@MOLECULE 4-bromo-n-[(1r)-1-(2,4-difluorophenyl)ethyl]-2-[(5-quinoxalinylsulfonyl)amino]benzamide 51 54 0 0 0 SMALL GASTEIGER @ATOM 1 BR 5.4037 -0.2306 -0.8745 Br 1 UNL1111111111 -0.0688 2 S 0.7258 2.4237 1.4449 S.O2 1 UNL1111111111 2.4026 3 F -2.5876 -2.5344 -1.6421 F 1 UNL1111111111 -0.1728 4 F -5.5439 0.9346 -0.7091 F 1 UNL1111111111 -0.1632 5 O 0.2733 3.0299 2.6732 O.2 1 UNL1111111111 -0.8920 6 O 1.8760 2.9184 0.7433 O.2 1 UNL1111111111 -0.8624 7 O -0.4946 -1.4244 2.5582 O.2 1 UNL1111111111 -0.5838 8 N -0.6905 -2.8073 0.7957 N.am 1 UNL1111111111 -0.6058 9 N 0.9911 0.7515 1.8583 N.pl3 1 UNL1111111111 -0.8335 10 N 0.2611 0.7500 -1.1039 N.ar 1 UNL1111111111 -0.3405 11 N -1.9354 1.0137 -2.8368 N.ar 1 UNL1111111111 -0.3052 12 C -2.0893 -3.0810 1.1563 C.3 1 UNL1111111111 0.1377 13 C -2.9853 -1.9890 0.6093 C.ar 1 UNL1111111111 -0.1605 14 C 1.7668 -0.1570 1.1475 C.ar 1 UNL1111111111 0.3705 15 C 1.3575 -1.5106 1.0575 C.ar 1 UNL1111111111 -0.2882 16 C -0.6876 2.4297 0.3721 C.ar 1 UNL1111111111 -0.3994 17 C -2.5051 -4.4721 0.6647 C.3 1 UNL1111111111 -0.4674 18 C 0.0191 -1.8934 1.5513 C.2 1 UNL1111111111 0.6219 19 C -0.7458 1.6415 -0.8062 C.ar 1 UNL1111111111 0.1286 20 C 2.9917 0.2252 0.5463 C.ar 1 UNL1111111111 -0.2509 21 C 2.1970 -2.4632 0.4737 C.ar 1 UNL1111111111 -0.0518 22 C -3.2178 -1.7839 -0.7520 C.ar 1 UNL1111111111 0.2236 23 C -3.6025 -1.1186 1.5132 C.ar 1 UNL1111111111 -0.0599 24 C -1.7389 3.2614 0.6715 C.ar 1 UNL1111111111 -0.0277 25 C -1.8605 1.7630 -1.6843 C.ar 1 UNL1111111111 0.0480 26 C 3.7629 -0.7428 -0.0564 C.ar 1 UNL1111111111 0.0715 27 C 3.4075 -2.0929 -0.0911 C.ar 1 UNL1111111111 -0.2579 28 C -2.8529 3.3809 -0.1997 C.ar 1 UNL1111111111 -0.1796 29 C -2.9150 2.6640 -1.3656 C.ar 1 UNL1111111111 -0.0767 30 C -4.0828 -0.8058 -1.2399 C.ar 1 UNL1111111111 -0.3003 31 C -4.4676 -0.1190 1.0781 C.ar 1 UNL1111111111 -0.2561 32 C -4.7026 0.0026 -0.2910 C.ar 1 UNL1111111111 0.2317 33 C 0.1719 0.0390 -2.2076 C.ar 1 UNL1111111111 0.0157 34 C -0.9536 0.1767 -3.0998 C.ar 1 UNL1111111111 -0.0210 35 H -2.1539 -3.0699 2.2887 H 1 UNL1111111111 0.1759 36 H -0.3600 -3.1397 -0.0932 H 1 UNL1111111111 0.3153 37 H 0.3260 0.3248 2.5297 H 1 UNL1111111111 0.3631 38 H -3.5971 -4.5790 0.6773 H 1 UNL1111111111 0.1626 39 H -2.0881 -5.2549 1.3112 H 1 UNL1111111111 0.1587 40 H -2.1704 -4.6895 -0.3545 H 1 UNL1111111111 0.1579 41 H 3.3090 1.2760 0.5659 H 1 UNL1111111111 0.2223 42 H 1.9000 -3.5134 0.4654 H 1 UNL1111111111 0.1506 43 H -3.3913 -1.2185 2.5840 H 1 UNL1111111111 0.1800 44 H -1.7464 3.8645 1.5937 H 1 UNL1111111111 0.1903 45 H 4.0544 -2.8395 -0.5432 H 1 UNL1111111111 0.1693 46 H -3.6590 4.0634 0.0740 H 1 UNL1111111111 0.1689 47 H -3.7508 2.7563 -2.0640 H 1 UNL1111111111 0.1806 48 H -4.2544 -0.6717 -2.3098 H 1 UNL1111111111 0.2077 49 H -4.9466 0.5484 1.7933 H 1 UNL1111111111 0.1841 50 H 0.9854 -0.6636 -2.4286 H 1 UNL1111111111 0.1932 51 H -1.0180 -0.4162 -4.0198 H 1 UNL1111111111 0.1930 @BOND 1 1 26 1 2 2 5 2 3 2 6 2 4 2 9 1 5 2 16 1 6 3 22 1 7 4 32 1 8 7 18 2 9 8 12 1 10 8 18 am 11 8 36 1 12 9 14 1 13 9 37 1 14 10 19 ar 15 10 33 ar 16 11 25 ar 17 11 34 ar 18 12 13 1 19 12 17 1 20 12 35 1 21 13 22 ar 22 13 23 ar 23 14 15 ar 24 14 20 ar 25 15 18 1 26 15 21 ar 27 16 19 ar 28 16 24 ar 29 17 38 1 30 17 39 1 31 17 40 1 32 19 25 ar 33 20 26 ar 34 20 41 1 35 21 27 ar 36 21 42 1 37 22 30 ar 38 23 31 ar 39 23 43 1 40 24 28 ar 41 24 44 1 42 25 29 ar 43 26 27 ar 44 27 45 1 45 28 29 ar 46 28 46 1 47 29 47 1 48 30 32 ar 49 30 48 1 50 31 32 ar 51 31 49 1 52 33 34 ar 53 33 50 1 54 34 51 1