@MOLECULE (2z)-4-butoxy-4-oxo-2-butenoic acid 24 23 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.3434 0.4617 -0.3820 O.3 1 UNL1111111111 -0.4117 2 O 0.4979 2.1944 0.7946 O.2 1 UNL1111111111 -0.4735 3 O 3.4063 -1.8771 -0.1153 O.3 1 UNL1111111111 -0.5521 4 O 1.8401 -0.9031 1.1383 O.2 1 UNL1111111111 -0.4746 5 C -2.5413 -0.3274 -0.3604 C.3 1 UNL1111111111 -0.3004 6 C -3.8922 -0.3279 0.3635 C.3 1 UNL1111111111 -0.2438 7 C -1.5162 0.4597 0.4519 C.3 1 UNL1111111111 -0.0173 8 C -4.9271 -1.1285 -0.4263 C.3 1 UNL1111111111 -0.4374 9 C 0.6155 1.3548 -0.0583 C.2 1 UNL1111111111 0.5918 10 C 1.7776 1.1824 -0.9670 C.2 1 UNL1111111111 -0.1398 11 C 2.6570 0.1862 -0.8639 C.2 1 UNL1111111111 -0.2044 12 C 2.5440 -0.8638 0.1640 C.2 1 UNL1111111111 0.6297 13 H -2.1841 -1.3629 -0.5227 H 1 UNL1111111111 0.1540 14 H -2.6417 0.1106 -1.3724 H 1 UNL1111111111 0.1523 15 H -4.2485 0.7106 0.5070 H 1 UNL1111111111 0.1368 16 H -3.7806 -0.7551 1.3792 H 1 UNL1111111111 0.1390 17 H -1.8324 1.4984 0.6529 H 1 UNL1111111111 0.1410 18 H -1.2398 -0.0356 1.3997 H 1 UNL1111111111 0.1433 19 H -5.0861 -0.7060 -1.4248 H 1 UNL1111111111 0.1430 20 H -4.6149 -2.1711 -0.5561 H 1 UNL1111111111 0.1446 21 H -5.8966 -1.1376 0.0844 H 1 UNL1111111111 0.1420 22 H 1.8586 1.9679 -1.7258 H 1 UNL1111111111 0.1857 23 H 3.5170 0.0871 -1.5361 H 1 UNL1111111111 0.1940 24 H 3.3693 -2.6168 0.5414 H 1 UNL1111111111 0.3578 @BOND 1 1 7 1 2 1 9 1 3 2 9 2 4 3 12 1 5 3 24 1 6 4 12 2 7 5 6 1 8 5 7 1 9 5 13 1 10 5 14 1 11 6 8 1 12 6 15 1 13 6 16 1 14 7 17 1 15 7 18 1 16 8 19 1 17 8 20 1 18 8 21 1 19 9 10 1 20 10 11 2 21 10 22 1 22 11 12 1 23 11 23 1