@MOLECULE n-{2-methyl-5-[(6-phenyl-4-pyrimidinyl)amino]phenyl}methanesulfonamide 43 45 0 0 0 SMALL GASTEIGER @ATOM 1 C 3.6298 -2.0690 0.0866 C.ar 1 UNL1111111111 -0.1183 2 C 2.4960 -2.8459 0.2919 C.ar 1 UNL1111111111 -0.0807 3 C 1.2156 -2.2962 0.2901 C.ar 1 UNL1111111111 -0.2607 4 C 1.0655 -0.9309 0.0505 C.ar 1 UNL1111111111 0.2582 5 C 2.1957 -0.1195 -0.1680 C.ar 1 UNL1111111111 -0.3722 6 C 3.4752 -0.6769 -0.1328 C.ar 1 UNL1111111111 0.2754 7 N -0.1724 -0.2449 0.0349 N.pl3 1 UNL1111111111 -0.4800 8 C -1.4454 -0.7761 0.0114 C.ar 1 UNL1111111111 0.4460 9 C -2.5539 0.1151 -0.0071 C.ar 1 UNL1111111111 -0.4453 10 C -3.8314 -0.4469 -0.0081 C.ar 1 UNL1111111111 0.2887 11 N -4.0128 -1.7938 -0.0170 N.ar 1 UNL1111111111 -0.4970 12 C -2.9121 -2.5723 -0.0019 C.ar 1 UNL1111111111 0.2868 13 N -1.6391 -2.1244 0.0185 N.ar 1 UNL1111111111 -0.5304 14 C -5.0428 0.3895 -0.0016 C.ar 1 UNL1111111111 -0.0550 15 C -6.1348 0.0455 -0.8028 C.ar 1 UNL1111111111 -0.0935 16 C -7.2751 0.8455 -0.8006 C.ar 1 UNL1111111111 -0.1596 17 C -7.3308 1.9795 0.0079 C.ar 1 UNL1111111111 -0.1267 18 C -6.2462 2.3149 0.8176 C.ar 1 UNL1111111111 -0.1559 19 C -5.1012 1.5227 0.8147 C.ar 1 UNL1111111111 -0.1281 20 C 4.9781 -2.7053 0.1052 C.3 1 UNL1111111111 -0.4338 21 N 4.6272 0.1134 -0.2787 N.pl3 1 UNL1111111111 -0.8721 22 S 4.7232 1.8520 -0.1700 S.O2 1 UNL1111111111 2.4033 23 C 4.6466 2.1442 1.5742 C.3 1 UNL1111111111 -0.7538 24 O 6.0551 2.1252 -0.6513 O.2 1 UNL1111111111 -0.9025 25 O 3.5605 2.4451 -0.7767 O.2 1 UNL1111111111 -0.9025 26 H 2.6024 -3.9184 0.4642 H 1 UNL1111111111 0.1512 27 H 0.3550 -2.9436 0.4662 H 1 UNL1111111111 0.2047 28 H 2.0497 0.9346 -0.4127 H 1 UNL1111111111 0.2006 29 H -0.1038 0.7688 -0.0812 H 1 UNL1111111111 0.3234 30 H -2.4167 1.1878 -0.0271 H 1 UNL1111111111 0.1859 31 H -3.0580 -3.6652 -0.0049 H 1 UNL1111111111 0.1951 32 H -6.0907 -0.8548 -1.4190 H 1 UNL1111111111 0.1710 33 H -8.1240 0.5802 -1.4276 H 1 UNL1111111111 0.1530 34 H -8.2233 2.6025 0.0100 H 1 UNL1111111111 0.1479 35 H -6.2941 3.1957 1.4544 H 1 UNL1111111111 0.1508 36 H -4.2594 1.7799 1.4559 H 1 UNL1111111111 0.1549 37 H 5.4588 -2.6663 -0.8837 H 1 UNL1111111111 0.1525 38 H 5.6487 -2.2202 0.8298 H 1 UNL1111111111 0.1531 39 H 4.9335 -3.7670 0.3860 H 1 UNL1111111111 0.1528 40 H 5.4446 -0.3619 -0.6606 H 1 UNL1111111111 0.3297 41 H 5.6468 2.1873 2.0279 H 1 UNL1111111111 0.1937 42 H 4.1491 3.0978 1.8024 H 1 UNL1111111111 0.1945 43 H 4.0868 1.3654 2.1118 H 1 UNL1111111111 0.1948 @BOND 1 1 2 ar 2 1 6 ar 3 1 20 1 4 2 3 ar 5 2 26 1 6 3 4 ar 7 3 27 1 8 4 5 ar 9 4 7 1 10 5 6 ar 11 5 28 1 12 6 21 1 13 7 8 1 14 7 29 1 15 8 9 ar 16 8 13 ar 17 9 10 ar 18 9 30 1 19 10 11 ar 20 10 14 1 21 11 12 ar 22 12 13 ar 23 12 31 1 24 14 15 ar 25 14 19 ar 26 15 16 ar 27 15 32 1 28 16 17 ar 29 16 33 1 30 17 18 ar 31 17 34 1 32 18 19 ar 33 18 35 1 34 19 36 1 35 20 37 1 36 20 38 1 37 20 39 1 38 21 22 1 39 21 40 1 40 22 23 1 41 22 24 2 42 22 25 2 43 23 41 1 44 23 42 1 45 23 43 1