@MOLECULE (3beta,6alpha,12beta,20r)-20,25-epoxydammarane-3,6,12-triol 86 90 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 0.8946 -1.0926 -0.2730 C.3 1 UNL1 0.0714 2 C -0.4509 -1.4208 0.4571 C.3 1 UNL1 0.0631 3 C 1.3131 0.3403 0.1812 C.3 1 UNL1 -0.1517 4 C -1.5298 -0.4152 -0.0376 C.3 1 UNL1 -0.2040 5 C 2.7404 0.7782 -0.2943 C.3 1 UNL1 0.0808 6 C -2.8555 -1.0349 0.4451 C.3 1 UNL1 -0.1610 7 C 3.7505 -0.2746 0.2631 C.3 1 UNL1 -0.1875 8 C -1.1549 1.0026 0.4019 C.3 1 UNL1 0.1668 9 C 3.3886 -1.6643 -0.2926 C.3 1 UNL1 0.1637 10 C 5.2507 0.0945 0.0868 C.3 1 UNL1 0.0906 11 C -4.1459 -0.5406 -0.2746 C.3 1 UNL1 0.3098 12 C 5.4639 1.5075 0.7040 C.3 1 UNL1 0.1299 13 C 0.7098 -1.2144 -1.7959 C.3 1 UNL1 -0.4661 14 C -0.2970 -1.3797 1.9903 C.3 1 UNL1 -0.4656 15 C 2.8014 0.9681 -1.8121 C.3 1 UNL1 -0.4591 16 C 5.7478 0.0591 -1.3595 C.3 1 UNL1 -0.4489 17 C 6.1346 -0.8633 0.9125 C.3 1 UNL1 -0.4565 18 C -3.9514 -0.3724 -1.7812 C.3 1 UNL1 -0.5076 19 C -5.6608 2.1382 -1.0914 C.3 1 UNL1 -0.5088 20 C -5.3692 2.4795 1.3850 C.3 1 UNL1 -0.4869 21 H -2.9576 1.6750 -0.0286 H 1 UNL1 0.3541 22 H 4.0788 -3.4983 0.0343 H 1 UNL1 0.3045 23 H 7.0128 2.7501 0.6935 H 1 UNL1 0.3052 24 C 0.2311 1.3731 -0.1697 C.3 1 UNL1 -0.3136 25 C 1.9798 -2.0935 0.1540 C.3 1 UNL1 -0.3709 26 C -1.1009 -2.7833 0.1139 C.3 1 UNL1 -0.2925 27 C -2.6247 -2.5575 0.2474 C.3 1 UNL1 -0.2730 28 C 3.0598 2.1378 0.3849 C.3 1 UNL1 -0.2891 29 C 4.5074 2.5723 0.1635 C.3 1 UNL1 -0.3357 30 C -5.3369 -1.4657 0.0461 C.3 1 UNL1 -0.3330 31 C -6.6680 -0.7684 -0.2433 C.3 1 UNL1 -0.2509 32 C -6.7568 0.5306 0.5574 C.3 1 UNL1 -0.3350 33 O -2.0222 1.9576 -0.1780 O.3 1 UNL1 -0.6178 34 O 4.3023 -2.5857 0.2902 O.3 1 UNL1 -0.5683 35 O 6.7986 1.8603 0.3642 O.3 1 UNL1 -0.5656 36 O -4.3330 0.7168 0.3608 O.3 1 UNL1 -0.5050 37 C -5.5510 1.4376 0.2653 C.3 1 UNL1 0.3484 38 H 1.3816 0.3075 1.3021 H 1 UNL1 0.1404 39 H -1.5425 -0.4159 -1.1558 H 1 UNL1 0.1611 40 H -2.9904 -0.8084 1.5295 H 1 UNL1 0.1538 41 H 3.5863 -0.3212 1.3734 H 1 UNL1 0.1497 42 H -1.2086 1.1350 1.5022 H 1 UNL1 0.1136 43 H 0.5011 2.3761 0.2110 H 1 UNL1 0.1506 44 H 0.1354 1.4992 -1.2654 H 1 UNL1 0.1564 45 H 1.9929 -2.2130 1.2557 H 1 UNL1 0.1587 46 H 1.7435 -3.0945 -0.2477 H 1 UNL1 0.1384 47 H 3.5200 -1.7176 -1.3929 H 1 UNL1 0.1145 48 H -0.8477 -3.1079 -0.9081 H 1 UNL1 0.1364 49 H -0.7495 -3.5840 0.7798 H 1 UNL1 0.1360 50 H -3.0367 -3.1253 1.0948 H 1 UNL1 0.1333 51 H -3.1391 -2.9252 -0.6544 H 1 UNL1 0.1341 52 H 2.3825 2.9185 -0.0124 H 1 UNL1 0.1457 53 H 2.8506 2.0741 1.4690 H 1 UNL1 0.1367 54 H 0.2019 -0.3400 -2.2174 H 1 UNL1 0.1544 55 H 1.6671 -1.3111 -2.3170 H 1 UNL1 0.1476 56 H 0.1187 -2.0964 -2.0665 H 1 UNL1 0.1412 57 H 0.0345 -0.4030 2.3565 H 1 UNL1 0.1486 58 H -1.2492 -1.5983 2.4874 H 1 UNL1 0.1498 59 H 0.4230 -2.1263 2.3418 H 1 UNL1 0.1437 60 H 1.8537 1.3484 -2.2097 H 1 UNL1 0.1499 61 H 3.5715 1.6927 -2.1038 H 1 UNL1 0.1476 62 H 3.0359 0.0383 -2.3383 H 1 UNL1 0.1453 63 H 5.4039 1.4531 1.8144 H 1 UNL1 0.1100 64 H 4.6939 3.5429 0.6574 H 1 UNL1 0.1321 65 H 4.7121 2.7454 -0.9109 H 1 UNL1 0.1553 66 H -5.2616 -2.4007 -0.5364 H 1 UNL1 0.1438 67 H -5.2983 -1.7588 1.1129 H 1 UNL1 0.1500 68 H 5.3303 0.8657 -1.9658 H 1 UNL1 0.1420 69 H 6.8401 0.1896 -1.3866 H 1 UNL1 0.1611 70 H 5.5165 -0.8961 -1.8388 H 1 UNL1 0.1391 71 H 6.2987 -1.8111 0.3838 H 1 UNL1 0.1634 72 H 7.1229 -0.4243 1.0939 H 1 UNL1 0.1506 73 H 5.6844 -1.1138 1.8763 H 1 UNL1 0.1416 74 H -3.3606 0.5307 -1.9970 H 1 UNL1 0.1738 75 H -3.4206 -1.2289 -2.2110 H 1 UNL1 0.1544 76 H -4.9011 -0.2744 -2.3143 H 1 UNL1 0.1513 77 H -6.7766 -0.5673 -1.3256 H 1 UNL1 0.1369 78 H -7.5093 -1.4364 0.0210 H 1 UNL1 0.1335 79 H -7.6951 1.0670 0.3315 H 1 UNL1 0.1432 80 H -6.7908 0.2961 1.6391 H 1 UNL1 0.1505 81 H -5.9827 1.4573 -1.8841 H 1 UNL1 0.1512 82 H -6.3782 2.9642 -1.0548 H 1 UNL1 0.1526 83 H -4.6899 2.5568 -1.3901 H 1 UNL1 0.1671 84 H -4.5199 3.1410 1.1688 H 1 UNL1 0.1652 85 H -6.2634 3.0958 1.5023 H 1 UNL1 0.1504 86 H -5.1534 1.9911 2.3425 H 1 UNL1 0.1589 @BOND 1 62 15 1 2 55 13 1 3 76 18 1 4 54 13 1 5 75 18 1 6 60 15 1 7 61 15 1 8 56 13 1 9 74 18 1 10 68 16 1 11 81 19 1 12 70 16 1 13 15 5 1 14 13 1 1 15 18 11 1 16 47 9 1 17 83 19 1 18 69 16 1 19 16 10 1 20 77 31 1 21 44 24 1 22 39 4 1 23 19 82 1 24 19 37 1 25 65 29 1 26 48 26 1 27 51 27 1 28 66 30 1 29 5 3 1 30 5 7 1 31 5 28 1 32 9 25 1 33 9 7 1 34 9 34 1 35 11 30 1 36 11 36 1 37 11 6 1 38 1 25 1 39 1 3 1 40 1 2 1 41 46 25 1 42 31 78 1 43 31 30 1 44 31 32 1 45 33 21 1 46 33 8 1 47 24 3 1 48 24 43 1 49 24 8 1 50 4 8 1 51 4 6 1 52 4 2 1 53 52 28 1 54 22 34 1 55 30 67 1 56 10 7 1 57 10 12 1 58 10 17 1 59 26 27 1 60 26 2 1 61 26 49 1 62 25 45 1 63 29 28 1 64 29 64 1 65 29 12 1 66 3 38 1 67 27 6 1 68 27 50 1 69 7 41 1 70 37 36 1 71 37 32 1 72 37 20 1 73 79 32 1 74 35 23 1 75 35 12 1 76 71 17 1 77 28 53 1 78 8 42 1 79 6 40 1 80 2 14 1 81 32 80 1 82 12 63 1 83 17 72 1 84 17 73 1 85 84 20 1 86 20 85 1 87 20 86 1 88 14 59 1 89 14 57 1 90 14 58 1