########## Name: UNNAMED ########## Grid Score: -31.044891 ########## Grid_vdw: -22.085131 ########## Grid_es: -8.959761 ########## Int_energy: 0.528640 @MOLECULE UNNAMED 20 20 1 0 0 BIOPOLYMER GAST_HUCK @ATOM 1 C1 14.2050 56.6323 55.3926 C.3 1 ARA1 0.1850 2 H1 14.1011 55.6134 55.7933 H 1 ARA1 0.0935 3 O5 15.1022 56.6192 54.2692 O.3 1 ARA1 -0.3462 4 C5 14.6441 55.6733 53.2358 C.3 1 ARA1 0.0792 5 H6 14.4737 54.6818 53.6805 H 1 ARA1 0.0587 6 H5 15.3960 55.5925 52.4378 H 1 ARA1 0.0587 7 C4 13.3402 56.2259 52.6725 C.3 1 ARA1 0.1069 8 H4 12.9571 55.5073 51.9336 H 1 ARA1 0.0643 9 O4 13.5272 57.4804 51.9972 O.3 1 ARA1 -0.3869 10 H10 14.0506 57.3453 51.2162 H 1 ARA1 0.2100 11 C3 12.3100 56.3383 53.8073 C.3 1 ARA1 0.1137 12 H3 12.0956 55.3303 54.1925 H 1 ARA1 0.0647 13 O3 11.1089 56.8844 53.2748 O.3 1 ARA1 -0.3864 14 H9 10.5446 56.1796 52.9778 H 1 ARA1 0.2100 15 C2 12.8566 57.1802 54.9599 C.3 1 ARA1 0.1339 16 H2 13.0005 58.2089 54.5991 H 1 ARA1 0.0671 17 O2 11.9355 57.2207 56.0556 O.3 1 ARA1 -0.3841 18 H8 11.1632 56.7122 55.8384 H 1 ARA1 0.2101 19 O1 14.6541 57.5021 56.3864 O.3 1 ARA1 -0.3649 20 H7 15.5153 57.2290 56.6806 H 1 ARA1 0.2126 @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 @SUBSTRUCTURE 1 ARA1 1 TEMP 0 **** **** 0 ROOT