@MOLECULE (5r)-5-methyl-2(5h)-furanone 13 13 0 0 0 SMALL USER_CHARGES @ATOM 1 O 0.0529 -0.8926 0.3522 O.3 1 UNL111111111 -0.4062 2 O 2.2009 -0.5684 -0.1877 O.2 1 UNL111111111 -0.4179 3 C -1.1414 -0.0882 0.4637 C.3 1 UNL111111111 0.1122 4 C -0.6908 1.3189 0.1209 C.2 1 UNL111111111 -0.1250 5 C -2.1624 -0.6393 -0.5134 C.3 1 UNL111111111 -0.4702 6 C 0.6167 1.3052 -0.1650 C.2 1 UNL111111111 -0.2792 7 C 1.1178 -0.0899 -0.0318 C.2 1 UNL111111111 0.5801 8 H -1.4570 -0.1939 1.5247 H 1 UNL111111111 0.1554 9 H -1.3823 2.1404 0.1262 H 1 UNL111111111 0.1674 10 H -2.3257 -1.7140 -0.3400 H 1 UNL111111111 0.1729 11 H -3.1295 -0.1334 -0.4204 H 1 UNL111111111 0.1567 12 H -1.8250 -0.5404 -1.5543 H 1 UNL111111111 0.1661 13 H 1.2757 2.1034 -0.4514 H 1 UNL111111111 0.1877 @BOND 1 12 5 1 2 5 11 1 3 5 10 1 4 5 3 1 5 13 6 1 6 2 7 2 7 6 7 1 8 6 4 2 9 7 1 1 10 4 9 1 11 4 3 1 12 1 3 1 13 3 8 1