@MOLECULE (3alpha,12beta,14beta)-dammar-24-ene-3,12,20-triol 85 88 0 0 0 SMALL USER_CHARGES @ATOM 1 O -1.1918 -1.5970 -2.5695 O.3 1 UNL111 -0.5833 2 O 6.7647 2.0633 -0.8345 O.3 1 UNL111 -0.5675 3 O -3.5286 -2.0431 1.1856 O.3 1 UNL111 -0.5801 4 C 1.1570 -0.9891 0.8538 C.3 1 UNL111 0.0629 5 C -0.3947 -0.8015 1.0005 C.3 1 UNL111 0.0586 6 C 1.6313 -0.3242 -0.4678 C.3 1 UNL111 -0.1411 7 C 3.1735 -0.1492 -0.6713 C.3 1 UNL111 0.0780 8 C -1.2041 -1.1836 -0.2750 C.3 1 UNL111 -0.1476 9 C 3.7494 0.5219 0.6040 C.3 1 UNL111 -0.1468 10 C 1.8684 -0.2996 2.0389 C.3 1 UNL111 -0.2954 11 C 0.9790 -1.0587 -1.6462 C.3 1 UNL111 -0.3552 12 C -2.5433 -0.3938 -0.1960 C.3 1 UNL111 -0.1395 13 C -0.5245 -0.7926 -1.6006 C.3 1 UNL111 0.1460 14 C -0.8473 0.6594 1.2511 C.3 1 UNL111 -0.2892 15 C 3.3877 -0.2860 1.8568 C.3 1 UNL111 -0.2721 16 C 5.2718 0.8433 0.5486 C.3 1 UNL111 0.0688 17 C -2.3497 0.6594 0.9155 C.3 1 UNL111 -0.2716 18 C 3.3674 0.8266 -1.8772 C.3 1 UNL111 -0.2981 19 C 1.4660 -2.4960 0.8938 C.3 1 UNL111 -0.4613 20 C -0.8947 -1.6548 2.1823 C.3 1 UNL111 -0.4613 21 C 3.8724 -1.4692 -1.0135 C.3 1 UNL111 -0.4626 22 C 5.6684 1.1640 -0.9174 C.3 1 UNL111 0.1363 23 C -3.7728 -1.3078 -0.0054 C.3 1 UNL111 0.3187 24 C 4.5166 1.8204 -1.6841 C.3 1 UNL111 -0.3347 25 C 5.5363 2.0791 1.4292 C.3 1 UNL111 -0.4486 26 C 6.1657 -0.2991 1.0512 C.3 1 UNL111 -0.4650 27 C -5.0798 -0.5175 0.2240 C.3 1 UNL111 -0.3349 28 C -3.9149 -2.2932 -1.1721 C.3 1 UNL111 -0.5126 29 C -5.4711 0.3625 -0.9698 C.3 1 UNL111 -0.2553 30 C -6.7388 1.0898 -0.6544 C.2 1 UNL111 -0.2295 31 C -6.8114 2.2527 0.0055 C.2 1 UNL111 0.0526 32 C -8.1303 2.8975 0.2947 C.3 1 UNL111 -0.4612 33 C -5.6322 3.0146 0.5122 C.3 1 UNL111 -0.4557 34 H 1.2232 0.7232 -0.4415 H 1 UNL111 0.1367 35 H -1.3886 -2.2804 -0.2834 H 1 UNL111 0.1670 36 H 3.2243 1.5122 0.6886 H 1 UNL111 0.1425 37 H 1.6095 -0.8112 2.9841 H 1 UNL111 0.1391 38 H 1.5062 0.7388 2.1530 H 1 UNL111 0.1376 39 H 1.3966 -0.7202 -2.6102 H 1 UNL111 0.1373 40 H 1.1762 -2.1460 -1.6006 H 1 UNL111 0.1618 41 H -2.7132 0.1383 -1.1649 H 1 UNL111 0.1424 42 H -0.7319 0.2702 -1.8679 H 1 UNL111 0.1127 43 H -0.3014 1.3615 0.6013 H 1 UNL111 0.1310 44 H -0.6670 0.9748 2.2887 H 1 UNL111 0.1364 45 H 3.8650 0.1616 2.7488 H 1 UNL111 0.1340 46 H 3.7789 -1.3165 1.7907 H 1 UNL111 0.1421 47 H -2.9408 0.3945 1.8110 H 1 UNL111 0.1505 48 H -2.6918 1.6535 0.5948 H 1 UNL111 0.1229 49 H 3.5356 0.2389 -2.7979 H 1 UNL111 0.1374 50 H 2.4383 1.3982 -2.0611 H 1 UNL111 0.1388 51 H 0.7883 -3.0631 0.2463 H 1 UNL111 0.1476 52 H 1.3636 -2.8995 1.9069 H 1 UNL111 0.1455 53 H 2.4887 -2.7129 0.5729 H 1 UNL111 0.1474 54 H -1.9253 -1.3875 2.4575 H 1 UNL111 0.1730 55 H -0.2789 -1.5230 3.0742 H 1 UNL111 0.1337 56 H -0.9266 -2.7201 1.9343 H 1 UNL111 0.1472 57 H 3.9346 -2.1304 -0.1401 H 1 UNL111 0.1514 58 H 4.8973 -1.3071 -1.3649 H 1 UNL111 0.1436 59 H 3.3486 -2.0167 -1.8035 H 1 UNL111 0.1443 60 H 6.0314 0.2553 -1.4471 H 1 UNL111 0.1137 61 H 4.8677 2.1939 -2.6620 H 1 UNL111 0.1341 62 H 4.1717 2.7176 -1.1346 H 1 UNL111 0.1529 63 H 6.6114 2.3020 1.4744 H 1 UNL111 0.1622 64 H 7.2214 -0.0727 0.8502 H 1 UNL111 0.1548 65 H 5.9320 -1.2525 0.5715 H 1 UNL111 0.1427 66 H 6.0693 -0.4407 2.1325 H 1 UNL111 0.1461 67 H 5.1821 1.9280 2.4521 H 1 UNL111 0.1368 68 H 5.0524 2.9734 1.0240 H 1 UNL111 0.1439 69 H -0.7309 -1.5674 -3.4248 H 1 UNL111 0.3102 70 H -5.9014 -1.2219 0.4513 H 1 UNL111 0.1424 71 H -4.9752 0.1045 1.1343 H 1 UNL111 0.1552 72 H -3.7336 -1.8023 -2.1369 H 1 UNL111 0.1702 73 H -4.9017 -2.7588 -1.2063 H 1 UNL111 0.1433 74 H -3.1631 -3.0910 -1.0995 H 1 UNL111 0.1672 75 H 7.0725 2.3122 -1.7236 H 1 UNL111 0.3067 76 H -4.1995 -2.7366 1.3112 H 1 UNL111 0.3104 77 H -5.5978 -0.2619 -1.8773 H 1 UNL111 0.1431 78 H -4.6546 1.0704 -1.2159 H 1 UNL111 0.1427 79 H -7.6397 0.5834 -0.9936 H 1 UNL111 0.1433 80 H -5.7262 3.2269 1.5864 H 1 UNL111 0.1536 81 H -8.9792 2.3305 -0.1079 H 1 UNL111 0.1502 82 H -4.6840 2.4768 0.3751 H 1 UNL111 0.1577 83 H -8.2926 2.9957 1.3775 H 1 UNL111 0.1548 84 H -5.5356 3.9797 -0.0046 H 1 UNL111 0.1525 85 H -8.1826 3.9065 -0.1366 H 1 UNL111 0.1534 @BOND 1 69 1 1 2 49 18 1 3 61 24 1 4 39 11 1 5 1 13 1 6 72 28 1 7 50 18 1 8 77 29 1 9 18 24 1 10 18 7 1 11 42 13 1 12 59 21 1 13 75 2 1 14 24 62 1 15 24 22 1 16 11 13 1 17 11 40 1 18 11 6 1 19 13 8 1 20 60 22 1 21 58 21 1 22 78 29 1 23 73 28 1 24 28 74 1 25 28 23 1 26 41 12 1 27 21 7 1 28 21 57 1 29 79 30 1 30 29 30 1 31 29 27 1 32 22 2 1 33 22 16 1 34 7 6 1 35 7 9 1 36 30 31 2 37 6 34 1 38 6 4 1 39 35 8 1 40 8 12 1 41 8 5 1 42 12 23 1 43 12 17 1 44 85 32 1 45 81 32 1 46 23 27 1 47 23 3 1 48 84 33 1 49 31 32 1 50 31 33 1 51 27 70 1 52 27 71 1 53 51 19 1 54 32 83 1 55 82 33 1 56 33 80 1 57 16 9 1 58 16 26 1 59 16 25 1 60 65 26 1 61 53 19 1 62 48 17 1 63 43 14 1 64 9 36 1 65 9 15 1 66 64 26 1 67 4 19 1 68 4 5 1 69 4 10 1 70 19 52 1 71 17 14 1 72 17 47 1 73 5 14 1 74 5 20 1 75 68 25 1 76 26 66 1 77 3 76 1 78 14 44 1 79 25 63 1 80 25 67 1 81 46 15 1 82 15 10 1 83 15 45 1 84 56 20 1 85 10 38 1 86 10 37 1 87 20 54 1 88 20 55 1