@MOLECULE [(2r)-3-methyl-5-oxo-2,5-dihydro-2-furanyl]methyl (2e)-3-(3,4-dihydroxyphenyl)acrylate 35 36 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.7281 -0.0463 -1.0021 O.3 1 UNL1111111111 -0.4119 2 O -2.0854 -0.8367 0.2886 O.3 1 UNL1111111111 -0.4300 3 O -4.6024 1.8330 -2.2098 O.2 1 UNL1111111111 -0.4204 4 O -1.0038 -2.7796 -0.0148 O.2 1 UNL1111111111 -0.5040 5 O 6.1570 -0.6413 -1.0409 O.3 1 UNL1111111111 -0.4880 6 O 6.1583 1.7928 0.1810 O.3 1 UNL1111111111 -0.4399 7 C -4.4004 -0.4641 0.3311 C.3 1 UNL1111111111 0.0494 8 C -3.9257 0.8011 1.0341 C.2 1 UNL1111111111 0.1085 9 C -3.3243 -1.5445 0.2261 C.3 1 UNL1111111111 -0.0447 10 C -3.9511 1.8164 0.1541 C.2 1 UNL1111111111 -0.3507 11 C -3.5243 0.7882 2.4463 C.3 1 UNL1111111111 -0.4606 12 C -4.4294 1.3118 -1.1497 C.2 1 UNL1111111111 0.5996 13 C -0.9572 -1.5811 0.1105 C.2 1 UNL1111111111 0.6078 14 C 2.6728 -0.4446 0.1341 C.ar 1 UNL1111111111 -0.0523 15 C 0.2160 -0.7041 0.1267 C.2 1 UNL1111111111 -0.3009 16 C 1.4475 -1.2360 0.1196 C.2 1 UNL1111111111 -0.0178 17 C 3.8182 -0.9724 -0.4851 C.ar 1 UNL1111111111 -0.2162 18 C 2.7251 0.8057 0.7547 C.ar 1 UNL1111111111 -0.1147 19 C 4.9859 -0.2293 -0.4781 C.ar 1 UNL1111111111 0.1333 20 C 5.0385 1.0352 0.1467 C.ar 1 UNL1111111111 0.2239 21 C 3.9039 1.5503 0.7672 C.ar 1 UNL1111111111 -0.2119 22 H -5.3487 -0.8647 0.7511 H 1 UNL1111111111 0.1631 23 H -3.3872 -2.0865 -0.7403 H 1 UNL1111111111 0.1714 24 H -3.3631 -2.2682 1.0583 H 1 UNL1111111111 0.1440 25 H -3.6835 2.8465 0.2843 H 1 UNL1111111111 0.1891 26 H -4.2920 0.3413 3.0970 H 1 UNL1111111111 0.1671 27 H -3.3165 1.7965 2.8373 H 1 UNL1111111111 0.1683 28 H -2.6004 0.1959 2.5871 H 1 UNL1111111111 0.1841 29 H 0.0174 0.3677 0.1291 H 1 UNL1111111111 0.1885 30 H 1.5843 -2.3272 0.0920 H 1 UNL1111111111 0.1715 31 H 3.7818 -1.9469 -0.9667 H 1 UNL1111111111 0.1674 32 H 1.8378 1.2085 1.2445 H 1 UNL1111111111 0.1616 33 H 3.9520 2.5251 1.2503 H 1 UNL1111111111 0.1795 34 H 6.0471 -1.4856 -1.5421 H 1 UNL1111111111 0.3415 35 H 6.9079 1.3453 -0.2990 H 1 UNL1111111111 0.3444 @BOND 1 1 7 1 2 1 12 1 3 2 9 1 4 2 13 1 5 3 12 2 6 4 13 2 7 5 19 1 8 5 34 1 9 6 20 1 10 6 35 1 11 7 8 1 12 7 9 1 13 7 22 1 14 8 10 2 15 8 11 1 16 9 23 1 17 9 24 1 18 10 12 1 19 10 25 1 20 11 26 1 21 11 27 1 22 11 28 1 23 13 15 1 24 14 16 1 25 14 17 ar 26 14 18 ar 27 15 16 2 28 15 29 1 29 16 30 1 30 17 19 ar 31 17 31 1 32 18 21 ar 33 18 32 1 34 19 20 ar 35 20 21 ar 36 21 33 1