@MOLECULE (4s,8r,9r,12s,13s,14s,16r,18r)-9,14,18-trihydroxy-7,7-dimethyl-17-methylene-3,10-dioxapentacyclo[14.2.1.0~1,13~.0~4,12~.0~8,12~]nonadecan-2-one 54 58 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.2415 -2.3306 -0.7306 O.3 1 UNL1111111111 -0.3953 2 O 2.9040 -0.1852 -1.7751 O.3 1 UNL1111111111 -0.4221 3 O 0.2282 2.7656 -0.6399 O.3 1 UNL1111111111 -0.5929 4 O -2.7311 -1.6202 1.2907 O.3 1 UNL1111111111 -0.5337 5 O 3.1412 2.0362 -1.2258 O.3 1 UNL1111111111 -0.5888 6 O -2.2195 -2.4501 -1.6724 O.2 1 UNL1111111111 -0.4552 7 C 0.8524 -0.1842 -0.5267 C.3 1 UNL1111111111 -0.0502 8 C -0.4933 0.5419 -0.7912 C.3 1 UNL1111111111 -0.1763 9 C -1.7146 -0.3746 -0.5554 C.3 1 UNL1111111111 -0.1438 10 C 1.9443 0.5655 0.2812 C.3 1 UNL1111111111 -0.2368 11 C 0.5803 -1.5444 0.1386 C.3 1 UNL1111111111 0.1025 12 C 2.4061 -0.1178 1.5917 C.3 1 UNL1111111111 0.1117 13 C -0.7369 1.8877 -0.0726 C.3 1 UNL1111111111 0.1679 14 C -2.9121 0.2750 -1.2856 C.3 1 UNL1111111111 -0.2738 15 C -3.2512 1.4264 -0.3104 C.3 1 UNL1111111111 -0.1062 16 C 1.5198 -0.4238 -1.9223 C.3 1 UNL1111111111 -0.0524 17 C -2.1911 -0.3794 0.9399 C.3 1 UNL1111111111 0.1395 18 C -2.1337 2.4810 -0.3763 C.3 1 UNL1111111111 -0.3380 19 C 1.8605 -2.3385 0.3609 C.3 1 UNL1111111111 -0.2924 20 C 3.1135 0.7317 -0.7301 C.3 1 UNL1111111111 0.3610 21 C 2.7321 -1.6177 1.4001 C.3 1 UNL1111111111 -0.2893 22 C -1.4507 -1.7834 -1.0313 C.2 1 UNL1111111111 0.5929 23 C -3.2083 0.7391 1.0284 C.2 1 UNL1111111111 -0.0614 24 C 1.3318 0.0715 2.6837 C.3 1 UNL1111111111 -0.4685 25 C 3.6706 0.5923 2.1235 C.3 1 UNL1111111111 -0.4762 26 C -3.9345 1.0198 2.1029 C.2 1 UNL1111111111 -0.3080 27 H -0.5009 0.8153 -1.8896 H 1 UNL1111111111 0.1787 28 H 1.5978 1.5890 0.5590 H 1 UNL1111111111 0.1757 29 H 0.0278 -1.4505 1.1032 H 1 UNL1111111111 0.1429 30 H -0.5492 1.8202 1.0187 H 1 UNL1111111111 0.1196 31 H -3.7529 -0.4311 -1.4010 H 1 UNL1111111111 0.1623 32 H -2.6715 0.6220 -2.3000 H 1 UNL1111111111 0.1566 33 H -4.2342 1.8855 -0.5312 H 1 UNL1111111111 0.1479 34 H 1.4405 -1.4647 -2.2801 H 1 UNL1111111111 0.1588 35 H 1.1478 0.2594 -2.7037 H 1 UNL1111111111 0.1269 36 H -1.3616 -0.2579 1.6702 H 1 UNL1111111111 0.1529 37 H -2.1179 2.9400 -1.3856 H 1 UNL1111111111 0.1638 38 H -2.3501 3.3025 0.3289 H 1 UNL1111111111 0.1433 39 H 2.4171 -2.4625 -0.5907 H 1 UNL1111111111 0.1683 40 H 1.6175 -3.3663 0.6924 H 1 UNL1111111111 0.1558 41 H 4.1495 0.5469 -0.3931 H 1 UNL1111111111 0.1500 42 H 2.6517 -2.1311 2.3765 H 1 UNL1111111111 0.1410 43 H 3.7933 -1.7281 1.1005 H 1 UNL1111111111 0.1461 44 H 0.4056 -0.4684 2.4668 H 1 UNL1111111111 0.1441 45 H 1.6866 -0.3005 3.6523 H 1 UNL1111111111 0.1503 46 H 1.0814 1.1287 2.8166 H 1 UNL1111111111 0.1420 47 H 3.9251 0.2435 3.1301 H 1 UNL1111111111 0.1482 48 H 4.5513 0.4133 1.4979 H 1 UNL1111111111 0.1488 49 H 3.5262 1.6771 2.1774 H 1 UNL1111111111 0.1523 50 H 0.1514 3.6647 -0.2694 H 1 UNL1111111111 0.3271 51 H -3.5090 -1.8490 0.7333 H 1 UNL1111111111 0.3322 52 H -3.8566 0.4676 3.0299 H 1 UNL1111111111 0.1608 53 H -4.6671 1.8104 2.1445 H 1 UNL1111111111 0.1483 54 H 2.2480 2.3594 -1.4709 H 1 UNL1111111111 0.3413 @BOND 1 1 11 1 2 1 22 1 3 2 16 1 4 2 20 1 5 3 13 1 6 3 50 1 7 4 17 1 8 4 51 1 9 5 20 1 10 5 54 1 11 6 22 2 12 7 8 1 13 7 10 1 14 7 11 1 15 7 16 1 16 8 9 1 17 8 13 1 18 8 27 1 19 9 14 1 20 9 17 1 21 9 22 1 22 10 12 1 23 10 20 1 24 10 28 1 25 11 19 1 26 11 29 1 27 12 21 1 28 12 24 1 29 12 25 1 30 13 18 1 31 13 30 1 32 14 15 1 33 14 31 1 34 14 32 1 35 15 18 1 36 15 23 1 37 15 33 1 38 16 34 1 39 16 35 1 40 17 23 1 41 17 36 1 42 18 37 1 43 18 38 1 44 19 21 1 45 19 39 1 46 19 40 1 47 20 41 1 48 21 42 1 49 21 43 1 50 23 26 2 51 24 44 1 52 24 45 1 53 24 46 1 54 25 47 1 55 25 48 1 56 25 49 1 57 26 52 1 58 26 53 1