@MOLECULE 12-hydroxy-4,8,12-trimethyl-16-methylene-15-oxo-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-2-yl acetate 59 60 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.1165 2.4237 0.5574 O.3 1 UNL1111111111 -0.4383 2 O 0.4485 2.8717 -1.6191 O.3 1 UNL1111111111 -0.5721 3 O -2.3950 -0.9904 -1.1285 O.3 1 UNL1111111111 -0.4587 4 O -3.2791 2.2409 0.7685 O.2 1 UNL1111111111 -0.4624 5 O -4.3049 -1.8206 -0.2794 O.2 1 UNL1111111111 -0.5187 6 C 0.1396 1.7338 0.4841 C.3 1 UNL1111111111 0.0681 7 C -0.9446 -0.5001 0.6876 C.3 1 UNL1111111111 -0.1393 8 C -0.0780 0.3953 -0.2054 C.3 1 UNL1111111111 -0.3394 9 C 1.0285 2.7082 -0.3375 C.3 1 UNL1111111111 0.3086 10 C -1.6079 -1.6373 -0.1260 C.3 1 UNL1111111111 0.1442 11 C 2.4186 2.1261 -0.6463 C.3 1 UNL1111111111 -0.3044 12 C -2.0054 0.3051 1.3764 C.2 1 UNL1111111111 -0.1369 13 C 1.0999 4.0699 0.3543 C.3 1 UNL1111111111 -0.5038 14 C -0.6121 -2.5116 -0.9050 C.3 1 UNL1111111111 -0.3281 15 C 3.1932 1.6648 0.5978 C.3 1 UNL1111111111 -0.2612 16 C -2.2159 1.6868 0.8848 C.2 1 UNL1111111111 0.6081 17 C 0.5420 -2.9169 -0.0410 C.2 1 UNL1111111111 0.0032 18 C -2.7548 -0.1533 2.3806 C.2 1 UNL1111111111 -0.2288 19 C 3.2962 0.1734 0.6669 C.2 1 UNL1111111111 -0.2277 20 C 1.7802 -2.4827 -0.3145 C.2 1 UNL1111111111 -0.1964 21 C 4.1274 -0.5650 -0.0803 C.2 1 UNL1111111111 0.0389 22 C 2.9688 -2.7695 0.5398 C.3 1 UNL1111111111 -0.2622 23 C 4.2334 -2.0606 0.0299 C.3 1 UNL1111111111 -0.2933 24 C 0.2319 -3.8041 1.1170 C.3 1 UNL1111111111 -0.4520 25 C -3.7506 -1.0747 -1.0438 C.2 1 UNL1111111111 0.6426 26 C 5.0478 0.0241 -1.1004 C.3 1 UNL1111111111 -0.4579 27 C -4.3620 -0.1265 -2.0127 C.3 1 UNL1111111111 -0.5122 28 H 0.5144 1.6228 1.5228 H 1 UNL1111111111 0.1363 29 H -0.2863 -0.9787 1.4610 H 1 UNL1111111111 0.1627 30 H -0.5542 0.5537 -1.1977 H 1 UNL1111111111 0.1865 31 H 0.8922 -0.0953 -0.4236 H 1 UNL1111111111 0.1756 32 H -2.2525 -2.2600 0.5359 H 1 UNL1111111111 0.1500 33 H 2.9986 2.8922 -1.1984 H 1 UNL1111111111 0.1548 34 H 2.3087 1.2932 -1.3716 H 1 UNL1111111111 0.1655 35 H 1.6594 4.0277 1.2925 H 1 UNL1111111111 0.1515 36 H 1.5858 4.8070 -0.2971 H 1 UNL1111111111 0.1617 37 H 0.0965 4.4559 0.5838 H 1 UNL1111111111 0.1702 38 H -0.2738 -1.9622 -1.8103 H 1 UNL1111111111 0.1692 39 H -1.1365 -3.4062 -1.3006 H 1 UNL1111111111 0.1619 40 H 2.7266 2.0607 1.5212 H 1 UNL1111111111 0.1411 41 H 4.2075 2.1169 0.5905 H 1 UNL1111111111 0.1426 42 H -0.4882 3.1513 -1.5314 H 1 UNL1111111111 0.3356 43 H -2.6642 -1.1482 2.7936 H 1 UNL1111111111 0.1540 44 H -3.5334 0.4328 2.8568 H 1 UNL1111111111 0.1661 45 H 2.6275 -0.2903 1.3886 H 1 UNL1111111111 0.1479 46 H 1.9830 -1.8641 -1.1891 H 1 UNL1111111111 0.1570 47 H 2.7675 -2.4738 1.5913 H 1 UNL1111111111 0.1470 48 H 3.1538 -3.8645 0.5788 H 1 UNL1111111111 0.1448 49 H 4.5060 -2.4926 -0.9565 H 1 UNL1111111111 0.1494 50 H 5.0850 -2.3038 0.7012 H 1 UNL1111111111 0.1470 51 H 0.4958 -3.3302 2.0733 H 1 UNL1111111111 0.1527 52 H 0.8013 -4.7440 1.0578 H 1 UNL1111111111 0.1562 53 H -0.8290 -4.0815 1.1721 H 1 UNL1111111111 0.1550 54 H 5.9973 -0.5214 -1.1705 H 1 UNL1111111111 0.1481 55 H 5.2990 1.0723 -0.8877 H 1 UNL1111111111 0.1561 56 H 4.5823 0.0034 -2.0976 H 1 UNL1111111111 0.1610 57 H -4.5893 0.8317 -1.5060 H 1 UNL1111111111 0.2019 58 H -5.3088 -0.5212 -2.4106 H 1 UNL1111111111 0.1847 59 H -3.6964 0.1078 -2.8575 H 1 UNL1111111111 0.1861 @BOND 1 1 6 1 2 1 16 1 3 2 9 1 4 2 42 1 5 3 10 1 6 3 25 1 7 4 16 2 8 5 25 2 9 6 8 1 10 6 9 1 11 6 28 1 12 7 8 1 13 7 10 1 14 7 12 1 15 7 29 1 16 8 30 1 17 8 31 1 18 9 11 1 19 9 13 1 20 10 14 1 21 10 32 1 22 11 15 1 23 11 33 1 24 11 34 1 25 12 16 1 26 12 18 2 27 13 35 1 28 13 36 1 29 13 37 1 30 14 17 1 31 14 38 1 32 14 39 1 33 15 19 1 34 15 40 1 35 15 41 1 36 17 20 2 37 17 24 1 38 18 43 1 39 18 44 1 40 19 21 2 41 19 45 1 42 20 22 1 43 20 46 1 44 21 23 1 45 21 26 1 46 22 23 1 47 22 47 1 48 22 48 1 49 23 49 1 50 23 50 1 51 24 51 1 52 24 52 1 53 24 53 1 54 25 27 1 55 26 54 1 56 26 55 1 57 26 56 1 58 27 57 1 59 27 58 1 60 27 59 1