@MOLECULE (4,7-dibromo-3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)di-4,1-phenylene bis(hydrogen sulfate) 43 46 0 0 0 SMALL GASTEIGER @ATOM 1 BR 0.3002 0.3295 2.5075 Br 1 UNL111111111111 -0.0025 2 BR 2.3029 -5.2356 -0.3449 Br 1 UNL111111111111 0.0227 3 S -6.2793 1.3697 -0.0010 S.3 1 UNL111111111111 2.3645 4 S 4.0396 4.6465 -0.1107 S.3 1 UNL111111111111 2.3499 5 O 0.2166 -1.3640 -1.9954 O.3 1 UNL111111111111 -0.3888 6 O 0.9887 -3.3575 -2.6335 O.2 1 UNL111111111111 -0.3690 7 O -5.5763 0.0065 -0.6521 O.3 1 UNL111111111111 -0.6782 8 O 2.9452 4.1910 -1.2921 O.3 1 UNL111111111111 -0.6370 9 O -7.8309 0.8552 -0.0633 O.2 1 UNL111111111111 -0.2903 10 O 4.3893 6.1249 -0.7192 O.2 1 UNL111111111111 -0.2918 11 O -5.8903 1.4565 1.3702 O.3 1 UNL111111111111 -0.8317 12 O -6.1380 2.4416 -0.9326 O.2 1 UNL111111111111 -0.8231 13 O 3.3155 4.8372 1.1055 O.2 1 UNL111111111111 -0.8307 14 O 5.2012 3.8297 -0.2259 O.3 1 UNL111111111111 -0.8085 15 C 0.0045 -0.6160 -0.7651 C.3 1 UNL111111111111 0.2452 16 C 0.6306 -1.4781 0.3159 C.ar 1 UNL111111111111 -0.0330 17 C -1.4869 -0.4550 -0.6850 C.ar 1 UNL111111111111 -0.0953 18 C 0.7767 0.6666 -0.9120 C.ar 1 UNL111111111111 -0.0517 19 C 1.0853 -2.6666 -0.2866 C.ar 1 UNL111111111111 -0.1829 20 C 0.7956 -2.5930 -1.7403 C.2 1 UNL111111111111 0.5785 21 C 0.8366 -1.2706 1.6629 C.ar 1 UNL111111111111 -0.0503 22 C -2.1180 0.2205 -1.7373 C.ar 1 UNL111111111111 -0.0735 23 C 0.2427 1.8813 -0.4661 C.ar 1 UNL111111111111 -0.1469 24 C -2.2355 -0.9908 0.3624 C.ar 1 UNL111111111111 -0.0991 25 C 2.0641 0.6201 -1.4806 C.ar 1 UNL111111111111 -0.1489 26 C 1.7056 -3.6431 0.4616 C.ar 1 UNL111111111111 0.0383 27 C 1.4700 -2.2585 2.4273 C.ar 1 UNL111111111111 -0.0984 28 C 1.8972 -3.4417 1.8330 C.ar 1 UNL111111111111 -0.1633 29 C -3.4945 0.4087 -1.7240 C.ar 1 UNL111111111111 -0.2260 30 C 0.9648 3.0720 -0.5427 C.ar 1 UNL111111111111 -0.1706 31 C -3.6148 -0.8082 0.3994 C.ar 1 UNL111111111111 -0.2104 32 C 2.6965 1.8187 -1.5229 C.ar 1 UNL111111111111 -0.0110 33 C -4.2144 -0.1023 -0.6428 C.ar 1 UNL111111111111 0.2961 34 C 2.2521 3.0409 -1.0963 C.ar 1 UNL111111111111 0.2172 35 H -1.5218 0.5955 -2.5738 H 1 UNL111111111111 0.1738 36 H -0.7651 1.9066 -0.0447 H 1 UNL111111111111 0.1733 37 H -1.7562 -1.5585 1.1600 H 1 UNL111111111111 0.1600 38 H 2.5038 -0.2999 -1.8600 H 1 UNL111111111111 0.1886 39 H 1.6362 -2.1072 3.4979 H 1 UNL111111111111 0.1778 40 H 2.3866 -4.2038 2.4439 H 1 UNL111111111111 0.1799 41 H -4.0024 0.9321 -2.5333 H 1 UNL111111111111 0.1849 42 H 0.5424 4.0111 -0.1825 H 1 UNL111111111111 0.1824 43 H -4.2134 -1.2058 1.2167 H 1 UNL111111111111 0.1800 @BOND 1 9 3 2 2 12 3 2 3 3 7 1 4 3 11 1 5 7 33 1 6 41 29 1 7 33 29 ar 8 33 31 ar 9 29 22 ar 10 43 31 1 11 31 24 ar 12 22 35 1 13 22 17 ar 14 24 17 ar 15 24 37 1 16 17 15 1 17 5 15 1 18 5 20 1 19 6 20 2 20 36 23 1 21 15 18 1 22 15 16 1 23 20 19 1 24 23 18 ar 25 23 30 ar 26 18 25 ar 27 16 19 ar 28 16 21 ar 29 19 26 ar 30 42 30 1 31 30 34 ar 32 25 38 1 33 25 32 ar 34 21 1 1 35 21 27 ar 36 26 2 1 37 26 28 ar 38 34 32 ar 39 34 8 1 40 8 4 1 41 27 28 ar 42 27 39 1 43 28 40 1 44 4 13 2 45 4 10 2 46 4 14 1