@MOLECULE (2s)-2-[(1e,3e)-1,3-hexadien-1-yl]-5-(2-hydroxypropyl)-2-methyl-3(2h)-furanone 37 37 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.3275 0.1709 0.8401 O.2 1 UNL1111111111 -0.3589 2 O -0.8408 -2.7893 -1.2188 O.3 1 UNL1111111111 -0.5618 3 O -2.1557 2.8265 -1.3315 O.2 1 UNL1111111111 -0.4333 4 C -1.1144 1.5713 0.4861 C.3 1 UNL1111111111 0.1440 5 C -2.1809 -0.3887 -0.0695 C.2 1 UNL1111111111 0.3506 6 C -2.4250 -1.8240 0.1829 C.3 1 UNL1111111111 -0.3447 7 C -2.0350 1.7821 -0.7581 C.2 1 UNL1111111111 0.4647 8 C -2.6427 0.4802 -1.0005 C.2 1 UNL1111111111 -0.4939 9 C -1.5621 2.3923 1.6768 C.3 1 UNL1111111111 -0.4600 10 C -1.0996 -2.6128 0.1636 C.3 1 UNL1111111111 0.2004 11 C 0.3159 1.7661 0.1316 C.2 1 UNL1111111111 -0.2089 12 C -1.2398 -3.9723 0.8447 C.3 1 UNL1111111111 -0.5090 13 C 1.2690 0.8626 0.3941 C.2 1 UNL1111111111 -0.1137 14 C 2.6612 1.0691 0.0244 C.2 1 UNL1111111111 -0.2007 15 C 3.6168 0.1774 0.3229 C.2 1 UNL1111111111 -0.1129 16 C 5.0521 0.3768 -0.0378 C.3 1 UNL1111111111 -0.2677 17 C 5.6669 -0.9189 -0.5716 C.3 1 UNL1111111111 -0.4322 18 H -2.9404 -1.9638 1.1571 H 1 UNL1111111111 0.1766 19 H -3.1056 -2.2453 -0.5944 H 1 UNL1111111111 0.1932 20 H -3.3117 0.2978 -1.8147 H 1 UNL1111111111 0.1987 21 H -2.5873 2.1415 1.9788 H 1 UNL1111111111 0.1617 22 H -1.5364 3.4668 1.4430 H 1 UNL1111111111 0.1727 23 H -0.9138 2.2217 2.5468 H 1 UNL1111111111 0.1641 24 H -0.2636 -2.0209 0.6019 H 1 UNL1111111111 0.1278 25 H 0.5234 2.7154 -0.3664 H 1 UNL1111111111 0.1725 26 H -2.0132 -4.5810 0.3588 H 1 UNL1111111111 0.1636 27 H -1.5073 -3.8711 1.9021 H 1 UNL1111111111 0.1569 28 H -0.3047 -4.5418 0.7974 H 1 UNL1111111111 0.1525 29 H 1.0353 -0.0784 0.8985 H 1 UNL1111111111 0.1527 30 H -0.0215 -3.2985 -1.3620 H 1 UNL1111111111 0.3175 31 H 2.8875 1.9899 -0.5146 H 1 UNL1111111111 0.1556 32 H 3.3989 -0.7460 0.8575 H 1 UNL1111111111 0.1423 33 H 5.6121 0.7220 0.8584 H 1 UNL1111111111 0.1490 34 H 5.1743 1.1853 -0.7875 H 1 UNL1111111111 0.1473 35 H 5.6449 -1.7163 0.1789 H 1 UNL1111111111 0.1417 36 H 6.7122 -0.7707 -0.8647 H 1 UNL1111111111 0.1426 37 H 5.1249 -1.2794 -1.4550 H 1 UNL1111111111 0.1489 @BOND 1 1 4 1 2 1 5 1 3 2 10 1 4 2 30 1 5 3 7 2 6 4 7 1 7 4 9 1 8 4 11 1 9 5 6 1 10 5 8 2 11 6 10 1 12 6 18 1 13 6 19 1 14 7 8 1 15 8 20 1 16 9 21 1 17 9 22 1 18 9 23 1 19 10 12 1 20 10 24 1 21 11 13 2 22 11 25 1 23 12 26 1 24 12 27 1 25 12 28 1 26 13 14 1 27 13 29 1 28 14 15 2 29 14 31 1 30 15 16 1 31 15 32 1 32 16 17 1 33 16 33 1 34 16 34 1 35 17 35 1 36 17 36 1 37 17 37 1