@MOLECULE (2z)-3-[2-hydroxy-5-(1-hydroxy-3-methylbutyl)-4-methoxyphenyl]acrylic acid 40 40 0 0 0 SMALL GASTEIGER @ATOM 1 C 3.9201 -2.4732 -1.3305 C.3 1 UNL1111111111 -1.0717 2 O 1.2705 -1.4648 1.6644 O.3 1 UNL1111111111 -0.3909 3 O 1.8867 2.1701 -0.1025 O.3 1 UNL1111111111 -0.0123 4 C 2.1534 3.4469 -0.6684 C.3 1 UNL1111111111 -0.6892 5 C 4.7616 -0.6747 0.2092 C.3 1 UNL1111111111 -0.8234 6 C 3.5813 -1.5988 -0.1161 C.3 1 UNL1111111111 0.3378 7 C 2.3113 -0.7787 -0.3989 C.3 1 UNL1111111111 -0.6976 8 C 1.6398 -0.3304 0.9123 C.3 1 UNL1111111111 -0.0807 9 C 0.4354 0.5217 0.6041 C.ar 1 UNL1111111111 -0.0741 10 C 0.5921 1.7995 0.0304 C.ar 1 UNL1111111111 0.1493 11 C -0.5051 2.5741 -0.3455 C.ar 1 UNL1111111111 -0.5292 12 O -3.6070 -2.8621 -1.0987 O.3 1 UNL1111111111 -0.4424 13 O -1.7180 -2.3290 -0.0683 O.2 1 UNL1111111111 -0.3873 14 C -2.8807 -2.0652 -0.2637 C.2 1 UNL1111111111 0.3447 15 C -0.8460 0.0500 0.8424 C.ar 1 UNL1111111111 -0.2886 16 C -1.9781 0.7649 0.4298 C.ar 1 UNL1111111111 0.3238 17 C -1.7748 2.0286 -0.1448 C.ar 1 UNL1111111111 -0.0321 18 O -2.9005 2.6900 -0.5076 O.3 1 UNL1111111111 -0.3021 19 C -3.7288 -1.0058 0.2766 C.2 1 UNL1111111111 -0.1068 20 C -3.3247 0.2405 0.5698 C.2 1 UNL1111111111 -0.3944 21 H 4.8323 -3.0534 -1.1577 H 1 UNL1111111111 0.3063 22 H 3.1150 -3.1843 -1.5450 H 1 UNL1111111111 0.2821 23 H 4.0781 -1.8679 -2.2287 H 1 UNL1111111111 0.2792 24 H 0.6550 -2.0383 1.1540 H 1 UNL1111111111 0.3585 25 H 3.2521 3.4781 -0.6526 H 1 UNL1111111111 0.2698 26 H 1.7834 3.5041 -1.6964 H 1 UNL1111111111 0.2239 27 H 1.7398 4.2450 -0.0448 H 1 UNL1111111111 0.2294 28 H 4.5365 -0.0282 1.0644 H 1 UNL1111111111 0.2349 29 H 5.6571 -1.2520 0.4608 H 1 UNL1111111111 0.2272 30 H 5.0105 -0.0275 -0.6374 H 1 UNL1111111111 0.2300 31 H 3.3882 -2.2631 0.7644 H 1 UNL1111111111 0.1351 32 H 2.5526 0.0995 -1.0245 H 1 UNL1111111111 0.2591 33 H 1.5924 -1.3773 -0.9904 H 1 UNL1111111111 0.2689 34 H 2.3495 0.1891 1.5983 H 1 UNL1111111111 0.2494 35 H -0.3894 3.5556 -0.7814 H 1 UNL1111111111 0.2458 36 H -0.9861 -0.9004 1.3769 H 1 UNL1111111111 0.2591 37 H -2.7084 3.5637 -0.9268 H 1 UNL1111111111 0.3117 38 H -4.7789 -1.2961 0.3892 H 1 UNL1111111111 0.2039 39 H -4.0640 0.9789 0.9208 H 1 UNL1111111111 0.2529 40 H -3.0821 -3.6041 -1.4853 H 1 UNL1111111111 0.3398 @BOND 1 1 6 1 2 1 21 1 3 1 22 1 4 1 23 1 5 2 8 1 6 2 24 1 7 3 4 1 8 3 10 1 9 4 25 1 10 4 26 1 11 4 27 1 12 5 6 1 13 5 28 1 14 5 29 1 15 5 30 1 16 6 7 1 17 6 31 1 18 7 8 1 19 7 32 1 20 7 33 1 21 8 9 1 22 8 34 1 23 9 10 ar 24 9 15 ar 25 10 11 ar 26 11 17 ar 27 11 35 1 28 12 14 1 29 12 40 1 30 13 14 2 31 14 19 1 32 15 16 ar 33 15 36 1 34 16 17 ar 35 16 20 1 36 17 18 1 37 18 37 1 38 19 20 2 39 19 38 1 40 20 39 1