@MOLECULE n-{[(1r,2s,10r,12r,13s)-12-cyano-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.0~2,11~.0~4,9~.0~15,20~]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl}-2-hydroxypropanamide 41 47 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -3.0715 -2.6553 0.1463 O.2 1 UNL1 -0.3008 2 O -5.3952 2.1465 -0.7088 O.2 1 UNL1 -0.4241 3 O -5.1778 -2.6571 -0.5448 O.2 1 UNL1 -0.3955 4 O 4.3828 0.5385 -1.5585 O.3 1 UNL1 -0.3044 5 O 0.6947 -3.2654 -0.4469 O.2 1 UNL1 -0.4253 6 O 4.9732 -1.5802 -1.8045 O.2 1 UNL1 -0.4013 7 O 4.0961 -1.9204 1.9797 O.2 2 UNL2 -0.2576 8 O 2.1912 0.5969 3.8423 O.2 2 UNL2 -0.1959 9 N 0.3905 1.8870 -0.1317 N.pl3 1 UNL1 0.2533 10 N -1.4061 -0.4164 2.1215 N.1 1 UNL1 -0.5916 11 N 3.4370 3.3037 -1.1295 N.1 1 UNL1 -0.1605 12 N 0.8148 5.4114 -0.4894 N.1 1 UNL1 -0.2000 13 C -0.3249 0.8013 0.2260 C.2 1 UNL1 -0.2915 14 C -1.3554 -0.1556 0.7476 C.3 1 UNL1 0.4009 15 C -1.6226 2.9096 -0.0647 C.2 1 UNL1 -0.0252 16 C -0.2353 3.0966 -0.1653 C.3 1 UNL1 -0.0588 17 C 1.6710 1.5135 -0.5808 C.3 1 UNL1 -0.0692 18 C -0.0582 -0.5349 0.0413 C.2 1 UNL1 0.1036 19 C -2.6177 2.1969 -0.0659 C.1 1 UNL1 -0.0286 20 C -2.7398 -0.1408 0.1674 C.3 1 UNL1 0.0308 21 C -3.3978 1.0381 -0.1094 C.2 1 UNL1 -0.0953 22 C 2.0176 0.1542 -0.7438 C.2 1 UNL1 0.1960 23 C 1.1367 -0.9578 -0.4627 C.2 1 UNL1 -0.2236 24 C -1.4729 -0.6625 3.2802 C.1 1 UNL1 0.3953 25 C 2.6248 2.5176 -0.8811 C.1 1 UNL1 0.1028 26 C -3.4726 -1.3315 -0.0228 C.2 1 UNL1 -0.0513 27 C 0.3758 4.3482 -0.3522 C.1 1 UNL1 0.1271 28 C -4.8205 1.1009 -0.5290 C.2 1 UNL1 0.5369 29 C 3.2942 -0.2598 -1.1996 C.3 1 UNL1 -0.1139 30 C 1.4834 -2.3755 -0.6511 C.2 1 UNL1 0.5541 31 C -4.7794 -1.3407 -0.4486 C.2 1 UNL1 0.2307 32 C -5.5477 -0.1891 -0.7212 C.2 1 UNL1 -0.6871 33 C 2.8751 -2.7011 -1.0884 C.2 1 UNL1 -0.7032 34 C 3.6743 -1.5719 -1.3564 C.2 1 UNL1 0.2974 35 C -6.8309 -0.1737 -1.1182 C.2 1 UNL1 0.6623 36 C 3.2563 -3.9873 -1.1705 C.3 1 UNL1 0.6757 37 C 3.4709 -1.0142 2.3458 C.1 2 UNL2 0.5618 38 C 2.7581 0.0139 2.6595 C.2 2 UNL2 -0.5952 39 C -4.1090 -3.4425 -0.1767 C.3 1 UNL1 0.4840 40 C 5.3886 -0.2669 -1.9206 C.3 1 UNL1 0.5008 41 C 1.9961 1.2546 2.7236 C.3 2 UNL2 0.4862 @BOND 1 40 6 1 2 40 4 1 3 6 34 1 4 4 29 1 5 34 29 1 6 34 33 2 7 29 22 1 8 36 33 1 9 11 25 3 10 35 32 2 11 33 30 1 12 25 17 1 13 22 17 1 14 22 23 2 15 32 28 1 16 32 31 1 17 2 28 2 18 30 23 1 19 30 5 2 20 17 9 1 21 3 31 1 22 3 39 1 23 28 21 1 24 12 27 3 25 23 18 1 26 31 26 2 27 27 16 1 28 39 1 1 29 16 9 1 30 16 15 1 31 9 13 1 32 21 19 2 33 21 20 1 34 19 15 2 35 26 1 1 36 26 20 1 37 18 13 2 38 18 14 1 39 20 14 1 40 13 14 1 41 14 10 1 42 7 37 2 43 10 24 3 44 37 38 2 45 38 41 1 46 38 8 1 47 41 8 1