@MOLECULE 2-[(2z,5z,7z,9r,10r,11z)-10-hydroxy-3,7,9,11-tetramethyl-2,5,7,11-tridecatetraen-1-yl]-5,6-dimethoxy-3-methyl-4-pyridinyl 6-deoxy-beta-d-talopyranoside 87 88 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 4.9663 -0.0032 -1.3418 C.3 1 UNL1 0.2636 2 C 6.0945 0.9434 -0.8749 C.3 1 UNL1 0.0392 3 C 7.3243 0.0792 -0.5037 C.3 1 UNL1 0.0560 4 C 6.9328 -0.9915 0.5420 C.3 1 UNL1 0.0496 5 C 5.7382 -1.8177 0.0152 C.3 1 UNL1 0.0985 6 C -6.1643 -0.4894 -0.0496 C.3 1 UNL1 -0.1559 7 C -6.6352 0.9287 0.3695 C.3 1 UNL1 0.1428 8 C -0.1662 -2.0775 -0.8197 C.3 1 UNL1 -0.2715 9 C -3.1487 -2.2381 -0.2920 C.3 1 UNL1 -0.3094 10 C 2.3340 -1.4596 -2.4021 C.3 1 UNL1 -0.4119 11 C 5.1216 -2.6751 1.1112 C.3 1 UNL1 -0.4543 12 C 2.8489 3.4802 0.3177 C.3 1 UNL1 -0.2048 13 C -0.6623 1.5471 2.3395 C.3 1 UNL1 -0.1900 14 C -3.5177 -1.2692 -2.6001 C.3 1 UNL1 -0.4611 15 C -7.0340 -1.0363 -1.1847 C.3 1 UNL1 -0.4472 16 C -5.2761 -2.5892 3.0941 C.3 1 UNL1 -0.4501 17 C -4.9119 2.3610 -0.8201 C.3 1 UNL1 -0.4487 18 C -8.7262 2.0869 -1.4586 C.3 1 UNL1 -0.4436 19 H 4.7630 1.8109 0.3411 H 1 UNL1 0.3671 20 H 8.0483 1.3014 0.8512 H 1 UNL1 0.3431 21 H 5.9708 0.3468 1.6101 H 1 UNL1 0.3495 22 H -5.0381 1.1381 1.5324 H 1 UNL1 0.3149 23 C 2.7034 0.4265 -0.8016 C.ar 1 UNL1 0.2695 24 C 2.3202 1.2152 0.2830 C.ar 1 UNL1 -0.0599 25 C 1.9103 -0.6483 -1.2324 C.ar 1 UNL1 -0.1705 26 C 1.0863 0.9069 0.8989 C.ar 1 UNL1 0.3581 27 C 0.7343 -0.9104 -0.5117 C.ar 1 UNL1 0.2401 28 O 5.7409 1.6546 0.2840 O.3 1 UNL1 -0.5826 29 O 8.3461 0.8913 -0.0012 O.3 1 UNL1 -0.5187 30 O 6.6246 -0.3867 1.7662 O.3 1 UNL1 -0.5376 31 O -5.9972 1.3300 1.5628 O.3 1 UNL1 -0.5498 32 C -2.5409 -1.7194 -1.5635 C.2 1 UNL1 0.0485 33 C -5.1665 -1.6602 1.9265 C.2 1 UNL1 0.0278 34 C -6.3370 1.9281 -0.7208 C.2 1 UNL1 -0.0506 35 O 3.8149 0.8229 -1.4952 O.3 1 UNL1 -0.3940 36 O 3.1521 2.1673 0.8031 O.3 1 UNL1 -0.2970 37 O 0.6945 1.7049 1.9111 O.3 1 UNL1 -0.2628 38 C -1.2222 -1.6520 -1.7890 C.2 1 UNL1 -0.2096 39 C -2.9581 -1.2653 0.8278 C.2 1 UNL1 -0.1205 40 C -3.8494 -1.0311 1.7951 C.2 1 UNL1 -0.2248 41 C -6.2135 -1.4075 1.1297 C.2 1 UNL1 -0.2090 42 C -7.2776 2.4248 -1.5337 C.2 1 UNL1 -0.1702 43 O 4.6582 -0.9717 -0.3734 O.3 1 UNL1 -0.4472 44 N 0.3251 -0.1341 0.5191 N.ar 1 UNL1 -0.4994 45 H 5.1394 -0.4790 -2.3284 H 1 UNL1 0.1259 46 H 6.3415 1.7030 -1.6489 H 1 UNL1 0.1522 47 H 7.7812 -0.3756 -1.4103 H 1 UNL1 0.1435 48 H 7.7972 -1.6460 0.7941 H 1 UNL1 0.1564 49 H 6.0318 -2.4214 -0.8708 H 1 UNL1 0.1134 50 H 0.4184 -2.9263 -1.2353 H 1 UNL1 0.1575 51 H -0.6029 -2.4682 0.1285 H 1 UNL1 0.1772 52 H 3.0335 -2.2537 -2.0936 H 1 UNL1 0.1616 53 H 1.4891 -1.9391 -2.9149 H 1 UNL1 0.1531 54 H 2.8477 -0.8441 -3.1569 H 1 UNL1 0.1595 55 H 4.1717 -3.1169 0.7851 H 1 UNL1 0.1572 56 H 5.7963 -3.4803 1.4174 H 1 UNL1 0.1530 57 H 4.9027 -2.0677 2.0053 H 1 UNL1 0.1833 58 H -0.8312 -1.2565 -2.7254 H 1 UNL1 0.1492 59 H 1.8412 3.7710 0.6304 H 1 UNL1 0.1401 60 H 3.6066 4.0971 0.8180 H 1 UNL1 0.1560 61 H 2.9564 3.5259 -0.7696 H 1 UNL1 0.1359 62 H -0.7455 2.3232 3.1092 H 1 UNL1 0.1458 63 H -1.3532 1.7250 1.5102 H 1 UNL1 0.1398 64 H -0.8176 0.5480 2.7625 H 1 UNL1 0.1498 65 H -4.2240 -2.4837 -0.4326 H 1 UNL1 0.1628 66 H -2.6860 -3.2119 -0.0100 H 1 UNL1 0.1622 67 H -4.1878 -2.0865 -2.9011 H 1 UNL1 0.1546 68 H -4.1522 -0.4525 -2.2216 H 1 UNL1 0.1622 69 H -3.0326 -0.8967 -3.5117 H 1 UNL1 0.1531 70 H -1.9891 -0.7475 0.8176 H 1 UNL1 0.1861 71 H -5.1090 -0.4041 -0.4200 H 1 UNL1 0.1566 72 H -7.7061 0.9299 0.6760 H 1 UNL1 0.1490 73 H -3.6213 -0.3349 2.6080 H 1 UNL1 0.1558 74 H -7.1848 -1.8606 1.3159 H 1 UNL1 0.1501 75 H -7.0198 3.1420 -2.3120 H 1 UNL1 0.1437 76 H -7.0029 -0.3764 -2.0607 H 1 UNL1 0.1521 77 H -6.6855 -2.0263 -1.5012 H 1 UNL1 0.1457 78 H -8.0814 -1.1403 -0.8805 H 1 UNL1 0.1465 79 H -5.3030 -2.0255 4.0387 H 1 UNL1 0.1596 80 H -6.1832 -3.2052 3.0601 H 1 UNL1 0.1493 81 H -4.4171 -3.2726 3.1456 H 1 UNL1 0.1561 82 H -4.2171 1.5097 -0.8364 H 1 UNL1 0.1532 83 H -4.7111 2.9544 -1.7214 H 1 UNL1 0.1511 84 H -4.6440 2.9902 0.0448 H 1 UNL1 0.1659 85 H -8.9030 1.0060 -1.5464 H 1 UNL1 0.1533 86 H -9.1602 2.4119 -0.4998 H 1 UNL1 0.1589 87 H -9.3067 2.5732 -2.2529 H 1 UNL1 0.1460 @BOND 1 69 14 1 2 54 10 1 3 53 10 1 4 67 14 1 5 58 38 1 6 14 68 1 7 14 32 1 8 10 52 1 9 10 25 1 10 45 1 1 11 75 42 1 12 87 18 1 13 76 15 1 14 38 32 2 15 38 8 1 16 83 17 1 17 46 2 1 18 32 9 1 19 85 18 1 20 42 18 1 21 42 34 2 22 77 15 1 23 35 1 1 24 35 23 1 25 18 86 1 26 47 3 1 27 1 2 1 28 1 43 1 29 50 8 1 30 25 23 ar 31 25 27 ar 32 15 78 1 33 15 6 1 34 2 3 1 35 2 28 1 36 49 5 1 37 82 17 1 38 17 34 1 39 17 84 1 40 8 27 1 41 8 51 1 42 23 24 ar 43 61 12 1 44 34 7 1 45 27 44 ar 46 3 29 1 47 3 4 1 48 65 9 1 49 71 6 1 50 43 5 1 51 9 66 1 52 9 39 1 53 6 7 1 54 6 41 1 55 29 20 1 56 5 4 1 57 5 11 1 58 24 36 1 59 24 26 ar 60 28 19 1 61 12 59 1 62 12 36 1 63 12 60 1 64 7 72 1 65 7 31 1 66 44 26 ar 67 4 48 1 68 4 30 1 69 55 11 1 70 70 39 1 71 39 40 2 72 26 37 1 73 11 56 1 74 11 57 1 75 41 74 1 76 41 33 2 77 63 13 1 78 22 31 1 79 21 30 1 80 40 33 1 81 40 73 1 82 37 13 1 83 33 16 1 84 13 64 1 85 13 62 1 86 80 16 1 87 16 81 1 88 16 79 1