@MOLECULE (2beta,5beta,9beta,10alpha,13alpha,15r)-2,15,16-trihydroxypimar-7-en-3-one 56 58 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.1794 2.4564 0.5505 O.3 1 UNL1111111111 -0.5114 2 O 5.0917 0.2680 -0.5088 O.2 1 UNL1111111111 -0.3953 3 O -4.2096 1.0100 1.3447 O.3 1 UNL1111111111 -0.5611 4 O -4.6496 -1.7344 1.7749 O.3 1 UNL1111111111 -0.5408 5 C 1.0423 0.3770 0.2036 C.3 1 UNL1111111111 0.0773 6 C 1.7365 -0.8470 -0.4591 C.3 1 UNL1111111111 -0.1418 7 C -0.2483 0.6666 -0.6394 C.3 1 UNL1111111111 -0.1359 8 C 3.2038 -1.1246 -0.0516 C.3 1 UNL1111111111 -0.0227 9 C 1.9641 1.6077 0.0930 C.3 1 UNL1111111111 -0.3588 10 C -1.0167 -0.5865 -0.9550 C.2 1 UNL1111111111 -0.0081 11 C -1.1429 1.7133 0.0505 C.3 1 UNL1111111111 -0.2744 12 C 0.8458 -2.0873 -0.2658 C.3 1 UNL1111111111 -0.2673 13 C -3.2420 0.6144 -0.8671 C.3 1 UNL1111111111 0.0358 14 C -2.3466 -0.3875 -1.6197 C.3 1 UNL1111111111 -0.3115 15 C -2.4609 1.9323 -0.6981 C.3 1 UNL1111111111 -0.2833 16 C 0.6811 0.1260 1.6713 C.3 1 UNL1111111111 -0.4633 17 C 3.3318 1.3392 0.7207 C.3 1 UNL1111111111 0.0424 18 C -0.5304 -1.8207 -0.7759 C.2 1 UNL1111111111 -0.2082 19 C 4.0030 0.1839 -0.0124 C.2 1 UNL1111111111 0.4130 20 C 3.3861 -1.7943 1.3139 C.3 1 UNL1111111111 -0.4534 21 C 3.8470 -2.0246 -1.1222 C.3 1 UNL1111111111 -0.4477 22 C -3.6044 0.0359 0.5198 C.3 1 UNL1111111111 0.0767 23 C -4.5063 0.8880 -1.6938 C.3 1 UNL1111111111 -0.4701 24 C -4.5362 -1.1869 0.4777 C.3 1 UNL1111111111 -0.0542 25 H 1.7651 -0.6265 -1.5618 H 1 UNL1111111111 0.1472 26 H 0.0797 1.0962 -1.6242 H 1 UNL1111111111 0.1462 27 H 1.4921 2.4841 0.5744 H 1 UNL1111111111 0.1507 28 H 2.1027 1.8942 -0.9692 H 1 UNL1111111111 0.1613 29 H -0.6010 2.6736 0.1326 H 1 UNL1111111111 0.1356 30 H -1.3711 1.4088 1.0914 H 1 UNL1111111111 0.1555 31 H 0.8032 -2.3811 0.8034 H 1 UNL1111111111 0.1556 32 H 1.2864 -2.9569 -0.7946 H 1 UNL1111111111 0.1445 33 H -2.1698 -0.0160 -2.6532 H 1 UNL1111111111 0.1574 34 H -2.8783 -1.3502 -1.7510 H 1 UNL1111111111 0.1467 35 H -3.0775 2.6674 -0.1454 H 1 UNL1111111111 0.1474 36 H -2.2635 2.3797 -1.6898 H 1 UNL1111111111 0.1387 37 H 1.5066 -0.3291 2.2293 H 1 UNL1111111111 0.1480 38 H 0.4152 1.0528 2.1912 H 1 UNL1111111111 0.1464 39 H -0.1775 -0.5542 1.7558 H 1 UNL1111111111 0.1597 40 H 3.2661 1.1200 1.8102 H 1 UNL1111111111 0.1382 41 H -1.1115 -2.7088 -1.0103 H 1 UNL1111111111 0.1451 42 H 2.9125 -1.2309 2.1260 H 1 UNL1111111111 0.1471 43 H 4.4513 -1.8983 1.5622 H 1 UNL1111111111 0.1567 44 H 2.9585 -2.8038 1.3223 H 1 UNL1111111111 0.1549 45 H 4.9132 -2.1868 -0.9099 H 1 UNL1111111111 0.1644 46 H 3.7972 -1.5674 -2.1173 H 1 UNL1111111111 0.1522 47 H 3.3653 -3.0049 -1.1740 H 1 UNL1111111111 0.1432 48 H -2.6793 -0.2121 1.0984 H 1 UNL1111111111 0.1657 49 H -5.0466 -0.0340 -1.9345 H 1 UNL1111111111 0.1493 50 H -5.1980 1.5572 -1.1723 H 1 UNL1111111111 0.1420 51 H -4.2589 1.3686 -2.6487 H 1 UNL1111111111 0.1535 52 H 3.7545 3.2604 0.9121 H 1 UNL1111111111 0.3050 53 H -5.5493 -0.9353 0.1208 H 1 UNL1111111111 0.1209 54 H -4.1212 -2.0175 -0.1201 H 1 UNL1111111111 0.1460 55 H -4.9822 1.4175 0.9081 H 1 UNL1111111111 0.3130 56 H -4.7674 -1.0087 2.4291 H 1 UNL1111111111 0.3263 @BOND 1 1 17 1 2 1 52 1 3 2 19 2 4 3 22 1 5 3 55 1 6 4 24 1 7 4 56 1 8 5 6 1 9 5 7 1 10 5 9 1 11 5 16 1 12 6 8 1 13 6 12 1 14 6 25 1 15 7 10 1 16 7 11 1 17 7 26 1 18 8 19 1 19 8 20 1 20 8 21 1 21 9 17 1 22 9 27 1 23 9 28 1 24 10 14 1 25 10 18 2 26 11 15 1 27 11 29 1 28 11 30 1 29 12 18 1 30 12 31 1 31 12 32 1 32 13 14 1 33 13 15 1 34 13 22 1 35 13 23 1 36 14 33 1 37 14 34 1 38 15 35 1 39 15 36 1 40 16 37 1 41 16 38 1 42 16 39 1 43 17 19 1 44 17 40 1 45 18 41 1 46 20 42 1 47 20 43 1 48 20 44 1 49 21 45 1 50 21 46 1 51 21 47 1 52 22 24 1 53 22 48 1 54 23 49 1 55 23 50 1 56 23 51 1 57 24 53 1 58 24 54 1