@MOLECULE 6,7,8-trihydroxy-2-[hydroxy(methoxy)methyl]-5-(hydroxymethyl)-5,6,7,8-tetrahydro-1h-imidazo[1,2-a]pyridin-4-ium 18 18 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -1.1851 0.7194 1.1985 C.2 1 UNL1 0.2713 2 C -4.3557 2.7395 0.4559 C.1 1 UNL1 0.3315 3 O 4.1574 1.7501 0.9684 O.3 1 UNL1 0.0152 4 C 3.7223 0.7123 0.2751 C.3 1 UNL1 0.5625 5 O 4.7683 1.2334 -0.3436 O.3 1 UNL1 0.0040 6 C 2.8206 -0.2575 0.2465 C.1 1 UNL1 -0.4948 7 C 0.7316 -2.0051 0.0871 C.2 1 UNL1 0.4497 8 N -3.4869 0.4078 0.1022 N.pl3 1 UNL1 0.0386 9 O -0.1439 -0.0247 1.1130 O.2 1 UNL1 -0.2319 10 C 1.9224 -1.1112 0.2201 C.1 1 UNL1 0.4493 11 C -0.3739 -1.2495 0.4207 C.3 1 UNL1 -0.3920 12 O 0.8942 -3.1203 -0.3532 O.2 1 UNL1 -0.4202 13 N -3.8696 1.6631 0.3422 N.1 1 UNL1 -0.4462 14 C -2.3243 0.0255 0.4878 C.2 1 UNL1 -0.2576 15 C -1.7759 -1.3661 0.1154 C.2 1 UNL1 0.4771 16 O -2.4185 -2.2617 -0.3492 O.2 1 UNL1 -0.3566 17 C -0.6411 1.1230 -2.7059 C.2 1 UNL1 0.4878 18 O 0.2781 1.1130 -2.0260 O.2 1 UNL1 -0.4878 @BOND 1 17 18 2 2 12 7 2 3 16 15 2 4 5 4 1 5 5 3 1 6 7 10 1 7 7 11 1 8 8 13 1 9 8 14 1 10 15 11 1 11 15 14 1 12 10 6 3 13 6 4 1 14 4 3 1 15 13 2 3 16 11 9 1 17 14 1 2 18 9 1 1