@MOLECULE 1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2h)-yl)pentitol 26 25 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.6246 -4.7932 -0.0515 O.2 1 UNL1 -0.3810 2 C -0.9381 -3.7989 -0.0689 C.2 1 UNL1 0.4387 3 C -1.3974 -2.4236 -0.2212 C.2 1 UNL1 -0.1415 4 C -0.4759 -1.3364 -0.2179 C.2 1 UNL1 0.0485 5 C 0.9076 -1.3282 -0.0555 C.2 1 UNL1 0.0612 6 C 2.7403 -3.0140 0.2043 C.3 1 UNL1 0.5892 7 C 1.6241 -0.1044 -0.0251 C.2 1 UNL1 -0.1414 8 C 2.9685 0.0139 0.1419 C.3 1 UNL1 0.1978 9 N 4.1638 0.0790 0.2343 N.am 1 UNL1 -0.2762 10 O 6.4660 3.0130 -1.2677 O.3 2 HOH2 0.0000 11 C 0.8473 1.0836 -0.2096 C.2 1 UNL1 0.1913 12 N -1.5407 -0.3718 -0.4067 N.pl3 1 UNL1 -0.3890 13 C -2.4911 -1.4929 -0.3956 C.2 1 UNL1 -0.1040 14 C -1.5794 0.9755 -0.5104 C.3 1 UNL1 0.4619 15 O -0.6375 4.5380 -1.3397 O.2 1 UNL1 -0.3394 16 C -3.8168 -1.5052 -0.4717 C.1 1 UNL1 0.4671 17 O -4.9670 -1.5443 -0.5446 O.2 1 UNL1 -0.1281 18 C -1.1152 4.2103 -0.3251 C.1 1 UNL1 0.6824 19 O -1.6131 3.9428 0.6982 O.2 1 UNL1 -0.3449 20 C -4.9363 2.2301 1.0872 C.2 2 HOH2 0.4435 21 O -5.5286 3.1030 1.5189 O.2 2 HOH2 -0.4435 22 N -0.2783 1.5338 -0.3912 N.2 1 UNL1 -0.4912 23 C 5.1451 0.1107 1.2327 C.2 1 UNL1 0.4700 24 O 6.2952 0.2452 1.2512 O.2 1 UNL1 -0.2938 25 C 1.4428 -2.6887 0.0804 C.2 1 UNL1 -0.5240 26 C 0.4843 -3.7074 0.0589 C.2 1 UNL1 -0.0535 @BOND 1 15 18 2 2 17 16 2 3 14 12 1 4 14 22 1 5 16 13 2 6 12 13 1 7 12 4 1 8 13 3 1 9 22 11 2 10 18 19 2 11 3 4 2 12 3 2 1 13 4 5 1 14 11 7 1 15 2 1 2 16 2 26 1 17 5 7 2 18 5 25 1 19 7 8 1 20 26 25 2 21 25 6 1 22 8 9 1 23 9 23 am 24 20 21 2 25 23 24 2