@MOLECULE (2e)-4-{2-[(4-benzyl-3-pyridinyl)carbonyl]hydrazino}-4-oxo-2-butenoic acid 39 40 0 0 0 SMALL GASTEIGER @ATOM 1 O 7.0427 -2.0198 -0.0078 O.2 1 UNL111111111 -0.2979 2 C 6.8468 -0.8612 0.2532 C.2 1 UNL111111111 0.2657 3 O 7.8321 -0.0753 0.7539 O.3 1 UNL111111111 -0.4154 4 C 5.6018 -0.0844 0.0990 C.2 1 UNL111111111 -0.0279 5 C 4.5095 -0.6612 -0.4099 C.2 1 UNL111111111 -0.3745 6 C 3.2713 0.1372 -0.5747 C.2 1 UNL111111111 0.5093 7 O 3.2261 1.3474 -0.5290 O.2 1 UNL111111111 -0.3901 8 N 2.1307 -0.5986 -0.9524 N.am 1 UNL111111111 -0.5909 9 N 0.9166 0.0921 -0.9953 N.am 1 UNL111111111 -0.5218 10 C 0.1612 0.1612 0.1969 C.2 1 UNL111111111 0.3562 11 O 0.3806 -0.6158 1.0973 O.2 1 UNL111111111 -0.2300 12 C -0.9477 1.1334 0.1545 C.ar 1 UNL111111111 -0.5792 13 C -0.6657 2.5072 0.1080 C.ar 1 UNL111111111 0.2442 14 N -1.6330 3.4380 0.1059 N.ar 1 UNL111111111 -0.5971 15 C -2.9166 3.0279 0.1614 C.ar 1 UNL111111111 0.3314 16 C -3.2811 1.6790 0.2192 C.ar 1 UNL111111111 -0.7339 17 C -2.2811 0.7039 0.2141 C.ar 1 UNL111111111 0.8289 18 C -2.5839 -0.7586 0.2786 C.3 1 UNL111111111 -1.1680 19 C -4.0380 -1.0797 0.1169 C.ar 1 UNL111111111 0.5104 20 C -4.6150 -1.0757 -1.1554 C.ar 1 UNL111111111 -0.4387 21 C -5.9674 -1.3711 -1.3068 C.ar 1 UNL111111111 -0.1307 22 C -6.7465 -1.6748 -0.1909 C.ar 1 UNL111111111 -0.2362 23 C -6.1696 -1.6833 1.0775 C.ar 1 UNL111111111 -0.1322 24 C -4.8170 -1.3865 1.2334 C.ar 1 UNL111111111 -0.3427 25 H 8.6942 -0.5486 0.8741 H 1 UNL111111111 0.3417 26 H 5.6394 0.9673 0.4136 H 1 UNL111111111 0.2141 27 H 4.4869 -1.7072 -0.7300 H 1 UNL111111111 0.2726 28 H 2.0055 -1.5698 -0.6595 H 1 UNL111111111 0.4738 29 H 0.9518 0.8927 -1.6307 H 1 UNL111111111 0.4352 30 H 0.3663 2.8865 0.0796 H 1 UNL111111111 0.2191 31 H -3.6680 3.8281 0.1596 H 1 UNL111111111 0.1484 32 H -4.3318 1.3973 0.2692 H 1 UNL111111111 0.2930 33 H -1.9906 -1.3100 -0.4906 H 1 UNL111111111 0.3709 34 H -2.1918 -1.1632 1.2477 H 1 UNL111111111 0.3621 35 H -4.0086 -0.8401 -2.0277 H 1 UNL111111111 0.2303 36 H -4.3712 -1.3937 2.2267 H 1 UNL111111111 0.2363 37 H -6.4165 -1.3659 -2.2984 H 1 UNL111111111 0.1718 38 H -7.8024 -1.9064 -0.3111 H 1 UNL111111111 0.1929 39 H -6.7758 -1.9226 1.9494 H 1 UNL111111111 0.1990 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 25 1 5 4 5 2 6 4 26 1 7 5 6 1 8 5 27 1 9 6 7 2 10 6 8 am 11 8 9 1 12 8 28 1 13 9 10 am 14 9 29 1 15 10 11 2 16 10 12 1 17 12 13 ar 18 12 17 ar 19 13 14 ar 20 13 30 1 21 14 15 ar 22 15 16 ar 23 15 31 1 24 16 17 ar 25 16 32 1 26 17 18 1 27 18 19 1 28 18 33 1 29 18 34 1 30 19 20 ar 31 19 24 ar 32 20 21 ar 33 20 35 1 34 21 22 ar 35 21 37 1 36 22 23 ar 37 22 38 1 38 23 24 ar 39 23 39 1 40 24 36 1