@MOLECULE 4-[(3r,4s)-4-(4-hydroxy-3-iodophenyl)-3-hexanyl]-2-iodophenol 42 43 0 0 0 SMALL GASTEIGER @ATOM 1 I -5.5348 -0.8309 0.1017 I 1 UNL1111 -0.0029 2 I 5.5693 0.7578 -0.0254 I 1 UNL1111 0.0218 3 O -5.4048 2.5404 -0.5779 O.3 1 UNL1111 -0.4573 4 O 5.3812 -2.4279 0.5395 O.3 1 UNL1111 -0.4558 5 C -0.2141 0.5994 0.4656 C.3 1 UNL1111 -0.1173 6 C 0.2050 -0.4725 -0.5779 C.3 1 UNL1111 -0.1186 7 C -0.1061 0.0446 1.9009 C.3 1 UNL1111 -0.2548 8 C 0.1532 0.1195 -2.0017 C.3 1 UNL1111 -0.2537 9 C -1.6190 1.0641 0.1910 C.ar 1 UNL1111 -0.0458 10 C 1.5848 -0.9905 -0.2769 C.ar 1 UNL1111 -0.0485 11 C -0.3800 1.1361 2.9341 C.3 1 UNL1111 -0.4350 12 C 0.4239 -0.9489 -3.0588 C.3 1 UNL1111 -0.4356 13 C -2.6875 0.1719 0.2443 C.ar 1 UNL1111 -0.1156 14 C 2.6861 -0.1305 -0.2824 C.ar 1 UNL1111 -0.1172 15 C -1.8566 2.4110 -0.1145 C.ar 1 UNL1111 -0.1090 16 C 1.7672 -2.3462 0.0081 C.ar 1 UNL1111 -0.0989 17 C -3.9898 0.6066 -0.0056 C.ar 1 UNL1111 -0.2126 18 C 3.9617 -0.6119 -0.0045 C.ar 1 UNL1111 -0.1589 19 C -3.1429 2.8571 -0.3638 C.ar 1 UNL1111 -0.2240 20 C 3.0346 -2.8432 0.2863 C.ar 1 UNL1111 -0.2901 21 C -4.2149 1.9497 -0.3092 C.ar 1 UNL1111 0.2699 22 C 4.1292 -1.9723 0.2766 C.ar 1 UNL1111 0.2681 23 H 0.4914 1.4637 0.3793 H 1 UNL1111 0.1484 24 H -0.5294 -1.3151 -0.5273 H 1 UNL1111 0.1469 25 H 0.9069 -0.3752 2.0629 H 1 UNL1111 0.1463 26 H -0.8054 -0.7993 2.0421 H 1 UNL1111 0.1361 27 H -0.8422 0.5741 -2.1779 H 1 UNL1111 0.1457 28 H 0.8817 0.9451 -2.1007 H 1 UNL1111 0.1370 29 H 0.3485 1.9511 2.8618 H 1 UNL1111 0.1429 30 H -1.3776 1.5727 2.8021 H 1 UNL1111 0.1483 31 H -0.3288 0.7382 3.9535 H 1 UNL1111 0.1422 32 H -0.3238 -1.7485 -3.0251 H 1 UNL1111 0.1421 33 H 0.4032 -0.5208 -4.0672 H 1 UNL1111 0.1425 34 H 1.4084 -1.4117 -2.9191 H 1 UNL1111 0.1484 35 H -2.4852 -0.8738 0.4880 H 1 UNL1111 0.1666 36 H 2.5242 0.9257 -0.5110 H 1 UNL1111 0.1679 37 H -1.0235 3.1143 -0.1548 H 1 UNL1111 0.1618 38 H 0.9115 -3.0224 0.0124 H 1 UNL1111 0.1595 39 H -3.3490 3.9005 -0.6020 H 1 UNL1111 0.1825 40 H 3.1744 -3.8973 0.5083 H 1 UNL1111 0.1654 41 H -6.1790 1.9304 -0.5456 H 1 UNL1111 0.3298 42 H 5.3905 -3.3998 0.7243 H 1 UNL1111 0.3315 @BOND 1 1 17 1 2 2 18 1 3 3 21 1 4 3 41 1 5 4 22 1 6 4 42 1 7 5 6 1 8 5 7 1 9 5 9 1 10 5 23 1 11 6 8 1 12 6 10 1 13 6 24 1 14 7 11 1 15 7 25 1 16 7 26 1 17 8 12 1 18 8 27 1 19 8 28 1 20 9 13 ar 21 9 15 ar 22 10 14 ar 23 10 16 ar 24 11 29 1 25 11 30 1 26 11 31 1 27 12 32 1 28 12 33 1 29 12 34 1 30 13 17 ar 31 13 35 1 32 14 18 ar 33 14 36 1 34 15 19 ar 35 15 37 1 36 16 20 ar 37 16 38 1 38 17 21 ar 39 18 22 ar 40 19 21 ar 41 19 39 1 42 20 22 ar 43 20 40 1