########## Name:		UNNAMED
########## Grid Score:          -33.120888
##########          vdw:          -22.171465
##########           es:          -10.949423
##########

@<TRIPOS>MOLECULE
UNNAMED
 20 20 1 0 0
BIOPOLYMER
GAST_HUCK


@<TRIPOS>ATOM
      1 C1         14.2619   56.6320   55.3548 C.3     1  ARA1        0.1850
      2 H1         14.2348   55.5975   55.7270 H       1  ARA1        0.0935
      3 O5         15.1546   56.7166   54.2310 O.3     1  ARA1       -0.3462
      4 C5         14.7650   55.7684   53.1718 C.3     1  ARA1        0.0792
      5 H6         14.6697   54.7551   53.5888 H       1  ARA1        0.0587
      6 H5         15.5186   55.7658   52.3714 H       1  ARA1        0.0587
      7 C4         13.4223   56.2385   52.6250 C.3     1  ARA1        0.1069
      8 H4         13.0914   55.5142   51.8666 H       1  ARA1        0.0643
      9 O4         13.5140   57.5217   51.9849 O.3     1  ARA1       -0.3869
     10 H10        13.2197   57.4488   51.0847 H       1  ARA1        0.2100
     11 C3         12.3897   56.2427   53.7632 C.3     1  ARA1        0.1137
     12 H3         12.2514   55.2112   54.1201 H       1  ARA1        0.0647
     13 O3         11.1500   56.7129   53.2469 O.3     1  ARA1       -0.3864
     14 H9         10.4989   56.0232   53.3082 H       1  ARA1        0.2100
     15 C2         12.8756   57.0903   54.9385 C.3     1  ARA1        0.1339
     16 H2         12.9419   58.1365   54.6064 H       1  ARA1        0.0671
     17 O2         11.9569   57.0320   56.0354 O.3     1  ARA1       -0.3841
     18 H8         11.0820   57.2347   55.7262 H       1  ARA1        0.2101
     19 O1         14.6480   57.5047   56.3723 O.3     1  ARA1       -0.3649
     20 H7         15.4844   57.2266   56.7274 H       1  ARA1        0.2126
@<TRIPOS>BOND
     1     1     2    1
     2     1     3    1
     3     1    15    1
     4     1    19    1
     5     3     4    1
     6     4     5    1
     7     4     6    1
     8     4     7    1
     9     7     8    1
    10     7     9    1
    11     7    11    1
    12     9    10    1
    13    11    12    1
    14    11    13    1
    15    11    15    1
    16    13    14    1
    17    15    16    1
    18    15    17    1
    19    17    18    1
    20    19    20    1
@<TRIPOS>SUBSTRUCTURE
     1 ARA1        1 TEMP              0 ****  ****    0 ROOT