@MOLECULE (1s,2s,5r,8r,10r,11s,14s,17s,18r,20r)-2,20-dihydroxy-5-methyl-13-methylene-7,9-dioxahexacyclo[8.7.2.1~11,14~.0~1,8~.0~5,18~.0~11,17~]icosan-12-one 51 56 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.3783 0.6994 -1.7925 O.3 1 UNL1111111111 -0.4514 2 O 2.4605 -0.2386 -1.6403 O.3 1 UNL1111111111 -0.4331 3 O 1.3830 -2.9262 0.1248 O.3 1 UNL1111111111 -0.5720 4 O -2.9226 0.7325 -2.0103 O.3 1 UNL1111111111 -0.5573 5 O -2.2056 2.0061 1.4549 O.2 1 UNL1111111111 -0.4457 6 C 0.9399 -0.5447 0.2319 C.3 1 UNL1111111111 -0.1267 7 C -0.5639 -0.6718 0.5929 C.3 1 UNL1111111111 -0.1022 8 C -1.3379 0.4267 -0.1843 C.3 1 UNL1111111111 -0.2056 9 C 1.4671 0.7923 0.8252 C.3 1 UNL1111111111 -0.1140 10 C -0.3431 1.4081 -0.7981 C.3 1 UNL1111111111 0.1409 11 C 2.9642 0.9376 0.4640 C.3 1 UNL1111111111 0.0228 12 C 0.6099 1.9478 0.2715 C.3 1 UNL1111111111 -0.3427 13 C 1.1152 -0.4032 -1.2949 C.3 1 UNL1111111111 0.3260 14 C 1.7463 -1.7347 0.7953 C.3 1 UNL1111111111 0.1621 15 C -2.2574 -0.2437 -1.2438 C.3 1 UNL1111111111 0.1609 16 C -1.1533 -2.0683 0.3230 C.3 1 UNL1111111111 -0.2797 17 C -3.3361 -0.8838 -0.3285 C.3 1 UNL1111111111 -0.1396 18 C 3.7400 -0.2019 1.1549 C.3 1 UNL1111111111 -0.2828 19 C 3.2687 -1.5744 0.6869 C.3 1 UNL1111111111 -0.3314 20 C -2.3686 1.0381 0.7657 C.2 1 UNL1111111111 0.4774 21 C -2.6928 -2.1041 0.3608 C.3 1 UNL1111111111 -0.2752 22 C 3.1185 0.8780 -1.0691 C.3 1 UNL1111111111 -0.0379 23 C -3.5976 0.1972 0.6892 C.2 1 UNL1111111111 -0.1075 24 C 3.5358 2.2692 0.9686 C.3 1 UNL1111111111 -0.4671 25 C -4.7051 0.4099 1.3917 C.2 1 UNL1111111111 -0.2507 26 H -0.6622 -0.4715 1.6902 H 1 UNL1111111111 0.1484 27 H 1.3704 0.7670 1.9345 H 1 UNL1111111111 0.1430 28 H -0.8331 2.2186 -1.3793 H 1 UNL1111111111 0.1498 29 H 0.0316 2.4302 1.0860 H 1 UNL1111111111 0.1778 30 H 1.2340 2.7499 -0.1604 H 1 UNL1111111111 0.1564 31 H 0.8079 -1.2740 -1.9094 H 1 UNL1111111111 0.1377 32 H 1.4356 -1.9463 1.8452 H 1 UNL1111111111 0.1414 33 H -1.7402 -0.9449 -1.9193 H 1 UNL1111111111 0.1357 34 H -0.7542 -2.7890 1.0665 H 1 UNL1111111111 0.1617 35 H -0.7934 -2.4545 -0.6502 H 1 UNL1111111111 0.1527 36 H -4.2441 -1.1574 -0.8981 H 1 UNL1111111111 0.1622 37 H 3.6283 -0.1141 2.2529 H 1 UNL1111111111 0.1407 38 H 4.8238 -0.0943 0.9570 H 1 UNL1111111111 0.1420 39 H 3.5882 -1.7419 -0.3636 H 1 UNL1111111111 0.1649 40 H 3.7615 -2.3735 1.2737 H 1 UNL1111111111 0.1482 41 H -3.0423 -3.0347 -0.1237 H 1 UNL1111111111 0.1418 42 H -3.0427 -2.1668 1.4085 H 1 UNL1111111111 0.1455 43 H 2.7243 1.7889 -1.5550 H 1 UNL1111111111 0.1362 44 H 4.1652 0.7146 -1.3798 H 1 UNL1111111111 0.1362 45 H 4.6131 2.3381 0.7806 H 1 UNL1111111111 0.1479 46 H 3.0685 3.1335 0.4831 H 1 UNL1111111111 0.1516 47 H 3.3815 2.3849 2.0478 H 1 UNL1111111111 0.1530 48 H 1.7762 -2.9579 -0.7701 H 1 UNL1111111111 0.3206 49 H -2.3010 1.1318 -2.6552 H 1 UNL1111111111 0.3259 50 H -5.5923 -0.2005 1.3137 H 1 UNL1111111111 0.1492 51 H -4.8023 1.2259 2.0983 H 1 UNL1111111111 0.1620 @BOND 1 1 10 1 2 1 13 1 3 2 13 1 4 2 22 1 5 3 14 1 6 3 48 1 7 4 15 1 8 4 49 1 9 5 20 2 10 6 7 1 11 6 9 1 12 6 13 1 13 6 14 1 14 7 8 1 15 7 16 1 16 7 26 1 17 8 10 1 18 8 15 1 19 8 20 1 20 9 11 1 21 9 12 1 22 9 27 1 23 10 12 1 24 10 28 1 25 11 18 1 26 11 22 1 27 11 24 1 28 12 29 1 29 12 30 1 30 13 31 1 31 14 19 1 32 14 32 1 33 15 17 1 34 15 33 1 35 16 21 1 36 16 34 1 37 16 35 1 38 17 21 1 39 17 23 1 40 17 36 1 41 18 19 1 42 18 37 1 43 18 38 1 44 19 39 1 45 19 40 1 46 20 23 1 47 21 41 1 48 21 42 1 49 22 43 1 50 22 44 1 51 23 25 2 52 24 45 1 53 24 46 1 54 24 47 1 55 25 50 1 56 25 51 1