@MOLECULE methyl (6e,7r)-7-hydroxy-6-[(3s)-9-hydroxy-3-methyl-2-oxononylidene]-3,7-dimethyl-6,7-dihydrocyclopenta[c]pyran-5-carboxylate 58 59 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.7506 -2.5613 -1.0495 O.3 1 UNL1111111111 -0.5473 2 O 4.9974 -2.6465 0.0243 O.2 1 UNL1111111111 -0.2715 3 O -0.6425 2.0027 -1.5398 O.2 1 UNL1111111111 -0.4559 4 O 3.3854 2.2961 -0.4823 O.3 1 UNL1111111111 -0.4101 5 O 1.4362 2.6005 0.5868 O.2 1 UNL1111111111 -0.5239 6 O -8.8257 -2.2760 -0.1929 O.3 1 UNL1111111111 -0.5557 7 C 1.2579 -1.8507 0.0527 C.3 1 UNL1111111111 0.3450 8 C 0.9136 -0.3469 -0.0530 C.2 1 UNL1111111111 0.0059 9 C 2.7727 -1.8554 0.0457 C.2 1 UNL1111111111 -0.2634 10 C -1.3930 2.1615 0.7327 C.3 1 UNL1111111111 -0.1829 11 C 3.2321 -0.4665 0.0580 C.2 1 UNL1111111111 0.1877 12 C 2.1714 0.3931 0.0350 C.2 1 UNL1111111111 -0.2741 13 C -2.5653 1.3331 1.2812 C.3 1 UNL1111111111 -0.2743 14 C -3.6582 1.0910 0.2332 C.3 1 UNL1111111111 -0.2721 15 C 0.6601 -2.5143 1.2834 C.3 1 UNL1111111111 -0.4592 16 C -0.3346 0.0656 -0.2634 C.2 1 UNL1111111111 -0.2899 17 C -4.7084 0.1094 0.7645 C.3 1 UNL1111111111 -0.2696 18 C -0.7601 1.4732 -0.4628 C.2 1 UNL1111111111 0.4935 19 C -5.8047 -0.1240 -0.2828 C.3 1 UNL1111111111 -0.2719 20 C 3.6484 -2.8660 0.0204 C.2 1 UNL1111111111 0.1318 21 C 4.6479 -0.2712 0.0879 C.2 1 UNL1111111111 -0.3528 22 C -1.8139 3.5812 0.3574 C.3 1 UNL1111111111 -0.4300 23 C 2.2353 1.8415 0.0933 C.2 1 UNL1111111111 0.6413 24 C -6.8471 -1.1130 0.2429 C.3 1 UNL1111111111 -0.2978 25 C 5.4581 -1.3539 0.0654 C.2 1 UNL1111111111 0.3012 26 C -7.9634 -1.3129 -0.7851 C.3 1 UNL1111111111 0.0035 27 C 6.9371 -1.3792 0.0753 C.3 1 UNL1111111111 -0.4716 28 C 3.5261 3.7120 -0.5305 C.3 1 UNL1111111111 -0.1695 29 H -0.6010 2.2277 1.5294 H 1 UNL1111111111 0.1808 30 H -2.9977 1.8537 2.1578 H 1 UNL1111111111 0.1408 31 H -2.1871 0.3665 1.6676 H 1 UNL1111111111 0.1385 32 H -4.1365 2.0515 -0.0399 H 1 UNL1111111111 0.1424 33 H -3.2170 0.7056 -0.7056 H 1 UNL1111111111 0.1419 34 H -1.1590 -0.6503 -0.3431 H 1 UNL1111111111 0.1848 35 H 0.9888 -2.0164 2.2035 H 1 UNL1111111111 0.1617 36 H 0.9437 -3.5719 1.3411 H 1 UNL1111111111 0.1559 37 H -0.4380 -2.4795 1.2496 H 1 UNL1111111111 0.1687 38 H -4.2311 -0.8517 1.0330 H 1 UNL1111111111 0.1368 39 H -5.1536 0.4983 1.6988 H 1 UNL1111111111 0.1356 40 H -5.3554 -0.5044 -1.2203 H 1 UNL1111111111 0.1402 41 H -6.2862 0.8374 -0.5429 H 1 UNL1111111111 0.1367 42 H 3.4816 -3.9369 -0.0099 H 1 UNL1111111111 0.1807 43 H 5.0388 0.7464 0.1086 H 1 UNL1111111111 0.2062 44 H -2.3030 4.0918 1.1913 H 1 UNL1111111111 0.1370 45 H -0.9351 4.1746 0.0644 H 1 UNL1111111111 0.1605 46 H -2.4960 3.5888 -0.5011 H 1 UNL1111111111 0.1509 47 H 0.9355 -2.0839 -1.8882 H 1 UNL1111111111 0.3297 48 H -6.3826 -2.0905 0.4793 H 1 UNL1111111111 0.1540 49 H -7.2820 -0.7616 1.1981 H 1 UNL1111111111 0.1524 50 H -7.5822 -1.7135 -1.7402 H 1 UNL1111111111 0.1108 51 H -8.5333 -0.3855 -0.9662 H 1 UNL1111111111 0.1101 52 H 7.3461 -2.3996 -0.0229 H 1 UNL1111111111 0.1807 53 H 7.3400 -0.9607 1.0132 H 1 UNL1111111111 0.1816 54 H 7.3549 -0.7841 -0.7545 H 1 UNL1111111111 0.1835 55 H 4.4800 3.8481 -1.0506 H 1 UNL1111111111 0.1395 56 H 3.5545 4.1247 0.4828 H 1 UNL1111111111 0.1363 57 H 2.6969 4.1522 -1.0972 H 1 UNL1111111111 0.1466 58 H -9.5769 -2.4685 -0.7823 H 1 UNL1111111111 0.3079 @BOND 1 1 7 1 2 1 47 1 3 2 20 1 4 2 25 1 5 3 18 2 6 4 23 1 7 4 28 1 8 5 23 2 9 6 26 1 10 6 58 1 11 7 8 1 12 7 9 1 13 7 15 1 14 8 12 1 15 8 16 2 16 9 11 1 17 9 20 2 18 10 13 1 19 10 18 1 20 10 22 1 21 10 29 1 22 11 12 2 23 11 21 1 24 12 23 1 25 13 14 1 26 13 30 1 27 13 31 1 28 14 17 1 29 14 32 1 30 14 33 1 31 15 35 1 32 15 36 1 33 15 37 1 34 16 18 1 35 16 34 1 36 17 19 1 37 17 38 1 38 17 39 1 39 19 24 1 40 19 40 1 41 19 41 1 42 20 42 1 43 21 25 2 44 21 43 1 45 22 44 1 46 22 45 1 47 22 46 1 48 24 26 1 49 24 48 1 50 24 49 1 51 25 27 1 52 26 50 1 53 26 51 1 54 27 52 1 55 27 53 1 56 27 54 1 57 28 55 1 58 28 56 1 59 28 57 1