@MOLECULE (5s)-5-[(2z,6s,7e,9e)-13-(3-furyl)-2,6,10-trimethyl-2,7,9-tridecatrien-1-yl]-4-hydroxy-3-methyl-2(5h)-furanone 63 64 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.2380 2.5066 1.2244 O.3 1 UNL1111111111 -0.4205 2 O 3.0018 0.6361 -0.1395 O.2 1 UNL1111111111 -0.4382 3 O 0.6717 4.6471 0.7632 O.2 1 UNL1111111111 -0.4280 4 O -5.7925 -1.0252 0.7306 O.2 1 UNL1111111111 -0.1774 5 C 3.0937 -3.5259 0.5280 C.3 1 UNL1111111111 -0.2810 6 C 2.9024 -2.6936 -0.7582 C.3 1 UNL1111111111 -0.0900 7 C 0.8273 1.2225 0.9774 C.3 1 UNL1111111111 0.0480 8 C 1.0481 0.5160 2.3131 C.3 1 UNL1111111111 -0.3235 9 C 2.1450 -3.1507 1.6785 C.3 1 UNL1111111111 -0.2683 10 C 0.9970 -0.9671 2.0888 C.2 1 UNL1111111111 0.0268 11 C 2.1213 -1.6860 1.9608 C.2 1 UNL1111111111 -0.2232 12 C 2.1200 1.5501 0.2542 C.2 1 UNL1111111111 0.2299 13 C 3.5150 -3.4375 -1.9549 C.3 1 UNL1111111111 -0.4451 14 C 1.4593 -2.4138 -1.0518 C.2 1 UNL1111111111 -0.1624 15 C 2.2306 2.8844 0.0660 C.2 1 UNL1111111111 -0.2558 16 C -0.3721 -1.5474 1.9769 C.3 1 UNL1111111111 -0.4574 17 C -2.2761 0.4686 -2.4320 C.3 1 UNL1111111111 -0.3018 18 C -2.7467 1.4718 -1.3655 C.3 1 UNL1111111111 -0.2410 19 C 1.0439 3.5158 0.6731 C.2 1 UNL1111111111 0.5945 20 C -0.8020 0.2123 -2.3197 C.2 1 UNL1111111111 0.0913 21 C -2.6948 0.8791 0.0537 C.3 1 UNL1111111111 -0.2648 22 C 1.0525 -1.2680 -1.6178 C.2 1 UNL1111111111 -0.1813 23 C -0.3491 -0.9532 -1.8218 C.2 1 UNL1111111111 -0.2678 24 C 3.2891 3.6633 -0.5886 C.3 1 UNL1111111111 -0.3930 25 C -3.7824 -0.0936 0.2798 C.ar 1 UNL1111111111 -0.0599 26 C 0.0909 1.3100 -2.7882 C.3 1 UNL1111111111 -0.4664 27 C -3.6650 -1.5308 0.1716 C.ar 1 UNL1111111111 -0.2587 28 C -5.0855 0.1572 0.6212 C.ar 1 UNL1111111111 -0.0616 29 C -4.9022 -2.0402 0.4518 C.ar 1 UNL1111111111 -0.0168 30 H 2.9570 -4.6013 0.2962 H 1 UNL1111111111 0.1414 31 H 4.1440 -3.4261 0.8623 H 1 UNL1111111111 0.1389 32 H 3.4616 -1.7295 -0.6293 H 1 UNL1111111111 0.1285 33 H 0.0995 0.6822 0.3217 H 1 UNL1111111111 0.1799 34 H 0.2620 0.8393 3.0340 H 1 UNL1111111111 0.1869 35 H 1.9981 0.8368 2.7849 H 1 UNL1111111111 0.1633 36 H 1.1301 -3.5378 1.4525 H 1 UNL1111111111 0.1488 37 H 2.4588 -3.6929 2.5979 H 1 UNL1111111111 0.1459 38 H 3.1062 -1.2351 2.0766 H 1 UNL1111111111 0.1479 39 H 2.9937 -4.3810 -2.1509 H 1 UNL1111111111 0.1480 40 H 4.5720 -3.6664 -1.7851 H 1 UNL1111111111 0.1450 41 H 3.4471 -2.8338 -2.8679 H 1 UNL1111111111 0.1514 42 H 0.7651 -3.2035 -0.7767 H 1 UNL1111111111 0.1494 43 H -0.5272 -2.3607 2.7006 H 1 UNL1111111111 0.1606 44 H -0.5485 -1.9639 0.9722 H 1 UNL1111111111 0.1619 45 H -1.1697 -0.8126 2.1592 H 1 UNL1111111111 0.1640 46 H -2.8586 -0.4703 -2.3349 H 1 UNL1111111111 0.1542 47 H -2.5188 0.8558 -3.4427 H 1 UNL1111111111 0.1474 48 H -3.7801 1.7945 -1.5953 H 1 UNL1111111111 0.1391 49 H -2.1252 2.3870 -1.4045 H 1 UNL1111111111 0.1472 50 H -1.7038 0.4003 0.2188 H 1 UNL1111111111 0.1545 51 H -2.7426 1.7047 0.7979 H 1 UNL1111111111 0.1603 52 H 1.7708 -0.5122 -1.9451 H 1 UNL1111111111 0.1542 53 H -1.0529 -1.7337 -1.5292 H 1 UNL1111111111 0.1513 54 H 2.8831 4.3346 -1.3628 H 1 UNL1111111111 0.1591 55 H 4.0384 3.0161 -1.0707 H 1 UNL1111111111 0.1605 56 H 3.8263 4.3032 0.1310 H 1 UNL1111111111 0.1586 57 H -0.4623 2.1973 -3.1240 H 1 UNL1111111111 0.1579 58 H 0.7786 1.6496 -1.9986 H 1 UNL1111111111 0.1638 59 H 0.7133 0.9812 -3.6340 H 1 UNL1111111111 0.1619 60 H 2.7016 -0.3011 0.0985 H 1 UNL1111111111 0.3554 61 H -2.7700 -2.0549 -0.0823 H 1 UNL1111111111 0.1665 62 H -5.6709 1.0221 0.8182 H 1 UNL1111111111 0.1722 63 H -5.3353 -3.0105 0.5056 H 1 UNL1111111111 0.1674 @BOND 1 1 7 1 2 1 19 1 3 2 12 1 4 2 60 1 5 3 19 2 6 4 28 ar 7 4 29 ar 8 5 6 1 9 5 9 1 10 5 30 1 11 5 31 1 12 6 13 1 13 6 14 1 14 6 32 1 15 7 8 1 16 7 12 1 17 7 33 1 18 8 10 1 19 8 34 1 20 8 35 1 21 9 11 1 22 9 36 1 23 9 37 1 24 10 11 2 25 10 16 1 26 11 38 1 27 12 15 2 28 13 39 1 29 13 40 1 30 13 41 1 31 14 22 2 32 14 42 1 33 15 19 1 34 15 24 1 35 16 43 1 36 16 44 1 37 16 45 1 38 17 18 1 39 17 20 1 40 17 46 1 41 17 47 1 42 18 21 1 43 18 48 1 44 18 49 1 45 20 23 2 46 20 26 1 47 21 25 1 48 21 50 1 49 21 51 1 50 22 23 1 51 22 52 1 52 23 53 1 53 24 54 1 54 24 55 1 55 24 56 1 56 25 27 ar 57 25 28 ar 58 26 57 1 59 26 58 1 60 26 59 1 61 27 29 ar 62 27 61 1 63 28 62 1 64 29 63 1