@MOLECULE 2-(anilinomethyl)-6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydro-1h-imidazo[1,2-a]pyridin-4-ium 22 22 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 4.2463 1.8604 -0.2414 O.2 1 UNL1 -0.1836 2 C 3.1847 1.5559 0.0934 C.1 1 UNL1 0.6197 3 C 1.9181 1.2280 0.3995 C.2 1 UNL1 -0.4453 4 C 1.3808 -0.1146 0.5307 C.3 1 UNL1 0.1435 5 O 4.5553 -0.7795 -1.3578 O.2 1 UNL1 -0.4487 6 C 1.6291 -1.0891 1.3702 C.3 1 UNL1 0.0641 7 O 0.2618 -0.3294 -0.3242 O.3 1 UNL1 -0.2698 8 O -1.6779 -3.3597 -1.2393 O.2 1 UNL1 -0.2582 9 N -5.6676 0.3140 -0.2575 N.1 1 UNL1 -0.1996 10 C -4.5429 0.5709 -0.1709 C.1 1 UNL1 0.1389 11 C 4.4079 0.0644 -2.1145 C.2 1 UNL1 0.4463 12 N 1.5037 -2.2484 1.9237 N.1 1 UNL1 -0.4487 13 C 1.6008 -3.3627 2.3703 C.1 1 UNL1 0.4253 14 C -1.9023 -2.2500 -0.9638 C.1 1 UNL1 0.5929 15 N -2.4220 -1.1375 -0.8031 N.2 1 UNL1 -0.4918 16 C -2.0814 0.0920 -0.2918 C.ar 1 UNL1 0.1739 17 C -0.7537 0.5380 -0.0451 C.ar 1 UNL1 0.1051 18 C -0.4124 1.8512 0.4348 C.ar 1 UNL1 -0.1294 19 C -1.5581 2.5586 0.6724 C.ar 1 UNL1 0.0453 20 C -2.7808 2.1754 0.4886 C.ar 1 UNL1 -0.0516 21 C -3.1952 0.9704 -0.0062 C.ar 1 UNL1 0.0282 22 C 0.9477 2.2681 0.4387 C.3 1 UNL1 0.1436 @BOND 1 11 5 2 2 8 14 2 3 14 15 2 4 15 16 1 5 7 17 1 6 7 4 1 7 16 17 ar 8 16 21 ar 9 9 10 3 10 1 2 2 11 10 21 1 12 17 18 ar 13 21 20 ar 14 2 3 2 15 3 22 1 16 3 4 1 17 18 22 1 18 18 19 ar 19 20 19 ar 20 4 6 1 21 6 12 1 22 12 13 3