@MOLECULE 3-(1-hydroxybutyl)-4-methyldihydro-2(3h)-furanone 28 28 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.7321 0.3876 0.4231 O.3 1 UNL1111111111 -0.3791 2 O 0.9075 1.7829 0.2042 O.3 1 UNL1111111111 -0.5588 3 O -1.7102 2.0243 -0.6835 O.2 1 UNL1111111111 -0.4513 4 C -0.5450 -0.1041 -0.3784 C.3 1 UNL1111111111 -0.3188 5 C -1.1010 -1.3882 0.2691 C.3 1 UNL1111111111 -0.1168 6 C 0.7432 0.3938 0.3116 C.3 1 UNL1111111111 0.1725 7 C -2.4807 -0.9618 0.8222 C.3 1 UNL1111111111 -0.0557 8 C 1.9731 -0.2995 -0.2975 C.3 1 UNL1111111111 -0.3262 9 C -1.6619 0.9084 -0.2481 C.2 1 UNL1111111111 0.5975 10 C -1.2279 -2.5268 -0.7367 C.3 1 UNL1111111111 -0.4546 11 C 3.2277 0.0550 0.5093 C.3 1 UNL1111111111 -0.2379 12 C 4.4760 -0.5559 -0.1252 C.3 1 UNL1111111111 -0.4426 13 H -0.3436 -0.2589 -1.4663 H 1 UNL1111111111 0.1849 14 H -0.4462 -1.7212 1.1075 H 1 UNL1111111111 0.1516 15 H 0.6962 0.2475 1.4173 H 1 UNL1111111111 0.1430 16 H -3.3221 -1.5448 0.4146 H 1 UNL1111111111 0.1476 17 H -2.5234 -0.9571 1.9235 H 1 UNL1111111111 0.1421 18 H 2.1045 0.0214 -1.3481 H 1 UNL1111111111 0.1505 19 H 1.8271 -1.3937 -0.3200 H 1 UNL1111111111 0.1390 20 H -0.2509 -2.8087 -1.1493 H 1 UNL1111111111 0.1524 21 H -1.6508 -3.4269 -0.2735 H 1 UNL1111111111 0.1515 22 H -1.8753 -2.2613 -1.5820 H 1 UNL1111111111 0.1562 23 H 3.1236 -0.2917 1.5540 H 1 UNL1111111111 0.1307 24 H 3.3282 1.1595 0.5675 H 1 UNL1111111111 0.1589 25 H 0.4713 2.1647 -0.5869 H 1 UNL1111111111 0.3396 26 H 5.3735 -0.3127 0.4550 H 1 UNL1111111111 0.1424 27 H 4.6338 -0.1795 -1.1423 H 1 UNL1111111111 0.1437 28 H 4.4074 -1.6472 -0.1826 H 1 UNL1111111111 0.1379 @BOND 1 1 7 1 2 1 9 1 3 2 6 1 4 2 25 1 5 3 9 2 6 4 5 1 7 4 6 1 8 4 9 1 9 4 13 1 10 5 7 1 11 5 10 1 12 5 14 1 13 6 8 1 14 6 15 1 15 7 16 1 16 7 17 1 17 8 11 1 18 8 18 1 19 8 19 1 20 10 20 1 21 10 21 1 22 10 22 1 23 11 12 1 24 11 23 1 25 11 24 1 26 12 26 1 27 12 27 1 28 12 28 1