@MOLECULE 4-hydroxy-1-(3-pyridyl)-1-butanone 23 23 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.9625 0.1173 0.0596 O.3 1 UNL1111111111 -0.5483 2 O -0.4510 -1.8074 -0.0892 O.2 1 UNL1111111111 -0.4307 3 N 2.8846 1.5644 -0.0306 N.ar 1 UNL1111111111 -0.3842 4 C -1.2698 0.4232 -0.0224 C.3 1 UNL1111111111 -0.3775 5 C -2.6547 -0.2232 0.0023 C.3 1 UNL1111111111 -0.2670 6 C -0.1904 -0.6294 -0.0479 C.2 1 UNL1111111111 0.4752 7 C -3.7460 0.8495 0.0211 C.3 1 UNL1111111111 -0.0013 8 C 1.2220 -0.1782 -0.0172 C.ar 1 UNL1111111111 -0.2605 9 C 2.2290 -1.1468 0.0534 C.ar 1 UNL1111111111 -0.0137 10 C 1.5990 1.1719 -0.0591 C.ar 1 UNL1111111111 0.0863 11 C 3.5613 -0.7462 0.0836 C.ar 1 UNL1111111111 -0.2633 12 C 3.8476 0.6246 0.0401 C.ar 1 UNL1111111111 0.0865 13 H -1.1704 1.0798 -0.9117 H 1 UNL1111111111 0.1671 14 H -1.1364 1.0755 0.8653 H 1 UNL1111111111 0.1666 15 H -2.7650 -0.8929 0.8803 H 1 UNL1111111111 0.1693 16 H -2.7952 -0.8949 -0.8701 H 1 UNL1111111111 0.1705 17 H -3.7340 1.4731 -0.8899 H 1 UNL1111111111 0.1095 18 H -3.6846 1.4916 0.9171 H 1 UNL1111111111 0.1088 19 H 1.9594 -2.2085 0.0831 H 1 UNL1111111111 0.1817 20 H 0.8647 1.9849 -0.1190 H 1 UNL1111111111 0.1711 21 H 4.3636 -1.4767 0.1388 H 1 UNL1111111111 0.1727 22 H -5.7246 0.7235 0.1003 H 1 UNL1111111111 0.3087 23 H 4.8777 1.0020 0.0613 H 1 UNL1111111111 0.1722 @BOND 1 1 7 1 2 1 22 1 3 2 6 2 4 3 10 ar 5 3 12 ar 6 4 5 1 7 4 6 1 8 4 13 1 9 4 14 1 10 5 7 1 11 5 15 1 12 5 16 1 13 6 8 1 14 7 17 1 15 7 18 1 16 8 9 ar 17 8 10 ar 18 9 11 ar 19 9 19 1 20 10 20 1 21 11 12 ar 22 11 21 1 23 12 23 1