@MOLECULE 1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2h)-yl)-d-ribitol 26 28 0 0 0 SMALL GASTEIGER @ATOM 1 C -0.9316 0.4664 1.5505 C.ar 1 UNL1 0.1607 2 C -2.2533 0.4518 1.0927 C.ar 1 UNL1 0.0910 3 N -0.1480 -0.5895 1.2787 N.ar 1 UNL1 -0.3091 4 N -0.5083 1.5504 2.1385 N.2 1 UNL1 -0.1443 5 C -2.9531 1.6364 1.1429 C.2 1 UNL1 0.2822 6 N -2.4253 2.6700 1.7580 N.am 1 UNL1 -0.0878 7 C -1.2275 2.6349 2.2869 C.1 1 UNL1 0.2409 8 C -2.7836 -0.7004 0.6419 C.ar 1 UNL1 0.0091 9 C -0.6855 -1.8398 1.0751 C.ar 1 UNL1 0.0643 10 C 1.1840 -0.3194 0.8682 C.3 1 UNL1 0.1430 11 C -2.0646 -1.8820 0.6496 C.ar 1 UNL1 0.0163 12 C 1.2057 0.2643 -0.5724 C.3 1 UNL1 0.2072 13 C 2.5948 0.6250 -1.1614 C.3 1 UNL1 0.2168 14 C 0.0006 -3.0951 1.1751 C.ar 1 UNL1 0.0592 15 O -4.0564 1.7969 0.6417 O.2 1 UNL1 -0.2672 16 O -0.7709 3.6068 2.8681 O.2 1 UNL1 -0.2040 17 C 2.4925 1.2919 -2.5670 C.3 1 UNL1 0.2175 18 C -2.7631 -3.0524 0.2498 C.ar 1 UNL1 0.0047 19 C -0.6902 -4.2735 0.7960 C.ar 1 UNL1 0.1972 20 O 0.5449 -0.6745 -1.4194 O.3 1 UNL1 -0.2182 21 O 3.2655 1.5099 -0.2606 O.3 1 UNL1 -0.2175 22 C -2.0307 -4.2614 0.3291 C.ar 1 UNL1 0.0421 23 O 1.8517 0.4396 -3.5126 O.3 1 UNL1 -0.2175 24 O -0.0870 -5.3665 0.8655 O.2 1 UNL1 -0.2865 25 O 3.6999 2.3454 -4.4359 O.3 1 UNL1 -0.2175 26 C 3.8484 1.6739 -3.1901 C.3 1 UNL1 0.2175 @BOND 1 25 26 1 2 23 17 1 3 26 17 1 4 17 13 1 5 20 12 1 6 13 12 1 7 13 21 1 8 12 10 1 9 18 22 ar 10 18 11 ar 11 22 19 ar 12 15 5 2 13 8 11 ar 14 8 2 ar 15 11 9 ar 16 19 24 2 17 19 14 ar 18 10 3 1 19 9 14 ar 20 9 3 ar 21 2 5 1 22 2 1 ar 23 5 6 am 24 3 1 ar 25 1 4 1 26 6 7 am 27 4 7 2 28 7 16 2