########## Name:		1ABE.pdb
##########    Grid Score:          -36.147507
##########           vdw:          -21.315907
##########            es:          -14.831600

@<TRIPOS>MOLECULE
1ABE.pdb
 20 20 1 0 0
SMALL
AMBER99


@<TRIPOS>ATOM
      1 C1         14.3081   56.5459   55.2717 C.3     1  ARA307      0.3170
      2 C2         12.9442   57.0328   54.8156 C.3     1  ARA307      0.0447
      3 C3         12.5078   56.2445   53.5810 C.3     1  ARA307      0.0795
      4 C4         13.5908   56.2865   52.4914 C.3     1  ARA307      0.1145
      5 C5         14.9052   55.7822   53.0752 C.3     1  ARA307      0.1385
      6 O1         14.6521   57.3674   56.3454 O.3     1  ARA307     -0.5790
      7 O2         11.9767   56.9295   55.8662 O.3     1  ARA307     -0.5844
      8 O3         11.2950   56.7469   53.0323 O.3     1  ARA307     -0.6055
      9 O4         13.7175   57.5977   51.9173 O.3     1  ARA307     -0.5928
     10 O5         15.2510   56.6769   54.1942 O.3     1  ARA307     -0.4338
     11 H1         14.2484   55.5070   55.5961 H       1  ARA307      0.0699
     12 H52        14.7870   54.7604   53.4358 H       1  ARA307      0.0371
     13 H53        15.6865   55.8193   52.3159 H       1  ARA307      0.0966
     14 H4         13.2930   55.6014   51.6976 H       1  ARA307      0.0554
     15 H3         12.3510   55.2059   53.8721 H       1  ARA307      0.0455
     16 H2         13.0330   58.0825   54.5360 H       1  ARA307      0.1079
     17 HO2        11.7429   56.0075   55.9962 H       1  ARA307      0.4075
     18 HO1        15.4013   56.9889   56.8113 H       1  ARA307      0.4291
     19 HO4        12.8997   57.8324   51.4725 H       1  ARA307      0.4237
     20 HO3        10.5487   56.3279   53.4672 H       1  ARA307      0.4289
@<TRIPOS>BOND
     1     1    10    1
     2     5    10    1
     3     4     5    1
     4    14     4    1
     5     4     9    1
     6    19     9    1
     7     3     4    1
     8     3     8    1
     9    20     8    1
    10     2     3    1
    11     2     7    1
    12    17     7    1
    13     1     2    1
    14    16     2    1
    15    15     3    1
    16    13     5    1
    17    12     5    1
    18     1     6    1
    19    18     6    1
    20    11     1    1
@<TRIPOS>SUBSTRUCTURE
     1 ARA307        1 TEMP              0 ****  ****    0 ROOT