@MOLECULE (5beta)-3beta-((2,6-dideoxy-beta-d-ribo-hexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide 80 85 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -3.0015 0.6215 -0.2152 C.3 1 UNL1 0.2841 2 C -3.5745 -0.6243 0.5235 C.3 1 UNL1 0.0659 3 C 0.6687 0.6821 1.1909 C.3 1 UNL1 0.0674 4 C -1.7081 1.2013 0.3945 C.3 1 UNL1 -0.1831 5 C -0.6445 0.1057 0.6015 C.3 1 UNL1 -0.1232 6 C -4.5307 -1.2799 -0.5254 C.3 1 UNL1 -0.1516 7 C 5.0845 0.4226 -0.6460 C.3 1 UNL1 0.3443 8 C 1.1944 1.8284 0.2866 C.3 1 UNL1 -0.1050 9 C 7.3779 -0.9168 0.4414 C.3 1 UNL1 0.0308 10 C 7.4358 0.6061 0.1841 C.3 1 UNL1 0.1427 11 C 6.3807 -1.5738 -0.5388 C.3 1 UNL1 0.1081 12 C 2.7209 0.2211 -0.9515 C.3 1 UNL1 0.1412 13 C -4.2745 -0.2572 1.8253 C.3 1 UNL1 -0.4546 14 C 0.4534 1.2215 2.6185 C.3 1 UNL1 -0.4667 15 C 6.1459 -3.0480 -0.2272 C.3 1 UNL1 -0.4730 16 H -3.7243 2.4683 -0.4513 H 1 UNL1 0.3200 17 H 8.7582 -2.3330 0.2693 H 1 UNL1 0.3252 18 H 8.6808 0.3259 -1.3224 H 1 UNL1 0.3358 19 O -9.3799 -1.0918 0.0664 O.2 1 UNL1 -0.4422 20 C 6.0340 1.2043 0.2705 C.3 1 UNL1 -0.3716 21 C -2.9164 0.2144 -1.7018 C.3 1 UNL1 -0.3333 22 C -2.4427 -1.6382 0.8021 C.3 1 UNL1 -0.2996 23 C -1.2408 -0.9947 1.4933 C.3 1 UNL1 -0.2838 24 C -3.9486 -0.9054 -1.9118 C.3 1 UNL1 -0.2594 25 C 1.7676 -0.4037 1.2853 C.3 1 UNL1 -0.2836 26 C -1.1694 2.3455 -0.4782 C.3 1 UNL1 -0.2775 27 C -6.4561 0.5338 -0.6883 C.3 1 UNL1 -0.0609 28 C 1.6628 1.3237 -1.0900 C.3 1 UNL1 -0.3150 29 C 0.1247 2.9177 0.1081 C.3 1 UNL1 -0.2827 30 C 2.2129 -0.9310 -0.0786 C.3 1 UNL1 -0.3154 31 O -4.0131 1.6111 -0.0890 O.3 1 UNL1 -0.5968 32 O 8.6942 -1.3628 0.1747 O.3 1 UNL1 -0.5682 33 O 7.8744 0.8574 -1.1381 O.3 1 UNL1 -0.5627 34 O 3.8068 0.8686 -0.2904 O.3 1 UNL1 -0.4320 35 C -5.9462 -0.8588 -0.4034 C.2 1 UNL1 0.0809 36 C -8.2312 -0.8303 -0.1418 C.2 1 UNL1 0.5970 37 O 5.1137 -0.9731 -0.3473 O.3 1 UNL1 -0.4805 38 O -7.8843 0.4557 -0.5428 O.3 1 UNL1 -0.4055 39 C -6.9956 -1.6362 -0.0726 C.2 1 UNL1 -0.3706 40 H -0.3970 -0.3405 -0.3924 H 1 UNL1 0.1389 41 H -4.4886 -2.3920 -0.3990 H 1 UNL1 0.1519 42 H -1.9832 1.6195 1.3967 H 1 UNL1 0.1593 43 H 2.0837 2.2806 0.7952 H 1 UNL1 0.1481 44 H 5.2766 0.5567 -1.7301 H 1 UNL1 0.1188 45 H 6.0501 2.2699 -0.0348 H 1 UNL1 0.1777 46 H 5.6553 1.1839 1.3105 H 1 UNL1 0.1727 47 H -7.0254 -2.6720 0.1990 H 1 UNL1 0.1857 48 H 7.1248 -1.1387 1.4982 H 1 UNL1 0.1366 49 H 8.1523 1.1005 0.8769 H 1 UNL1 0.1338 50 H 6.7086 -1.4194 -1.5920 H 1 UNL1 0.1371 51 H -3.1225 1.0763 -2.3561 H 1 UNL1 0.1472 52 H -1.9009 -0.1338 -1.9532 H 1 UNL1 0.1468 53 H -2.8357 -2.4639 1.4253 H 1 UNL1 0.1429 54 H -2.1094 -2.1040 -0.1457 H 1 UNL1 0.1411 55 H -0.4789 -1.7678 1.7084 H 1 UNL1 0.1421 56 H -1.5362 -0.5806 2.4749 H 1 UNL1 0.1450 57 H -3.4787 -1.7876 -2.3784 H 1 UNL1 0.1365 58 H -4.7422 -0.5898 -2.6092 H 1 UNL1 0.1445 59 H 2.6531 0.0285 1.7983 H 1 UNL1 0.1545 60 H 1.4306 -1.2387 1.9237 H 1 UNL1 0.1310 61 H -0.9848 1.9918 -1.5099 H 1 UNL1 0.1378 62 H -1.9218 3.1524 -0.5620 H 1 UNL1 0.1259 63 H -6.1170 1.2904 0.0462 H 1 UNL1 0.1868 64 H -6.2616 0.8910 -1.7107 H 1 UNL1 0.1585 65 H 0.8120 0.9381 -1.6790 H 1 UNL1 0.1427 66 H 2.0850 2.1702 -1.6646 H 1 UNL1 0.1469 67 H -0.0814 3.4001 1.0825 H 1 UNL1 0.1405 68 H 0.5130 3.7213 -0.5451 H 1 UNL1 0.1361 69 H 3.0496 -0.1478 -1.9470 H 1 UNL1 0.1129 70 H 1.3890 -1.4595 -0.5890 H 1 UNL1 0.1365 71 H 3.0206 -1.6790 0.0595 H 1 UNL1 0.1623 72 H -5.0147 0.5429 1.6847 H 1 UNL1 0.1682 73 H -4.7942 -1.1178 2.2606 H 1 UNL1 0.1486 74 H -3.5606 0.1157 2.5695 H 1 UNL1 0.1503 75 H 0.2382 0.4122 3.3236 H 1 UNL1 0.1443 76 H 1.3459 1.7418 2.9831 H 1 UNL1 0.1456 77 H -0.3801 1.9292 2.6653 H 1 UNL1 0.1471 78 H 5.3678 -3.4598 -0.8857 H 1 UNL1 0.1651 79 H 7.0515 -3.6434 -0.3693 H 1 UNL1 0.1456 80 H 5.7876 -3.1869 0.8011 H 1 UNL1 0.1611 @BOND 1 58 24 1 2 57 24 1 3 51 21 1 4 52 21 1 5 69 12 1 6 24 21 1 7 24 6 1 8 44 7 1 9 64 27 1 10 21 1 1 11 65 28 1 12 66 28 1 13 50 11 1 14 61 26 1 15 18 33 1 16 33 10 1 17 28 12 1 18 28 8 1 19 12 34 1 20 12 30 1 21 78 15 1 22 27 38 1 23 27 35 1 24 27 63 1 25 7 37 1 26 7 34 1 27 7 20 1 28 70 30 1 29 62 26 1 30 68 29 1 31 38 36 1 32 11 37 1 33 11 15 1 34 11 9 1 35 6 35 1 36 6 41 1 37 6 2 1 38 26 29 1 39 26 4 1 40 16 31 1 41 35 39 2 42 40 5 1 43 79 15 1 44 15 80 1 45 1 31 1 46 1 4 1 47 1 2 1 48 54 22 1 49 36 39 1 50 36 19 2 51 30 71 1 52 30 25 1 53 39 47 1 54 45 20 1 55 29 8 1 56 29 67 1 57 32 17 1 58 32 9 1 59 10 20 1 60 10 9 1 61 10 49 1 62 20 46 1 63 8 43 1 64 8 3 1 65 4 5 1 66 4 42 1 67 9 48 1 68 2 22 1 69 2 13 1 70 5 3 1 71 5 23 1 72 22 53 1 73 22 23 1 74 3 25 1 75 3 14 1 76 25 59 1 77 25 60 1 78 23 55 1 79 23 56 1 80 72 13 1 81 13 73 1 82 13 74 1 83 14 77 1 84 14 76 1 85 14 75 1