@MOLECULE (3beta,9xi,15alpha,16alpha,18xi,21beta,22alpha)-22-acetoxy-3,15,16,21-tetrahydroxyolean-12-en-28-yl 2-methylbutanoate 105 109 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.2869 -3.2561 0.0422 O.3 1 UNL1111111111 -0.5666 2 O 1.8754 -2.4040 1.8490 O.3 1 UNL1111111111 -0.5940 3 O 3.9772 -0.8168 1.5306 O.3 1 UNL1111111111 -0.4846 4 O -7.5604 1.9762 0.0060 O.3 1 UNL1111111111 -0.5663 5 O 5.0683 -2.3429 -0.4947 O.3 1 UNL1111111111 -0.5591 6 O 2.5632 1.8524 0.0572 O.3 1 UNL1111111111 -0.4435 7 O 5.9961 -0.1390 0.8048 O.2 1 UNL1111111111 -0.5283 8 O 2.3748 3.5776 1.4762 O.2 1 UNL1111111111 -0.5181 9 C -2.2077 -0.5870 0.4424 C.3 1 UNL1111111111 0.0778 10 C -2.9796 0.2503 -0.6191 C.3 1 UNL1111111111 -0.1467 11 C -0.9619 -1.2403 -0.2990 C.3 1 UNL1111111111 0.0181 12 C -4.4128 0.7468 -0.2248 C.3 1 UNL1111111111 0.0681 13 C -5.2009 -0.4973 0.2640 C.3 1 UNL1111111111 -0.1467 14 C -3.1282 -1.6918 1.0034 C.3 1 UNL1111111111 -0.3037 15 C -0.1456 -0.1563 -0.9512 C.2 1 UNL1111111111 -0.0368 16 C 1.3437 -0.3491 -1.0784 C.3 1 UNL1111111111 -0.1162 17 C 1.9348 -0.4037 0.3575 C.3 1 UNL1111111111 -0.0578 18 C -0.1098 -2.0674 0.7023 C.3 1 UNL1111111111 0.1196 19 C -4.4843 -1.1461 1.4562 C.3 1 UNL1111111111 -0.2731 20 C -6.7098 -0.2729 0.5493 C.3 1 UNL1111111111 0.0324 21 C -2.0984 1.4021 -1.1318 C.3 1 UNL1111111111 -0.2830 22 C 1.1276 -1.3332 1.3022 C.3 1 UNL1111111111 0.0929 23 C -5.0881 1.3039 -1.5159 C.3 1 UNL1111111111 -0.3046 24 C -1.7047 0.2670 1.6138 C.3 1 UNL1111111111 -0.4690 25 C -0.6849 0.9960 -1.3702 C.2 1 UNL1111111111 -0.1878 26 C 1.7096 -1.5466 -1.9665 C.3 1 UNL1111111111 -0.3256 27 C 3.4382 -0.7076 0.2083 C.3 1 UNL1111111111 0.0614 28 C -1.4458 -2.1959 -1.4106 C.3 1 UNL1111111111 -0.4382 29 C -7.3393 0.6841 -0.5047 C.3 1 UNL1111111111 0.1429 30 C -4.3703 1.8719 0.8148 C.3 1 UNL1111111111 -0.4596 31 C -6.4927 0.7542 -1.7799 C.3 1 UNL1111111111 -0.3302 32 C 3.2161 -1.8576 -2.0168 C.3 1 UNL1111111111 0.0565 33 C 3.7062 -2.0143 -0.5553 C.3 1 UNL1111111111 0.0894 34 C 1.8434 1.0211 0.9690 C.3 1 UNL1111111111 -0.0432 35 C -7.4260 -1.6349 0.3916 C.3 1 UNL1111111111 -0.4672 36 C -7.0022 0.2503 1.9584 C.3 1 UNL1111111111 -0.4515 37 C 3.9863 -0.7645 -2.7659 C.3 1 UNL1111111111 -0.4625 38 C 3.4351 -3.1975 -2.7333 C.3 1 UNL1111111111 -0.4573 39 C 5.3037 -0.5617 1.6943 C.2 1 UNL1111111111 0.6734 40 C 2.7978 3.1318 0.4423 C.2 1 UNL1111111111 0.6082 41 C 5.6893 -0.8468 3.1023 C.3 1 UNL1111111111 -0.5117 42 C 3.6329 3.8325 -0.6033 C.3 1 UNL1111111111 -0.1592 43 C 5.0238 3.1782 -0.6619 C.3 1 UNL1111111111 -0.2480 44 C 2.9272 3.7519 -1.9565 C.3 1 UNL1111111111 -0.4386 45 C 5.8043 3.4004 0.6312 C.3 1 UNL1111111111 -0.4449 46 H -3.1536 -0.4428 -1.4882 H 1 UNL1111111111 0.1429 47 H -5.1550 -1.2342 -0.5854 H 1 UNL1111111111 0.1418 48 H -3.2948 -2.4785 0.2421 H 1 UNL1111111111 0.1453 49 H -2.6367 -2.2052 1.8513 H 1 UNL1111111111 0.1400 50 H 1.7859 0.5571 -1.5820 H 1 UNL1111111111 0.1586 51 H -0.7397 -2.4221 1.5555 H 1 UNL1111111111 0.1317 52 H -4.3634 -0.4284 2.2861 H 1 UNL1111111111 0.1409 53 H -5.0953 -1.9724 1.8664 H 1 UNL1111111111 0.1345 54 H -2.5327 1.8245 -2.0606 H 1 UNL1111111111 0.1402 55 H -2.1000 2.2413 -0.4004 H 1 UNL1111111111 0.1546 56 H 0.7835 -0.7444 2.1912 H 1 UNL1111111111 0.1301 57 H -4.4640 1.0851 -2.4038 H 1 UNL1111111111 0.1404 58 H -5.1292 2.4083 -1.4687 H 1 UNL1111111111 0.1407 59 H -0.9959 1.0337 1.2816 H 1 UNL1111111111 0.1512 60 H -1.2210 -0.3396 2.3850 H 1 UNL1111111111 0.1403 61 H -2.5292 0.7909 2.1115 H 1 UNL1111111111 0.1542 62 H -0.0869 1.7521 -1.8784 H 1 UNL1111111111 0.1431 63 H 1.1728 -2.4574 -1.6205 H 1 UNL1111111111 0.1885 64 H 1.3336 -1.3591 -2.9900 H 1 UNL1111111111 0.1467 65 H 3.9550 0.1497 -0.2956 H 1 UNL1111111111 0.1687 66 H -1.9531 -3.0738 -0.9930 H 1 UNL1111111111 0.1546 67 H -0.6051 -2.5899 -1.9973 H 1 UNL1111111111 0.1645 68 H -2.1200 -1.7003 -2.1154 H 1 UNL1111111111 0.1393 69 H -8.3869 0.3762 -0.7383 H 1 UNL1111111111 0.1360 70 H -3.7058 2.6870 0.5059 H 1 UNL1111111111 0.1474 71 H -5.3610 2.3124 0.9863 H 1 UNL1111111111 0.1361 72 H -4.0154 1.5117 1.7892 H 1 UNL1111111111 0.1555 73 H -7.0053 1.3972 -2.5223 H 1 UNL1111111111 0.1494 74 H -6.4348 -0.2502 -2.2392 H 1 UNL1111111111 0.1434 75 H 3.2283 -2.8949 -0.0656 H 1 UNL1111111111 0.1621 76 H 2.3173 1.0771 1.9647 H 1 UNL1111111111 0.1475 77 H 0.8049 1.3964 1.0212 H 1 UNL1111111111 0.1490 78 H -6.8475 -0.5220 2.7184 H 1 UNL1111111111 0.1410 79 H -6.3735 1.1036 2.2261 H 1 UNL1111111111 0.1453 80 H -8.0441 0.5910 2.0374 H 1 UNL1111111111 0.1590 81 H -7.3597 -2.0114 -0.6337 H 1 UNL1111111111 0.1413 82 H -6.9900 -2.3938 1.0495 H 1 UNL1111111111 0.1476 83 H -8.4873 -1.5556 0.6513 H 1 UNL1111111111 0.1479 84 H 1.0891 -3.6213 0.4836 H 1 UNL1111111111 0.3390 85 H 2.8030 -2.1364 2.0119 H 1 UNL1111111111 0.3533 86 H 3.6750 -0.7179 -3.8162 H 1 UNL1111111111 0.1505 87 H 3.8219 0.2309 -2.3405 H 1 UNL1111111111 0.1436 88 H 5.0650 -0.9601 -2.7587 H 1 UNL1111111111 0.1493 89 H 2.8544 -4.0047 -2.2733 H 1 UNL1111111111 0.1473 90 H 3.1486 -3.1435 -3.7873 H 1 UNL1111111111 0.1424 91 H 4.4919 -3.4944 -2.6826 H 1 UNL1111111111 0.1623 92 H -6.7123 2.4196 0.2293 H 1 UNL1111111111 0.3163 93 H 5.6378 -1.5777 -0.7320 H 1 UNL1111111111 0.3337 94 H 5.9113 -1.9203 3.2314 H 1 UNL1111111111 0.1928 95 H 6.5962 -0.2868 3.3819 H 1 UNL1111111111 0.1882 96 H 4.8923 -0.5920 3.8179 H 1 UNL1111111111 0.1866 97 H 3.7400 4.9049 -0.2965 H 1 UNL1111111111 0.1680 98 H 5.5903 3.5898 -1.5198 H 1 UNL1111111111 0.1445 99 H 4.9282 2.0911 -0.8618 H 1 UNL1111111111 0.1542 100 H 2.8254 2.7127 -2.2988 H 1 UNL1111111111 0.1604 101 H 1.9199 4.1834 -1.9133 H 1 UNL1111111111 0.1501 102 H 3.4844 4.2984 -2.7267 H 1 UNL1111111111 0.1509 103 H 6.0460 4.4573 0.7855 H 1 UNL1111111111 0.1432 104 H 6.7484 2.8395 0.6196 H 1 UNL1111111111 0.1561 105 H 5.2439 3.0596 1.5102 H 1 UNL1111111111 0.1485 @BOND 1 1 18 1 2 1 84 1 3 2 22 1 4 2 85 1 5 3 27 1 6 3 39 1 7 4 29 1 8 4 92 1 9 5 33 1 10 5 93 1 11 6 34 1 12 6 40 1 13 7 39 2 14 8 40 2 15 9 10 1 16 9 11 1 17 9 14 1 18 9 24 1 19 10 12 1 20 10 21 1 21 10 46 1 22 11 15 1 23 11 18 1 24 11 28 1 25 12 13 1 26 12 23 1 27 12 30 1 28 13 19 1 29 13 20 1 30 13 47 1 31 14 19 1 32 14 48 1 33 14 49 1 34 15 16 1 35 15 25 2 36 16 17 1 37 16 26 1 38 16 50 1 39 17 22 1 40 17 27 1 41 17 34 1 42 18 22 1 43 18 51 1 44 19 52 1 45 19 53 1 46 20 29 1 47 20 35 1 48 20 36 1 49 21 25 1 50 21 54 1 51 21 55 1 52 22 56 1 53 23 31 1 54 23 57 1 55 23 58 1 56 24 59 1 57 24 60 1 58 24 61 1 59 25 62 1 60 26 32 1 61 26 63 1 62 26 64 1 63 27 33 1 64 27 65 1 65 28 66 1 66 28 67 1 67 28 68 1 68 29 31 1 69 29 69 1 70 30 70 1 71 30 71 1 72 30 72 1 73 31 73 1 74 31 74 1 75 32 33 1 76 32 37 1 77 32 38 1 78 33 75 1 79 34 76 1 80 34 77 1 81 35 81 1 82 35 82 1 83 35 83 1 84 36 78 1 85 36 79 1 86 36 80 1 87 37 86 1 88 37 87 1 89 37 88 1 90 38 89 1 91 38 90 1 92 38 91 1 93 39 41 1 94 40 42 1 95 41 94 1 96 41 95 1 97 41 96 1 98 42 43 1 99 42 44 1 100 42 97 1 101 43 45 1 102 43 98 1 103 43 99 1 104 44 100 1 105 44 101 1 106 44 102 1 107 45 103 1 108 45 104 1 109 45 105 1