@MOLECULE 14-(2-iodophenyl)-3-methyltetradecanoic acid 57 57 0 0 0 SMALL GASTEIGER @ATOM 1 I -5.5868 -1.6742 -0.3265 I 1 UNL1111 -0.0237 2 O 11.0355 -2.5896 1.0845 O.3 1 UNL1111 -0.5771 3 O 11.3185 -0.5020 1.7986 O.2 1 UNL1111 -0.5099 4 C 5.7279 0.9325 -0.9337 C.3 1 UNL1111 -0.2737 5 C 4.4814 0.8096 -0.0480 C.3 1 UNL1111 -0.2734 6 C 7.0013 0.6854 -0.1148 C.3 1 UNL1111 -0.2701 7 C 3.2091 1.0416 -0.8722 C.3 1 UNL1111 -0.2747 8 C 8.2445 0.7964 -1.0060 C.3 1 UNL1111 -0.2917 9 C 1.9603 0.9514 0.0143 C.3 1 UNL1111 -0.2725 10 C 9.5384 0.5181 -0.2203 C.3 1 UNL1111 -0.0615 11 C 0.6934 1.1808 -0.8194 C.3 1 UNL1111 -0.2744 12 C -0.5613 1.1176 0.0605 C.3 1 UNL1111 -0.2708 13 C -1.8225 1.3229 -0.7885 C.3 1 UNL1111 -0.2683 14 C 9.6824 -0.9912 0.0478 C.3 1 UNL1111 -0.3654 15 C -3.0794 1.2665 0.0873 C.3 1 UNL1111 -0.2593 16 C 10.7495 1.0312 -1.0062 C.3 1 UNL1111 -0.4603 17 C -4.3391 1.4708 -0.7703 C.3 1 UNL1111 -0.2926 18 C 10.7460 -1.2577 1.0595 C.2 1 UNL1111 0.6512 19 C -5.5635 1.3884 0.0891 C.ar 1 UNL1111 0.0177 20 C -6.2319 0.2059 0.4084 C.ar 1 UNL1111 -0.0873 21 C -6.0567 2.5888 0.6199 C.ar 1 UNL1111 -0.1711 22 C -7.3591 0.2089 1.2300 C.ar 1 UNL1111 -0.1450 23 C -7.1819 2.6050 1.4357 C.ar 1 UNL1111 -0.1303 24 C -7.8352 1.4124 1.7419 C.ar 1 UNL1111 -0.1547 25 H 5.6689 0.2124 -1.7709 H 1 UNL1111 0.1360 26 H 5.7640 1.9352 -1.3988 H 1 UNL1111 0.1361 27 H 7.0642 1.4142 0.7157 H 1 UNL1111 0.1404 28 H 6.9523 -0.3113 0.3614 H 1 UNL1111 0.1349 29 H 4.4485 -0.1893 0.4255 H 1 UNL1111 0.1371 30 H 4.5334 1.5379 0.7827 H 1 UNL1111 0.1379 31 H 3.1472 0.2990 -1.6896 H 1 UNL1111 0.1364 32 H 3.2519 2.0312 -1.3642 H 1 UNL1111 0.1364 33 H 8.1640 0.1075 -1.8665 H 1 UNL1111 0.1397 34 H 8.2909 1.8123 -1.4449 H 1 UNL1111 0.1440 35 H 1.9159 -0.0368 0.5088 H 1 UNL1111 0.1375 36 H 2.0189 1.6963 0.8294 H 1 UNL1111 0.1370 37 H 9.4949 1.0566 0.7602 H 1 UNL1111 0.1536 38 H 0.7491 2.1609 -1.3288 H 1 UNL1111 0.1354 39 H 0.6295 0.4241 -1.6238 H 1 UNL1111 0.1369 40 H -0.5074 1.8849 0.8548 H 1 UNL1111 0.1370 41 H -0.6103 0.1432 0.5820 H 1 UNL1111 0.1396 42 H -1.7694 2.2928 -1.3169 H 1 UNL1111 0.1357 43 H -1.8758 0.5479 -1.5769 H 1 UNL1111 0.1399 44 H 9.8995 -1.5391 -0.8946 H 1 UNL1111 0.1837 45 H 8.7207 -1.4199 0.4087 H 1 UNL1111 0.1828 46 H -3.0329 2.0401 0.8771 H 1 UNL1111 0.1412 47 H -3.1265 0.2992 0.6211 H 1 UNL1111 0.1457 48 H 10.8436 0.5416 -1.9804 H 1 UNL1111 0.1435 49 H 11.6812 0.8582 -0.4510 H 1 UNL1111 0.1584 50 H 10.6818 2.1107 -1.1828 H 1 UNL1111 0.1480 51 H -4.2859 2.4576 -1.2781 H 1 UNL1111 0.1531 52 H -4.3609 0.7444 -1.6061 H 1 UNL1111 0.1587 53 H -5.5464 3.5237 0.3879 H 1 UNL1111 0.1596 54 H 11.7284 -2.8337 1.7433 H 1 UNL1111 0.3549 55 H -7.8829 -0.7140 1.4837 H 1 UNL1111 0.1645 56 H -7.5526 3.5476 1.8366 H 1 UNL1111 0.1557 57 H -8.7169 1.4200 2.3805 H 1 UNL1111 0.1575 @BOND 1 1 20 1 2 2 18 1 3 2 54 1 4 3 18 2 5 4 5 1 6 4 6 1 7 4 25 1 8 4 26 1 9 5 7 1 10 5 29 1 11 5 30 1 12 6 8 1 13 6 27 1 14 6 28 1 15 7 9 1 16 7 31 1 17 7 32 1 18 8 10 1 19 8 33 1 20 8 34 1 21 9 11 1 22 9 35 1 23 9 36 1 24 10 14 1 25 10 16 1 26 10 37 1 27 11 12 1 28 11 38 1 29 11 39 1 30 12 13 1 31 12 40 1 32 12 41 1 33 13 15 1 34 13 42 1 35 13 43 1 36 14 18 1 37 14 44 1 38 14 45 1 39 15 17 1 40 15 46 1 41 15 47 1 42 16 48 1 43 16 49 1 44 16 50 1 45 17 19 1 46 17 51 1 47 17 52 1 48 19 20 ar 49 19 21 ar 50 20 22 ar 51 21 23 ar 52 21 53 1 53 22 24 ar 54 22 55 1 55 23 24 ar 56 23 56 1 57 24 57 1