@MOLECULE (3z,5e,7r,8r,9s,10s,11r,13e,15e,17s,18r)-18-[(2s,3r,4s,6e,8s,9r,10e)-3,9-dihydroxy-4,8-dimethyl-5-oxo-6,10-dodecadien-2-yl]-8,10-dihydroxy-3,17-dimethoxy-5,7,9,11,13-pentamethyloxacyclooctadeca-3,5,13,15-tetraen-2-one 107 107 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 7.7952 -0.7919 -0.0924 O.3 1 UNL1 -0.5868 2 O 5.6852 -0.9837 -1.8315 O.3 1 UNL1 -0.5746 3 O -1.0377 0.8313 -0.0348 O.3 1 UNL1 -0.4342 4 O -4.0267 1.7048 1.1292 O.3 1 UNL1 -0.5864 5 O -0.7724 4.3917 -0.4787 O.3 1 UNL1 -0.3832 6 O -7.4855 1.3971 0.0663 O.2 1 UNL1 -0.4337 7 O -0.1218 -2.0361 1.9038 O.2 1 UNL1 -0.2851 8 O -1.8776 0.3138 1.9802 O.2 1 UNL1 -0.5278 9 O -4.2076 -2.9755 1.5393 O.3 1 UNL1 -0.5670 10 C 5.4777 -1.1255 0.5705 C.3 1 UNL1 -0.2264 11 C 6.7590 -0.2773 0.7394 C.3 1 UNL1 0.1348 12 C 6.5980 1.1836 0.2573 C.3 1 UNL1 -0.1091 13 C 5.4854 -1.8970 -0.7703 C.3 1 UNL1 0.1583 14 C 4.1444 -2.6146 -1.0669 C.3 1 UNL1 -0.1178 15 C 5.5476 1.9345 1.1047 C.3 1 UNL1 -0.3160 16 C -2.7922 2.2322 -0.9038 C.3 1 UNL1 -0.1827 17 C 5.3215 -2.0969 1.7391 C.3 1 UNL1 -0.4521 18 C -1.5724 2.1609 0.0150 C.3 1 UNL1 0.0792 19 C -3.9938 1.4910 -0.2621 C.3 1 UNL1 0.1530 20 C 7.9535 1.8925 0.3302 C.3 1 UNL1 -0.4484 21 C -5.3411 2.0296 -0.7934 C.3 1 UNL1 -0.2192 22 C -0.3859 3.0366 -0.4769 C.3 1 UNL1 0.0737 23 C 4.3555 2.3156 0.2790 C.2 1 UNL1 0.0781 24 C 4.1227 -3.0862 -2.5266 C.3 1 UNL1 -0.4333 25 C 2.9803 -1.7094 -0.8308 C.2 1 UNL1 -0.1706 26 C -2.5073 1.6317 -2.2801 C.3 1 UNL1 -0.4438 27 C 0.8263 2.7405 0.3482 C.2 1 UNL1 -0.2359 28 C -5.6616 3.4011 -0.2046 C.3 1 UNL1 -0.4199 29 C 3.1192 1.9015 0.5974 C.2 1 UNL1 -0.2629 30 C 1.8736 -2.0395 -0.1407 C.2 1 UNL1 0.0058 31 C -6.4582 1.0525 -0.4581 C.2 1 UNL1 0.4760 32 C 4.6169 3.1941 -0.8989 C.3 1 UNL1 -0.4626 33 C 1.9451 2.2480 -0.1947 C.2 1 UNL1 -0.0934 34 C -1.1029 0.0706 1.0826 C.2 1 UNL1 0.5906 35 C 0.8417 -1.0290 0.0454 C.2 1 UNL1 -0.1903 36 C 1.6344 -3.3852 0.4561 C.3 1 UNL1 -0.4450 37 C -0.1200 -1.0332 0.9928 C.2 1 UNL1 0.0817 38 C -6.2397 -0.3525 -0.8836 C.2 1 UNL1 -0.3289 39 C -0.9067 5.0191 0.7819 C.3 1 UNL1 -0.2046 40 C -5.8806 -1.2994 -0.0162 C.2 1 UNL1 -0.0672 41 C -5.6602 -2.7260 -0.4166 C.3 1 UNL1 -0.1630 42 C -4.3087 -3.2354 0.1480 C.3 1 UNL1 0.1508 43 C -6.8221 -3.5763 0.1057 C.3 1 UNL1 -0.4463 44 C -1.2756 -2.1843 2.7269 C.3 1 UNL1 -0.2162 45 C -3.1655 -2.4868 -0.4678 C.2 1 UNL1 -0.2243 46 C -2.4641 -2.9611 -1.4997 C.2 1 UNL1 -0.1096 47 C -1.3309 -2.2205 -2.1142 C.3 1 UNL1 -0.4564 48 H 3.1019 -0.7175 -1.2750 H 1 UNL1 0.1658 49 H 0.7354 2.9337 1.4135 H 1 UNL1 0.1560 50 H 2.9273 1.2773 1.4698 H 1 UNL1 0.1625 51 H 2.0384 2.0733 -1.2702 H 1 UNL1 0.1500 52 H 0.8964 -0.1793 -0.6508 H 1 UNL1 0.1835 53 H -6.4104 -0.5350 -1.9406 H 1 UNL1 0.1672 54 H -5.7190 -1.0820 1.0444 H 1 UNL1 0.1700 55 H -2.9551 -1.5276 0.0034 H 1 UNL1 0.1661 56 H -2.6778 -3.9296 -1.9498 H 1 UNL1 0.1367 57 H 8.0543 -1.6864 0.1936 H 1 UNL1 0.3193 58 H 6.5939 -0.6111 -1.7615 H 1 UNL1 0.3365 59 H -3.3475 1.1570 1.5825 H 1 UNL1 0.3496 60 H -5.0185 -3.2523 2.0071 H 1 UNL1 0.3199 61 H 4.5972 -0.4308 0.5569 H 1 UNL1 0.1795 62 H 7.1269 -0.3032 1.7882 H 1 UNL1 0.1180 63 H 6.2659 1.1581 -0.8118 H 1 UNL1 0.1626 64 H 6.3137 -2.6412 -0.7972 H 1 UNL1 0.1046 65 H 4.0967 -3.5101 -0.3976 H 1 UNL1 0.1391 66 H 5.9923 2.8536 1.5426 H 1 UNL1 0.1590 67 H 5.2514 1.3294 1.9844 H 1 UNL1 0.1494 68 H -3.0468 3.3187 -1.0154 H 1 UNL1 0.1714 69 H 6.1096 -2.8555 1.7557 H 1 UNL1 0.1389 70 H 4.3558 -2.6207 1.6873 H 1 UNL1 0.1595 71 H 5.3383 -1.5737 2.7023 H 1 UNL1 0.1479 72 H -1.8408 2.4408 1.0616 H 1 UNL1 0.1623 73 H -3.8974 0.3951 -0.4465 H 1 UNL1 0.1225 74 H 8.3319 1.9473 1.3558 H 1 UNL1 0.1418 75 H 7.8931 2.9122 -0.0641 H 1 UNL1 0.1411 76 H 8.7084 1.3568 -0.2633 H 1 UNL1 0.1634 77 H -5.2833 2.1075 -1.9077 H 1 UNL1 0.1557 78 H -0.2036 2.8802 -1.5694 H 1 UNL1 0.1558 79 H 4.2158 -2.2326 -3.2139 H 1 UNL1 0.1675 80 H 3.1880 -3.6042 -2.7614 H 1 UNL1 0.1397 81 H 4.9550 -3.7626 -2.7417 H 1 UNL1 0.1389 82 H -2.1515 0.5954 -2.2031 H 1 UNL1 0.1575 83 H -1.7398 2.2010 -2.8168 H 1 UNL1 0.1461 84 H -3.4014 1.6280 -2.9132 H 1 UNL1 0.1425 85 H -5.6756 3.3561 0.8968 H 1 UNL1 0.1767 86 H -6.6528 3.7494 -0.5194 H 1 UNL1 0.1502 87 H -4.9234 4.1548 -0.4921 H 1 UNL1 0.1380 88 H 5.6300 3.6160 -0.9004 H 1 UNL1 0.1537 89 H 3.9150 4.0405 -0.9367 H 1 UNL1 0.1619 90 H 4.4981 2.6344 -1.8407 H 1 UNL1 0.1662 91 H 2.2460 -4.1734 0.0026 H 1 UNL1 0.1434 92 H 0.5830 -3.6947 0.3449 H 1 UNL1 0.1660 93 H 1.8424 -3.3752 1.5378 H 1 UNL1 0.1641 94 H -1.3047 6.0068 0.5137 H 1 UNL1 0.1472 95 H 0.0687 5.1240 1.2670 H 1 UNL1 0.1290 96 H -1.6148 4.4925 1.4282 H 1 UNL1 0.1297 97 H -5.6163 -2.8215 -1.5310 H 1 UNL1 0.1530 98 H -4.2188 -4.3379 0.0166 H 1 UNL1 0.1194 99 H -6.9341 -3.5025 1.1933 H 1 UNL1 0.1460 100 H -6.6963 -4.6334 -0.1504 H 1 UNL1 0.1438 101 H -7.7743 -3.2448 -0.3317 H 1 UNL1 0.1598 102 H -1.0904 -3.1553 3.2011 H 1 UNL1 0.1429 103 H -2.2002 -2.2222 2.1370 H 1 UNL1 0.1680 104 H -1.3193 -1.3828 3.4722 H 1 UNL1 0.1514 105 H -1.2600 -1.1777 -1.7672 H 1 UNL1 0.1638 106 H -1.4005 -2.1991 -3.2096 H 1 UNL1 0.1514 107 H -0.3683 -2.6969 -1.8585 H 1 UNL1 0.1694 @BOND 1 79 24 1 2 106 47 1 3 84 26 1 4 83 26 1 5 80 24 1 6 81 24 1 7 24 14 1 8 26 82 1 9 26 16 1 10 47 107 1 11 47 105 1 12 47 46 1 13 56 46 1 14 53 38 1 15 77 21 1 16 90 32 1 17 2 58 1 18 2 13 1 19 78 22 1 20 97 41 1 21 46 45 2 22 48 25 1 23 51 33 1 24 14 25 1 25 14 13 1 26 14 65 1 27 68 16 1 28 89 32 1 29 16 19 1 30 16 18 1 31 88 32 1 32 32 23 1 33 38 31 1 34 38 40 2 35 25 30 2 36 63 12 1 37 64 13 1 38 21 31 1 39 21 19 1 40 21 28 1 41 13 10 1 42 52 35 1 43 86 28 1 44 87 28 1 45 5 22 1 46 5 39 1 47 22 18 1 48 22 27 1 49 45 55 1 50 45 42 1 51 31 6 2 52 73 19 1 53 41 40 1 54 41 43 1 55 41 42 1 56 101 43 1 57 76 20 1 58 19 4 1 59 28 85 1 60 33 27 2 61 33 29 1 62 100 43 1 63 30 35 1 64 30 36 1 65 1 57 1 66 1 11 1 67 75 20 1 68 3 18 1 69 3 34 1 70 40 54 1 71 91 36 1 72 18 72 1 73 98 42 1 74 35 37 2 75 43 99 1 76 42 9 1 77 12 20 1 78 12 11 1 79 12 15 1 80 23 29 2 81 23 15 1 82 20 74 1 83 92 36 1 84 27 49 1 85 36 93 1 86 94 39 1 87 61 10 1 88 10 11 1 89 10 17 1 90 29 50 1 91 11 62 1 92 39 95 1 93 39 96 1 94 37 34 1 95 37 7 1 96 34 8 2 97 15 66 1 98 15 67 1 99 4 59 1 100 9 60 1 101 70 17 1 102 17 69 1 103 17 71 1 104 7 44 1 105 103 44 1 106 44 102 1 107 44 104 1