@MOLECULE (1r,2r,5s,8s,9s,10r,11s,12s)-5,12-dihydroxy-11-methyl-6-methylene-16-oxo-15-oxapentacyclo[9.3.2.1~5,8~.0~1,10~.0~2,8~]heptadec-13-ene-9-carboxylate 46 50 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.8054 -1.7533 0.1769 O.3 1 UNL1 -0.4006 2 O 4.0458 -1.2090 1.3601 O.3 1 UNL1 -0.5499 3 O -4.2761 0.6220 -0.7314 O.3 1 UNL1 -0.5323 4 O -1.9409 -2.1101 2.0637 O.2 1 UNL1 -0.4251 5 O 0.0447 2.8503 -1.1493 O.co2 1 UNL1 -0.1289 6 O -0.2578 3.5924 0.9437 O.co2 1 UNL1 -0.4425 7 C 1.1262 0.4549 0.0148 C.3 1 UNL1 0.0659 8 C 0.6928 -0.4550 -1.1779 C.3 1 UNL1 -0.1509 9 C -0.7727 -0.7453 -0.8667 C.3 1 UNL1 0.2243 10 C -1.3416 0.5460 -0.1890 C.3 1 UNL1 -0.1881 11 C -0.1395 1.2080 0.4852 C.3 1 UNL1 -0.2045 12 C 1.7270 -0.4292 1.1249 C.3 1 UNL1 -0.3620 13 C -2.4316 -0.1129 0.6761 C.3 1 UNL1 -0.0979 14 C 3.0604 -0.8110 0.4437 C.3 1 UNL1 0.3039 15 C 2.3214 1.3528 -0.3947 C.3 1 UNL1 -0.3157 16 C 1.5066 -1.7449 -1.3895 C.3 1 UNL1 -0.2583 17 C 2.8203 -1.9075 -0.6032 C.3 1 UNL1 -0.3253 18 C 3.5283 0.4773 -0.2072 C.2 1 UNL1 0.0064 19 C -1.7447 -1.2055 -1.9041 C.2 1 UNL1 -0.1970 20 C -3.5693 -0.5297 -0.3177 C.3 1 UNL1 0.1302 21 C -1.7550 -1.4165 1.1092 C.2 1 UNL1 0.5583 22 C -0.1197 2.7087 0.1338 C.2 1 UNL1 0.4827 23 C -2.9366 0.6923 1.8449 C.3 1 UNL1 -0.4487 24 C -3.0487 -1.1124 -1.6184 C.2 1 UNL1 -0.1418 25 C 4.7812 0.7662 -0.5361 C.2 1 UNL1 -0.3335 26 H 0.7432 0.1493 -2.1174 H 1 UNL1 0.1576 27 H -1.8160 1.2298 -0.9316 H 1 UNL1 0.1928 28 H -0.2169 1.1646 1.6021 H 1 UNL1 0.1975 29 H 1.1049 -1.3006 1.3753 H 1 UNL1 0.1718 30 H 1.9052 0.1240 2.0600 H 1 UNL1 0.1623 31 H 2.3982 2.2450 0.2585 H 1 UNL1 0.1674 32 H 2.2349 1.7301 -1.4276 H 1 UNL1 0.1629 33 H 1.7343 -1.8370 -2.4701 H 1 UNL1 0.1368 34 H 0.8614 -2.6203 -1.1588 H 1 UNL1 0.1594 35 H 2.8242 -2.8944 -0.1000 H 1 UNL1 0.1475 36 H 3.6803 -1.9331 -1.3001 H 1 UNL1 0.1541 37 H -1.3491 -1.6144 -2.8258 H 1 UNL1 0.1676 38 H -4.2753 -1.2339 0.1812 H 1 UNL1 0.1372 39 H -2.1644 0.8226 2.6195 H 1 UNL1 0.1705 40 H -3.2507 1.7016 1.5437 H 1 UNL1 0.1647 41 H -3.7839 0.2016 2.3453 H 1 UNL1 0.1640 42 H -3.8328 -1.4118 -2.3119 H 1 UNL1 0.1678 43 H 3.7490 -1.9839 1.8785 H 1 UNL1 0.3186 44 H 5.6043 0.0911 -0.3461 H 1 UNL1 0.1626 45 H 5.0863 1.6906 -0.9974 H 1 UNL1 0.1480 46 H -4.7537 1.0267 0.0221 H 1 UNL1 0.3204 @BOND 1 37 19 1 2 33 16 1 3 42 24 1 4 26 8 1 5 19 24 2 6 19 9 1 7 24 20 1 8 32 15 1 9 16 8 1 10 16 34 1 11 16 17 1 12 36 17 1 13 8 9 1 14 8 7 1 15 5 22 ar 16 45 25 1 17 27 10 1 18 9 10 1 19 9 1 1 20 3 20 1 21 3 46 1 22 17 35 1 23 17 14 1 24 25 44 1 25 25 18 2 26 15 18 1 27 15 7 1 28 15 31 1 29 20 38 1 30 20 13 1 31 18 14 1 32 10 11 1 33 10 13 1 34 7 11 1 35 7 12 1 36 22 11 1 37 22 6 ar 38 1 21 1 39 14 12 1 40 14 2 1 41 11 28 1 42 13 21 1 43 13 23 1 44 21 4 2 45 12 29 1 46 12 30 1 47 2 43 1 48 40 23 1 49 23 41 1 50 23 39 1