@MOLECULE methyl (2alpha,19e)-10-hydroxy-1-methyl-1,2-dihydro-2,17-epoxyakuammilan-16-carboxylate 28 35 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -0.1193 -1.5729 -0.4651 C.3 1 UNL1 0.2842 2 C -0.6865 0.6739 -0.5903 C.3 1 UNL1 -0.3281 3 C 0.1654 -0.1386 0.4311 C.3 1 UNL1 0.0475 4 N 1.0270 -2.4088 -0.1145 N.3 1 UNL1 -0.3855 5 C -1.6269 -1.6586 -0.3324 C.3 1 UNL1 -0.3161 6 C -2.0031 -0.1167 -0.6657 C.3 1 UNL1 -0.3632 7 C 1.6341 -0.1042 0.3546 C.2 1 UNL1 0.1056 8 C 2.0957 -1.4491 0.1554 C.3 1 UNL1 -0.1632 9 N -2.3293 -1.9399 0.9879 N.pl3 1 UNL1 -0.3306 10 O 0.1450 -1.0804 -1.8070 O.3 1 UNL1 -0.3907 11 C -3.1996 0.1566 0.1783 C.3 1 UNL1 -0.0353 12 C -2.3510 -1.2446 -1.6334 C.3 1 UNL1 0.5712 13 C -0.6326 2.1394 -0.2991 C.2 1 UNL1 0.5349 14 C -0.0324 0.2092 -1.9595 C.3 1 UNL1 0.5083 15 C -3.4898 -1.0591 1.0881 C.3 1 UNL1 0.4725 16 C -0.4919 -0.5030 1.6453 C.2 1 UNL1 -0.1007 17 C 3.4715 -1.4620 0.0548 C.2 1 UNL1 -0.1038 18 C -1.4140 -1.3002 1.8485 C.2 1 UNL1 0.0421 19 C 2.3956 1.0359 0.3453 C.2 1 UNL1 -0.4773 20 C -3.8652 1.2724 0.2404 C.3 1 UNL1 -0.5188 21 O -1.5729 2.8732 -0.3703 O.2 1 UNL1 -0.3851 22 C 1.1995 -3.6772 -0.0349 C.3 1 UNL1 0.7402 23 C 3.8997 0.9816 0.2632 C.2 1 UNL1 0.5464 24 C 4.1582 -0.4227 0.1334 C.2 1 UNL1 -0.1175 25 O 0.5994 2.6827 0.0840 O.3 1 UNL1 -0.3501 26 O 4.6463 1.9211 0.2751 O.2 1 UNL1 -0.4169 27 C -4.4704 2.4279 0.2835 C.3 1 UNL1 0.4794 28 C 1.7965 2.3625 0.3618 C.3 1 UNL1 0.4506 @BOND 1 14 10 1 2 14 2 1 3 10 1 1 4 12 6 1 5 12 5 1 6 6 2 1 7 6 5 1 8 6 11 1 9 2 13 1 10 2 3 1 11 1 5 1 12 1 4 1 13 1 3 1 14 21 13 2 15 5 9 1 16 13 25 1 17 4 22 1 18 4 8 1 19 17 24 2 20 17 8 1 21 25 28 1 22 24 23 1 23 8 7 1 24 11 20 1 25 11 15 1 26 20 27 1 27 23 26 2 28 23 19 1 29 19 7 2 30 19 28 1 31 7 3 1 32 3 16 1 33 9 15 1 34 9 18 1 35 16 18 2