@MOLECULE (1r,4s,5r,8s,11r,13r,14s,17r,18s,20r,21r,24r)-20,21-dihydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo[19.2.1.0~1,18~.0~4,17~.0~5,14~.0~8,13~]tetracosane-11-carboxylic acid 83 88 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 5.4223 -0.6998 -0.1062 C.3 1 UNL1 0.4218 2 C -0.8481 1.4714 0.1391 C.3 1 UNL1 0.0657 3 C -1.7073 0.1861 0.4061 C.3 1 UNL1 0.0622 4 C 3.5385 0.6591 -0.3778 C.3 1 UNL1 0.0077 5 C 1.3055 0.1575 0.9040 C.3 1 UNL1 0.0817 6 C 2.5864 -0.4220 0.2099 C.3 1 UNL1 -0.1456 7 C 0.6183 1.0521 -0.1697 C.3 1 UNL1 -0.1442 8 C -3.1524 0.6295 0.7923 C.3 1 UNL1 -0.1465 9 C 4.5775 -0.1168 -1.2578 C.3 1 UNL1 -0.1935 10 C -5.0227 -1.1549 0.1278 C.3 1 UNL1 0.0262 11 C 4.6906 -1.8812 0.5719 C.3 1 UNL1 0.1041 12 C -3.8450 1.6015 -0.2004 C.3 1 UNL1 0.0953 13 C -1.7094 -0.7565 -0.8075 C.3 1 UNL1 -0.4799 14 C -0.8812 2.4702 1.3080 C.3 1 UNL1 -0.4677 15 C 1.6508 0.8894 2.2067 C.3 1 UNL1 -0.4625 16 C 5.4096 0.7431 -2.1950 C.3 1 UNL1 -0.4457 17 C -6.1822 -1.8784 0.8488 C.3 1 UNL1 -0.4644 18 C -4.9033 2.4104 0.5945 C.3 1 UNL1 -0.4730 19 H 7.3356 -0.3966 -0.4587 H 1 UNL1 0.3454 20 H 5.2103 -3.1370 -0.8613 H 1 UNL1 0.3265 21 O -3.7424 -3.2223 -0.0997 O.2 1 UNL1 -0.5362 22 C -4.0903 -0.5359 1.1891 C.3 1 UNL1 -0.2937 23 C -1.0599 -0.5794 1.5854 C.3 1 UNL1 -0.2953 24 C 0.3705 -1.0237 1.2573 C.3 1 UNL1 -0.2873 25 C 2.8006 1.7171 -1.1927 C.3 1 UNL1 -0.2883 26 C -1.4651 2.1575 -1.1024 C.3 1 UNL1 -0.2965 27 C 1.5411 2.2372 -0.4942 C.3 1 UNL1 -0.2815 28 C -2.8867 2.6478 -0.8246 C.3 1 UNL1 -0.2970 29 C -5.6110 -0.1194 -0.8340 C.3 1 UNL1 -0.2719 30 C -4.5538 0.8553 -1.3457 C.3 1 UNL1 -0.2908 31 O 6.6894 -1.1363 -0.4746 O.3 1 UNL1 -0.5750 32 O -4.3324 -2.1473 -1.9466 O.3 1 UNL1 -0.5626 33 O 4.3885 -2.8624 -0.4008 O.3 1 UNL1 -0.5572 34 C -4.2870 -2.2662 -0.5929 C.2 1 UNL1 0.6348 35 H -3.8750 -2.8857 -2.4179 H 1 UNL1 0.3492 36 C 3.3446 -1.4025 1.1319 C.3 1 UNL1 -0.3056 37 C 4.4771 1.2623 0.6958 C.3 1 UNL1 -0.0427 38 O 5.5689 0.3474 0.8509 O.3 1 UNL1 -0.4726 39 H -3.0143 1.2154 1.7454 H 1 UNL1 0.1386 40 H 0.5564 0.4273 -1.1041 H 1 UNL1 0.1421 41 H 2.2216 -1.0234 -0.6662 H 1 UNL1 0.1510 42 H 4.0859 -0.9280 -1.8389 H 1 UNL1 0.1712 43 H 5.3247 -2.3475 1.3563 H 1 UNL1 0.1366 44 H 3.5278 -0.9404 2.1217 H 1 UNL1 0.1538 45 H 2.7111 -2.2961 1.3122 H 1 UNL1 0.1636 46 H -3.4878 -1.3510 1.6452 H 1 UNL1 0.1611 47 H -4.7332 -0.1616 2.0149 H 1 UNL1 0.1432 48 H 4.9186 2.2227 0.3903 H 1 UNL1 0.1241 49 H 4.0350 1.3556 1.6959 H 1 UNL1 0.1407 50 H -1.0719 0.0417 2.4972 H 1 UNL1 0.1331 51 H -1.6624 -1.4770 1.8300 H 1 UNL1 0.1411 52 H 0.3492 -1.7520 0.4238 H 1 UNL1 0.1465 53 H 0.7817 -1.5780 2.1224 H 1 UNL1 0.1363 54 H 3.4760 2.5635 -1.4228 H 1 UNL1 0.1397 55 H 2.5196 1.2886 -2.1771 H 1 UNL1 0.1461 56 H -0.8436 3.0197 -1.4104 H 1 UNL1 0.1322 57 H -1.4598 1.4688 -1.9661 H 1 UNL1 0.1423 58 H 1.0301 2.9671 -1.1490 H 1 UNL1 0.1356 59 H 1.8080 2.7980 0.4190 H 1 UNL1 0.1404 60 H -3.3284 3.0291 -1.7655 H 1 UNL1 0.1334 61 H -2.8305 3.5363 -0.1642 H 1 UNL1 0.1379 62 H -6.0974 -0.6259 -1.6929 H 1 UNL1 0.1521 63 H -6.4230 0.4393 -0.3275 H 1 UNL1 0.1426 64 H -5.0278 1.5813 -2.0331 H 1 UNL1 0.1343 65 H -3.8064 0.3124 -1.9627 H 1 UNL1 0.1566 66 H -1.8876 -1.7940 -0.4999 H 1 UNL1 0.1588 67 H -2.4828 -0.4882 -1.5373 H 1 UNL1 0.1557 68 H -0.7524 -0.7549 -1.3410 H 1 UNL1 0.1484 69 H -0.2140 3.3167 1.1183 H 1 UNL1 0.1433 70 H -1.8800 2.8861 1.4749 H 1 UNL1 0.1437 71 H -0.5736 2.0098 2.2513 H 1 UNL1 0.1488 72 H 2.0829 1.8784 2.0259 H 1 UNL1 0.1435 73 H 0.7623 1.0380 2.8324 H 1 UNL1 0.1477 74 H 2.3606 0.3191 2.8169 H 1 UNL1 0.1445 75 H 5.8919 1.5765 -1.6715 H 1 UNL1 0.1474 76 H 6.2035 0.1451 -2.6645 H 1 UNL1 0.1546 77 H 4.8024 1.1637 -3.0045 H 1 UNL1 0.1460 78 H -6.7729 -1.1785 1.4495 H 1 UNL1 0.1531 79 H -6.8650 -2.3555 0.1366 H 1 UNL1 0.1533 80 H -5.8088 -2.6614 1.5230 H 1 UNL1 0.1655 81 H -4.4378 3.0398 1.3586 H 1 UNL1 0.1386 82 H -5.4778 3.0628 -0.0694 H 1 UNL1 0.1417 83 H -5.6123 1.7521 1.1050 H 1 UNL1 0.1461 @BOND 1 77 16 1 2 76 16 1 3 35 32 1 4 16 75 1 5 16 9 1 6 55 25 1 7 64 30 1 8 57 26 1 9 65 30 1 10 32 34 1 11 42 9 1 12 60 28 1 13 62 29 1 14 67 13 1 15 54 25 1 16 56 26 1 17 30 29 1 18 30 12 1 19 68 13 1 20 9 4 1 21 9 1 1 22 25 27 1 23 25 4 1 24 58 27 1 25 40 7 1 26 26 28 1 27 26 2 1 28 20 33 1 29 29 63 1 30 29 10 1 31 28 12 1 32 28 61 1 33 13 66 1 34 13 3 1 35 41 6 1 36 34 21 2 37 34 10 1 38 27 7 1 39 27 59 1 40 31 19 1 41 31 1 1 42 33 11 1 43 4 6 1 44 4 37 1 45 12 18 1 46 12 8 1 47 7 2 1 48 7 5 1 49 1 11 1 50 1 38 1 51 82 18 1 52 10 17 1 53 10 22 1 54 79 17 1 55 2 3 1 56 2 14 1 57 6 5 1 58 6 36 1 59 48 37 1 60 3 8 1 61 3 23 1 62 52 24 1 63 11 36 1 64 11 43 1 65 18 83 1 66 18 81 1 67 37 38 1 68 37 49 1 69 8 22 1 70 8 39 1 71 17 78 1 72 17 80 1 73 5 24 1 74 5 15 1 75 69 14 1 76 36 45 1 77 36 44 1 78 22 46 1 79 22 47 1 80 24 23 1 81 24 53 1 82 14 70 1 83 14 71 1 84 23 51 1 85 23 50 1 86 72 15 1 87 15 74 1 88 15 73 1