@MOLECULE (3beta)-3-(beta-d-arabinopyranosyloxy)olean-12-en-28-oic acid 98 103 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -4.9998 -0.8409 0.4545 C.3 1 UNL1 -0.1223 2 C -5.9201 0.2623 -0.1078 C.3 1 UNL1 -0.0043 3 C -2.9673 0.3720 -0.6648 C.3 1 UNL1 0.0556 4 C -0.7180 0.1167 0.4506 C.3 1 UNL1 -0.1483 5 C -1.6959 1.1707 -0.1408 C.3 1 UNL1 0.0771 6 C 0.7467 0.6021 0.7197 C.3 1 UNL1 0.0778 7 C 1.2506 1.2109 -0.6195 C.3 1 UNL1 -0.1477 8 C 3.5380 0.2344 -0.2898 C.3 1 UNL1 0.1131 9 C 5.8677 -0.2847 -0.4671 C.3 1 UNL1 0.2632 10 C 8.1313 -1.6480 0.6723 C.3 1 UNL1 0.0548 11 C 8.3698 -0.5460 -0.3785 C.3 1 UNL1 0.0996 12 C 7.2087 0.4707 -0.3215 C.3 1 UNL1 0.0712 13 C 3.1458 1.8262 -2.1616 C.3 1 UNL1 -0.4667 14 C 0.8494 1.5557 1.9122 C.3 1 UNL1 -0.4560 15 C -2.1462 2.1956 0.9133 C.3 1 UNL1 -0.4712 16 C -7.1006 -3.0950 0.9516 C.3 1 UNL1 -0.4631 17 C -6.6172 -3.8786 -1.3691 C.3 1 UNL1 -0.4738 18 C 3.2130 2.7124 0.1599 C.3 1 UNL1 -0.4497 19 C -2.5825 -0.6399 -1.7702 C.3 1 UNL1 -0.4604 20 H 8.8809 -1.8832 -1.7341 H 1 UNL1 0.3419 21 H 9.1749 -3.2765 1.1272 H 1 UNL1 0.3256 22 H 6.4737 1.0652 1.4147 H 1 UNL1 0.3448 23 O -5.8137 1.3227 2.1071 O.2 1 UNL1 -0.5190 24 C -7.4688 -1.5491 -1.0259 C.3 1 UNL1 -0.2866 25 C -7.3733 -0.2435 -0.2346 C.3 1 UNL1 -0.2836 26 C -5.1309 -2.1562 -0.3347 C.3 1 UNL1 -0.2992 27 C -5.3834 0.7836 -1.4437 C.3 1 UNL1 -0.2693 28 C -3.9808 1.3695 -1.2678 C.3 1 UNL1 -0.2965 29 C -1.3527 -0.5335 1.6919 C.3 1 UNL1 -0.2767 30 C -1.0407 1.9363 -1.3114 C.3 1 UNL1 -0.3010 31 C 0.3762 2.4183 -0.9857 C.3 1 UNL1 -0.2712 32 C 3.0985 -0.3470 1.0527 C.3 1 UNL1 -0.3188 33 C 1.6022 -0.6553 1.0316 C.3 1 UNL1 -0.2989 34 C 6.7458 -2.2843 0.4614 C.3 1 UNL1 -0.0726 35 O 8.3167 -1.0786 -1.6866 O.3 1 UNL1 -0.5661 36 O 9.1327 -2.6140 0.4124 O.3 1 UNL1 -0.5718 37 O -6.3528 2.5619 0.3473 O.3 1 UNL1 -0.5659 38 O 7.3280 1.1155 0.9258 O.3 1 UNL1 -0.5493 39 C -5.9852 1.3816 0.9179 C.2 1 UNL1 0.6248 40 O 4.8950 0.6714 -0.1717 O.3 1 UNL1 -0.4307 41 H -6.4294 3.3021 0.9965 H 1 UNL1 0.3490 42 O 5.7529 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1 UNL1 0.1359 65 H -1.6701 2.8020 -1.5898 H 1 UNL1 0.1371 66 H 0.3571 3.1566 -0.1641 H 1 UNL1 0.1435 67 H 0.7928 2.9545 -1.8578 H 1 UNL1 0.1336 68 H 3.6736 -1.2687 1.2739 H 1 UNL1 0.1592 69 H 3.3558 0.3505 1.8712 H 1 UNL1 0.1520 70 H 1.3027 -1.0746 2.0102 H 1 UNL1 0.1421 71 H 1.3977 -1.4467 0.2868 H 1 UNL1 0.1346 72 H 3.4588 -0.5309 -1.0921 H 1 UNL1 0.1172 73 H 2.7541 2.7959 -2.4840 H 1 UNL1 0.1455 74 H 4.2358 1.8653 -2.2785 H 1 UNL1 0.1550 75 H 2.7636 1.0677 -2.8497 H 1 UNL1 0.1383 76 H 6.6866 -2.8089 -0.5095 H 1 UNL1 0.1397 77 H 6.4678 -2.9778 1.2737 H 1 UNL1 0.1408 78 H 8.2504 -1.2406 1.6994 H 1 UNL1 0.1462 79 H 9.3564 -0.0547 -0.2371 H 1 UNL1 0.1485 80 H 7.3145 1.2616 -1.0962 H 1 UNL1 0.1589 81 H 0.2668 1.1982 2.7687 H 1 UNL1 0.1445 82 H 1.8843 1.6613 2.2586 H 1 UNL1 0.1480 83 H 0.4956 2.5632 1.6651 H 1 UNL1 0.1488 84 H -2.8006 1.7413 1.6681 H 1 UNL1 0.1621 85 H -1.2950 2.6317 1.4426 H 1 UNL1 0.1522 86 H -2.6963 3.0294 0.4660 H 1 UNL1 0.1383 87 H -8.1271 -3.4699 0.8916 H 1 UNL1 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