@MOLECULE [(5r)-5-(2,3-dibromo-5-ethoxy-4-hydroxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid 37 38 0 0 0 SMALL GASTEIGER @ATOM 1 C -5.5658 0.2497 1.0769 C.2 1 UNL1111111111 0.6206 2 C -3.5051 -0.3361 -1.2520 C.2 1 UNL1111111111 0.1801 3 C -5.2210 1.0855 -0.1388 C.3 1 UNL1111111111 -0.1435 4 C 0.4987 -1.4297 0.8542 C.ar 1 UNL1111111111 -0.2185 5 C 0.5354 -0.0315 0.7245 C.ar 1 UNL1111111111 -0.0044 6 C -0.7389 0.7142 0.9771 C.3 1 UNL1111111111 -0.2633 7 C 1.6311 -2.1817 0.5926 C.ar 1 UNL1111111111 0.1263 8 C 0.5216 -4.2812 0.5878 C.3 1 UNL1111111111 -0.0024 9 C 1.0071 -5.7184 0.4969 C.3 1 UNL1111111111 -0.4656 10 C -1.4354 1.0681 -0.3374 C.3 1 UNL1111111111 -0.2608 11 BR 1.8086 2.4763 0.2128 Br 1 UNL1111111111 -0.0188 12 BR 4.5157 0.6263 -0.3888 Br 1 UNL1111111111 0.0217 13 N -3.8512 0.8105 -0.5588 N.am 1 UNL1111111111 -0.4615 14 S -1.7196 -0.4083 -1.4085 S.3 1 UNL1111111111 0.1302 15 O 1.7432 -3.5303 0.7014 O.3 1 UNL1111111111 -0.3609 16 C -2.8026 1.6272 -0.0378 C.2 1 UNL1111111111 0.5613 17 C 1.7269 0.5888 0.3630 C.ar 1 UNL1111111111 -0.0499 18 C 2.8771 -0.1580 0.1083 C.ar 1 UNL1111111111 -0.1018 19 C 2.8356 -1.5430 0.2124 C.ar 1 UNL1111111111 0.1880 20 O -4.8368 -0.4113 1.7635 O.2 1 UNL1111111111 -0.4858 21 S -4.5134 -1.4368 -1.8655 S.2 1 UNL1111111111 -0.2403 22 O -6.8909 0.3615 1.3293 O.3 1 UNL1111111111 -0.5493 23 O -3.0585 2.6393 0.5541 O.2 1 UNL1111111111 -0.4198 24 O 3.9708 -2.2257 -0.0566 O.3 1 UNL1111111111 -0.4108 25 H -5.9502 0.8933 -0.9689 H 1 UNL1111111111 0.2074 26 H -5.3330 2.1761 0.1143 H 1 UNL1111111111 0.2106 27 H -0.4263 -1.9161 1.1660 H 1 UNL1111111111 0.1828 28 H -1.4148 0.1218 1.6386 H 1 UNL1111111111 0.1761 29 H -0.5592 1.6441 1.5687 H 1 UNL1111111111 0.1864 30 H -0.0266 -3.9576 -0.3150 H 1 UNL1111111111 0.1370 31 H -0.0839 -4.0980 1.4933 H 1 UNL1111111111 0.1311 32 H 1.6171 -5.8849 -0.4003 H 1 UNL1111111111 0.1600 33 H 1.6280 -5.9870 1.3630 H 1 UNL1111111111 0.1636 34 H 0.1629 -6.4175 0.4628 H 1 UNL1111111111 0.1599 35 H -0.8330 1.8156 -0.9143 H 1 UNL1111111111 0.2107 36 H -7.1928 -0.1623 2.1153 H 1 UNL1111111111 0.3634 37 H 3.8189 -3.2086 0.0303 H 1 UNL1111111111 0.3403 @BOND 1 1 22 1 2 2 13 1 3 3 1 1 4 3 25 1 5 3 26 1 6 4 5 ar 7 4 27 1 8 5 6 1 9 5 17 ar 10 6 28 1 11 6 29 1 12 7 4 ar 13 7 19 ar 14 8 15 1 15 8 30 1 16 8 31 1 17 9 8 1 18 9 32 1 19 9 33 1 20 9 34 1 21 10 6 1 22 10 16 1 23 10 35 1 24 13 3 1 25 13 16 am 26 14 2 1 27 14 10 1 28 15 7 1 29 16 23 2 30 17 11 1 31 18 12 1 32 18 17 ar 33 19 18 ar 34 20 1 2 35 21 2 2 36 22 36 1 37 24 19 1 38 24 37 1