@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 0.0266 3.0911 -0.1799 O.3 1 UNL1111111111 -0.3824 2 O 2.8863 3.2278 -0.5927 O.3 1 UNL1111111111 -0.5512 3 O -3.0912 -0.7708 -0.1184 O.3 1 UNL1111111111 -0.4617 4 O -2.0123 3.8561 -0.2985 O.2 1 UNL1111111111 -0.4483 5 O -4.3566 -1.1076 1.7081 O.2 1 UNL1111111111 -0.5090 6 C 0.8807 1.9480 -0.2529 C.3 1 UNL1111111111 0.0598 7 C -1.0423 0.3617 -0.2615 C.3 1 UNL1111111111 -0.1361 8 C 0.2161 0.7998 0.5021 C.3 1 UNL1111111111 -0.3475 9 C 2.2248 2.4311 0.3701 C.3 1 UNL1111111111 0.3075 10 C -1.9670 -0.4198 0.6991 C.3 1 UNL1111111111 0.1535 11 C 3.1381 1.2610 0.7831 C.3 1 UNL1111111111 -0.3412 12 C -1.7493 1.5447 -0.8485 C.2 1 UNL1111111111 -0.1388 13 C 1.9909 3.3852 1.5393 C.3 1 UNL1111111111 -0.4649 14 C -1.3296 -1.7020 1.2554 C.3 1 UNL1111111111 -0.3455 15 C 3.4482 0.2818 -0.3591 C.3 1 UNL1111111111 -0.2663 16 C -1.3001 2.8930 -0.4246 C.2 1 UNL1111111111 0.5803 17 C -0.6193 -2.5256 0.2181 C.2 1 UNL1111111111 0.0316 18 C -2.7362 1.4482 -1.7423 C.2 1 UNL1111111111 -0.2195 19 C 4.0313 -0.9783 0.1934 C.2 1 UNL1111111111 -0.2317 20 C 0.7172 -2.6178 0.2280 C.2 1 UNL1111111111 -0.2208 21 C 3.7143 -2.2231 -0.1866 C.2 1 UNL1111111111 0.0374 22 C 1.5445 -3.3992 -0.7371 C.3 1 UNL1111111111 -0.2578 23 C 2.7253 -2.5596 -1.2612 C.3 1 UNL1111111111 -0.2828 24 C -1.5070 -3.2240 -0.7539 C.3 1 UNL1111111111 -0.4574 25 C -4.2540 -1.0809 0.5097 C.2 1 UNL1111111111 0.6356 26 C 4.3756 -3.3997 0.4600 C.3 1 UNL1111111111 -0.4604 27 C -5.3105 -1.3601 -0.5030 C.3 1 UNL1111111111 -0.5130 28 H 1.0193 1.7145 -1.3314 H 1 UNL1111111111 0.1323 29 H -0.7439 -0.3294 -1.0958 H 1 UNL1111111111 0.1722 30 H -0.0340 1.1277 1.5309 H 1 UNL1111111111 0.1661 31 H 0.9052 -0.0608 0.6152 H 1 UNL1111111111 0.1745 32 H -2.3304 0.2316 1.5291 H 1 UNL1111111111 0.1490 33 H 2.6910 0.7219 1.6397 H 1 UNL1111111111 0.1552 34 H 4.0888 1.6827 1.1695 H 1 UNL1111111111 0.1597 35 H 1.3694 2.9353 2.3175 H 1 UNL1111111111 0.1517 36 H 2.9371 3.7150 1.9822 H 1 UNL1111111111 0.1539 37 H 1.4761 4.2975 1.1893 H 1 UNL1111111111 0.1870 38 H -2.1255 -2.3141 1.7380 H 1 UNL1111111111 0.1759 39 H -0.6461 -1.4328 2.0874 H 1 UNL1111111111 0.1590 40 H 4.1736 0.7381 -1.0665 H 1 UNL1111111111 0.1451 41 H 2.5384 0.0741 -0.9565 H 1 UNL1111111111 0.1436 42 H 3.1857 2.7012 -1.3562 H 1 UNL1111111111 0.3089 43 H -3.1101 0.5052 -2.1177 H 1 UNL1111111111 0.1557 44 H -3.2482 2.3102 -2.1549 H 1 UNL1111111111 0.1618 45 H 4.7828 -0.8127 0.9658 H 1 UNL1111111111 0.1490 46 H 1.3117 -2.1065 0.9881 H 1 UNL1111111111 0.1537 47 H 1.9181 -4.3204 -0.2425 H 1 UNL1111111111 0.1482 48 H 0.9469 -3.7549 -1.6008 H 1 UNL1111111111 0.1401 49 H 2.3275 -1.6464 -1.7487 H 1 UNL1111111111 0.1479 50 H 3.2422 -3.1163 -2.0711 H 1 UNL1111111111 0.1457 51 H -2.1801 -2.5152 -1.2614 H 1 UNL1111111111 0.1677 52 H -2.1420 -3.9636 -0.2451 H 1 UNL1111111111 0.1561 53 H -0.9573 -3.7594 -1.5381 H 1 UNL1111111111 0.1484 54 H 4.6338 -4.1784 -0.2701 H 1 UNL1111111111 0.1539 55 H 3.7091 -3.8591 1.2054 H 1 UNL1111111111 0.1596 56 H 5.3030 -3.1303 0.9818 H 1 UNL1111111111 0.1524 57 H -4.9051 -1.5109 -1.5141 H 1 UNL1111111111 0.1800 58 H -6.0242 -0.5206 -0.5518 H 1 UNL1111111111 0.1908 59 H -5.8853 -2.2584 -0.2268 H 1 UNL1111111111 0.1854 @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