@MOLECULE (1r,2r,5s,10r,12r,13s,14s,16s)-14-hydroxy-8-isopropyl-12,16-dimethoxy-2-methyl-15-oxatetracyclo[11.2.1.0~2,10~.0~5,9~]hexadec-8-ene-5-carboxylic acid 62 65 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.0070 1.7944 0.2424 O.3 1 UNL1111111111 -0.4515 2 O 4.0245 0.0441 -1.2196 O.3 1 UNL1111111111 -0.4110 3 O 2.2334 -2.5436 1.3732 O.3 1 UNL1111111111 -0.4001 4 O 4.0266 1.5963 1.2938 O.3 1 UNL1111111111 -0.5710 5 O -2.9239 3.1665 1.3007 O.3 1 UNL1111111111 -0.5723 6 O -1.6945 1.6079 2.2949 O.2 1 UNL1111111111 -0.5074 7 C 0.3155 0.7831 -1.1060 C.3 1 UNL1111111111 0.0517 8 C -0.2581 0.0102 0.1200 C.3 1 UNL1111111111 -0.1237 9 C 1.8361 1.0437 -0.9562 C.3 1 UNL1111111111 0.0449 10 C -2.4451 1.2805 -0.0266 C.3 1 UNL1111111111 -0.0209 11 C -1.7383 -0.0675 -0.0700 C.2 1 UNL1111111111 -0.0540 12 C -0.3488 2.1865 -1.1334 C.3 1 UNL1111111111 -0.2913 13 C 2.7935 -0.3985 0.7196 C.3 1 UNL1111111111 -0.2738 14 C 2.6949 -0.2318 -0.8055 C.3 1 UNL1111111111 0.0683 15 C 0.3912 -1.3430 0.4187 C.3 1 UNL1111111111 -0.3396 16 C -1.8794 2.1452 -1.1648 C.3 1 UNL1111111111 -0.2699 17 C 1.6521 -1.2430 1.2957 C.3 1 UNL1111111111 0.1219 18 C -3.9507 0.9611 -0.2228 C.3 1 UNL1111111111 -0.2799 19 C -2.5953 -1.0540 -0.3804 C.2 1 UNL1111111111 -0.0361 20 C 0.0595 0.0467 -2.4229 C.3 1 UNL1111111111 -0.4688 21 C 2.7402 1.0664 1.2112 C.3 1 UNL1111111111 0.3637 22 C -4.0174 -0.5559 -0.4899 C.3 1 UNL1111111111 -0.2786 23 C -2.2695 1.9699 1.3033 C.2 1 UNL1111111111 0.6356 24 C -2.3331 -2.5045 -0.6175 C.3 1 UNL1111111111 -0.0739 25 C -3.1026 -3.0309 -1.8387 C.3 1 UNL1111111111 -0.4496 26 C -2.7140 -3.3042 0.6380 C.3 1 UNL1111111111 -0.4450 27 C 4.2458 -0.1390 -2.6036 C.3 1 UNL1111111111 -0.1908 28 C 1.6148 -3.3978 2.3135 C.3 1 UNL1111111111 -0.1936 29 H -0.0603 0.6610 1.0253 H 1 UNL1111111111 0.1869 30 H 2.2139 1.7036 -1.7638 H 1 UNL1111111111 0.1429 31 H -0.0121 2.7615 -0.2434 H 1 UNL1111111111 0.1681 32 H 0.0211 2.7547 -2.0066 H 1 UNL1111111111 0.1407 33 H 3.7717 -0.8655 0.9995 H 1 UNL1111111111 0.2008 34 H 2.3085 -1.1208 -1.3318 H 1 UNL1111111111 0.1424 35 H 0.6219 -1.8975 -0.5087 H 1 UNL1111111111 0.1523 36 H -0.3395 -1.9747 0.9692 H 1 UNL1111111111 0.1589 37 H -2.2884 3.1733 -1.1037 H 1 UNL1111111111 0.1557 38 H -2.2242 1.7368 -2.1352 H 1 UNL1111111111 0.1477 39 H 1.3858 -0.8879 2.3185 H 1 UNL1111111111 0.1311 40 H -4.5467 1.2352 0.6639 H 1 UNL1111111111 0.1525 41 H -4.3784 1.5406 -1.0561 H 1 UNL1111111111 0.1500 42 H 0.5316 -0.9402 -2.4455 H 1 UNL1111111111 0.1428 43 H 0.4268 0.6156 -3.2827 H 1 UNL1111111111 0.1443 44 H -1.0158 -0.1192 -2.5742 H 1 UNL1111111111 0.1604 45 H 2.2799 1.2842 2.1917 H 1 UNL1111111111 0.1534 46 H -4.6701 -1.0694 0.2377 H 1 UNL1111111111 0.1499 47 H -4.4398 -0.7649 -1.4881 H 1 UNL1111111111 0.1472 48 H -1.2444 -2.6637 -0.8305 H 1 UNL1111111111 0.1462 49 H 4.4846 1.5484 0.4248 H 1 UNL1111111111 0.3425 50 H -2.9180 -2.4076 -2.7202 H 1 UNL1111111111 0.1434 51 H -2.7923 -4.0527 -2.0836 H 1 UNL1111111111 0.1443 52 H -4.1828 -3.0539 -1.6634 H 1 UNL1111111111 0.1450 53 H -3.7927 -3.2657 0.8244 H 1 UNL1111111111 0.1464 54 H -2.2187 -2.9049 1.5311 H 1 UNL1111111111 0.1491 55 H -2.4329 -4.3570 0.5364 H 1 UNL1111111111 0.1423 56 H 4.1085 -1.1892 -2.8811 H 1 UNL1111111111 0.1247 57 H 3.6003 0.5118 -3.2004 H 1 UNL1111111111 0.1204 58 H 5.2979 0.1509 -2.7254 H 1 UNL1111111111 0.1481 59 H -2.8349 3.6631 2.1496 H 1 UNL1111111111 0.3526 60 H 1.6670 -2.9762 3.3224 H 1 UNL1111111111 0.1234 61 H 0.5799 -3.6143 2.0328 H 1 UNL1111111111 0.1195 62 H 2.2210 -4.3104 2.2527 H 1 UNL1111111111 0.1408 @BOND 1 1 9 1 2 1 21 1 3 2 14 1 4 2 27 1 5 3 17 1 6 3 28 1 7 4 21 1 8 4 49 1 9 5 23 1 10 5 59 1 11 6 23 2 12 7 8 1 13 7 9 1 14 7 12 1 15 7 20 1 16 8 11 1 17 8 15 1 18 8 29 1 19 9 14 1 20 9 30 1 21 10 11 1 22 10 16 1 23 10 18 1 24 10 23 1 25 11 19 2 26 12 16 1 27 12 31 1 28 12 32 1 29 13 14 1 30 13 17 1 31 13 21 1 32 13 33 1 33 14 34 1 34 15 17 1 35 15 35 1 36 15 36 1 37 16 37 1 38 16 38 1 39 17 39 1 40 18 22 1 41 18 40 1 42 18 41 1 43 19 22 1 44 19 24 1 45 20 42 1 46 20 43 1 47 20 44 1 48 21 45 1 49 22 46 1 50 22 47 1 51 24 25 1 52 24 26 1 53 24 48 1 54 25 50 1 55 25 51 1 56 25 52 1 57 26 53 1 58 26 54 1 59 26 55 1 60 27 56 1 61 27 57 1 62 27 58 1 63 28 60 1 64 28 61 1 65 28 62 1