@MOLECULE (3z,5e,7r,8s,10r,13s,14s,15s,17s,20r,21s,22s)-22-[(2s,3z)-3,5-hexadien-2-yl]-8,10,14,20-tetrahydroxy-7,13,15,17,21-pentamethyloxacyclodocosa-3,5-dien-2-one 92 92 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 0.1654 1.4255 0.3298 C.3 1 UNL1 -0.0646 2 C -3.4062 1.3180 0.6016 C.3 1 UNL1 0.1604 3 C -3.2145 0.7817 -0.8343 C.3 1 UNL1 -0.2090 4 C -3.8603 -0.6002 -1.0516 C.3 1 UNL1 0.1147 5 C -5.3883 -0.6934 -0.8450 C.3 1 UNL1 -0.1329 6 C 3.1150 -3.3025 -0.3463 C.3 1 UNL1 -0.1434 7 C 3.9382 -2.1371 0.2649 C.3 1 UNL1 0.1819 8 C 6.0158 -0.6872 0.0674 C.3 1 UNL1 0.1772 9 C 4.6500 2.7241 -0.7270 C.3 1 UNL1 -0.1484 10 C 2.1788 3.1166 0.0386 C.3 1 UNL1 -0.1440 11 C 3.5979 2.5914 0.4005 C.3 1 UNL1 0.1400 12 C 0.8607 0.1081 -0.0212 C.3 1 UNL1 -0.4692 13 C -3.7043 1.7790 -1.8805 C.3 1 UNL1 -0.4304 14 C -5.9096 -1.9837 -1.4959 C.3 1 UNL1 -0.4412 15 C 2.8251 -3.0232 -1.8209 C.3 1 UNL1 -0.4494 16 C 5.1051 4.1859 -0.7984 C.3 1 UNL1 -0.4559 17 C 1.8232 3.0098 -1.4438 C.3 1 UNL1 -0.4471 18 H -5.2989 1.8971 0.4291 H 1 UNL1 0.3234 19 H 4.6165 -1.7721 2.0733 H 1 UNL1 0.3565 20 H 4.8719 0.3149 1.3504 H 1 UNL1 0.3647 21 H 3.0338 0.6912 0.2082 H 1 UNL1 0.3354 22 O -1.5599 -1.9335 -1.4011 O.2 1 UNL1 -0.5386 23 C 1.1157 2.4669 0.9576 C.3 1 UNL1 -0.2938 24 C -0.9814 1.1351 1.3280 C.3 1 UNL1 -0.2941 25 C -2.1736 2.0762 1.1264 C.3 1 UNL1 -0.3088 26 C 5.3786 -2.0556 -0.2602 C.3 1 UNL1 -0.4044 27 C 5.6090 0.3738 -0.9729 C.3 1 UNL1 -0.3370 28 C 5.8621 1.8061 -0.4749 C.3 1 UNL1 -0.2700 29 O -4.4322 2.2939 0.6488 O.3 1 UNL1 -0.5826 30 O 3.9764 -2.4023 1.6553 O.3 1 UNL1 -0.5969 31 O 5.6418 -0.3128 1.3747 O.3 1 UNL1 -0.6100 32 O 3.5277 1.2553 0.8464 O.3 1 UNL1 -0.6029 33 C -2.1215 -2.0915 -0.3429 C.2 1 UNL1 0.6333 34 C -5.7753 -0.7192 0.6024 C.2 1 UNL1 -0.1270 35 C -6.7759 -0.0036 1.1285 C.2 1 UNL1 -0.2126 36 C -7.6255 0.9113 0.3683 C.2 1 UNL1 -0.1321 37 O -3.3103 -1.4889 -0.0708 O.3 1 UNL1 -0.4564 38 C -1.7234 -2.8916 0.8156 C.2 1 UNL1 -0.3364 39 C -0.4967 -3.4109 0.9916 C.2 1 UNL1 0.0124 40 C 0.6218 -3.2721 0.0767 C.2 1 UNL1 -0.2619 41 C 1.8830 -3.4625 0.4920 C.2 1 UNL1 -0.0589 42 C -7.8181 2.1817 0.7284 C.2 1 UNL1 -0.3161 43 H 0.4888 3.2811 1.3761 H 1 UNL1 0.1369 44 H 1.6164 2.0081 1.8358 H 1 UNL1 0.1614 45 H -0.2738 1.8479 -0.6057 H 1 UNL1 0.1348 46 H -1.3078 0.0803 1.2304 H 1 UNL1 0.1482 47 H -0.6075 1.2061 2.3656 H 1 UNL1 0.1424 48 H 0.1691 -0.5855 -0.5233 H 1 UNL1 0.1685 49 H 1.6950 0.2595 -0.7162 H 1 UNL1 0.1244 50 H 1.2320 -0.4032 0.8771 H 1 UNL1 0.1570 51 H -1.9318 2.9096 0.4421 H 1 UNL1 0.1521 52 H -2.4499 2.5682 2.0801 H 1 UNL1 0.1538 53 H -3.6821 0.4940 1.2995 H 1 UNL1 0.1253 54 H -2.1103 0.6309 -0.9931 H 1 UNL1 0.1711 55 H -4.7875 1.9374 -1.8333 H 1 UNL1 0.1447 56 H -3.2455 2.7640 -1.7136 H 1 UNL1 0.1597 57 H -3.4518 1.4561 -2.8959 H 1 UNL1 0.1408 58 H -3.5944 -0.9750 -2.0704 H 1 UNL1 0.1487 59 H -5.8493 0.1851 -1.3638 H 1 UNL1 0.1515 60 H -6.9854 -2.1055 -1.3268 H 1 UNL1 0.1485 61 H -5.7411 -1.9860 -2.5778 H 1 UNL1 0.1452 62 H -5.4091 -2.8670 -1.0788 H 1 UNL1 0.1573 63 H -5.1858 -1.4007 1.2208 H 1 UNL1 0.1636 64 H -7.0133 -0.0711 2.1931 H 1 UNL1 0.1597 65 H -8.1026 0.4823 -0.5155 H 1 UNL1 0.1498 66 H -7.3634 2.6354 1.5977 H 1 UNL1 0.1546 67 H -8.4427 2.8691 0.1797 H 1 UNL1 0.1469 68 H -2.5093 -3.0308 1.5623 H 1 UNL1 0.1822 69 H -0.2887 -3.9840 1.9070 H 1 UNL1 0.1485 70 H 0.3775 -2.9967 -0.9534 H 1 UNL1 0.1899 71 H 2.1045 -3.7315 1.5330 H 1 UNL1 0.1645 72 H 3.7168 -4.2444 -0.2609 H 1 UNL1 0.1587 73 H 3.3952 -1.1762 0.1227 H 1 UNL1 0.1068 74 H 2.2815 -2.0804 -1.9603 H 1 UNL1 0.1525 75 H 3.7433 -2.9702 -2.4146 H 1 UNL1 0.1421 76 H 2.2068 -3.8181 -2.2582 H 1 UNL1 0.1547 77 H 5.9727 -2.8596 0.2195 H 1 UNL1 0.1667 78 H 5.4262 -2.2501 -1.3437 H 1 UNL1 0.1526 79 H 7.1237 -0.7733 0.1409 H 1 UNL1 0.1315 80 H 6.1658 0.1966 -1.9116 H 1 UNL1 0.1424 81 H 4.5446 0.2428 -1.2418 H 1 UNL1 0.1417 82 H 6.7557 2.2182 -0.9799 H 1 UNL1 0.1366 83 H 6.1203 1.8143 0.6042 H 1 UNL1 0.1647 84 H 4.1998 2.4387 -1.7056 H 1 UNL1 0.1425 85 H 5.7912 4.3473 -1.6376 H 1 UNL1 0.1464 86 H 4.2583 4.8671 -0.9374 H 1 UNL1 0.1463 87 H 5.6288 4.4915 0.1149 H 1 UNL1 0.1492 88 H 2.1946 4.2122 0.2864 H 1 UNL1 0.1332 89 H 3.9616 3.1007 1.3264 H 1 UNL1 0.1368 90 H 0.7931 3.3478 -1.6224 H 1 UNL1 0.1526 91 H 2.4673 3.6447 -2.0627 H 1 UNL1 0.1388 92 H 1.8996 1.9845 -1.8200 H 1 UNL1 0.1473 @BOND 1 57 13 1 2 61 14 1 3 75 15 1 4 76 15 1 5 58 4 1 6 91 17 1 7 74 15 1 8 80 27 1 9 13 55 1 10 13 56 1 11 13 3 1 12 15 6 1 13 92 17 1 14 84 9 1 15 85 16 1 16 90 17 1 17 14 60 1 18 14 62 1 19 14 5 1 20 17 10 1 21 22 33 2 22 59 5 1 23 78 26 1 24 81 27 1 25 4 5 1 26 4 3 1 27 4 37 1 28 54 3 1 29 82 28 1 30 27 28 1 31 27 8 1 32 70 40 1 33 86 16 1 34 5 34 1 35 3 2 1 36 16 9 1 37 16 87 1 38 9 28 1 39 9 11 1 40 49 12 1 41 45 1 1 42 48 12 1 43 65 36 1 44 28 83 1 45 6 72 1 46 6 7 1 47 6 41 1 48 33 37 1 49 33 38 1 50 26 8 1 51 26 77 1 52 26 7 1 53 12 1 1 54 12 50 1 55 10 88 1 56 10 11 1 57 10 23 1 58 8 79 1 59 8 31 1 60 40 41 2 61 40 39 1 62 73 7 1 63 67 42 1 64 21 32 1 65 7 30 1 66 1 23 1 67 1 24 1 68 36 42 2 69 36 35 1 70 11 32 1 71 11 89 1 72 18 29 1 73 51 25 1 74 41 71 1 75 2 29 1 76 2 25 1 77 2 53 1 78 34 35 2 79 34 63 1 80 42 66 1 81 38 39 2 82 38 68 1 83 23 43 1 84 23 44 1 85 39 69 1 86 25 24 1 87 25 52 1 88 35 64 1 89 46 24 1 90 24 47 1 91 20 31 1 92 30 19 1