@MOLECULE (5s)-5-(2,5-dihydroxyphenyl)-3-[(3e)-4,8-dimethyl-3,7-nonadien-1-yl]-2(5h)-furanone 51 52 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.3014 1.8519 -0.6197 O.3 1 UNL1111111111 -0.4131 2 O 4.0307 0.7758 0.2982 O.2 1 UNL1111111111 -0.4379 3 O -1.2798 1.1801 -2.5897 O.3 1 UNL1111111111 -0.4885 4 O -1.3131 2.8671 2.6014 O.3 1 UNL1111111111 -0.4680 5 C 1.1652 1.5179 -1.4463 C.3 1 UNL1111111111 0.1150 6 C 3.0070 -1.7747 -1.1048 C.3 1 UNL1111111111 -0.2524 7 C 2.4325 -0.4162 -1.1479 C.2 1 UNL1111111111 -0.1084 8 C 2.9139 -2.3579 0.3216 C.3 1 UNL1111111111 -0.2544 9 C 1.3344 0.0466 -1.7624 C.2 1 UNL1111111111 -0.1555 10 C -0.0875 1.7904 -0.6780 C.ar 1 UNL1111111111 -0.0693 11 C 3.0613 0.7103 -0.3988 C.2 1 UNL1111111111 0.5809 12 C 0.8275 -1.8591 1.6434 C.2 1 UNL1111111111 0.0443 13 C 1.4873 -2.5572 0.7094 C.2 1 UNL1111111111 -0.2375 14 C -0.6261 -2.1346 1.9059 C.3 1 UNL1111111111 -0.2884 15 C -1.4904 -1.0294 1.2641 C.3 1 UNL1111111111 -0.2658 16 C -1.3324 1.6134 -1.2963 C.ar 1 UNL1111111111 0.2022 17 C -0.0554 2.2240 0.6434 C.ar 1 UNL1111111111 -0.2294 18 C 1.4234 -0.7798 2.4811 C.3 1 UNL1111111111 -0.4586 19 C -2.7610 -1.5965 0.7230 C.2 1 UNL1111111111 -0.2266 20 C -1.2625 2.4567 1.3046 C.ar 1 UNL1111111111 0.2279 21 C -2.5378 1.8495 -0.6335 C.ar 1 UNL1111111111 -0.2190 22 C -2.5058 2.2762 0.6886 C.ar 1 UNL1111111111 -0.1702 23 C -2.8890 -2.0874 -0.5170 C.2 1 UNL1111111111 0.0476 24 C -1.7656 -2.1324 -1.4991 C.3 1 UNL1111111111 -0.4642 25 C -4.1909 -2.6328 -1.0086 C.3 1 UNL1111111111 -0.4558 26 H 1.2588 2.1740 -2.3444 H 1 UNL1111111111 0.1769 27 H 4.0731 -1.7519 -1.4221 H 1 UNL1111111111 0.1579 28 H 2.4924 -2.4492 -1.8200 H 1 UNL1111111111 0.1520 29 H 3.4560 -3.3249 0.3629 H 1 UNL1111111111 0.1441 30 H 3.4531 -1.6955 1.0309 H 1 UNL1111111111 0.1593 31 H 0.6217 -0.4665 -2.3819 H 1 UNL1111111111 0.1821 32 H 0.9842 -3.3410 0.1441 H 1 UNL1111111111 0.1427 33 H -0.9233 -3.1249 1.5067 H 1 UNL1111111111 0.1496 34 H -0.8267 -2.1908 2.9927 H 1 UNL1111111111 0.1476 35 H -0.9169 -0.5183 0.4612 H 1 UNL1111111111 0.1542 36 H -1.7039 -0.2365 2.0086 H 1 UNL1111111111 0.1455 37 H 0.9002 2.3802 1.1458 H 1 UNL1111111111 0.1871 38 H 2.3412 -0.3558 2.0479 H 1 UNL1111111111 0.1621 39 H 1.6857 -1.1617 3.4787 H 1 UNL1111111111 0.1597 40 H 0.7231 0.0549 2.6237 H 1 UNL1111111111 0.1537 41 H -3.5955 -1.5878 1.4191 H 1 UNL1111111111 0.1457 42 H -3.4876 1.6941 -1.1375 H 1 UNL1111111111 0.1625 43 H -3.4203 2.4674 1.2468 H 1 UNL1111111111 0.1767 44 H -2.1787 1.1221 -2.9931 H 1 UNL1111111111 0.3317 45 H -1.9595 -2.8129 -2.3357 H 1 UNL1111111111 0.1473 46 H -1.5732 -1.1336 -1.9201 H 1 UNL1111111111 0.1608 47 H -0.8281 -2.4612 -1.0233 H 1 UNL1111111111 0.1637 48 H -4.4840 -2.1720 -1.9611 H 1 UNL1111111111 0.1489 49 H -4.1230 -3.7174 -1.1761 H 1 UNL1111111111 0.1550 50 H -5.0139 -2.4678 -0.3015 H 1 UNL1111111111 0.1497 51 H -0.4101 3.0247 2.9714 H 1 UNL1111111111 0.3287 @BOND 1 1 5 1 2 1 11 1 3 2 11 2 4 3 16 1 5 3 44 1 6 4 20 1 7 4 51 1 8 5 9 1 9 5 10 1 10 5 26 1 11 6 7 1 12 6 8 1 13 6 27 1 14 6 28 1 15 7 9 2 16 7 11 1 17 8 13 1 18 8 29 1 19 8 30 1 20 9 31 1 21 10 16 ar 22 10 17 ar 23 12 13 2 24 12 14 1 25 12 18 1 26 13 32 1 27 14 15 1 28 14 33 1 29 14 34 1 30 15 19 1 31 15 35 1 32 15 36 1 33 16 21 ar 34 17 20 ar 35 17 37 1 36 18 38 1 37 18 39 1 38 18 40 1 39 19 23 2 40 19 41 1 41 20 22 ar 42 21 22 ar 43 21 42 1 44 22 43 1 45 23 24 1 46 23 25 1 47 24 45 1 48 24 46 1 49 24 47 1 50 25 48 1 51 25 49 1 52 25 50 1