@MOLECULE 1-(4-{[(3s)-3-amino-5-(n-methylcarbamimidamido)pentanoyl]amino}-2,3,4-trideoxy-beta-d-erythro-hex-2-enopyranuronosyl)-4-hydroxy-2(1h)-pyrimidinone 30 26 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.7513 -2.6743 0.4986 O.2 1 UNL1 -0.3713 2 C 3.0895 -1.5833 0.0963 C.1 1 UNL1 0.6101 3 C 4.3966 -1.1955 -0.2366 C.1 1 UNL1 -0.0319 4 C 5.6685 -0.8296 -0.4628 C.2 1 UNL1 0.1549 5 C 6.3906 -0.1869 0.5652 C.1 1 UNL1 -0.1952 6 C 7.0109 0.3789 1.4483 C.1 1 UNL1 0.2361 7 N 7.6744 0.9967 2.3920 N.1 1 UNL1 -0.4916 8 C 6.8165 2.6770 -1.8269 C.1 1 UNL1 0.1278 9 N 6.5264 2.8860 -0.6424 N.1 1 UNL1 -0.0853 10 N 7.1118 2.4692 -3.0112 N.pl3 1 UNL1 -0.0431 11 C 8.2745 1.5851 3.2419 C.1 1 UNL1 0.4365 12 N 6.2612 -1.0598 -1.6487 N.pl3 1 UNL1 -0.1100 13 N 2.1281 -0.5673 -0.1124 N.am 1 UNL1 -0.4197 14 C 0.9711 -0.3215 0.1896 C.1 1 UNL1 0.3439 15 C -0.2353 0.0863 0.4179 C.1 1 UNL1 -0.1583 16 C -1.4334 0.4444 0.6388 C.1 1 UNL1 -0.0418 17 C -4.1680 -2.8451 0.6714 C.2 2 UNL2 0.4981 18 C -1.1811 -2.7818 -1.3413 C.1 3 UNL3 0.6654 19 O -0.2459 -2.2166 -1.7517 O.2 3 UNL3 -0.3166 20 O -2.1182 -3.3443 -0.9291 O.2 3 UNL3 -0.3477 21 O -4.0049 -1.7231 0.5346 O.2 2 UNL2 -0.4989 22 C -2.6645 0.7598 0.8540 C.1 1 UNL1 0.2185 23 N -3.7567 1.1980 1.1998 N.pl3 1 UNL1 -0.2136 24 C -5.0397 1.0631 1.0324 C.1 1 UNL1 0.2426 25 C -6.2602 1.0398 0.9527 C.1 1 UNL1 -0.2858 26 C -7.6796 0.9776 0.8992 C.2 1 UNL1 0.7032 27 O -8.4042 0.6198 1.7880 O.2 1 UNL1 -0.3468 28 N -8.2657 1.3664 -0.3228 N.am 1 UNL1 -0.6009 29 C -7.9731 1.7805 -1.4394 C.1 1 UNL1 0.6142 30 O -7.9471 2.1694 -2.5416 O.2 1 UNL1 -0.2929 @BOND 1 10 8 1 2 30 29 2 3 8 9 3 4 19 18 2 5 12 4 1 6 29 28 2 7 18 20 2 8 4 3 2 9 4 5 1 10 28 26 1 11 3 2 2 12 13 2 am 13 13 14 1 14 2 1 2 15 14 15 3 16 15 16 1 17 21 17 2 18 5 6 3 19 16 22 3 20 22 23 1 21 26 25 1 22 26 27 2 23 25 24 3 24 24 23 1 25 6 7 1 26 7 11 3