@MOLECULE 7-[4-(2-hydroxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]-2-heptenoic acid 50 51 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.7762 0.6803 0.1247 O.3 1 UNL1111111111 -0.4673 2 O -2.8207 2.7819 0.4551 O.3 1 UNL1111111111 -0.4530 3 O -1.6792 -1.9091 -2.0411 O.3 1 UNL1111111111 -0.4871 4 O 8.4101 0.0799 0.8220 O.3 1 UNL1111111111 -0.5572 5 O 7.5209 -0.4120 -1.1594 O.2 1 UNL1111111111 -0.5211 6 C -1.3664 0.8682 0.1892 C.3 1 UNL1111111111 -0.2062 7 C -2.5808 0.1288 -0.4142 C.3 1 UNL1111111111 0.1356 8 C -0.0549 0.3816 -0.4307 C.3 1 UNL1111111111 -0.2835 9 C -1.5735 2.3681 -0.0595 C.3 1 UNL1111111111 -0.0277 10 C -3.9421 2.0728 -0.0276 C.3 1 UNL1111111111 0.5078 11 C 1.1560 0.8431 0.3891 C.3 1 UNL1111111111 -0.2661 12 C -2.6211 -1.3093 0.0136 C.ar 1 UNL1111111111 -0.1336 13 C 2.4586 0.3478 -0.2512 C.3 1 UNL1111111111 -0.2613 14 C -4.2467 2.4355 -1.4809 C.3 1 UNL1111111111 -0.5299 15 C -5.0681 2.4272 0.9458 C.3 1 UNL1111111111 -0.4763 16 C -2.1641 -2.3234 -0.8378 C.ar 1 UNL1111111111 0.2738 17 C -3.1214 -1.6737 1.2602 C.ar 1 UNL1111111111 -0.0629 18 C 3.6719 0.8276 0.5569 C.3 1 UNL1111111111 -0.3080 19 C -2.1859 -3.6687 -0.4725 C.ar 1 UNL1111111111 -0.3055 20 C -3.1551 -3.0153 1.6452 C.ar 1 UNL1111111111 -0.2205 21 C -2.6883 -4.0050 0.7835 C.ar 1 UNL1111111111 -0.0721 22 C 4.9577 0.3915 -0.0541 C.2 1 UNL1111111111 0.0020 23 C 6.1148 0.4000 0.6226 C.2 1 UNL1111111111 -0.3363 24 C 7.3527 -0.0193 -0.0309 C.2 1 UNL1111111111 0.6528 25 H -1.3614 0.6838 1.2906 H 1 UNL1111111111 0.1640 26 H -2.6154 0.2307 -1.5238 H 1 UNL1111111111 0.1426 27 H 0.0306 0.7284 -1.4776 H 1 UNL1111111111 0.1443 28 H -0.0607 -0.7267 -0.4933 H 1 UNL1111111111 0.1566 29 H -1.5049 2.6325 -1.1284 H 1 UNL1111111111 0.1187 30 H -0.8631 2.9899 0.5162 H 1 UNL1111111111 0.1398 31 H 1.0737 0.4653 1.4262 H 1 UNL1111111111 0.1403 32 H 1.1664 1.9461 0.4673 H 1 UNL1111111111 0.1360 33 H 2.5267 0.7077 -1.2955 H 1 UNL1111111111 0.1409 34 H 2.4545 -0.7577 -0.3104 H 1 UNL1111111111 0.1438 35 H -4.7652 2.2054 1.9784 H 1 UNL1111111111 0.1693 36 H -3.4263 2.1741 -2.1558 H 1 UNL1111111111 0.1563 37 H -4.4267 3.5116 -1.5812 H 1 UNL1111111111 0.1628 38 H -5.1392 1.9018 -1.8294 H 1 UNL1111111111 0.1669 39 H -5.9678 1.8406 0.7284 H 1 UNL1111111111 0.1644 40 H -5.3125 3.4928 0.8913 H 1 UNL1111111111 0.1595 41 H -3.4967 -0.8979 1.9325 H 1 UNL1111111111 0.1705 42 H 3.6597 1.9388 0.6319 H 1 UNL1111111111 0.1657 43 H 3.5899 0.4706 1.6062 H 1 UNL1111111111 0.1624 44 H -1.8241 -4.4359 -1.1469 H 1 UNL1111111111 0.1587 45 H -3.5504 -3.2854 2.6212 H 1 UNL1111111111 0.1562 46 H -2.7163 -5.0500 1.0897 H 1 UNL1111111111 0.1475 47 H 4.9149 0.0698 -1.1015 H 1 UNL1111111111 0.1654 48 H -1.4423 -2.6678 -2.6263 H 1 UNL1111111111 0.3307 49 H 6.2042 0.7091 1.6637 H 1 UNL1111111111 0.1880 50 H 9.2667 -0.1960 0.4135 H 1 UNL1111111111 0.3526 @BOND 1 1 7 1 2 1 10 1 3 2 9 1 4 2 10 1 5 3 16 1 6 3 48 1 7 4 24 1 8 4 50 1 9 5 24 2 10 6 7 1 11 6 8 1 12 6 9 1 13 6 25 1 14 7 12 1 15 7 26 1 16 8 11 1 17 8 27 1 18 8 28 1 19 9 29 1 20 9 30 1 21 10 14 1 22 10 15 1 23 11 13 1 24 11 31 1 25 11 32 1 26 12 16 ar 27 12 17 ar 28 13 18 1 29 13 33 1 30 13 34 1 31 14 36 1 32 14 37 1 33 14 38 1 34 15 35 1 35 15 39 1 36 15 40 1 37 16 19 ar 38 17 20 ar 39 17 41 1 40 18 22 1 41 18 42 1 42 18 43 1 43 19 21 ar 44 19 44 1 45 20 21 ar 46 20 45 1 47 21 46 1 48 22 23 2 49 22 47 1 50 23 24 1 51 23 49 1