@MOLECULE 3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-n-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1-benzofuran-6-sulfonamide 60 64 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.8328 -2.7366 -1.0366 O.2 1 UNL1111111111 -0.8572 2 S -6.3149 -2.3174 0.2482 S.O2 1 UNL1111111111 2.3837 3 O -6.5064 -3.2706 1.3187 O.2 1 UNL1111111111 -0.9048 4 N -8.0077 -1.7879 0.0334 N.pl3 1 UNL1111111111 -0.7976 5 C -8.3893 -0.7614 -0.7709 C.ar 1 UNL1111111111 0.3291 6 N -7.5444 0.0771 -1.3659 N.ar 1 UNL1111111111 -0.5220 7 C -8.2160 1.0561 -2.0938 C.ar 1 UNL1111111111 0.0818 8 C -9.5796 0.9975 -2.0780 C.ar 1 UNL1111111111 -0.4112 9 S -10.1220 -0.3488 -1.1101 S.2 1 UNL1111111111 0.1117 10 C -5.4554 -0.9372 0.8275 C.ar 1 UNL1111111111 -0.5081 11 C -5.2954 -0.7353 2.2032 C.ar 1 UNL1111111111 0.0251 12 C -4.5761 0.3481 2.6775 C.ar 1 UNL1111111111 -0.3347 13 C -4.9104 -0.0128 -0.0697 C.ar 1 UNL1111111111 0.0681 14 C -4.1954 1.0858 0.3871 C.ar 1 UNL1111111111 -0.3374 15 C -3.9899 1.2611 1.7678 C.ar 1 UNL1111111111 0.3481 16 N -3.2031 2.2860 2.2834 N.pl3 1 UNL1111111111 -0.8604 17 S -2.0479 3.2744 1.4000 S.O2 1 UNL1111111111 2.3725 18 O -1.5473 4.1501 2.4283 O.2 1 UNL1111111111 -0.8797 19 O -2.6836 3.7557 0.2061 O.2 1 UNL1111111111 -0.8708 20 C -0.8291 2.0916 0.9631 C.ar 1 UNL1111111111 -0.3870 21 C 0.2254 1.8313 1.8506 C.ar 1 UNL1111111111 -0.0823 22 C -0.9536 1.4059 -0.2446 C.ar 1 UNL1111111111 -0.1029 23 C -0.0019 0.4332 -0.4852 C.ar 1 UNL1111111111 0.0839 24 O 0.0437 -0.3938 -1.5960 O.2 1 UNL1111111111 -0.2107 25 C 1.0653 0.1293 0.4020 C.ar 1 UNL1111111111 0.0188 26 C 1.1811 0.8535 1.5832 C.ar 1 UNL1111111111 -0.1521 27 C 1.7848 -0.9508 -0.2298 C.ar 1 UNL1111111111 -0.3373 28 C 1.1313 -1.2348 -1.4000 C.ar 1 UNL1111111111 0.2579 29 C 1.3213 -2.2161 -2.4803 C.3 1 UNL1111111111 -0.2812 30 C 1.0986 -3.6306 -1.9413 C.3 1 UNL1111111111 -0.4244 31 C 2.9566 -1.6324 0.3325 C.2 1 UNL1111111111 0.5104 32 O 2.8515 -2.6584 0.9609 O.2 1 UNL1111111111 -0.4121 33 C 4.2797 -1.0099 0.0922 C.ar 1 UNL1111111111 -0.2214 34 C 4.4162 0.1135 -0.7235 C.ar 1 UNL1111111111 -0.0244 35 C 5.6743 0.6603 -0.9383 C.ar 1 UNL1111111111 -0.2102 36 BR 5.8334 2.1744 -2.0533 Br 1 UNL1111111111 -0.0134 37 C 6.8026 0.0930 -0.3362 C.ar 1 UNL1111111111 0.3106 38 O 8.0633 0.5340 -0.4727 O.3 1 UNL1111111111 -0.4180 39 C 6.6531 -1.0351 0.4877 C.ar 1 UNL1111111111 -0.1576 40 C 5.4025 -1.5874 0.7011 C.ar 1 UNL1111111111 -0.0117 41 BR 8.1783 -1.7881 1.2955 Br 1 UNL1111111111 0.0114 42 H -8.7267 -2.3873 0.4404 H 1 UNL1111111111 0.3392 43 H -7.5985 1.7847 -2.6115 H 1 UNL1111111111 0.1760 44 H -10.2669 1.6567 -2.5703 H 1 UNL1111111111 0.1884 45 H -5.7283 -1.4419 2.9240 H 1 UNL1111111111 0.1670 46 H -4.4523 0.4911 3.7457 H 1 UNL1111111111 0.1579 47 H -5.0544 -0.1364 -1.1551 H 1 UNL1111111111 0.1846 48 H -3.8528 1.8262 -0.3361 H 1 UNL1111111111 0.1902 49 H -3.2880 2.4715 3.2824 H 1 UNL1111111111 0.3283 50 H 0.3160 2.4072 2.7808 H 1 UNL1111111111 0.1781 51 H -1.7457 1.6064 -0.9720 H 1 UNL1111111111 0.1918 52 H 1.9917 0.6544 2.2814 H 1 UNL1111111111 0.1708 53 H 2.3462 -2.1259 -2.9086 H 1 UNL1111111111 0.1745 54 H 0.6281 -2.0183 -3.3309 H 1 UNL1111111111 0.1760 55 H 1.3085 -4.3851 -2.7084 H 1 UNL1111111111 0.1546 56 H 1.7479 -3.8460 -1.0791 H 1 UNL1111111111 0.1684 57 H 0.0631 -3.7781 -1.6073 H 1 UNL1111111111 0.1585 58 H 3.5296 0.5580 -1.1888 H 1 UNL1111111111 0.1772 59 H 8.1533 1.3322 -1.0604 H 1 UNL1111111111 0.3404 60 H 5.2672 -2.4727 1.3381 H 1 UNL1111111111 0.1957 @BOND 1 1 2 2 2 2 3 2 3 2 4 1 4 2 10 1 5 4 5 1 6 4 42 1 7 5 6 ar 8 5 9 ar 9 6 7 ar 10 7 8 ar 11 7 43 1 12 8 9 ar 13 8 44 1 14 10 11 ar 15 10 13 ar 16 11 12 ar 17 11 45 1 18 12 15 ar 19 12 46 1 20 13 14 ar 21 13 47 1 22 14 15 ar 23 14 48 1 24 15 16 1 25 16 17 1 26 16 49 1 27 17 18 2 28 17 19 2 29 17 20 1 30 20 21 ar 31 20 22 ar 32 21 26 ar 33 21 50 1 34 22 23 ar 35 22 51 1 36 23 24 ar 37 23 25 ar 38 24 28 ar 39 25 26 ar 40 25 27 ar 41 26 52 1 42 27 28 ar 43 27 31 1 44 28 29 1 45 29 30 1 46 29 53 1 47 29 54 1 48 30 55 1 49 30 56 1 50 30 57 1 51 31 32 2 52 31 33 1 53 33 34 ar 54 33 40 ar 55 34 35 ar 56 34 58 1 57 35 36 1 58 35 37 ar 59 37 38 1 60 37 39 ar 61 38 59 1 62 39 40 ar 63 39 41 1 64 40 60 1