@MOLECULE (3s,4e)-6-(4,6-dimethoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-3-hydroxy-4-methyl-4-hexenoic acid 47 48 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.9063 -0.2764 -1.7358 O.3 1 UNL1111111111 -0.3936 2 O -1.9350 2.3219 0.3015 O.3 1 UNL1111111111 -0.3227 3 O -0.0348 -1.9113 1.2878 O.3 1 UNL1111111111 -0.3386 4 O 4.6332 1.6610 0.6536 O.3 1 UNL1111111111 -0.5576 5 O -4.7065 1.9089 -1.3509 O.2 1 UNL1111111111 -0.4224 6 O 5.7979 -1.4005 -1.9101 O.3 1 UNL1111111111 -0.5793 7 O 5.2450 0.7106 -2.3722 O.2 1 UNL1111111111 -0.4968 8 C -3.0338 -1.0922 -0.5837 C.ar 1 UNL1111111111 -0.0056 9 C -1.0201 0.2107 0.8319 C.ar 1 UNL1111111111 -0.1400 10 C -3.0497 0.3151 -0.4793 C.ar 1 UNL1111111111 -0.2840 11 C -2.0598 -1.8637 0.0152 C.ar 1 UNL1111111111 -0.0719 12 C -2.0437 0.9627 0.2167 C.ar 1 UNL1111111111 0.2776 13 C -1.0551 -1.1777 0.7292 C.ar 1 UNL1111111111 0.2212 14 C 0.0771 0.9104 1.5605 C.3 1 UNL1111111111 -0.2516 15 C -4.2313 -1.4981 -1.3940 C.3 1 UNL1111111111 -0.0408 16 C -4.2400 0.8195 -1.1948 C.2 1 UNL1111111111 0.6150 17 C 1.2654 1.0336 0.6609 C.2 1 UNL1111111111 -0.1583 18 C 2.5071 0.6427 0.9638 C.2 1 UNL1111111111 -0.0588 19 C -2.0403 -3.3448 -0.0594 C.3 1 UNL1111111111 -0.4278 20 C 3.6346 0.8961 -0.0102 C.3 1 UNL1111111111 0.1645 21 C 4.3681 -0.4003 -0.3787 C.3 1 UNL1111111111 -0.3771 22 C 2.9208 -0.0051 2.2376 C.3 1 UNL1111111111 -0.4382 23 C -2.9183 2.8949 1.1625 C.3 1 UNL1111111111 -0.1952 24 C -0.3066 -2.2976 2.6344 C.3 1 UNL1111111111 -0.1946 25 C 5.1450 -0.2341 -1.6384 C.2 1 UNL1111111111 0.6589 26 H 0.3269 0.3731 2.5016 H 1 UNL1111111111 0.1524 27 H -0.2477 1.9340 1.8672 H 1 UNL1111111111 0.1708 28 H -3.9653 -1.9759 -2.3573 H 1 UNL1111111111 0.1634 29 H -4.9639 -2.0980 -0.8281 H 1 UNL1111111111 0.1578 30 H 1.0292 1.4984 -0.2969 H 1 UNL1111111111 0.1602 31 H -2.5106 -3.7252 -0.9767 H 1 UNL1111111111 0.1566 32 H -1.0114 -3.7408 -0.0456 H 1 UNL1111111111 0.1724 33 H -2.5682 -3.7961 0.7939 H 1 UNL1111111111 0.1567 34 H 3.3061 1.4544 -0.9180 H 1 UNL1111111111 0.1443 35 H 5.0691 -0.6701 0.4497 H 1 UNL1111111111 0.2046 36 H 3.6661 -1.2553 -0.4567 H 1 UNL1111111111 0.1922 37 H 3.0483 -1.0890 2.0997 H 1 UNL1111111111 0.1551 38 H 3.8836 0.3974 2.5947 H 1 UNL1111111111 0.1694 39 H 2.1967 0.1330 3.0485 H 1 UNL1111111111 0.1431 40 H -3.9288 2.6714 0.8056 H 1 UNL1111111111 0.1523 41 H -2.7662 2.5430 2.1845 H 1 UNL1111111111 0.1238 42 H -2.7215 3.9694 1.0787 H 1 UNL1111111111 0.1568 43 H 0.6956 -2.5031 3.0316 H 1 UNL1111111111 0.1506 44 H -0.9269 -3.1952 2.6308 H 1 UNL1111111111 0.1315 45 H -0.7880 -1.5030 3.2105 H 1 UNL1111111111 0.1307 46 H 4.3096 2.5643 0.8292 H 1 UNL1111111111 0.3196 47 H 6.3483 -1.3657 -2.7253 H 1 UNL1111111111 0.3538 @BOND 1 1 15 1 2 1 16 1 3 2 12 1 4 2 23 1 5 3 13 1 6 3 24 1 7 4 20 1 8 4 46 1 9 5 16 2 10 6 25 1 11 6 47 1 12 7 25 2 13 8 10 ar 14 8 11 ar 15 8 15 1 16 9 12 ar 17 9 13 ar 18 9 14 1 19 10 12 ar 20 10 16 1 21 11 13 ar 22 11 19 1 23 14 17 1 24 14 26 1 25 14 27 1 26 15 28 1 27 15 29 1 28 17 18 2 29 17 30 1 30 18 20 1 31 18 22 1 32 19 31 1 33 19 32 1 34 19 33 1 35 20 21 1 36 20 34 1 37 21 25 1 38 21 35 1 39 21 36 1 40 22 37 1 41 22 38 1 42 22 39 1 43 23 40 1 44 23 41 1 45 23 42 1 46 24 43 1 47 24 44 1 48 24 45 1