@MOLECULE 5-(5-{(z)-[3-(4-bromophenyl)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-2-furyl)-1h-isoindole-1,3(2h)-dione 43 47 0 0 0 SMALL GASTEIGER @ATOM 1 BR 8.1167 -0.8168 0.0344 Br 1 UNL1111111111 -0.0590 2 S -0.5009 -0.0225 -0.1734 S.3 1 UNL1111111111 0.0829 3 O -2.7049 1.7978 0.0695 O.2 1 UNL1111111111 -0.1544 4 O -4.4497 -3.3448 0.2604 O.2 1 UNL1111111111 -0.4157 5 O -8.8670 -2.2936 -0.2830 O.2 1 UNL1111111111 -0.4177 6 O 2.3773 2.4928 0.0283 O.2 1 UNL1111111111 -0.4298 7 N 2.1240 0.2181 -0.0824 N.am 1 UNL1111111111 -0.4917 8 N -6.7373 -3.1504 -0.0103 N.am 1 UNL1111111111 -0.6655 9 N 1.4500 -2.0414 -0.2152 N.2 1 UNL1111111111 -0.5495 10 C -5.5433 -1.1575 0.0798 C.ar 1 UNL1111111111 -0.1208 11 C -5.0005 1.1631 0.0715 C.ar 1 UNL1111111111 -0.0131 12 C -6.9090 -0.8323 -0.0919 C.ar 1 UNL1111111111 -0.1163 13 C -4.5801 -0.1847 0.1692 C.ar 1 UNL1111111111 -0.0668 14 C -4.0203 2.2187 0.1422 C.ar 1 UNL1111111111 0.1032 15 C -6.3485 1.4806 -0.0970 C.ar 1 UNL1111111111 -0.1242 16 C -7.3269 0.4741 -0.1787 C.ar 1 UNL1111111111 -0.0807 17 C -1.9203 2.9396 0.1523 C.ar 1 UNL1111111111 0.0669 18 C -5.4142 -2.6467 0.1321 C.2 1 UNL1111111111 0.5910 19 C -7.6918 -2.1049 -0.1499 C.2 1 UNL1111111111 0.5868 20 C 0.1533 1.5956 -0.0136 C.2 1 UNL1111111111 -0.2426 21 C -4.0755 3.5902 0.2670 C.ar 1 UNL1111111111 -0.2294 22 C 1.6359 1.5458 -0.0184 C.2 1 UNL1111111111 0.5823 23 C -0.5026 2.7594 0.1074 C.2 1 UNL1111111111 -0.0506 24 C 3.5295 -0.0435 -0.0623 C.ar 1 UNL1111111111 0.1956 25 C -2.7230 4.0547 0.2739 C.ar 1 UNL1111111111 -0.1770 26 C 1.1607 -0.8097 -0.1621 C.2 1 UNL1111111111 0.3598 27 C 4.3729 0.7036 -0.8951 C.ar 1 UNL1111111111 -0.1620 28 C 4.0462 -1.0231 0.7948 C.ar 1 UNL1111111111 -0.1527 29 C 5.7455 0.4719 -0.8627 C.ar 1 UNL1111111111 -0.1354 30 C 5.4184 -1.2562 0.8184 C.ar 1 UNL1111111111 -0.1368 31 C 6.2443 -0.5030 -0.0073 C.ar 1 UNL1111111111 -0.0290 32 H -3.5279 -0.4391 0.3134 H 1 UNL1111111111 0.1902 33 H -6.6560 2.5250 -0.1714 H 1 UNL1111111111 0.1656 34 H -8.3800 0.7281 -0.3092 H 1 UNL1111111111 0.1780 35 H -4.9449 4.2097 0.3501 H 1 UNL1111111111 0.1763 36 H 0.0806 3.6988 0.1894 H 1 UNL1111111111 0.2006 37 H -6.9707 -4.1274 -0.0144 H 1 UNL1111111111 0.3429 38 H -2.4169 5.0787 0.3596 H 1 UNL1111111111 0.1783 39 H 3.9631 1.4674 -1.5570 H 1 UNL1111111111 0.1792 40 H 3.3790 -1.6099 1.4281 H 1 UNL1111111111 0.1823 41 H 6.4042 1.0568 -1.5062 H 1 UNL1111111111 0.1729 42 H 5.8217 -2.0232 1.4809 H 1 UNL1111111111 0.1726 43 H 0.7769 -2.7819 -0.2868 H 1 UNL1111111111 0.3130 @BOND 1 1 31 1 2 2 20 1 3 2 26 1 4 3 14 ar 5 3 17 ar 6 4 18 2 7 5 19 2 8 6 22 2 9 7 22 am 10 7 24 1 11 7 26 1 12 8 18 am 13 8 19 am 14 8 37 1 15 9 26 2 16 9 43 1 17 10 12 ar 18 10 13 ar 19 10 18 1 20 11 13 ar 21 11 14 1 22 11 15 ar 23 12 16 ar 24 12 19 1 25 13 32 1 26 14 21 ar 27 15 16 ar 28 15 33 1 29 16 34 1 30 17 23 1 31 17 25 ar 32 20 22 1 33 20 23 2 34 21 25 ar 35 21 35 1 36 23 36 1 37 24 27 ar 38 24 28 ar 39 25 38 1 40 27 29 ar 41 27 39 1 42 28 30 ar 43 28 40 1 44 29 31 ar 45 29 41 1 46 30 31 ar 47 30 42 1