@MOLECULE 5-(5-iodo-2-isopropyl-4-methoxyphenoxy)-2,4-pyrimidinediamine 38 39 0 0 0 SMALL GASTEIGER @ATOM 1 I 2.2160 2.0522 -0.0352 I 1 UNL1111111111 0.0202 2 O -1.9278 -1.4533 -0.6006 O.3 1 UNL1111111111 -0.2282 3 O 3.4668 -0.8696 0.2949 O.3 1 UNL1111111111 -0.3017 4 N -4.1302 0.9134 1.1304 N.ar 1 UNL1111111111 -0.6222 5 N -4.1160 1.3705 -1.2750 N.ar 1 UNL1111111111 -0.5529 6 N -2.8062 -0.7754 2.0255 N.pl3 1 UNL1111111111 -0.5709 7 N -5.4509 2.5986 0.2061 N.pl3 1 UNL1111111111 -0.5770 8 C -0.5249 -3.7675 -0.2312 C.3 1 UNL1111111111 -0.0629 9 C 0.1530 -2.4256 -0.1760 C.ar 1 UNL1111111111 -0.0047 10 C -0.5846 -1.2459 -0.3535 C.ar 1 UNL1111111111 0.0977 11 C -0.2008 -4.5908 1.0224 C.3 1 UNL1111111111 -0.4458 12 C -0.0882 -4.5100 -1.5009 C.3 1 UNL1111111111 -0.4422 13 C 1.5231 -2.3102 0.0380 C.ar 1 UNL1111111111 -0.2648 14 C 2.1347 -1.0533 0.0852 C.ar 1 UNL1111111111 0.2015 15 C 0.0077 0.0124 -0.3185 C.ar 1 UNL1111111111 -0.1891 16 C 1.3762 0.1130 -0.0928 C.ar 1 UNL1111111111 -0.1300 17 C -2.7356 -0.3657 -0.3829 C.ar 1 UNL1111111111 -0.2169 18 C -3.2195 -0.0815 0.9286 C.ar 1 UNL1111111111 0.4557 19 C -3.2162 0.3906 -1.4518 C.ar 1 UNL1111111111 0.1720 20 C 4.2607 -2.0220 0.5351 C.3 1 UNL1111111111 -0.1999 21 C -4.5409 1.5980 0.0180 C.ar 1 UNL1111111111 0.5624 22 H -1.6387 -3.6301 -0.2757 H 1 UNL1111111111 0.1579 23 H -0.4404 -4.0353 1.9351 H 1 UNL1111111111 0.1428 24 H 0.8588 -4.8629 1.0696 H 1 UNL1111111111 0.1440 25 H -0.7773 -5.5225 1.0378 H 1 UNL1111111111 0.1462 26 H -0.3110 -3.9172 -2.3972 H 1 UNL1111111111 0.1543 27 H -0.6123 -5.4667 -1.5976 H 1 UNL1111111111 0.1445 28 H 0.9866 -4.7166 -1.5024 H 1 UNL1111111111 0.1436 29 H 2.1132 -3.2147 0.1656 H 1 UNL1111111111 0.1710 30 H -0.6147 0.8982 -0.4690 H 1 UNL1111111111 0.1865 31 H -2.8802 0.2115 -2.4828 H 1 UNL1111111111 0.1895 32 H 4.2690 -2.6831 -0.3369 H 1 UNL1111111111 0.1352 33 H 3.9347 -2.5457 1.4388 H 1 UNL1111111111 0.1339 34 H 5.2550 -1.5766 0.6881 H 1 UNL1111111111 0.1574 35 H -2.1301 -1.5058 1.9330 H 1 UNL1111111111 0.3226 36 H -3.1458 -0.5375 2.9358 H 1 UNL1111111111 0.3223 37 H -5.7928 2.8039 1.1222 H 1 UNL1111111111 0.3228 38 H -5.7794 3.1303 -0.5743 H 1 UNL1111111111 0.3255 @BOND 1 1 16 1 2 2 10 1 3 2 17 1 4 3 14 1 5 3 20 1 6 4 18 ar 7 4 21 ar 8 5 19 ar 9 5 21 ar 10 6 18 1 11 6 35 1 12 6 36 1 13 7 21 1 14 7 37 1 15 7 38 1 16 8 9 1 17 8 11 1 18 8 12 1 19 8 22 1 20 9 10 ar 21 9 13 ar 22 10 15 ar 23 11 23 1 24 11 24 1 25 11 25 1 26 12 26 1 27 12 27 1 28 12 28 1 29 13 14 ar 30 13 29 1 31 14 16 ar 32 15 16 ar 33 15 30 1 34 17 18 ar 35 17 19 ar 36 19 31 1 37 20 32 1 38 20 33 1 39 20 34 1