@MOLECULE (1s,2s,5s,8r)-9-isopropylidene-2,6-dimethyl-11-oxatricyclo[6.2.1.0~1,5~]undec-6-en-8-ol 39 41 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.4375 0.4626 1.0556 O.3 1 UNL1111111111 -0.4520 2 O 1.4680 -0.2067 2.1342 O.3 1 UNL1111111111 -0.5410 3 C -0.8823 0.6234 -0.2895 C.3 1 UNL1111111111 0.2551 4 C -1.4064 -0.7645 -0.7760 C.3 1 UNL1111111111 -0.1859 5 C -2.0775 1.5871 -0.3115 C.3 1 UNL1111111111 -0.1131 6 C 0.3995 1.0731 -1.0391 C.3 1 UNL1111111111 -0.3294 7 C -2.8736 -0.7700 -0.3095 C.3 1 UNL1111111111 -0.2623 8 C -3.3413 0.6948 -0.3749 C.3 1 UNL1111111111 -0.2793 9 C 0.8004 -0.2714 0.9179 C.3 1 UNL1111111111 0.4911 10 C -0.6115 -1.9050 -0.2006 C.2 1 UNL1111111111 0.0639 11 C 1.4949 0.4197 -0.2454 C.2 1 UNL1111111111 -0.1857 12 C 0.4421 -1.6928 0.6001 C.2 1 UNL1111111111 -0.2733 13 C -2.0803 2.5030 0.9084 C.3 1 UNL1111111111 -0.4364 14 C 2.7991 0.4256 -0.5306 C.2 1 UNL1111111111 0.0816 15 C -1.0551 -3.2725 -0.5922 C.3 1 UNL1111111111 -0.4548 16 C 3.8222 -0.2709 0.2981 C.3 1 UNL1111111111 -0.4577 17 C 3.3224 1.1374 -1.7372 C.3 1 UNL1111111111 -0.4558 18 H -1.3605 -0.8056 -1.8875 H 1 UNL1111111111 0.1484 19 H -2.0214 2.2091 -1.2348 H 1 UNL1111111111 0.1347 20 H 0.4969 2.1730 -1.0259 H 1 UNL1111111111 0.1586 21 H 0.4001 0.7637 -2.0953 H 1 UNL1111111111 0.1531 22 H -2.9379 -1.1455 0.7294 H 1 UNL1111111111 0.1529 23 H -3.4989 -1.4300 -0.9265 H 1 UNL1111111111 0.1309 24 H -3.9005 0.8866 -1.3046 H 1 UNL1111111111 0.1308 25 H -4.0340 0.9208 0.4517 H 1 UNL1111111111 0.1440 26 H 1.0512 -2.4628 1.0503 H 1 UNL1111111111 0.1725 27 H -1.1452 3.0712 0.9793 H 1 UNL1111111111 0.1481 28 H -2.9117 3.2132 0.8766 H 1 UNL1111111111 0.1375 29 H -2.1645 1.9228 1.8389 H 1 UNL1111111111 0.1641 30 H -1.0557 -3.3965 -1.6842 H 1 UNL1111111111 0.1553 31 H -2.0774 -3.4742 -0.2393 H 1 UNL1111111111 0.1597 32 H -0.4103 -4.0588 -0.1758 H 1 UNL1111111111 0.1570 33 H 1.3910 0.6955 2.5195 H 1 UNL1111111111 0.3372 34 H 4.4454 -0.9390 -0.3113 H 1 UNL1111111111 0.1522 35 H 4.4898 0.4496 0.7919 H 1 UNL1111111111 0.1570 36 H 3.3766 -0.8856 1.0977 H 1 UNL1111111111 0.1783 37 H 4.4143 1.2433 -1.7238 H 1 UNL1111111111 0.1507 38 H 3.0601 0.5922 -2.6559 H 1 UNL1111111111 0.1572 39 H 2.9014 2.1489 -1.8277 H 1 UNL1111111111 0.1550 @BOND 1 1 3 1 2 1 9 1 3 2 9 1 4 2 33 1 5 3 4 1 6 3 5 1 7 3 6 1 8 4 7 1 9 4 10 1 10 4 18 1 11 5 8 1 12 5 13 1 13 5 19 1 14 6 11 1 15 6 20 1 16 6 21 1 17 7 8 1 18 7 22 1 19 7 23 1 20 8 24 1 21 8 25 1 22 9 11 1 23 9 12 1 24 10 12 2 25 10 15 1 26 11 14 2 27 12 26 1 28 13 27 1 29 13 28 1 30 13 29 1 31 14 16 1 32 14 17 1 33 15 30 1 34 15 31 1 35 15 32 1 36 16 34 1 37 16 35 1 38 16 36 1 39 17 37 1 40 17 38 1 41 17 39 1