@MOLECULE 3-methyl-2-buten-1-yl (2e)-3-(3,4-dihydroxyphenyl)acrylate 34 34 0 0 0 SMALL USER_CHARGES @ATOM 1 O -2.4829 0.0116 -0.1817 O.3 1 UNL11111111 -0.4234 2 O 5.6894 -1.3257 -0.4105 O.3 1 UNL11111111 -0.4447 3 O 6.1272 1.3374 -0.0519 O.3 1 UNL11111111 -0.4873 4 O -1.6529 -2.0130 0.3237 O.2 1 UNL11111111 -0.5193 5 C 2.2883 -0.1959 0.1528 C.ar 1 UNL11111111 -0.0361 6 C -6.0427 0.5929 -0.0805 C.2 1 UNL11111111 0.0638 7 C -4.7105 0.6481 -0.1918 C.2 1 UNL11111111 -0.2617 8 C -3.8101 -0.5305 -0.0630 C.3 1 UNL11111111 -0.0044 9 C 3.3862 -1.0313 -0.1058 C.ar 1 UNL11111111 -0.1886 10 C 2.4784 1.1723 0.3566 C.ar 1 UNL11111111 -0.1283 11 C 4.6597 -0.4794 -0.1636 C.ar 1 UNL11111111 0.1988 12 C 0.9598 -0.7987 0.2230 C.2 1 UNL11111111 -0.0322 13 C 4.8392 0.9050 0.0386 C.ar 1 UNL11111111 0.1526 14 C 3.7567 1.7317 0.3025 C.ar 1 UNL11111111 -0.2409 15 C -6.8837 1.8210 -0.2200 C.3 1 UNL11111111 -0.4569 16 C -6.8091 -0.6586 0.1880 C.3 1 UNL11111111 -0.4590 17 C -0.1767 -0.1553 -0.0823 C.2 1 UNL11111111 -0.2871 18 C -1.4634 -0.8523 0.0475 C.2 1 UNL11111111 0.6056 19 H -4.1881 1.5861 -0.3888 H 1 UNL11111111 0.1714 20 H -3.9449 -1.2719 -0.8753 H 1 UNL11111111 0.1435 21 H -3.8984 -1.0406 0.9168 H 1 UNL11111111 0.1464 22 H 3.2584 -2.1021 -0.2649 H 1 UNL11111111 0.1835 23 H 1.6247 1.8149 0.5711 H 1 UNL11111111 0.1627 24 H 0.9350 -1.8502 0.5469 H 1 UNL11111111 0.1758 25 H 3.8955 2.7971 0.4637 H 1 UNL11111111 0.1618 26 H -7.6073 1.7173 -1.0409 H 1 UNL11111111 0.1565 27 H -7.4568 2.0158 0.6976 H 1 UNL11111111 0.1567 28 H -6.2909 2.7220 -0.4261 H 1 UNL11111111 0.1532 29 H -7.5473 -0.8500 -0.6046 H 1 UNL11111111 0.1585 30 H -6.1762 -1.5524 0.2560 H 1 UNL11111111 0.1543 31 H -7.3639 -0.5862 1.1352 H 1 UNL11111111 0.1590 32 H -0.2208 0.8758 -0.4297 H 1 UNL11111111 0.1835 33 H 6.5565 -0.8384 -0.4211 H 1 UNL11111111 0.3421 34 H 6.2089 2.2984 0.1595 H 1 UNL11111111 0.3403 @BOND 1 26 15 1 2 20 8 1 3 29 16 1 4 32 17 1 5 28 15 1 6 33 2 1 7 2 11 1 8 19 7 1 9 22 9 1 10 15 6 1 11 15 27 1 12 7 6 2 13 7 8 1 14 1 8 1 15 1 18 1 16 11 9 ar 17 11 13 ar 18 9 5 ar 19 17 18 1 20 17 12 2 21 6 16 1 22 8 21 1 23 3 13 1 24 3 34 1 25 13 14 ar 26 18 4 2 27 5 12 1 28 5 10 ar 29 16 30 1 30 16 31 1 31 12 24 1 32 14 10 ar 33 14 25 1 34 10 23 1