@MOLECULE 4-bromo-n-(2-{[(2-carbamimidamido-1,3-thiazol-4-yl)methyl]sulfinyl}ethyl)-n-(iminomethyl)benzenesulfonamide 44 45 0 0 0 SMALL GASTEIGER @ATOM 1 BR -4.0686 -0.4948 0.6462 Br 1 UNL111111111 -0.0404 2 S 1.9345 -2.7427 0.6769 S.O2 1 UNL111111111 2.3884 3 S 3.3640 2.0707 0.7646 S.O 1 UNL111111111 1.1501 4 S -1.5529 3.5988 0.4732 S.2 1 UNL111111111 0.2070 5 O 2.5222 -2.3265 1.9311 O.2 1 UNL111111111 -0.9122 6 O 2.0103 -4.1049 0.2358 O.2 1 UNL111111111 -0.8567 7 O 4.7529 2.2424 0.2782 O.2 1 UNL111111111 -0.8084 8 N 2.8094 -1.7653 -0.5051 N.pl3 1 UNL111111111 -0.7669 9 N 0.3620 2.3236 -0.7726 N.ar 1 UNL111111111 -0.5923 10 N 1.6390 -2.4713 -2.3799 N.2 1 UNL111111111 -0.6901 11 N -1.8897 1.6130 -1.3445 N.pl3 1 UNL111111111 -0.6163 12 N -2.6860 -0.1559 -2.6012 N.pl3 1 UNL111111111 -0.6068 13 N -0.3419 0.0544 -2.4050 N.pl3 1 UNL111111111 -0.6512 14 C 3.5692 -0.5866 -0.0558 C.3 1 UNL111111111 -0.0220 15 C 2.6917 0.6585 -0.1937 C.3 1 UNL111111111 -0.5465 16 C 0.2686 -2.1856 0.6898 C.ar 1 UNL111111111 -0.4043 17 C 2.4306 3.4516 -0.0455 C.3 1 UNL111111111 -0.5215 18 C 2.7200 -1.9626 -1.8819 C.2 1 UNL111111111 0.3282 19 C 0.9686 3.2953 0.0386 C.ar 1 UNL111111111 0.1979 20 C -0.1546 -1.3369 1.7131 C.ar 1 UNL111111111 -0.0558 21 C -0.6274 -2.6097 -0.2874 C.ar 1 UNL111111111 -0.0470 22 C -1.4631 -0.8540 1.7249 C.ar 1 UNL111111111 -0.2013 23 C -1.9362 -2.1237 -0.2936 C.ar 1 UNL111111111 -0.2011 24 C -2.3221 -1.2304 0.6985 C.ar 1 UNL111111111 0.0394 25 C 0.1021 4.0522 0.7804 C.ar 1 UNL111111111 -0.4126 26 C -0.9692 2.3556 -0.6816 C.ar 1 UNL111111111 0.3184 27 C -1.6008 0.5422 -2.0882 C.cat 1 UNL111111111 0.6149 28 H 4.5047 -0.4826 -0.6573 H 1 UNL111111111 0.1514 29 H 3.9127 -0.7482 0.9987 H 1 UNL111111111 0.1831 30 H 2.5688 0.9298 -1.2577 H 1 UNL111111111 0.1710 31 H 1.6689 0.4686 0.1830 H 1 UNL111111111 0.1785 32 H 2.7547 3.5410 -1.1056 H 1 UNL111111111 0.1971 33 H 2.7658 4.3939 0.4333 H 1 UNL111111111 0.1863 34 H 3.6180 -1.6360 -2.4459 H 1 UNL111111111 0.1407 35 H 0.5301 -1.0353 2.5175 H 1 UNL111111111 0.1860 36 H -0.3160 -3.3190 -1.0691 H 1 UNL111111111 0.1947 37 H -1.7876 -0.1831 2.5209 H 1 UNL111111111 0.1744 38 H -2.6266 -2.4448 -1.0730 H 1 UNL111111111 0.1758 39 H 0.3530 4.8436 1.4591 H 1 UNL111111111 0.1888 40 H 1.6155 -2.7694 -3.3373 H 1 UNL111111111 0.2823 41 H -0.1791 -0.9366 -2.5177 H 1 UNL111111111 0.3266 42 H 0.4470 0.5479 -1.9902 H 1 UNL111111111 0.3377 43 H -2.5549 -0.7063 -3.4265 H 1 UNL111111111 0.3069 44 H -3.5949 0.2765 -2.4979 H 1 UNL111111111 0.3279 @BOND 1 1 24 1 2 2 5 2 3 2 6 2 4 2 8 1 5 2 16 1 6 3 7 2 7 3 15 1 8 3 17 1 9 4 25 ar 10 4 26 ar 11 8 14 1 12 8 18 1 13 9 19 ar 14 9 26 ar 15 10 18 2 16 10 40 1 17 11 26 1 18 11 27 2 19 12 27 1 20 12 43 1 21 12 44 1 22 13 27 1 23 13 41 1 24 13 42 1 25 14 15 1 26 14 28 1 27 14 29 1 28 15 30 1 29 15 31 1 30 16 20 ar 31 16 21 ar 32 17 19 1 33 17 32 1 34 17 33 1 35 18 34 1 36 19 25 ar 37 20 22 ar 38 20 35 1 39 21 23 ar 40 21 36 1 41 22 24 ar 42 22 37 1 43 23 24 ar 44 23 38 1 45 25 39 1