@MOLECULE 6-cyclohexyl-3-(2-furyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 33 36 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.9838 -2.7250 -0.0051 S.2 1 UNL111 0.2574 2 O 2.0488 1.6973 -0.0006 O.2 1 UNL111 -0.1219 3 N -0.2655 -0.1646 -0.0034 N.ar 1 UNL111 -0.1519 4 N 0.8633 -0.9303 -0.0037 N.ar 1 UNL111 -0.1829 5 N 1.9364 -2.8951 -0.0041 N.ar 1 UNL111 -0.1371 6 N 2.8439 -1.9088 -0.0036 N.ar 1 UNL111 -0.1907 7 C -2.7292 -0.4225 -0.0028 C.3 1 UNL111 -0.0973 8 C -2.9821 0.4268 1.2606 C.3 1 UNL111 -0.2602 9 C -2.9848 0.4270 -1.2654 C.3 1 UNL111 -0.2602 10 C -4.4328 0.9222 1.2632 C.3 1 UNL111 -0.2631 11 C -4.4354 0.9230 -1.2644 C.3 1 UNL111 -0.2631 12 C -4.7240 1.7434 -0.0001 C.3 1 UNL111 -0.2653 13 C -1.3301 -0.9292 -0.0038 C.ar 1 UNL111 0.0261 14 C 0.7088 -2.3515 -0.0044 C.ar 1 UNL111 -0.0503 15 C 2.2392 -0.6844 -0.0035 C.ar 1 UNL111 0.1885 16 C 2.8843 0.5852 -0.0032 C.ar 1 UNL111 0.0380 17 C 4.2038 0.9728 -0.0046 C.ar 1 UNL111 -0.1331 18 C 4.1987 2.4087 -0.0029 C.ar 1 UNL111 -0.2477 19 C 2.8814 2.7904 -0.0003 C.ar 1 UNL111 0.0051 20 H -3.4568 -1.2762 -0.0021 H 1 UNL111 0.1610 21 H -2.2836 1.2873 1.2841 H 1 UNL111 0.1593 22 H -2.7731 -0.1616 2.1720 H 1 UNL111 0.1411 23 H -2.7784 -0.1614 -2.1773 H 1 UNL111 0.1411 24 H -2.2861 1.2871 -1.2907 H 1 UNL111 0.1593 25 H -4.6201 1.5360 2.1638 H 1 UNL111 0.1358 26 H -5.1295 0.0660 1.3296 H 1 UNL111 0.1355 27 H -5.1329 0.0673 -1.3287 H 1 UNL111 0.1355 28 H -4.6247 1.5362 -2.1650 H 1 UNL111 0.1358 29 H -5.7753 2.0829 0.0009 H 1 UNL111 0.1303 30 H -4.1064 2.6619 -0.0001 H 1 UNL111 0.1418 31 H 5.0695 0.3379 -0.0064 H 1 UNL111 0.1862 32 H 5.0694 3.0296 -0.0036 H 1 UNL111 0.1724 33 H 2.3545 3.7173 0.0022 H 1 UNL111 0.1747 @BOND 1 1 13 ar 2 1 14 ar 3 2 16 ar 4 2 19 ar 5 3 4 ar 6 3 13 ar 7 4 14 ar 8 4 15 ar 9 5 6 ar 10 5 14 ar 11 6 15 ar 12 7 8 1 13 7 9 1 14 7 13 1 15 7 20 1 16 8 10 1 17 8 21 1 18 8 22 1 19 9 11 1 20 9 23 1 21 9 24 1 22 10 12 1 23 10 25 1 24 10 26 1 25 11 12 1 26 11 27 1 27 11 28 1 28 12 29 1 29 12 30 1 30 15 16 1 31 16 17 ar 32 17 18 ar 33 17 31 1 34 18 19 ar 35 18 32 1 36 19 33 1