@MOLECULE (4ar,5s,6r,8s,8ar)-8-hydroxy-5-[(3e)-5-hydroxy-3-methyl-3-penten-1-yl]-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-1-naphthalenecarboxylic acid 56 57 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.4762 -1.6150 -0.6283 O.3 1 UNL1111111111 -0.5580 2 O 3.9370 0.6793 -2.0269 O.3 1 UNL1111111111 -0.5729 3 O 5.1755 0.9075 -0.1878 O.2 1 UNL1111111111 -0.4956 4 O -6.6886 0.2327 0.3083 O.3 1 UNL1111111111 -0.5516 5 C -0.4841 -0.8616 0.7608 C.3 1 UNL1111111111 0.0692 6 C 0.4963 0.3042 0.4612 C.3 1 UNL1111111111 -0.1474 7 C 1.9981 -0.0889 0.3881 C.3 1 UNL1111111111 0.0613 8 C -0.2456 -1.9780 -0.2997 C.3 1 UNL1111111111 -0.0993 9 C 2.1208 -1.1988 -0.6859 C.3 1 UNL1111111111 0.1282 10 C 1.2291 -2.4008 -0.3678 C.3 1 UNL1111111111 -0.3374 11 C 0.3520 1.5051 1.4086 C.3 1 UNL1111111111 -0.2717 12 C -1.9479 -0.3461 0.6467 C.3 1 UNL1111111111 -0.2928 13 C 2.7667 1.1334 -0.0552 C.2 1 UNL1111111111 -0.1374 14 C -0.3389 -1.4052 2.1888 C.3 1 UNL1111111111 -0.4599 15 C 2.6423 -0.5422 1.7027 C.3 1 UNL1111111111 -0.4439 16 C 1.0593 2.7298 0.8050 C.3 1 UNL1111111111 -0.2761 17 C -1.1053 -3.2230 -0.0541 C.3 1 UNL1111111111 -0.4496 18 C 2.3587 2.3899 0.1538 C.2 1 UNL1111111111 -0.1009 19 C -2.3073 0.3050 -0.6971 C.3 1 UNL1111111111 -0.3040 20 C 4.0807 0.8843 -0.6826 C.2 1 UNL1111111111 0.6660 21 C -3.7451 0.7412 -0.6685 C.2 1 UNL1111111111 0.0727 22 C -3.9694 2.1359 -0.1920 C.3 1 UNL1111111111 -0.4687 23 C -4.7188 -0.0966 -1.0484 C.2 1 UNL1111111111 -0.3014 24 C -6.1737 0.2370 -1.0149 C.3 1 UNL1111111111 0.0090 25 H 0.2319 0.6660 -0.5717 H 1 UNL1111111111 0.1440 26 H -0.5264 -1.5564 -1.2984 H 1 UNL1111111111 0.1313 27 H 1.9082 -0.7883 -1.6984 H 1 UNL1111111111 0.1257 28 H 1.5529 -2.8686 0.5810 H 1 UNL1111111111 0.1615 29 H 1.3679 -3.1842 -1.1352 H 1 UNL1111111111 0.1438 30 H 0.7808 1.2673 2.4001 H 1 UNL1111111111 0.1481 31 H -0.7113 1.7412 1.5905 H 1 UNL1111111111 0.1367 32 H -2.1422 0.3719 1.4665 H 1 UNL1111111111 0.1394 33 H -2.6417 -1.1899 0.8341 H 1 UNL1111111111 0.1480 34 H -0.2768 -0.5970 2.9240 H 1 UNL1111111111 0.1445 35 H -1.1883 -2.0384 2.4686 H 1 UNL1111111111 0.1447 36 H 0.5625 -2.0190 2.2998 H 1 UNL1111111111 0.1547 37 H 2.4823 0.1808 2.5076 H 1 UNL1111111111 0.1453 38 H 2.2699 -1.5162 2.0334 H 1 UNL1111111111 0.1508 39 H 3.7322 -0.6583 1.5748 H 1 UNL1111111111 0.1762 40 H 1.2202 3.4932 1.5949 H 1 UNL1111111111 0.1508 41 H 0.3967 3.2138 0.0551 H 1 UNL1111111111 0.1504 42 H -0.8441 -3.7180 0.8874 H 1 UNL1111111111 0.1479 43 H -2.1723 -2.9782 -0.0140 H 1 UNL1111111111 0.1453 44 H -0.9723 -3.9569 -0.8569 H 1 UNL1111111111 0.1419 45 H 2.9569 3.2487 -0.1550 H 1 UNL1111111111 0.1512 46 H -2.1307 -0.4083 -1.5278 H 1 UNL1111111111 0.1528 47 H -1.6419 1.1671 -0.9026 H 1 UNL1111111111 0.1518 48 H 3.7651 -1.9660 -1.4907 H 1 UNL1111111111 0.3149 49 H -5.0278 2.3735 -0.0182 H 1 UNL1111111111 0.1603 50 H -3.4357 2.3322 0.7492 H 1 UNL1111111111 0.1585 51 H -3.5991 2.8640 -0.9303 H 1 UNL1111111111 0.1626 52 H 4.7964 0.5213 -2.4853 H 1 UNL1111111111 0.3466 53 H -4.4902 -1.1038 -1.3908 H 1 UNL1111111111 0.1578 54 H -6.8015 -0.5180 -1.5283 H 1 UNL1111111111 0.1388 55 H -6.3960 1.2336 -1.4446 H 1 UNL1111111111 0.1219 56 H -5.9930 0.4684 0.9516 H 1 UNL1111111111 0.3141 @BOND 1 1 9 1 2 1 48 1 3 2 20 1 4 2 52 1 5 3 20 2 6 4 24 1 7 4 56 1 8 5 6 1 9 5 8 1 10 5 12 1 11 5 14 1 12 6 7 1 13 6 11 1 14 6 25 1 15 7 9 1 16 7 13 1 17 7 15 1 18 8 10 1 19 8 17 1 20 8 26 1 21 9 10 1 22 9 27 1 23 10 28 1 24 10 29 1 25 11 16 1 26 11 30 1 27 11 31 1 28 12 19 1 29 12 32 1 30 12 33 1 31 13 18 2 32 13 20 1 33 14 34 1 34 14 35 1 35 14 36 1 36 15 37 1 37 15 38 1 38 15 39 1 39 16 18 1 40 16 40 1 41 16 41 1 42 17 42 1 43 17 43 1 44 17 44 1 45 18 45 1 46 19 21 1 47 19 46 1 48 19 47 1 49 21 22 1 50 21 23 2 51 22 49 1 52 22 50 1 53 22 51 1 54 23 24 1 55 23 53 1 56 24 54 1 57 24 55 1