@MOLECULE (3-methyl-5-oxo-2,5-dihydro-2-furanyl)acetic acid 18 18 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.5658 0.9742 0.4152 O.3 1 UNL1 -0.4125 2 O 2.5311 1.9766 0.0435 O.2 1 UNL1 -0.4015 3 O -2.8888 -0.3932 0.9009 O.co2 1 UNL1 -0.4498 4 O -2.8084 1.1805 -0.6937 O.co2 1 UNL1 -0.0917 5 C 0.0314 -0.3561 0.3519 C.3 1 UNL1 0.0925 6 C 1.2174 -1.2359 -0.0288 C.2 1 UNL1 0.0661 7 C -1.0703 -0.3445 -0.7034 C.3 1 UNL1 -0.3717 8 C 2.2995 -0.4556 -0.1808 C.2 1 UNL1 -0.3329 9 C 1.0866 -2.6923 -0.1562 C.3 1 UNL1 -0.4601 10 C 1.9213 0.9521 0.0756 C.2 1 UNL1 0.5854 11 C -2.3644 0.1327 -0.0506 C.2 1 UNL1 0.4973 12 H -0.3496 -0.5766 1.3776 H 1 UNL1 0.1837 13 H -1.2520 -1.3586 -1.1167 H 1 UNL1 0.1873 14 H -0.7722 0.2973 -1.5614 H 1 UNL1 0.1937 15 H 3.3081 -0.7184 -0.4382 H 1 UNL1 0.1915 16 H 0.5406 -3.1371 0.6940 H 1 UNL1 0.1772 17 H 2.0633 -3.2015 -0.2061 H 1 UNL1 0.1730 18 H 0.5406 -2.9810 -1.0702 H 1 UNL1 0.1724 @BOND 1 14 7 1 2 13 7 1 3 18 9 1 4 7 11 1 5 7 5 1 6 4 11 ar 7 15 8 1 8 17 9 1 9 8 6 2 10 8 10 1 11 9 6 1 12 9 16 1 13 11 3 ar 14 6 5 1 15 2 10 2 16 10 1 1 17 5 1 1 18 5 12 1