@MOLECULE (3z,5e,7r,8s,10s,11z,13s,14r,15s,20r,21s,22s)-22-[(2s,3z)-3,5-hexadien-2-yl]-8,10,14,20-tetrahydroxy-7,13,15,21-tetramethyloxacyclodocosa-3,5,11-trien-2-one 87 87 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 3.7868 -1.0354 0.8192 C.3 1 UNL1 0.1111 2 C 3.5910 0.4613 1.1347 C.3 1 UNL1 -0.2097 3 C 5.2182 -1.4701 0.4202 C.3 1 UNL1 -0.1280 4 C 3.9125 1.3797 -0.0680 C.3 1 UNL1 0.1614 5 C -3.1962 2.6690 -0.5311 C.3 1 UNL1 0.1332 6 C -1.7710 2.7370 0.0623 C.3 1 UNL1 -0.1034 7 C -4.3092 2.4095 0.5170 C.3 1 UNL1 -0.1673 8 C -4.8791 -2.3603 -0.3734 C.3 1 UNL1 0.1754 9 C -3.4842 -2.9526 -0.6859 C.3 1 UNL1 -0.1398 10 C -5.9753 -0.1408 0.2148 C.3 1 UNL1 0.1695 11 C 4.3890 0.8593 2.3733 C.3 1 UNL1 -0.4334 12 C 5.3370 -2.9967 0.5461 C.3 1 UNL1 -0.4426 13 C -1.4324 1.4702 0.8478 C.3 1 UNL1 -0.4463 14 C -4.3706 3.5441 1.5424 C.3 1 UNL1 -0.4434 15 C -3.5672 -4.4833 -0.7259 C.3 1 UNL1 -0.4396 16 H 5.8947 1.2766 0.0037 H 1 UNL1 0.3245 17 H -4.0188 1.4740 -1.8893 H 1 UNL1 0.3127 18 H -6.0422 -2.4096 1.2120 H 1 UNL1 0.3369 19 H -7.8938 -0.5612 0.5769 H 1 UNL1 0.3217 20 O 1.1644 -1.8582 -1.3243 O.2 1 UNL1 -0.4631 21 C 2.9705 2.5935 -0.1304 C.3 1 UNL1 -0.3109 22 C 1.6211 2.2046 -0.7380 C.3 1 UNL1 -0.2681 23 C 0.6187 3.3593 -0.6149 C.3 1 UNL1 -0.2677 24 C -0.7790 2.9460 -1.0992 C.3 1 UNL1 -0.2787 25 C -4.9122 -0.8436 -0.6379 C.3 1 UNL1 -0.3726 26 O 5.1964 1.9596 0.0695 O.3 1 UNL1 -0.5813 27 O -3.1555 1.5870 -1.4453 O.3 1 UNL1 -0.5600 28 O -5.1120 -2.6369 0.9954 O.3 1 UNL1 -0.5816 29 O -7.1138 -1.0014 0.1927 O.3 1 UNL1 -0.5883 30 C 1.6519 -1.5983 -0.2499 C.2 1 UNL1 0.6189 31 C 5.5639 -1.1000 -0.9901 C.2 1 UNL1 -0.1256 32 C 6.7486 -0.6023 -1.3613 C.2 1 UNL1 -0.2169 33 C 7.8560 -0.3461 -0.4409 C.2 1 UNL1 -0.1279 34 O 2.9973 -1.3617 -0.3171 O.3 1 UNL1 -0.4496 35 C 0.9520 -1.5275 1.0331 C.2 1 UNL1 -0.3857 36 C -0.3732 -1.7162 1.1721 C.2 1 UNL1 0.0271 37 C -1.3083 -2.0275 0.1089 C.2 1 UNL1 -0.2627 38 C -5.6204 2.3151 -0.2023 C.2 1 UNL1 -0.1517 39 C -2.5106 -2.5575 0.3795 C.2 1 UNL1 -0.0542 40 C -6.3399 1.1999 -0.3461 C.2 1 UNL1 -0.2517 41 C 8.4018 0.8608 -0.2833 C.2 1 UNL1 -0.3232 42 H 3.4601 -1.6484 1.6919 H 1 UNL1 0.1229 43 H 2.5009 0.6013 1.3664 H 1 UNL1 0.1542 44 H 5.9266 -0.9905 1.1421 H 1 UNL1 0.1497 45 H 3.8871 0.8075 -1.0243 H 1 UNL1 0.1358 46 H 4.7739 -1.2953 -1.7224 H 1 UNL1 0.1761 47 H 5.4669 0.7086 2.2405 H 1 UNL1 0.1487 48 H 4.2628 1.9314 2.5832 H 1 UNL1 0.1613 49 H 4.0750 0.3012 3.2601 H 1 UNL1 0.1350 50 H 2.8474 3.0318 0.8755 H 1 UNL1 0.1431 51 H 3.4541 3.3881 -0.7347 H 1 UNL1 0.1601 52 H 4.6058 -3.5014 -0.1009 H 1 UNL1 0.1641 53 H 6.3328 -3.3408 0.2431 H 1 UNL1 0.1494 54 H 5.1672 -3.3348 1.5725 H 1 UNL1 0.1402 55 H 1.5588 -1.3213 1.9135 H 1 UNL1 0.1685 56 H 6.9560 -0.3581 -2.4060 H 1 UNL1 0.1634 57 H 1.7476 1.9239 -1.8020 H 1 UNL1 0.1466 58 H 1.2164 1.2992 -0.2456 H 1 UNL1 0.1406 59 H -0.8150 -1.6459 2.1775 H 1 UNL1 0.1433 60 H -3.4209 3.5948 -1.1075 H 1 UNL1 0.1098 61 H -1.7248 3.6187 0.7441 H 1 UNL1 0.1288 62 H -4.0737 1.4528 1.0464 H 1 UNL1 0.1614 63 H 0.5768 3.7130 0.4315 H 1 UNL1 0.1333 64 H 0.9792 4.2240 -1.2030 H 1 UNL1 0.1326 65 H -0.7299 2.0177 -1.7054 H 1 UNL1 0.1678 66 H -1.1729 3.7131 -1.7908 H 1 UNL1 0.1291 67 H 8.2157 -1.2197 0.1075 H 1 UNL1 0.1487 68 H -5.6720 -2.8723 -0.9643 H 1 UNL1 0.1247 69 H -3.1581 -2.5780 -1.6883 H 1 UNL1 0.1542 70 H -0.9800 -1.8358 -0.9187 H 1 UNL1 0.1968 71 H -5.6533 -0.0763 1.2834 H 1 UNL1 0.1318 72 H -5.9658 3.2595 -0.6287 H 1 UNL1 0.1482 73 H -3.9207 -0.3892 -0.4170 H 1 UNL1 0.1832 74 H -5.0981 -0.6696 -1.7136 H 1 UNL1 0.1549 75 H -2.8493 -2.7573 1.3998 H 1 UNL1 0.1620 76 H -7.2763 1.2013 -0.9080 H 1 UNL1 0.1619 77 H -1.5953 0.5755 0.2273 H 1 UNL1 0.1693 78 H -0.3816 1.4671 1.1595 H 1 UNL1 0.1482 79 H -2.0436 1.3707 1.7486 H 1 UNL1 0.1313 80 H -4.4624 4.5252 1.0640 H 1 UNL1 0.1462 81 H -5.2301 3.4239 2.2131 H 1 UNL1 0.1500 82 H -3.4715 3.5635 2.1701 H 1 UNL1 0.1509 83 H -4.2013 -4.8291 -1.5487 H 1 UNL1 0.1438 84 H -2.5758 -4.9318 -0.8576 H 1 UNL1 0.1504 85 H -3.9919 -4.8774 0.2072 H 1 UNL1 0.1590 86 H 8.0726 1.7432 -0.8137 H 1 UNL1 0.1551 87 H 9.2200 1.0621 0.3898 H 1 UNL1 0.1461 @BOND 1 56 32 1 2 17 27 1 3 57 22 1 4 66 24 1 5 46 31 1 6 74 25 1 7 65 24 1 8 69 9 1 9 83 15 1 10 27 5 1 11 32 31 2 12 32 33 1 13 20 30 2 14 64 23 1 15 60 5 1 16 24 23 1 17 24 6 1 18 45 4 1 19 31 3 1 20 68 8 1 21 70 37 1 22 76 40 1 23 84 15 1 24 86 41 1 25 22 23 1 26 22 58 1 27 22 21 1 28 51 21 1 29 15 9 1 30 15 85 1 31 9 8 1 32 9 39 1 33 25 73 1 34 25 8 1 35 25 10 1 36 72 38 1 37 23 63 1 38 5 6 1 39 5 7 1 40 33 41 2 41 33 67 1 42 8 28 1 43 40 38 2 44 40 10 1 45 34 30 1 46 34 1 1 47 41 87 1 48 30 35 1 49 38 7 1 50 21 4 1 51 21 50 1 52 52 12 1 53 4 26 1 54 4 2 1 55 16 26 1 56 6 61 1 57 6 13 1 58 37 39 2 59 37 36 1 60 29 10 1 61 29 19 1 62 10 71 1 63 77 13 1 64 53 12 1 65 39 75 1 66 3 12 1 67 3 1 1 68 3 44 1 69 7 62 1 70 7 14 1 71 12 54 1 72 1 2 1 73 1 42 1 74 13 78 1 75 13 79 1 76 28 18 1 77 35 36 2 78 35 55 1 79 80 14 1 80 2 43 1 81 2 11 1 82 36 59 1 83 14 82 1 84 14 81 1 85 47 11 1 86 11 48 1 87 11 49 1