@MOLECULE 4-formyl-5-(hydroxymethyl)-2-methyl-3-pyridinyl hydrogen sulfate 25 25 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.3425 -0.4426 0.1510 S.O2 1 UNL1111111111 2.5450 2 O -1.0774 0.0223 -0.9017 O.3 1 UNL1111111111 -0.6944 3 O 3.3545 -1.7169 0.2754 O.3 1 UNL1111111111 -0.5396 4 O -1.4340 -1.2426 1.2176 O.3 1 UNL1111111111 -0.8321 5 O 0.5679 -2.4224 -0.0987 O.2 1 UNL1111111111 -0.4955 6 O -2.8524 0.7437 0.7622 O.2 1 UNL1111111111 -0.8519 7 O -3.1494 -1.3237 -0.6245 O.2 1 UNL1111111111 -0.8152 8 N 1.2589 2.5698 0.1945 N.ar 1 UNL1111111111 -0.3519 9 C 1.2089 -0.1680 -0.3662 C.ar 1 UNL1111111111 -0.1924 10 C 2.3954 0.4511 0.0399 C.ar 1 UNL1111111111 -0.1154 11 C 0.0474 0.5988 -0.4418 C.ar 1 UNL1111111111 0.2270 12 C 0.1032 1.9961 -0.1792 C.ar 1 UNL1111111111 0.1706 13 C 2.3715 1.8210 0.3185 C.ar 1 UNL1111111111 0.0058 14 C 3.6595 -0.3403 0.1640 C.3 1 UNL1111111111 -0.0070 15 C -1.0886 2.8705 -0.3081 C.3 1 UNL1111111111 -0.4474 16 C 1.2172 -1.6116 -0.7255 C.2 1 UNL1111111111 0.4490 17 H 3.2671 2.3625 0.6453 H 1 UNL1111111111 0.1780 18 H 4.2659 -0.2951 -0.7682 H 1 UNL1111111111 0.1650 19 H 4.2871 -0.0193 1.0162 H 1 UNL1111111111 0.1383 20 H -1.6814 2.6339 -1.2048 H 1 UNL1111111111 0.1752 21 H -1.7680 2.7573 0.5623 H 1 UNL1111111111 0.2060 22 H -0.8179 3.9376 -0.3539 H 1 UNL1111111111 0.1734 23 H 1.8268 -1.9229 -1.5848 H 1 UNL1111111111 0.1486 24 H 3.0500 -1.9408 1.1831 H 1 UNL1111111111 0.3311 25 H -0.6879 -1.8083 0.8490 H 1 UNL1111111111 0.4299 @BOND 1 1 2 1 2 1 4 1 3 1 6 2 4 1 7 2 5 2 11 1 6 3 14 1 7 3 24 1 8 4 25 1 9 5 16 2 10 8 12 ar 11 8 13 ar 12 9 10 ar 13 9 11 ar 14 9 16 1 15 10 13 ar 16 10 14 1 17 11 12 ar 18 12 15 1 19 13 17 1 20 14 18 1 21 14 19 1 22 15 20 1 23 15 21 1 24 15 22 1 25 16 23 1