  -1.093  1.00  0.00           O  
HETATM   48  H   UNK A   0       4.117  -1.461   4.672  1.00  0.00           H  
HETATM   49  H   UNK A   0       5.318  -2.528   3.907  1.00  0.00           H  
HETATM   50  H   UNK A   0      11.347   2.601   1.204  1.00  0.00           H  
HETATM   51  H   UNK A   0      10.580   0.338  -0.858  1.00  0.00           H  
HETATM   52  H   UNK A   0       8.202   0.122  -2.237  1.00  0.00           H  
HETATM   53  H   UNK A   0       6.200   2.440   0.744  1.00  0.00           H  
HETATM   54  H   UNK A   0       6.238  -1.353  -2.403  1.00  0.00           H  
HETATM   55  H   UNK A   0       4.238   0.964   0.567  1.00  0.00           H  
HETATM   56  H   UNK A   0       3.140  -3.028  -0.014  1.00  0.00           H  
HETATM   57  H   UNK A   0       2.757   0.050   0.449  1.00  0.00           H  
HETATM   58  H   UNK A   0       3.735  -1.606  -2.029  1.00  0.00           H  
HETATM   59  H   UNK A   0       5.413  -0.767   3.669  1.00  0.00           H  
HETATM   60  H   UNK A   0       2.918  -1.663   2.695  1.00  0.00           H  
ATOM     61  H   GLU A   1       0.294  -0.427   0.809  1.00  0.00           H  
ATOM     62  HA  GLU A   1      -1.073  -0.893  -1.729  1.00  0.00           H  
ATOM     63  HB1 GLU A   1      -1.436  -2.733   0.677  1.00  0.00           H  
ATOM     64  HB2 GLU A   1      -2.511  -2.701  -0.741  1.00  0.00           H  
ATOM     65  HG1 GLU A   1      -0.590  -3.253  -2.209  1.00  0.00           H  
ATOM     66  HG2 GLU A   1       0.485  -3.285  -0.791  1.00  0.00           H  
ATOM     67  HE2 GLU A   1      -0.496  -6.789  -1.244  1.00  0.00           H  
ATOM     68  H   GLU A   2      -3.687  -0.856  -1.075  1.00  0.00           H  
ATOM     69  HA  GLU A   2      -4.140   0.826   1.269  1.00  0.00           H  
ATOM     70  HB1 GLU A   2      -4.574   1.844  -1.575  1.00  0.00           H  
ATOM     71  HB2 GLU A   2      -5.198   2.640  -0.110  1.00  0.00           H  
ATOM     72  HG1 GLU A   2      -2.884   2.872   0.750  1.00  0.00           H  
ATOM     73  HG2 GLU A   2      -2.260   2.075  -0.715  1.00  0.00           H  
ATOM     74  HE2 GLU A   2      -2.024   5.654  -1.479  1.00  0.00           H  
ATOM     75  H   ILE A   3      -6.727   1.549   1.059  1.00  0.00           H  
ATOM     76  HA  ILE A   3      -8.077  -1.008   0.652  1.00  0.00           H  
ATOM     77  HB  ILE A   3      -8.566   0.463   2.629  1.00  0.00           H  
ATOM     78 HG11 ILE A   3     -10.927   0.125   0.727  1.00  0.00           H  
ATOM     79 HG12 ILE A   3     -10.233  -1.181   1.717  1.00  0.00           H  
ATOM     80 HG21 ILE A   3      -9.768   2.277   0.489  1.00  0.00           H  
ATOM     81 HG22 ILE A   3      -9.913   2.510   2.248  1.00  0.00           H  
ATOM     82 HG23 ILE A   3      -8.321   2.637   1.462  1.00  0.00           H  
ATOM     83 HD11 ILE A   3     -12.199  -0.165   2.835  1.00  0.00           H  
ATOM     84 HD12 ILE A   3     -10.713   0.123   3.771  1.00  0.00           H  
ATOM     85 HD13 ILE A   3     -11.407   1.428   2.781  1.00  0.00           H  
ATOM     86  HXT ILE A   3     -10.359   0.181  -1.961  1.00  0.00           H  
CONECT    1   48   49   59   11                                       
CONECT    2   13   13                                                 
CONECT    3   14   14                                                 
CONECT    4   20   20                                                 
CONECT    5   20   50                                                 
CONECT    6   51   20                                                 
CONECT    7    9   52   15   15                                       
CONECT    8   10   10   15   53                                       
CONECT    9    7   54   16   16                                       
CONECT   10    8    8   16   55                                       
CONECT   11    1   13   60                                            
CONECT   12   15   20                                                 
CONECT   13   11    2    2   17                                       
CONECT   14    3    3   18   21                                       
CONECT   15    8   12    7    7                                       
CONECT   16   10    9    9   19                                       
CONECT   17   13   18   56   19                                       
CONECT   18   17   14   57   19                                       
CONECT   19   16   17   18   58                                       
CONECT   20    4    4    5   12                                       
CONECT   20    6                                                      
CONECT   21   22   61   14                                            
CONECT   22   21   23   25   62                                       
CONECT   23   22   24   24   30                                       
CONECT   24   23   23                                                 
CONECT   25   22   26   63   64                                       
CONECT   26   25   27   65   66                                       
CONECT   27   26   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   67                                                 
CONECT   30   31   68   23                                            
CONECT   31   30   32   34   69                                       
CONECT   32   31   33   33   39                                       
CONECT   33   32   32                                                 
CONECT   34   31   35   70   71                                       
CONECT   35   34   36   72   73                                       
CONECT   36   35   37   37   38                                       
CONECT   37   36   36                                                 
CONECT   38   36   74                                                 
CONECT   39   40   75   32                                            
CONECT   40   39   41   43   76                                       
CONECT   41   40   42   42   47                                       
CONECT   42   41   41                                                 
CONECT   43   40   44   45   77                                       
CONECT   44   43   46   78   79                                       
CONECT   45   43   80   81   82                                       
CONECT   46   44   83   84   85                                       
CONECT   47   41   86                                                 
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59    1                                                      
CONECT   60   11                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   25                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   31                                                      
CONECT   70   34                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
CONECT   73   35                                                      
CONECT   74   38                                                      
CONECT   75   39                                                      
CONECT   76   40                                                      
CONECT   77   43                                                      
CONECT   78   44                                                      
CONECT   79   44                                                      
CONECT   80   45                                                      
CONECT   81   45                                                      
CONECT   82   45                                                      
CONECT   83   46                                                      
CONECT   84   46                                                      
CONECT   85   46                                                      
CONECT   86   47                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
