@MOLECULE 4-[5-(4-ethoxyphenyl)-1,2,3-thiadiazol-4-yl]-6-ethyl-1,3-benzenediol 42 44 0 0 0 SMALL GASTEIGER @ATOM 1 N -3.0121 3.1673 0.8473 N.ar 1 UNL11 -0.1650 2 N -3.1810 1.9483 0.6534 N.ar 1 UNL11 -0.1757 3 C -2.0160 1.1831 0.3836 C.ar 1 UNL11 0.0698 4 C -0.8729 1.9585 0.4106 C.ar 1 UNL11 -0.1880 5 C -2.1250 -0.2366 0.1367 C.ar 1 UNL11 -0.2530 6 C 0.4977 1.5315 0.2570 C.ar 1 UNL11 -0.1029 7 C 1.2691 1.9679 -0.8307 C.ar 1 UNL11 -0.0713 8 C 2.5656 1.5109 -0.9941 C.ar 1 UNL11 -0.2545 9 C 3.0937 0.6077 -0.0539 C.ar 1 UNL11 0.2739 10 C 2.3441 0.1703 1.0401 C.ar 1 UNL11 -0.3098 11 C 1.0428 0.6399 1.1868 C.ar 1 UNL11 -0.0458 12 C -3.1332 -1.0506 0.6949 C.ar 1 UNL11 0.3859 13 C -3.1191 -2.4427 0.5470 C.ar 1 UNL11 -0.3615 14 C -2.0963 -3.0128 -0.2023 C.ar 1 UNL11 0.3509 15 C -1.1118 -2.2347 -0.8419 C.ar 1 UNL11 -0.2136 16 C -1.1571 -0.8605 -0.6676 C.ar 1 UNL11 -0.0207 17 O -2.1254 -4.3637 -0.2800 O.3 1 UNL11 -0.4650 18 O -4.1660 -0.5889 1.4215 O.3 1 UNL11 -0.4630 19 O 4.3603 0.2309 -0.3415 O.3 1 UNL11 -0.3386 20 S -1.2983 3.6147 0.7363 S.2 1 UNL11 0.3097 21 C 5.0037 -0.6827 0.5579 C.3 1 UNL11 -0.0214 22 C 6.3736 -0.8832 -0.0722 C.3 1 UNL11 -0.4592 23 C -0.0208 -2.8505 -1.6567 C.3 1 UNL11 -0.2302 24 C 1.2155 -3.0984 -0.7866 C.3 1 UNL11 -0.4387 25 H -0.4072 -0.2408 -1.1697 H 1 UNL11 0.1657 26 H 0.8430 2.6587 -1.5598 H 1 UNL11 0.1607 27 H 0.4360 0.3002 2.0293 H 1 UNL11 0.1641 28 H 3.1801 1.8325 -1.8317 H 1 UNL11 0.1760 29 H 2.7505 -0.5212 1.7697 H 1 UNL11 0.1668 30 H -3.8909 -3.0549 1.0075 H 1 UNL11 0.2018 31 H -4.2438 0.4060 1.3972 H 1 UNL11 0.3638 32 H -1.3663 -4.7269 -0.8043 H 1 UNL11 0.3310 33 H -0.3502 -3.7917 -2.1409 H 1 UNL11 0.1289 34 H 0.2493 -2.1837 -2.5045 H 1 UNL11 0.1527 35 H 5.0642 -0.2211 1.5590 H 1 UNL11 0.1291 36 H 4.4208 -1.6194 0.6012 H 1 UNL11 0.1273 37 H 6.2879 -1.2630 -1.0999 H 1 UNL11 0.1627 38 H 6.9300 0.0624 -0.1293 H 1 UNL11 0.1624 39 H 6.9746 -1.5957 0.5036 H 1 UNL11 0.1555 40 H 1.5732 -2.1592 -0.3418 H 1 UNL11 0.1548 41 H 0.9974 -3.7818 0.0408 H 1 UNL11 0.1445 42 H 2.0391 -3.5214 -1.3697 H 1 UNL11 0.1396 @BOND 1 1 2 ar 2 1 20 ar 3 2 3 ar 4 3 4 ar 5 3 5 1 6 4 6 1 7 4 20 ar 8 5 12 ar 9 5 16 ar 10 6 7 ar 11 6 11 ar 12 7 8 ar 13 7 26 1 14 8 9 ar 15 8 28 1 16 9 10 ar 17 9 19 1 18 10 11 ar 19 10 29 1 20 11 27 1 21 12 13 ar 22 12 18 1 23 13 14 ar 24 13 30 1 25 14 15 ar 26 14 17 1 27 15 16 ar 28 15 23 1 29 16 25 1 30 17 32 1 31 18 31 1 32 19 21 1 33 21 22 1 34 21 35 1 35 21 36 1 36 22 37 1 37 22 38 1 38 22 39 1 39 23 24 1 40 23 33 1 41 23 34 1 42 24 40 1 43 24 41 1 44 24 42 1