@MOLECULE (2z)-2-(3,4-dihydroxybenzylidene)-5-methyl-3(2h)-furanone 26 27 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.6250 -0.8237 -0.0326 O.2 1 UNL1111111111 -0.2678 2 O 3.4464 0.0527 1.9479 O.3 1 UNL1111111111 -0.4463 3 O -3.6793 2.0136 0.0620 O.2 1 UNL1111111111 -0.4075 4 O 4.5184 -0.7313 -0.4294 O.3 1 UNL1111111111 -0.4908 5 C 0.6846 0.7998 -0.2709 C.ar 1 UNL1111111111 0.0074 6 C -1.7513 0.5709 -0.0622 C.2 1 UNL1111111111 0.0207 7 C -0.6721 1.3411 -0.1750 C.2 1 UNL1111111111 -0.1472 8 C -2.9014 -1.3512 0.1097 C.2 1 UNL1111111111 0.3280 9 C -3.2149 0.9081 0.0599 C.2 1 UNL1111111111 0.4640 10 C 1.4506 0.6796 0.8936 C.ar 1 UNL1111111111 -0.2045 11 C -3.8654 -0.4034 0.1672 C.2 1 UNL1111111111 -0.4794 12 C 1.1966 0.4178 -1.5106 C.ar 1 UNL1111111111 -0.1555 13 C 2.7370 0.1605 0.7978 C.ar 1 UNL1111111111 0.2122 14 C 2.4902 -0.0992 -1.6093 C.ar 1 UNL1111111111 -0.2230 15 C 3.2510 -0.2264 -0.4559 C.ar 1 UNL1111111111 0.1329 16 C -2.8981 -2.8166 0.1658 C.3 1 UNL1111111111 -0.4742 17 H -0.7611 2.4338 -0.1934 H 1 UNL1111111111 0.1932 18 H 1.0565 0.9774 1.8641 H 1 UNL1111111111 0.1844 19 H -4.9230 -0.5162 0.2718 H 1 UNL1111111111 0.1969 20 H 0.5856 0.5179 -2.4060 H 1 UNL1111111111 0.1626 21 H 2.8876 -0.3992 -2.5745 H 1 UNL1111111111 0.1604 22 H -3.9143 -3.2378 0.1009 H 1 UNL1111111111 0.1801 23 H -2.4479 -3.1840 1.1069 H 1 UNL1111111111 0.1884 24 H -2.3011 -3.2573 -0.6532 H 1 UNL1111111111 0.1858 25 H 4.3498 -0.3248 1.7728 H 1 UNL1111111111 0.3414 26 H 4.8629 -0.8992 -1.3386 H 1 UNL1111111111 0.3378 @BOND 1 1 6 1 2 1 8 1 3 2 13 1 4 2 25 1 5 3 9 2 6 4 15 1 7 4 26 1 8 5 7 1 9 5 10 ar 10 5 12 ar 11 6 7 2 12 6 9 1 13 7 17 1 14 8 11 2 15 8 16 1 16 9 11 1 17 10 13 ar 18 10 18 1 19 11 19 1 20 12 14 ar 21 12 20 1 22 13 15 ar 23 14 15 ar 24 14 21 1 25 16 22 1 26 16 23 1 27 16 24 1