@MOLECULE (5s)-3-(1-hydroxyoctyl)-5-methyl-2(5h)-furanone 38 38 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.1678 -1.2501 1.0635 O.3 1 UNL111111111 -0.3938 2 O -2.2953 2.5625 -0.4726 O.3 1 UNL111111111 -0.5464 3 O -2.8055 0.8125 1.8623 O.2 1 UNL111111111 -0.4467 4 C 0.9692 0.7360 -0.7038 C.3 1 UNL111111111 -0.2659 5 C -0.0829 1.6798 -0.1192 C.3 1 UNL111111111 -0.3295 6 C 2.3003 0.8880 0.0437 C.3 1 UNL111111111 -0.2673 7 C -1.4477 1.4873 -0.8044 C.3 1 UNL111111111 0.1720 8 C 3.3402 -0.1013 -0.4968 C.3 1 UNL111111111 -0.2777 9 C -2.0700 0.1962 -0.3953 C.2 1 UNL111111111 -0.1916 10 C 4.6525 0.0082 0.2897 C.3 1 UNL111111111 -0.2731 11 C -2.9263 -1.9582 -0.1774 C.3 1 UNL111111111 0.1171 12 C -2.1985 -0.9619 -1.0557 C.2 1 UNL111111111 -0.1525 13 C 5.6582 -1.0523 -0.1777 C.3 1 UNL111111111 -0.2517 14 C -2.6907 0.0401 0.9540 C.2 1 UNL111111111 0.5877 15 C -4.2751 -2.3621 -0.7407 C.3 1 UNL111111111 -0.4703 16 C 6.9621 -0.9529 0.6141 C.3 1 UNL111111111 -0.4389 17 H 1.1159 0.9431 -1.7805 H 1 UNL111111111 0.1363 18 H 0.6206 -0.3123 -0.6384 H 1 UNL111111111 0.1357 19 H 0.2302 2.7361 -0.2451 H 1 UNL111111111 0.1636 20 H -0.1797 1.5294 0.9735 H 1 UNL111111111 0.1578 21 H 2.6753 1.9240 -0.0523 H 1 UNL111111111 0.1387 22 H 2.1477 0.7197 1.1270 H 1 UNL111111111 0.1418 23 H -1.3689 1.5837 -1.9145 H 1 UNL111111111 0.1524 24 H 3.5252 0.0880 -1.5701 H 1 UNL111111111 0.1344 25 H 2.9481 -1.1336 -0.4338 H 1 UNL111111111 0.1354 26 H 5.0844 1.0190 0.1695 H 1 UNL111111111 0.1375 27 H 4.4582 -0.1105 1.3723 H 1 UNL111111111 0.1390 28 H -2.2969 -2.8266 0.1140 H 1 UNL111111111 0.1563 29 H -1.8808 -1.2227 -2.0475 H 1 UNL111111111 0.1715 30 H 5.2231 -2.0630 -0.0623 H 1 UNL111111111 0.1329 31 H 5.8615 -0.9313 -1.2583 H 1 UNL111111111 0.1328 32 H -2.5194 2.5511 0.4869 H 1 UNL111111111 0.3362 33 H -4.1723 -2.9757 -1.6429 H 1 UNL111111111 0.1578 34 H -4.8500 -2.9406 -0.0018 H 1 UNL111111111 0.1721 35 H -4.8886 -1.4860 -0.9957 H 1 UNL111111111 0.1693 36 H 7.6829 -1.7113 0.2890 H 1 UNL111111111 0.1404 37 H 7.4350 0.0273 0.4858 H 1 UNL111111111 0.1430 38 H 6.7917 -1.0990 1.6868 H 1 UNL111111111 0.1434 @BOND 1 1 11 1 2 1 14 1 3 2 7 1 4 2 32 1 5 3 14 2 6 4 5 1 7 4 6 1 8 4 17 1 9 4 18 1 10 5 7 1 11 5 19 1 12 5 20 1 13 6 8 1 14 6 21 1 15 6 22 1 16 7 9 1 17 7 23 1 18 8 10 1 19 8 24 1 20 8 25 1 21 9 12 2 22 9 14 1 23 10 13 1 24 10 26 1 25 10 27 1 26 11 12 1 27 11 15 1 28 11 28 1 29 12 29 1 30 13 16 1 31 13 30 1 32 13 31 1 33 15 33 1 34 15 34 1 35 15 35 1 36 16 36 1 37 16 37 1 38 16 38 1