@MOLECULE (2r,3r)-4-hydroxy-2,3-bis(4-hydroxy-3-methoxybenzyl)butyl (2e)-3-(4-hydroxy-3-methoxyphenyl)acrylate 73 75 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 1.9417 0.8788 0.4984 C.3 1 UNL1 -0.1331 2 C 3.4647 0.7969 0.7248 C.3 1 UNL1 -0.1604 3 C -0.7216 1.9401 -1.4905 C.ar 1 UNL1 -0.2499 4 C -0.5121 2.8461 0.7478 C.ar 1 UNL1 -0.1720 5 C -1.8892 3.0550 0.8123 C.ar 1 UNL1 -0.1890 6 C 6.7402 1.0243 -0.3090 C.ar 1 UNL1 -0.1820 7 C 8.0083 0.4790 -0.0984 C.ar 1 UNL1 -0.1855 8 C 5.7482 -1.1878 -0.2543 C.ar 1 UNL1 -0.2562 9 C -5.6040 -1.9292 -0.1242 C.ar 1 UNL1 -0.2123 10 C -6.2275 0.2222 1.5833 C.ar 1 UNL1 -0.2032 11 C -4.9479 0.1001 1.0421 C.ar 1 UNL1 -0.1133 12 C 1.5474 2.0401 -0.4331 C.3 1 UNL1 -0.2887 13 C 1.4342 -0.4682 -0.0428 C.3 1 UNL1 -0.0382 14 C 4.2572 0.7892 -0.5960 C.3 1 UNL1 -0.2920 15 C 3.9435 1.9606 1.6109 C.3 1 UNL1 -0.0103 16 C 6.2328 -3.9769 -0.0843 C.3 1 UNL1 -0.1856 17 C -2.5379 0.9883 -3.4489 C.3 1 UNL1 -0.1953 18 C -7.7618 -3.6493 -0.7918 C.3 1 UNL1 -0.1856 19 H 3.5375 1.0881 3.3445 H 1 UNL1 0.3119 20 H 9.3971 -2.3632 0.2960 H 1 UNL1 0.3365 21 H -4.4988 2.5845 -0.9587 H 1 UNL1 0.3389 22 H -9.0350 -1.2913 1.5419 H 1 UNL1 0.3379 23 C -2.6778 2.6978 -0.2757 C.ar 1 UNL1 0.1777 24 C -2.0929 2.1437 -1.4329 C.ar 1 UNL1 0.1136 25 C 0.0694 2.2851 -0.3887 C.ar 1 UNL1 0.0127 26 C 5.6196 0.2025 -0.3849 C.ar 1 UNL1 0.0077 27 C 8.1389 -0.8976 0.0345 C.ar 1 UNL1 0.1830 28 C 7.0031 -1.7351 -0.0412 C.ar 1 UNL1 0.1208 29 C -4.6352 -0.9653 0.1983 C.ar 1 UNL1 -0.0574 30 C -6.8717 -1.8190 0.4208 C.ar 1 UNL1 0.0954 31 C -7.1858 -0.7372 1.2758 C.ar 1 UNL1 0.2111 32 O -0.6727 -1.2252 -1.5344 O.2 1 UNL1 -0.5537 33 O 3.3144 1.9144 2.8740 O.3 1 UNL1 -0.5475 34 O 9.3949 -1.3734 0.2378 O.3 1 UNL1 -0.4517 35 O -4.0164 2.9041 -0.1528 O.3 1 UNL1 -0.4599 36 O -8.4117 -0.5753 1.8317 O.3 1 UNL1 -0.4486 37 C -0.8794 -0.9396 -0.3766 C.2 1 UNL1 0.6226 38 O 0.1155 -0.6222 0.4862 O.3 1 UNL1 -0.4122 39 O 7.2930 -3.0565 0.1327 O.3 1 UNL1 -0.3435 40 O -2.9877 1.8676 -2.4257 O.3 1 UNL1 -0.3439 41 O -7.9088 -2.6900 0.2454 O.3 1 UNL1 -0.3446 42 C -2.1759 -0.8687 0.3054 C.2 1 UNL1 -0.2915 43 C -3.3032 -1.0895 -0.3854 C.2 1 UNL1 -0.0238 44 H -0.2615 1.5020 -2.3724 H 1 UNL1 0.1695 45 H 0.1111 3.1143 1.6003 H 1 UNL1 0.1636 46 H -2.3536 3.4861 1.6970 H 1 UNL1 0.1753 47 H 2.0828 2.9644 -0.1269 H 1 UNL1 0.1555 48 H 1.8855 1.8371 -1.4681 H 1 UNL1 0.1458 49 H 1.4572 1.0542 1.4999 H 1 UNL1 0.1824 50 H 3.6786 -0.1555 1.2746 H 1 UNL1 0.1458 51 H 1.4373 -0.5144 -1.1459 H 1 UNL1 0.1499 52 H 1.9931 -1.3313 0.3594 H 1 UNL1 0.1295 53 H 3.7107 0.2055 -1.3663 H 1 UNL1 0.1567 54 H 4.3215 1.8140 -1.0131 H 1 UNL1 0.1533 55 H 5.0401 1.9420 1.7478 H 1 UNL1 0.1244 56 H 3.6390 2.9496 1.2228 H 1 UNL1 0.1411 57 H 6.6382 2.1023 -0.4170 H 1 UNL1 0.1578 58 H 8.8924 1.1118 -0.0391 H 1 UNL1 0.1771 59 H 4.8661 -1.8173 -0.3210 H 1 UNL1 0.1654 60 H 6.7350 -4.9441 0.0573 H 1 UNL1 0.1527 61 H 5.4447 -3.8410 0.6637 H 1 UNL1 0.1360 62 H 5.8408 -3.8926 -1.1028 H 1 UNL1 0.1367 63 H -3.4671 0.7581 -3.9850 H 1 UNL1 0.1485 64 H -1.8299 1.5066 -4.1026 H 1 UNL1 0.1331 65 H -2.0920 0.0761 -3.0314 H 1 UNL1 0.1536 66 H -2.1559 -0.6040 1.3630 H 1 UNL1 0.1929 67 H -3.2722 -1.3749 -1.4450 H 1 UNL1 0.1661 68 H -5.3451 -2.7526 -0.7839 H 1 UNL1 0.1642 69 H -6.4862 1.0554 2.2356 H 1 UNL1 0.1821 70 H -4.1949 0.8605 1.2693 H 1 UNL1 0.1793 71 H -8.7419 -4.1460 -0.7882 H 1 UNL1 0.1523 72 H -7.5796 -3.1642 -1.7556 H 1 UNL1 0.1352 73 H -6.9700 -4.3639 -0.5444 H 1 UNL1 0.1354 @BOND 1 64 17 1 2 63 17 1 3 17 65 1 4 17 40 1 5 40 24 1 6 44 3 1 7 72 18 1 8 32 37 2 9 3 24 ar 10 3 25 ar 11 48 12 1 12 67 43 1 13 24 23 ar 14 53 14 1 15 51 13 1 16 62 16 1 17 54 14 1 18 21 35 1 19 18 71 1 20 18 73 1 21 18 41 1 22 68 9 1 23 14 26 1 24 14 2 1 25 12 25 1 26 12 47 1 27 12 1 1 28 57 6 1 29 25 4 ar 30 43 29 1 31 43 42 2 32 26 6 ar 33 26 8 ar 34 37 42 1 35 37 38 1 36 59 8 1 37 6 7 ar 38 23 35 1 39 23 5 ar 40 8 28 ar 41 9 29 ar 42 9 30 ar 43 7 58 1 44 7 27 ar 45 16 60 1 46 16 39 1 47 16 61 1 48 13 52 1 49 13 38 1 50 13 1 1 51 28 27 ar 52 28 39 1 53 27 34 1 54 29 11 ar 55 34 20 1 56 41 30 1 57 42 66 1 58 30 31 ar 59 1 2 1 60 1 49 1 61 2 50 1 62 2 15 1 63 4 5 ar 64 4 45 1 65 5 46 1 66 11 70 1 67 11 10 ar 68 56 15 1 69 31 10 ar 70 31 36 1 71 22 36 1 72 10 69 1 73 15 55 1 74 15 33 1 75 33 19 1