@MOLECULE 2,3-dimethoxy-5-methyl-6-[(2E,5E,7E)-3-methyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-3,5-dimethyl-2-[(E)-1-methylprop-1-enyl]tetrahydropyran-2-yl]oxy-deca-2,5,7-trienyl]piperidine-2,3,5,6-tetraid-4-one 88 89 0 0 0 SMALL USER_CHARGES @ATOM 1 O 3.1431 -0.2293 1.0484 O.3 1 UNL11111111 -0.4507 2 O 1.9826 1.6338 0.4424 O.3 1 UNL11111111 -0.4343 3 O 1.5361 -1.6608 -0.8559 O.3 1 UNL11111111 -0.6245 4 O 5.0949 -0.5077 -2.0438 O.3 1 UNL11111111 -0.5812 5 O 2.4309 1.1739 -2.5958 O.3 1 UNL11111111 -0.5366 6 O 5.4483 -1.9272 1.6963 O.3 1 UNL11111111 -0.5502 7 O -1.9031 -1.6981 -2.5710 O.3 1 UNL11111111 -0.3368 8 O -0.6491 -3.2025 -0.4964 O.3 1 UNL11111111 -0.3274 9 O -2.0161 -3.1330 2.0188 O.2 1 UNL11111111 -0.5306 10 N -3.4421 -0.9954 -1.1282 N.4 1 UNL11111111 -0.4393 11 C 1.5838 -0.2518 -0.8973 C.3 1 UNL11111111 0.2730 12 C 4.1277 0.0832 -1.1862 C.3 1 UNL11111111 0.2292 13 C 2.7503 -0.0068 -1.8936 C.3 1 UNL11111111 0.0611 14 C 1.9038 0.2315 0.5569 C.3 1 UNL11111111 0.3896 15 C 4.0630 -0.7528 0.1109 C.3 1 UNL11111111 0.0111 16 C 0.2820 0.3442 -1.4013 C.3 1 UNL11111111 -0.4898 17 C 4.6198 1.5119 -1.0136 C.3 1 UNL11111111 -0.4661 18 C 0.8605 -0.2003 1.5654 C.2 1 UNL11111111 -0.0778 19 C 5.3921 -0.7775 0.8780 C.3 1 UNL11111111 -0.0178 20 C 1.0906 -1.5158 2.2161 C.3 1 UNL11111111 -0.4392 21 C 2.5077 2.2986 1.5889 C.3 1 UNL11111111 -0.0146 22 C -0.1880 0.5967 1.8089 C.2 1 UNL11111111 -0.1450 23 C 2.2669 3.7869 1.2954 C.3 1 UNL11111111 -0.3049 24 C -1.2733 0.3009 2.7781 C.3 1 UNL11111111 -0.4483 25 C 0.8015 4.0737 1.3426 C.2 1 UNL11111111 -0.1278 26 C 0.0042 3.8421 0.2900 C.2 1 UNL11111111 -0.1684 27 C -1.4378 4.0293 0.3428 C.2 1 UNL11111111 -0.1699 28 C -2.2551 3.4969 -0.5757 C.2 1 UNL11111111 -0.1373 29 C -3.7415 3.6638 -0.5322 C.3 1 UNL11111111 -0.3058 30 C -4.4071 2.3328 -0.7634 C.2 1 UNL11111111 0.0523 31 C -4.5797 1.4884 0.2611 C.2 1 UNL11111111 -0.2208 32 C -5.1698 0.1176 0.1711 C.3 1 UNL11111111 -0.2887 33 C -4.0431 -0.8785 0.1233 C.3 1 UNL11111111 0.2104 34 C -4.7991 2.0656 -2.1761 C.3 1 UNL11111111 -0.4645 35 C -3.6084 -1.6139 1.1838 C.3 1 UNL11111111 -0.2240 36 C -2.4375 -2.4907 1.0730 C.2 1 UNL11111111 0.4746 37 C -2.3342 -1.8155 -1.2901 C.3 1 UNL11111111 0.3515 38 C -1.8145 -2.5314 -0.2436 C.3 1 UNL11111111 -0.1577 39 C -4.2742 -1.5604 2.5113 C.3 1 UNL11111111 -0.4084 40 C -0.9530 -2.6657 -3.0193 C.3 1 UNL11111111 -0.1705 41 C -0.4424 -4.3948 0.2601 C.3 1 UNL11111111 -0.1836 42 H 2.7618 -0.8387 -2.6419 H 1 UNL11111111 0.1437 43 H 3.7307 -1.7977 -0.1190 H 1 UNL11111111 0.1620 44 H -0.5652 0.0847 -0.7558 H 1 UNL11111111 0.1574 45 H 0.3518 1.4440 -1.4341 H 1 UNL11111111 0.1827 46 H 0.0546 0.0069 -2.4204 H 1 UNL11111111 0.1674 47 H 5.1352 1.8589 -1.9195 H 1 UNL11111111 0.1582 48 H 3.7766 2.1952 -0.8167 H 1 UNL11111111 0.1893 49 H 5.3304 1.6121 -0.1878 H 1 UNL11111111 0.1525 50 H 5.5191 0.1172 1.5139 H 1 UNL11111111 0.1292 51 H 6.2586 -0.8914 0.1989 H 1 UNL11111111 0.1564 52 H 0.6851 -2.0143 -0.5158 H 1 UNL11111111 0.3664 53 H 4.9533 -1.4688 -2.1420 H 1 UNL11111111 0.3202 54 H 3.2022 1.4613 -3.1289 H 1 UNL11111111 0.3184 55 H 1.7553 -2.1632 1.6245 H 1 UNL11111111 0.1621 56 H 1.5578 -1.3900 3.2028 H 1 UNL11111111 0.1529 57 H 0.1490 -2.0711 2.3691 H 1 UNL11111111 0.1718 58 H 3.5825 2.0616 1.6741 H 1 UNL11111111 0.1274 59 H 1.9843 1.9590 2.4991 H 1 UNL11111111 0.1316 60 H -0.2931 1.5566 1.2913 H 1 UNL11111111 0.1654 61 H 4.6447 -1.9708 2.2577 H 1 UNL11111111 0.3236 62 H 2.8272 4.4043 2.0222 H 1 UNL11111111 0.1445 63 H 2.6859 4.0342 0.2965 H 1 UNL11111111 0.1613 64 H -2.2320 0.7292 2.4571 H 1 UNL11111111 0.1453 65 H -1.0372 0.7181 3.7672 H 1 UNL11111111 0.1525 66 H -1.4358 -0.7814 2.9173 H 1 UNL11111111 0.1725 67 H 0.4232 4.4423 2.2917 H 1 UNL11111111 0.1374 68 H 0.4142 3.4608 -0.6499 H 1 UNL11111111 0.1663 69 H -1.8195 4.6123 1.1807 H 1 UNL11111111 0.1445 70 H -1.8807 2.9059 -1.4104 H 1 UNL11111111 0.1523 71 H -4.0519 4.4080 -1.2980 H 1 UNL11111111 0.1571 72 H -4.0734 4.1031 0.4324 H 1 UNL11111111 0.1546 73 H -5.8259 -0.0792 1.0494 H 1 UNL11111111 0.1751 74 H -5.8480 0.0035 -0.7007 H 1 UNL11111111 0.1577 75 H -4.2464 1.7585 1.2646 H 1 UNL11111111 0.1614 76 H -3.9120 2.0207 -2.8279 H 1 UNL11111111 0.1647 77 H -5.3635 1.1354 -2.3104 H 1 UNL11111111 0.1456 78 H -5.4370 2.8718 -2.5710 H 1 UNL11111111 0.1619 79 H -3.7055 -0.3682 -1.8819 H 1 UNL11111111 0.3320 80 H -4.3359 -0.5373 2.9057 H 1 UNL11111111 0.1474 81 H -5.2902 -1.9772 2.4733 H 1 UNL11111111 0.1473 82 H -3.7237 -2.1571 3.2628 H 1 UNL11111111 0.1808 83 H -0.9322 -2.4725 -4.0990 H 1 UNL11111111 0.1436 84 H -1.2846 -3.6849 -2.8038 H 1 UNL11111111 0.1423 85 H 0.0285 -2.4623 -2.5631 H 1 UNL11111111 0.1716 86 H 0.3572 -4.8881 -0.3045 H 1 UNL11111111 0.1374 87 H -1.3431 -5.0106 0.3041 H 1 UNL11111111 0.1354 88 H -0.1136 -4.1337 1.2747 H 1 UNL11111111 0.1593 @BOND 1 83 40 1 2 54 5 1 3 40 84 1 4 40 7 1 5 40 85 1 6 76 34 1 7 42 13 1 8 5 13 1 9 7 37 1 10 78 34 1 11 46 16 1 12 77 34 1 13 34 30 1 14 53 4 1 15 4 12 1 16 47 17 1 17 13 12 1 18 13 11 1 19 79 10 1 20 45 16 1 21 70 28 1 22 16 11 1 23 16 44 1 24 71 29 1 25 37 10 1 26 37 38 1 27 12 17 1 28 12 15 1 29 10 33 1 30 17 48 1 31 17 49 1 32 11 3 1 33 11 14 1 34 3 52 1 35 30 29 1 36 30 31 2 37 74 32 1 38 68 26 1 39 28 29 1 40 28 27 2 41 29 72 1 42 8 38 1 43 8 41 1 44 86 41 1 45 38 36 1 46 43 15 1 47 15 19 1 48 15 1 1 49 33 32 1 50 33 35 1 51 32 31 1 52 32 73 1 53 51 19 1 54 41 87 1 55 41 88 1 56 31 75 1 57 26 27 1 58 26 25 2 59 63 23 1 60 27 69 1 61 2 14 1 62 2 21 1 63 14 1 1 64 14 18 1 65 19 50 1 66 19 6 1 67 36 35 1 68 36 9 2 69 35 39 1 70 60 22 1 71 23 25 1 72 23 21 1 73 23 62 1 74 25 67 1 75 18 22 2 76 18 20 1 77 21 58 1 78 21 59 1 79 55 20 1 80 6 61 1 81 22 24 1 82 20 57 1 83 20 56 1 84 64 24 1 85 81 39 1 86 39 80 1 87 39 82 1 88 24 66 1 89 24 65 1