@MOLECULE 2-methyl-3-buten-2-yl (2e)-3-(3,4-dihydroxyphenyl)acrylate 34 34 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.7544 -0.6739 0.1651 O.3 1 UNL111111111 -0.4668 2 O -2.1879 1.3583 -0.6361 O.2 1 UNL111111111 -0.5187 3 O 5.1331 1.7420 0.2478 O.3 1 UNL111111111 -0.4446 4 O 5.9202 -0.8661 0.3256 O.3 1 UNL111111111 -0.4872 5 C -4.1720 -0.4542 0.0089 C.3 1 UNL111111111 0.3314 6 C -4.4864 -0.2837 -1.4743 C.3 1 UNL111111111 -0.4982 7 C -4.7384 -1.7612 0.5776 C.3 1 UNL111111111 -0.4719 8 C -4.5987 0.7304 0.8301 C.2 1 UNL111111111 -0.1623 9 C -1.8678 0.2778 -0.2040 C.2 1 UNL111111111 0.6180 10 C 1.9357 0.1021 -0.2351 C.ar 1 UNL111111111 -0.0343 11 C -0.4999 -0.2163 0.0182 C.2 1 UNL111111111 -0.2871 12 C 0.5434 0.5053 -0.4152 C.2 1 UNL111111111 -0.0328 13 C -5.8613 1.1455 0.9099 C.2 1 UNL111111111 -0.3161 14 C 2.9050 1.1038 -0.0780 C.ar 1 UNL111111111 -0.1905 15 C 2.3058 -1.2443 -0.2256 C.ar 1 UNL111111111 -0.1318 16 C 4.2330 0.7390 0.1034 C.ar 1 UNL111111111 0.1999 17 C 4.5949 -0.6240 0.1254 C.ar 1 UNL111111111 0.1503 18 C 3.6396 -1.6158 -0.0436 C.ar 1 UNL111111111 -0.2395 19 H -4.0139 -1.0700 -2.0738 H 1 UNL111111111 0.1585 20 H -5.5646 -0.3150 -1.6614 H 1 UNL111111111 0.1570 21 H -4.1162 0.6832 -1.8495 H 1 UNL111111111 0.1812 22 H -4.3627 -2.6289 0.0223 H 1 UNL111111111 0.1600 23 H -5.8319 -1.7682 0.5296 H 1 UNL111111111 0.1573 24 H -4.4427 -1.8939 1.6262 H 1 UNL111111111 0.1624 25 H -3.7888 1.2338 1.3600 H 1 UNL111111111 0.1640 26 H -0.4103 -1.1653 0.5439 H 1 UNL111111111 0.1832 27 H 0.3875 1.4665 -0.9272 H 1 UNL111111111 0.1767 28 H -6.1669 1.9962 1.4999 H 1 UNL111111111 0.1490 29 H -6.6853 0.6795 0.3932 H 1 UNL111111111 0.1431 30 H 2.6353 2.1599 -0.0907 H 1 UNL111111111 0.1838 31 H 1.5514 -2.0181 -0.3666 H 1 UNL111111111 0.1626 32 H 3.9191 -2.6653 -0.0341 H 1 UNL111111111 0.1614 33 H 6.0526 1.3810 0.3642 H 1 UNL111111111 0.3419 34 H 6.1323 -1.8285 0.2590 H 1 UNL111111111 0.3401 @BOND 1 1 5 1 2 1 9 1 3 2 9 2 4 3 16 1 5 3 33 1 6 4 17 1 7 4 34 1 8 5 6 1 9 5 7 1 10 5 8 1 11 6 19 1 12 6 20 1 13 6 21 1 14 7 22 1 15 7 23 1 16 7 24 1 17 8 13 2 18 8 25 1 19 9 11 1 20 10 12 1 21 10 14 ar 22 10 15 ar 23 11 12 2 24 11 26 1 25 12 27 1 26 13 28 1 27 13 29 1 28 14 16 ar 29 14 30 1 30 15 18 ar 31 15 31 1 32 16 17 ar 33 17 18 ar 34 18 32 1