@MOLECULE (3s)-7-hydroxy-3-octyl-2-benzofuran-1(3h)-one 41 42 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.3920 -1.2653 0.7202 O.3 1 UNL11111111 -0.1876 2 O -2.9459 -2.6868 -0.0694 O.2 1 UNL11111111 -0.2478 3 O -5.4556 -1.0266 -0.9241 O.3 1 UNL11111111 -0.2596 4 C -0.0552 0.6226 0.0751 C.3 1 UNL11111111 -0.3271 5 C -1.2473 0.1685 0.9098 C.3 1 UNL11111111 -0.0513 6 C 1.2478 0.0509 0.6438 C.3 1 UNL11111111 -0.3301 7 C 2.4456 0.4962 -0.2032 C.3 1 UNL11111111 -0.4228 8 C 3.7526 -0.0543 0.3809 C.3 1 UNL11111111 -0.1780 9 C -2.5526 0.7621 0.4414 C.ar 1 UNL11111111 0.0540 10 C 4.9553 0.3992 -0.4563 C.3 1 UNL11111111 -0.4697 11 C 6.2573 -0.1758 0.1153 C.3 1 UNL11111111 -0.2934 12 C -3.3633 -0.3031 0.0023 C.ar 1 UNL11111111 -0.1178 13 C -2.6270 -1.5558 0.1761 C.2 1 UNL11111111 0.1740 14 C 7.4642 0.2628 -0.7246 C.3 1 UNL11111111 -0.1498 15 C -2.9970 2.0619 0.3923 C.ar 1 UNL11111111 -0.3587 16 C -4.6340 -0.0569 -0.4917 C.ar 1 UNL11111111 0.0764 17 C -4.2927 2.2994 -0.1142 C.ar 1 UNL11111111 -0.0878 18 C -5.1091 1.2710 -0.5526 C.ar 1 UNL11111111 -0.2569 19 C 8.7584 -0.3334 -0.1706 C.3 1 UNL11111111 -0.7765 20 H -0.1845 0.2936 -0.9766 H 1 UNL11111111 0.2082 21 H -0.0146 1.7285 0.0460 H 1 UNL11111111 0.1653 22 H -1.0849 0.2859 2.0034 H 1 UNL11111111 0.1940 23 H 1.3849 0.3705 1.6932 H 1 UNL11111111 0.1742 24 H 1.1887 -1.0570 0.6690 H 1 UNL11111111 0.2023 25 H 2.4892 1.5998 -0.2533 H 1 UNL11111111 0.1850 26 H 2.3231 0.1481 -1.2464 H 1 UNL11111111 0.1835 27 H 3.7133 -1.1596 0.4188 H 1 UNL11111111 0.1367 28 H 3.8732 0.2807 1.4277 H 1 UNL11111111 0.1334 29 H 4.8288 0.0775 -1.5070 H 1 UNL11111111 0.1905 30 H 5.0068 1.5032 -0.4810 H 1 UNL11111111 0.1828 31 H 6.2018 -1.2801 0.1465 H 1 UNL11111111 0.1655 32 H 6.3887 0.1500 1.1636 H 1 UNL11111111 0.1634 33 H 7.5328 1.3667 -0.7414 H 1 UNL11111111 0.1325 34 H 7.3258 -0.0484 -1.7773 H 1 UNL11111111 0.1346 35 H -2.3821 2.8904 0.7282 H 1 UNL11111111 0.2402 36 H -4.6553 3.3288 -0.1586 H 1 UNL11111111 0.1888 37 H -6.1070 1.4592 -0.9428 H 1 UNL11111111 0.2311 38 H 8.9380 -0.0124 0.8614 H 1 UNL11111111 0.2240 39 H 9.6243 -0.0255 -0.7667 H 1 UNL11111111 0.2212 40 H 8.7283 -1.4289 -0.1748 H 1 UNL11111111 0.2252 41 H -5.0264 -1.9322 -0.8396 H 1 UNL11111111 0.3279 @BOND 1 1 5 1 2 1 13 1 3 2 13 2 4 3 16 1 5 3 41 1 6 4 5 1 7 4 6 1 8 4 20 1 9 4 21 1 10 5 9 1 11 5 22 1 12 6 7 1 13 6 23 1 14 6 24 1 15 7 8 1 16 7 25 1 17 7 26 1 18 8 10 1 19 8 27 1 20 8 28 1 21 9 12 ar 22 9 15 ar 23 10 11 1 24 10 29 1 25 10 30 1 26 11 14 1 27 11 31 1 28 11 32 1 29 12 13 1 30 12 16 ar 31 14 19 1 32 14 33 1 33 14 34 1 34 15 17 ar 35 15 35 1 36 16 18 ar 37 17 18 ar 38 17 36 1 39 18 37 1 40 19 38 1 41 19 39 1 42 19 40 1