@MOLECULE methyl (2beta,5beta,19e)-17-[(3,4,5-trimethoxybenzoyl)oxy]-1,2-dihydro-2,5-epoxyakuammilan-16-carboxylate 42 43 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -3.4054 -0.5185 2.8012 O.2 1 UNL1 -0.3087 2 O 0.7995 -0.4951 -1.1193 O.3 1 UNL1 -0.4066 3 O -4.7628 2.8573 -0.8760 O.2 1 UNL1 -0.4887 4 O -1.7351 0.8641 -3.1136 O.2 1 UNL1 -0.2786 5 O 0.8291 1.7461 -1.3054 O.2 1 UNL1 -0.4309 6 O 5.0212 -3.2544 -0.0896 O.2 2 UNL2 -0.4407 7 O 6.4655 3.0820 1.1273 O.2 1 UNL1 -0.1469 8 O 7.5917 -0.4397 0.9597 O.2 3 UNL3 -0.4526 9 N -3.6347 1.8054 2.3126 N.2 1 UNL1 -0.2805 10 N -2.1495 -2.2960 1.7436 N.2 1 UNL1 -0.4054 11 C -2.7742 -0.5146 -0.3292 C.3 1 UNL1 0.0992 12 C -2.2156 -1.2146 2.4261 C.2 1 UNL1 0.4848 13 C -1.0888 -0.3372 2.4321 C.2 1 UNL1 -0.0600 14 C -1.5059 0.2610 -0.7154 C.3 1 UNL1 -0.2970 15 C -3.5396 0.0515 0.5878 C.3 1 UNL1 -0.2739 16 C -3.7126 0.4498 1.8509 C.2 1 UNL1 0.3196 17 C -1.2074 1.2124 0.4458 C.3 1 UNL1 0.0101 18 C -0.8232 0.5427 1.5853 C.2 1 UNL1 -0.0533 19 C -3.0133 -1.9355 -0.5358 C.ar 1 UNL1 -0.1128 20 C -2.8468 2.4826 1.6074 C.3 1 UNL1 0.1127 21 C -1.9539 2.4485 0.5251 C.3 1 UNL1 0.0906 22 C -2.8761 -2.7760 0.6756 C.ar 1 UNL1 0.2517 23 C -0.4096 -0.8181 -0.9664 C.3 1 UNL1 0.4711 24 C -1.7580 1.0024 -1.9620 C.2 1 UNL1 0.3116 25 C -3.4265 -2.6382 -1.6320 C.ar 1 UNL1 0.0537 26 C -1.9217 3.4322 -0.4863 C.2 1 UNL1 -0.6688 27 C -3.2382 -4.0836 0.4371 C.ar 1 UNL1 -0.0767 28 C -3.7418 -3.9052 -1.7748 C.ar 1 UNL1 -0.0516 29 C -3.6444 -4.6712 -0.6587 C.ar 1 UNL1 0.0428 30 C -2.8007 4.4000 -0.7382 C.2 1 UNL1 0.5417 31 C 1.4616 0.7453 -1.1400 C.2 1 UNL1 0.6287 32 C -5.4885 2.0769 -1.2889 C.2 1 UNL1 0.4928 33 C 2.8851 0.5342 -0.9666 C.2 1 UNL1 -0.2077 34 C 3.7428 1.3920 -0.3517 C.3 1 UNL1 0.1756 35 C 3.5679 -0.6227 -1.4024 C.2 1 UNL1 0.0307 36 C 4.8712 -0.7460 -1.2149 C.2 1 UNL1 -0.0328 37 C 5.1310 1.3438 -0.0774 C.2 1 UNL1 -0.2209 38 C 5.6405 0.1391 -0.6119 C.2 1 UNL1 0.0167 39 C 4.7430 -4.3592 -0.0678 C.2 2 UNL2 0.4414 40 C 5.8404 2.2657 0.6041 C.1 1 UNL1 0.4116 41 C 8.5452 -0.9872 1.2634 C.2 3 UNL3 0.4549 42 H -1.0459 3.3797 -1.1707 H 1 UNL1 0.2530 @BOND 1 4 24 2 2 24 14 1 3 28 25 ar 4 28 29 ar 5 25 19 ar 6 35 36 1 7 35 33 2 8 5 31 2 9 32 3 2 10 36 38 2 11 42 26 1 12 31 2 1 13 31 33 1 14 2 23 1 15 33 34 1 16 23 14 1 17 30 26 2 18 14 11 1 19 14 17 1 20 29 27 ar 21 38 37 1 22 19 11 1 23 19 22 ar 24 26 21 1 25 34 37 1 26 11 15 1 27 6 39 2 28 37 40 2 29 27 22 ar 30 17 21 1 31 17 18 1 32 21 20 1 33 15 16 1 34 40 7 2 35 22 10 1 36 8 41 2 37 18 13 2 38 20 9 1 39 10 12 2 40 16 9 2 41 16 1 1 42 12 13 1 43 12 1 1