@MOLECULE 1-(2-aminobenzoyl)-3-(4-(5-bromopyrimidin-2-ylsulfanyl)phenyl)urea 41 43 0 0 0 SMALL GASTEIGER @ATOM 1 BR 8.2616 2.8137 1.6732 Br 1 UNL11 0.0078 2 S 4.9125 -1.7760 -1.1306 S.3 1 UNL11 0.1919 3 O -4.1242 -1.2490 1.4304 O.2 1 UNL11 -0.4578 4 O -1.5448 -1.3833 0.9556 O.2 1 UNL11 -0.4288 5 N -0.8169 -0.1574 -0.8594 N.am 1 UNL11 -0.6023 6 N -3.0330 0.0274 -0.1161 N.am 1 UNL11 -0.6688 7 N -6.7579 -1.5619 0.5612 N.pl3 1 UNL11 -0.6031 8 N 5.1391 0.6133 0.1424 N.ar 1 UNL11 -0.4373 9 N 7.1475 -0.6261 -0.2935 N.ar 1 UNL11 -0.4194 10 C 0.5304 -0.5719 -0.8643 C.ar 1 UNL11 0.2790 11 C -5.3916 0.4370 0.3352 C.ar 1 UNL11 -0.3306 12 C -6.6497 -0.2120 0.3257 C.ar 1 UNL11 0.3371 13 C 1.3144 -0.1428 -1.9552 C.ar 1 UNL11 -0.2898 14 C 1.1043 -1.3508 0.1496 C.ar 1 UNL11 -0.2487 15 C 3.2216 -1.2750 -1.0115 C.ar 1 UNL11 -0.1923 16 C -4.1757 -0.3419 0.6361 C.2 1 UNL11 0.6320 17 C 2.6565 -0.4923 -2.0188 C.ar 1 UNL11 -0.0273 18 C 2.4495 -1.6949 0.0713 C.ar 1 UNL11 -0.0285 19 C -5.3312 1.8170 0.1082 C.ar 1 UNL11 -0.0215 20 C -7.8142 0.5396 0.0171 C.ar 1 UNL11 -0.3193 21 C -1.7744 -0.5923 0.0805 C.2 1 UNL11 0.7236 22 C -6.4738 2.5441 -0.1762 C.ar 1 UNL11 -0.2703 23 C -7.7157 1.8926 -0.2327 C.ar 1 UNL11 -0.0156 24 C 5.8023 -0.4609 -0.3496 C.ar 1 UNL11 0.2446 25 C 5.8594 1.5804 0.7373 C.ar 1 UNL11 0.1243 26 C 7.8717 0.3376 0.2996 C.ar 1 UNL11 0.1209 27 C 7.2518 1.4733 0.8382 C.ar 1 UNL11 -0.2490 28 H 0.8801 0.4651 -2.7429 H 1 UNL11 0.1562 29 H 0.5177 -1.6867 1.0080 H 1 UNL11 0.2029 30 H -1.0952 0.4647 -1.6101 H 1 UNL11 0.3119 31 H 3.2569 -0.1435 -2.8628 H 1 UNL11 0.1600 32 H 2.8864 -2.2949 0.8754 H 1 UNL11 0.1660 33 H -4.3720 2.3346 0.1765 H 1 UNL11 0.1472 34 H -8.7782 0.0416 -0.0157 H 1 UNL11 0.1633 35 H -3.1416 0.7386 -0.8302 H 1 UNL11 0.3153 36 H -6.4186 3.6144 -0.3492 H 1 UNL11 0.1585 37 H -8.6112 2.4705 -0.4681 H 1 UNL11 0.1473 38 H -5.9677 -2.0550 0.9460 H 1 UNL11 0.3314 39 H -7.6531 -1.9854 0.6733 H 1 UNL11 0.3029 40 H 5.2894 2.4359 1.1278 H 1 UNL11 0.1939 41 H 8.9585 0.1733 0.3316 H 1 UNL11 0.1925 @BOND 1 1 27 1 2 2 15 1 3 2 24 1 4 3 16 2 5 4 21 2 6 5 10 1 7 5 21 am 8 5 30 1 9 6 16 am 10 6 21 am 11 6 35 1 12 7 12 1 13 7 38 1 14 7 39 1 15 8 24 ar 16 8 25 ar 17 9 24 ar 18 9 26 ar 19 10 13 ar 20 10 14 ar 21 11 12 ar 22 11 16 1 23 11 19 ar 24 12 20 ar 25 13 17 ar 26 13 28 1 27 14 18 ar 28 14 29 1 29 15 17 ar 30 15 18 ar 31 17 31 1 32 18 32 1 33 19 22 ar 34 19 33 1 35 20 23 ar 36 20 34 1 37 22 23 ar 38 22 36 1 39 23 37 1 40 25 27 ar 41 25 40 1 42 26 27 ar 43 26 41 1