@MOLECULE (4z,4as,8r,9r,11ar)-8,9-dihydroxy-4-[(2e)-4-hydroxy-4-methyl-2-penten-1-ylidene]-7,11-bis(methylene)decahydrocyclonona[c]pyran-3(1h)-one 53 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.8733 -0.7177 2.2787 O.3 1 UNL1111 -0.3938 2 O 4.8843 -1.8312 -1.1433 O.3 1 UNL1111 -0.5630 3 O 4.9664 0.8390 -1.8275 O.3 1 UNL1111 -0.5568 4 O -2.3425 0.8967 2.1006 O.2 1 UNL1111 -0.4509 5 O -5.8950 0.8436 0.0645 O.3 1 UNL1111 -0.5685 6 C 0.5274 0.4528 0.0217 C.3 1 UNL1111 -0.0959 7 C 1.1628 -0.6137 0.9541 C.3 1 UNL1111 -0.1873 8 C 1.0550 1.8721 0.3330 C.3 1 UNL1111 -0.2703 9 C 2.1387 -1.4929 0.2194 C.2 1 UNL1111 0.0262 10 C 0.0777 -1.5070 1.5765 C.3 1 UNL1111 -0.0327 11 C 2.2986 2.2471 -0.4841 C.3 1 UNL1111 -0.2894 12 C -0.9664 0.4668 0.1749 C.2 1 UNL1111 -0.1852 13 C 3.5380 -1.5169 0.7559 C.3 1 UNL1111 -0.3227 14 C 4.5424 -0.8426 -0.1887 C.3 1 UNL1111 0.1220 15 C 3.9656 0.3853 -0.9336 C.3 1 UNL1111 0.0637 16 C 3.5222 1.5079 -0.0361 C.2 1 UNL1111 -0.0019 17 C -1.4707 0.2745 1.5520 C.2 1 UNL1111 0.5965 18 C -1.8082 0.6545 -0.8492 C.2 1 UNL1111 -0.0797 19 C 1.7907 -2.2248 -0.8418 C.2 1 UNL1111 -0.3485 20 C 4.2053 1.8643 1.0534 C.2 1 UNL1111 -0.3531 21 C -3.2563 0.7058 -0.6681 C.2 1 UNL1111 -0.1720 22 C -4.0715 -0.2832 -1.0376 C.2 1 UNL1111 -0.2124 23 C -5.5558 -0.2470 -0.7738 C.3 1 UNL1111 0.3461 24 C -5.9974 -1.5475 -0.0897 C.3 1 UNL1111 -0.5061 25 C -6.3283 0.0250 -2.0673 C.3 1 UNL1111 -0.4685 26 H 0.7854 0.2026 -1.0390 H 1 UNL1111 0.1584 27 H 1.6813 -0.0786 1.7915 H 1 UNL1111 0.1662 28 H 1.2633 1.9790 1.4148 H 1 UNL1111 0.1526 29 H 0.2576 2.6155 0.1209 H 1 UNL1111 0.1537 30 H -0.4506 -2.1203 0.8258 H 1 UNL1111 0.1367 31 H 0.4782 -2.1605 2.3738 H 1 UNL1111 0.1524 32 H 2.4719 3.3426 -0.3949 H 1 UNL1111 0.1556 33 H 2.1070 2.0861 -1.5654 H 1 UNL1111 0.1540 34 H 3.6031 -1.0479 1.7570 H 1 UNL1111 0.1535 35 H 3.8639 -2.5745 0.9018 H 1 UNL1111 0.1797 36 H 5.4823 -0.5818 0.3481 H 1 UNL1111 0.1208 37 H 3.1614 0.0533 -1.6375 H 1 UNL1111 0.1686 38 H -1.4533 0.7889 -1.8749 H 1 UNL1111 0.1639 39 H 0.8027 -2.2480 -1.2688 H 1 UNL1111 0.1458 40 H 2.4953 -2.8549 -1.3701 H 1 UNL1111 0.1689 41 H 5.0942 1.3691 1.4068 H 1 UNL1111 0.1467 42 H 3.9168 2.6884 1.6895 H 1 UNL1111 0.1580 43 H 5.2621 -1.4063 -1.9455 H 1 UNL1111 0.3336 44 H 5.6363 1.3842 -1.3673 H 1 UNL1111 0.3203 45 H -3.6229 1.6176 -0.1770 H 1 UNL1111 0.1895 46 H -3.7199 -1.1823 -1.5368 H 1 UNL1111 0.1519 47 H -5.9493 -2.4016 -0.7708 H 1 UNL1111 0.1518 48 H -5.3746 -1.7757 0.7829 H 1 UNL1111 0.1564 49 H -7.0330 -1.4577 0.2630 H 1 UNL1111 0.1663 50 H -6.1738 -0.7644 -2.8065 H 1 UNL1111 0.1466 51 H -6.0175 0.9812 -2.5087 H 1 UNL1111 0.1620 52 H -7.4040 0.1055 -1.8633 H 1 UNL1111 0.1638 53 H -5.3989 0.8069 0.9083 H 1 UNL1111 0.3262 @BOND 1 1 10 1 2 1 17 1 3 2 14 1 4 2 43 1 5 3 15 1 6 3 44 1 7 4 17 2 8 5 23 1 9 5 53 1 10 6 7 1 11 6 8 1 12 6 12 1 13 6 26 1 14 7 9 1 15 7 10 1 16 7 27 1 17 8 11 1 18 8 28 1 19 8 29 1 20 9 13 1 21 9 19 2 22 10 30 1 23 10 31 1 24 11 16 1 25 11 32 1 26 11 33 1 27 12 17 1 28 12 18 2 29 13 14 1 30 13 34 1 31 13 35 1 32 14 15 1 33 14 36 1 34 15 16 1 35 15 37 1 36 16 20 2 37 18 21 1 38 18 38 1 39 19 39 1 40 19 40 1 41 20 41 1 42 20 42 1 43 21 22 2 44 21 45 1 45 22 23 1 46 22 46 1 47 23 24 1 48 23 25 1 49 24 47 1 50 24 48 1 51 24 49 1 52 25 50 1 53 25 51 1 54 25 52 1