@MOLECULE 4-hydroxy-4-methyldihydro-2h-pyran-2,6(3h)-dione 18 18 0 0 0 SMALL USER_CHARGES @ATOM 1 O -1.2399 0.0554 -1.3852 O.3 1 UNL111111111 -0.5604 2 O 1.5234 -0.0348 0.0507 O.3 1 UNL111111111 -0.4641 3 O 1.6516 2.1346 -0.0639 O.2 1 UNL111111111 -0.4009 4 O 1.5214 -2.2100 -0.0992 O.2 1 UNL111111111 -0.4067 5 C -1.3012 0.0233 0.0240 C.3 1 UNL111111111 0.3654 6 C -0.5354 1.2823 0.4434 C.3 1 UNL111111111 -0.4267 7 C -0.5770 -1.2301 0.5336 C.3 1 UNL111111111 -0.4662 8 C -2.7563 0.0525 0.4836 C.3 1 UNL111111111 -0.5152 9 C 0.9225 1.2021 0.1124 C.2 1 UNL111111111 0.6364 10 C 0.8640 -1.2349 0.1260 C.2 1 UNL111111111 0.6364 11 H -0.6608 1.4842 1.5276 H 1 UNL111111111 0.1882 12 H -0.9706 2.1714 -0.0770 H 1 UNL111111111 0.2079 13 H -1.0682 -2.1521 0.1524 H 1 UNL111111111 0.1916 14 H -0.6492 -1.3064 1.6399 H 1 UNL111111111 0.1922 15 H -2.8477 0.1564 1.5703 H 1 UNL111111111 0.1623 16 H -3.2928 0.8966 0.0266 H 1 UNL111111111 0.1725 17 H -3.2958 -0.8574 0.1957 H 1 UNL111111111 0.1586 18 H -1.7653 -0.6589 -1.7956 H 1 UNL111111111 0.3287 @BOND 1 18 1 1 2 1 5 1 3 4 10 2 4 12 6 1 5 3 9 2 6 5 6 1 7 5 8 1 8 5 7 1 9 16 8 1 10 2 9 1 11 2 10 1 12 9 6 1 13 10 7 1 14 13 7 1 15 17 8 1 16 6 11 1 17 8 15 1 18 7 14 1