@MOLECULE (2S)-2-hydroxy-2,9-dihydro-1H-purine-6,8-dione 16 17 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.8988 -1.2868 0.6484 O.3 1 UNL111 -0.5358 2 O -0.9666 2.6176 0.0847 O.2 1 UNL111 -0.3938 3 O 3.6652 -0.2237 0.1517 O.2 1 UNL111 -0.3167 4 N -1.9960 0.6335 -0.2663 N.am 1 UNL111 -0.6975 5 N -0.7853 -1.5418 -0.2986 N.2 1 UNL111 -0.4878 6 N 1.6102 -1.3035 -0.0736 N.am 1 UNL111 -0.6043 7 N 1.6298 1.0381 0.0947 N.am 1 UNL111 -0.2859 8 C 0.2914 -0.8648 -0.1523 C.2 1 UNL111 0.3252 9 C 0.4058 0.6614 -0.0286 C.2 1 UNL111 0.0536 10 C -2.0638 -0.8496 -0.3701 C.3 1 UNL111 0.5021 11 C -0.8759 1.4234 -0.0500 C.2 1 UNL111 0.5660 12 C 2.4824 -0.1632 0.0700 C.2 1 UNL111 0.6366 13 H -2.6105 -1.1355 -1.3181 H 1 UNL111 0.1894 14 H -2.9053 1.0993 -0.2181 H 1 UNL111 0.3440 15 H 1.9004 -2.2630 -0.1334 H 1 UNL111 0.3612 16 H -2.4414 -1.4317 1.5073 H 1 UNL111 0.3437 @BOND 1 1 10 1 2 1 16 1 3 2 11 2 4 3 12 2 5 4 10 1 6 4 11 am 7 4 14 1 8 5 8 2 9 5 10 1 10 6 8 1 11 6 12 am 12 6 15 1 13 7 9 2 14 7 12 1 15 8 9 1 16 9 11 1 17 10 13 1