@MOLECULE (3s,3as,8as)-3-methyl-8-methylidene-5-(propan-2-ylidene)octahydro-6h-3a,6-epoxyazulen-6-ol 39 41 0 0 0 SMALL USER_CHARGES @ATOM 1 O -0.5332 -0.5114 1.0219 O.3 1 UNL111111111 -0.4543 2 O 1.4014 -0.1640 2.1794 O.3 1 UNL111111111 -0.5559 3 C -0.9493 -0.5414 -0.3412 C.3 1 UNL111111111 0.2570 4 C -1.3530 0.9048 -0.7386 C.3 1 UNL111111111 -0.1900 5 C -2.2245 -1.3909 -0.4447 C.3 1 UNL111111111 -0.1129 6 C 0.3121 -1.0286 -1.0959 C.3 1 UNL111111111 -0.3283 7 C -2.7847 1.0218 -0.1795 C.3 1 UNL111111111 -0.2579 8 C 0.7580 0.1162 0.9774 C.3 1 UNL111111111 0.4941 9 C -3.3973 -0.3860 -0.3166 C.3 1 UNL111111111 -0.2791 10 C -0.4383 1.9677 -0.1996 C.2 1 UNL111111111 0.0778 11 C 1.4238 -0.4754 -0.2508 C.2 1 UNL111111111 -0.1927 12 C 0.5177 1.6273 0.9062 C.3 1 UNL111111111 -0.3473 13 C -2.2713 -2.4749 0.6269 C.3 1 UNL111111111 -0.4373 14 C 2.7264 -0.4823 -0.5451 C.2 1 UNL111111111 0.0861 15 C -0.4836 3.2099 -0.6918 C.2 1 UNL111111111 -0.4007 16 C 3.7720 0.1066 0.3373 C.3 1 UNL111111111 -0.4608 17 C 3.2251 -1.0827 -1.8202 C.3 1 UNL111111111 -0.4569 18 H -1.3823 0.9755 -1.8519 H 1 UNL111111111 0.1517 19 H -2.2555 -1.8684 -1.4508 H 1 UNL111111111 0.1351 20 H 0.3470 -0.6667 -2.1347 H 1 UNL111111111 0.1551 21 H 0.3482 -2.1316 -1.1376 H 1 UNL111111111 0.1589 22 H -3.3715 1.7850 -0.7086 H 1 UNL111111111 0.1340 23 H -2.7512 1.3245 0.8836 H 1 UNL111111111 0.1524 24 H -4.0310 -0.6198 0.5538 H 1 UNL111111111 0.1444 25 H -4.0528 -0.4450 -1.1997 H 1 UNL111111111 0.1313 26 H 1.4809 2.1609 0.7910 H 1 UNL111111111 0.1689 27 H 0.0963 1.9645 1.8815 H 1 UNL111111111 0.1850 28 H -2.2675 -2.0362 1.6354 H 1 UNL111111111 0.1641 29 H -1.3948 -3.1304 0.5673 H 1 UNL111111111 0.1457 30 H -3.1682 -3.0943 0.5329 H 1 UNL111111111 0.1384 31 H 1.2848 -1.1091 2.4219 H 1 UNL111111111 0.3393 32 H -1.1540 3.5172 -1.4759 H 1 UNL111111111 0.1482 33 H 0.1430 4.0138 -0.3454 H 1 UNL111111111 0.1502 34 H 4.4905 -0.6577 0.6669 H 1 UNL111111111 0.1578 35 H 4.3388 0.8898 -0.1850 H 1 UNL111111111 0.1547 36 H 3.3575 0.5590 1.2527 H 1 UNL111111111 0.1772 37 H 2.9757 -0.4391 -2.6772 H 1 UNL111111111 0.1592 38 H 4.3135 -1.2208 -1.8253 H 1 UNL111111111 0.1516 39 H 2.7748 -2.0669 -2.0112 H 1 UNL111111111 0.1561 @BOND 1 37 17 1 2 20 6 1 3 39 17 1 4 18 4 1 5 38 17 1 6 17 14 1 7 32 15 1 8 19 5 1 9 25 9 1 10 21 6 1 11 6 3 1 12 6 11 1 13 4 3 1 14 4 10 1 15 4 7 1 16 22 7 1 17 15 33 1 18 15 10 2 19 14 11 2 20 14 16 1 21 5 3 1 22 5 9 1 23 5 13 1 24 3 1 1 25 9 7 1 26 9 24 1 27 11 8 1 28 10 12 1 29 35 16 1 30 7 23 1 31 16 34 1 32 16 36 1 33 30 13 1 34 29 13 1 35 13 28 1 36 26 12 1 37 12 8 1 38 12 27 1 39 8 1 1 40 8 2 1 41 2 31 1