@MOLECULE [(4-{[(4-bromophenyl)sulfonyl]amino}-1-hydroxy-2-naphthyl)sulfanyl]acetic acid 41 43 0 0 0 SMALL GASTEIGER @ATOM 1 BR 3.9224 1.8385 -1.3709 Br 1 UNL111 -0.0500 2 S -0.0173 -3.1202 -0.4476 S.O2 1 UNL111 2.3427 3 S -3.9036 1.1222 0.7205 S.3 1 UNL111 0.1433 4 O -1.6524 2.6839 1.6675 O.3 1 UNL111 -0.4208 5 O 0.6597 -4.3899 -0.3922 O.2 1 UNL111 -0.8700 6 O -1.2222 -2.9469 -1.2209 O.2 1 UNL111 -0.9068 7 O -5.7978 -0.0472 -1.8783 O.3 1 UNL111 -0.5526 8 O -5.7772 2.1801 -1.8706 O.2 1 UNL111 -0.4926 9 N -0.4104 -2.7125 1.2163 N.pl3 1 UNL111 -0.8335 10 C 0.2060 -0.4805 2.0047 C.ar 1 UNL111 0.0448 11 C -0.7828 -1.3488 1.4293 C.ar 1 UNL111 0.0598 12 C -0.0587 0.9028 2.0777 C.ar 1 UNL111 -0.1469 13 C -2.0156 -0.8630 1.0538 C.ar 1 UNL111 -0.1115 14 C -1.3380 1.3725 1.6413 C.ar 1 UNL111 0.3005 15 C -2.3074 0.5132 1.1632 C.ar 1 UNL111 -0.2541 16 C 1.4501 -0.9677 2.4880 C.ar 1 UNL111 -0.1391 17 C 1.1040 -1.8268 -0.8511 C.ar 1 UNL111 -0.3855 18 C 0.9413 1.7807 2.5675 C.ar 1 UNL111 -0.1437 19 C 2.3988 -0.1022 2.9700 C.ar 1 UNL111 -0.1349 20 C 2.1491 1.2906 2.9960 C.ar 1 UNL111 -0.1427 21 C 2.4513 -1.9404 -0.5157 C.ar 1 UNL111 -0.0484 22 C 0.6153 -0.6560 -1.4308 C.ar 1 UNL111 -0.0544 23 C 3.3074 -0.8533 -0.6960 C.ar 1 UNL111 -0.1897 24 C 1.4594 0.4392 -1.6092 C.ar 1 UNL111 -0.1873 25 C -3.8241 0.9465 -1.1125 C.3 1 UNL111 -0.4327 26 C 2.7873 0.3264 -1.2140 C.ar 1 UNL111 0.0264 27 C -5.2022 1.1507 -1.6343 C.2 1 UNL111 0.6504 28 H -0.9695 -3.3822 1.7400 H 1 UNL111 0.3158 29 H -2.7694 -1.5448 0.6377 H 1 UNL111 0.1926 30 H 1.6277 -2.0465 2.4721 H 1 UNL111 0.1823 31 H 0.7480 2.8532 2.6006 H 1 UNL111 0.1452 32 H 3.3545 -0.4727 3.3393 H 1 UNL111 0.1554 33 H 2.9251 1.9608 3.3646 H 1 UNL111 0.1606 34 H 2.8540 -2.8733 -0.1022 H 1 UNL111 0.1779 35 H -0.4335 -0.5766 -1.7449 H 1 UNL111 0.1807 36 H 4.3579 -0.9394 -0.4205 H 1 UNL111 0.1711 37 H 1.0694 1.3604 -2.0419 H 1 UNL111 0.1744 38 H -0.9292 3.2477 2.0513 H 1 UNL111 0.3257 39 H -3.4254 -0.0538 -1.3914 H 1 UNL111 0.2027 40 H -3.1341 1.7039 -1.5375 H 1 UNL111 0.1917 41 H -6.7240 0.0333 -2.2155 H 1 UNL111 0.3535 @BOND 1 1 26 1 2 2 5 2 3 2 6 2 4 2 9 1 5 2 17 1 6 3 15 1 7 3 25 1 8 4 14 1 9 4 38 1 10 7 27 1 11 7 41 1 12 8 27 2 13 9 11 1 14 9 28 1 15 10 11 ar 16 10 12 ar 17 10 16 ar 18 11 13 ar 19 12 14 ar 20 12 18 ar 21 13 15 ar 22 13 29 1 23 14 15 ar 24 16 19 ar 25 16 30 1 26 17 21 ar 27 17 22 ar 28 18 20 ar 29 18 31 1 30 19 20 ar 31 19 32 1 32 20 33 1 33 21 23 ar 34 21 34 1 35 22 24 ar 36 22 35 1 37 23 26 ar 38 23 36 1 39 24 26 ar 40 24 37 1 41 25 27 1 42 25 39 1 43 25 40 1