@MOLECULE 4-hydroxy-3,7,8-trimethoxy-17-methyl-7,8-didehydrohasubanan-6-one 51 54 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.2485 -1.3210 -0.3315 O.2 1 UNL1111111111 -0.3055 2 O 3.9290 1.4220 -0.1100 O.2 1 UNL1111111111 -0.2951 3 O 1.7471 3.1911 0.0395 O.2 1 UNL1111111111 -0.4537 4 O -2.3775 1.6340 1.0011 O.3 1 UNL1111111111 -0.4599 5 O -4.9254 0.9393 0.4430 O.3 1 UNL1111111111 -0.3440 6 N 0.8655 -1.8596 1.1352 N.3 1 UNL1111111111 -0.4306 7 C -0.1173 0.1537 0.3115 C.3 1 UNL1111111111 0.0922 8 C 0.9730 -0.9395 -0.0188 C.3 1 UNL1111111111 0.1759 9 C -0.0054 0.2857 1.8534 C.3 1 UNL1111111111 -0.3045 10 C 0.6579 -1.6710 -1.3362 C.3 1 UNL1111111111 -0.2799 11 C 0.5840 -1.0475 2.3472 C.3 1 UNL1111111111 -0.1065 12 C 0.1653 1.4837 -0.3959 C.3 1 UNL1111111111 -0.4163 13 C -1.5077 -0.2874 -0.0824 C.ar 1 UNL1111111111 -0.1045 14 C 2.3633 -0.3160 -0.1893 C.2 1 UNL1111111111 0.1619 15 C -0.6873 -2.3843 -1.2271 C.3 1 UNL1111111111 -0.2683 16 C -1.7781 -1.4507 -0.8117 C.ar 1 UNL1111111111 0.0733 17 C 1.5529 2.0120 -0.1358 C.2 1 UNL1111111111 0.4752 18 C 2.6237 1.0100 -0.1792 C.2 1 UNL1111111111 -0.1444 19 C 1.9624 -2.8140 1.3360 C.3 1 UNL1111111111 -0.2577 20 C -2.6088 0.5017 0.2865 C.ar 1 UNL1111111111 0.2188 21 C -3.0910 -1.8077 -1.1495 C.ar 1 UNL1111111111 -0.2343 22 C -3.9195 0.1444 -0.0590 C.ar 1 UNL1111111111 0.0238 23 C -4.1710 -1.0169 -0.7770 C.ar 1 UNL1111111111 -0.1444 24 C 4.6103 -1.0069 -0.6050 C.3 1 UNL1111111111 -0.1953 25 C 4.2762 2.4336 -1.0543 C.3 1 UNL1111111111 -0.2154 26 C -5.6075 1.6749 -0.5685 C.3 1 UNL1111111111 -0.1988 27 H -0.9818 0.4912 2.3231 H 1 UNL1111111111 0.1712 28 H 0.6422 1.1355 2.1299 H 1 UNL1111111111 0.1553 29 H 1.4566 -2.4000 -1.5739 H 1 UNL1111111111 0.1524 30 H 0.6462 -0.9425 -2.1691 H 1 UNL1111111111 0.1464 31 H 1.4779 -0.8794 2.9784 H 1 UNL1111111111 0.1215 32 H -0.1513 -1.6197 2.9522 H 1 UNL1111111111 0.1464 33 H -0.5798 2.2510 -0.0774 H 1 UNL1111111111 0.2060 34 H 0.0174 1.3783 -1.4903 H 1 UNL1111111111 0.1745 35 H -0.6122 -3.1934 -0.4583 H 1 UNL1111111111 0.1814 36 H -0.9273 -2.8903 -2.1819 H 1 UNL1111111111 0.1425 37 H 1.6273 -3.5679 2.0702 H 1 UNL1111111111 0.1420 38 H 2.9020 -2.3673 1.7008 H 1 UNL1111111111 0.1309 39 H 2.1773 -3.3424 0.3923 H 1 UNL1111111111 0.1472 40 H -3.2690 -2.7245 -1.7072 H 1 UNL1111111111 0.1571 41 H -5.1901 -1.2978 -1.0295 H 1 UNL1111111111 0.1604 42 H -3.2399 2.0745 1.2370 H 1 UNL1111111111 0.3407 43 H 5.0656 -0.5000 0.2540 H 1 UNL1111111111 0.1519 44 H 4.7007 -0.3986 -1.5095 H 1 UNL1111111111 0.1417 45 H 5.0492 -2.0012 -0.7527 H 1 UNL1111111111 0.1406 46 H 3.9501 2.1762 -2.0630 H 1 UNL1111111111 0.1229 47 H 5.3692 2.4558 -0.9858 H 1 UNL1111111111 0.1367 48 H 3.8551 3.3974 -0.7398 H 1 UNL1111111111 0.1597 49 H -6.3374 2.2578 0.0065 H 1 UNL1111111111 0.1475 50 H -6.1175 0.9987 -1.2608 H 1 UNL1111111111 0.1305 51 H -4.9160 2.3306 -1.1055 H 1 UNL1111111111 0.1304 @BOND 1 1 14 1 2 1 24 1 3 2 18 1 4 2 25 1 5 3 17 2 6 4 20 1 7 4 42 1 8 5 22 1 9 5 26 1 10 6 8 1 11 6 11 1 12 6 19 1 13 7 8 1 14 7 9 1 15 7 12 1 16 7 13 1 17 8 10 1 18 8 14 1 19 9 11 1 20 9 27 1 21 9 28 1 22 10 15 1 23 10 29 1 24 10 30 1 25 11 31 1 26 11 32 1 27 12 17 1 28 12 33 1 29 12 34 1 30 13 16 ar 31 13 20 ar 32 14 18 2 33 15 16 1 34 15 35 1 35 15 36 1 36 16 21 ar 37 17 18 1 38 19 37 1 39 19 38 1 40 19 39 1 41 20 22 ar 42 21 23 ar 43 21 40 1 44 22 23 ar 45 23 41 1 46 24 43 1 47 24 44 1 48 24 45 1 49 25 46 1 50 25 47 1 51 25 48 1 52 26 49 1 53 26 50 1 54 26 51 1