@MOLECULE 2,6-dichloro-n-(3-isobutyl-1,5-dimethyl-1h-pyrazol-4-yl)-4-[2-(1-piperazinyl)-4-pyridinyl]benzenesulfonamide 65 68 0 0 0 SMALL GASTEIGER @ATOM 1 C -7.5966 0.0156 -0.1801 C.3 1 UNL111111111 -0.0853 2 C -7.8866 -1.4620 0.1742 C.3 1 UNL111111111 -0.1494 3 N -7.6979 -2.2950 -1.0366 N.3 1 UNL111111111 -0.5330 4 C -6.3225 -2.1690 -1.5698 C.3 1 UNL111111111 -0.1503 5 C -6.0671 -0.6831 -1.9273 C.3 1 UNL111111111 -0.0934 6 N -6.2419 0.1858 -0.7463 N.pl3 1 UNL111111111 -0.3902 7 C -5.1677 0.2707 0.1451 C.ar 1 UNL111111111 0.3842 8 C -3.8386 0.4258 -0.3246 C.ar 1 UNL111111111 -0.3350 9 N -5.4600 0.3253 1.4771 N.ar 1 UNL111111111 -0.4850 10 C -4.4670 0.5545 2.3498 C.ar 1 UNL111111111 0.1265 11 C -3.1328 0.7232 1.9656 C.ar 1 UNL111111111 -0.3280 12 C -2.8325 0.6577 0.6021 C.ar 1 UNL111111111 0.0835 13 C -1.4464 0.8458 0.1504 C.ar 1 UNL111111111 0.0619 14 C -0.8151 2.0741 0.3466 C.ar 1 UNL111111111 -0.2307 15 C 0.5016 2.2330 -0.0740 C.ar 1 UNL111111111 0.1047 16 CL 1.2063 3.7342 0.3070 Cl 1 UNL111111111 -0.0106 17 C -0.7528 -0.2050 -0.4483 C.ar 1 UNL111111111 -0.2277 18 C 0.5649 -0.0042 -0.8510 C.ar 1 UNL111111111 0.1039 19 CL 1.3471 -1.3837 -1.4631 Cl 1 UNL111111111 -0.0037 20 C 1.2185 1.2204 -0.7095 C.ar 1 UNL111111111 -0.4313 21 S 2.9022 1.4602 -1.2481 S.O2 1 UNL111111111 2.3285 22 O 3.2202 0.5117 -2.2841 O.2 1 UNL111111111 -0.8865 23 O 3.1688 2.8557 -1.4806 O.2 1 UNL111111111 -0.8473 24 N 3.7635 1.0156 0.2098 N.pl3 1 UNL111111111 -0.7616 25 C 3.3498 -0.1957 0.7903 C.ar 1 UNL111111111 -0.0887 26 C 2.4499 -0.3011 1.8742 C.ar 1 UNL111111111 0.0754 27 C 1.7938 0.7569 2.6569 C.3 1 UNL111111111 -0.4381 28 N 2.2808 -1.6519 2.0959 N.ar 1 UNL111111111 -0.1058 29 C 1.4143 -2.3023 3.0610 C.3 1 UNL111111111 -0.2293 30 N 3.0254 -2.4100 1.2479 N.ar 1 UNL111111111 -0.2893 31 C 3.6963 -1.5474 0.4416 C.ar 1 UNL111111111 0.0751 32 C 4.6091 -2.0123 -0.6248 C.3 1 UNL111111111 -0.2863 33 C 6.0298 -2.2621 -0.0751 C.3 1 UNL111111111 -0.0501 34 C 6.8958 -2.8805 -1.1786 C.3 1 UNL111111111 -0.4560 35 C 6.6659 -0.9622 0.4300 C.3 1 UNL111111111 -0.4587 36 H -8.3192 0.3749 -0.9488 H 1 UNL111111111 0.1570 37 H -7.7187 0.6600 0.7188 H 1 UNL111111111 0.1664 38 H -7.2430 -1.7737 1.0248 H 1 UNL111111111 0.1326 39 H -8.9431 -1.5673 0.5010 H 1 UNL111111111 0.1469 40 H -7.9180 -3.2697 -0.8387 H 1 UNL111111111 0.2562 41 H -5.5451 -2.5269 -0.8627 H 1 UNL111111111 0.1207 42 H -6.2519 -2.7919 -2.4875 H 1 UNL111111111 0.1487 43 H -5.0610 -0.5545 -2.3730 H 1 UNL111111111 0.1442 44 H -6.8074 -0.3493 -2.6944 H 1 UNL111111111 0.1690 45 H -3.6191 0.4009 -1.3870 H 1 UNL111111111 0.1812 46 H -4.7712 0.5946 3.4042 H 1 UNL111111111 0.1694 47 H -2.3600 0.9003 2.7032 H 1 UNL111111111 0.1709 48 H -1.3570 2.8911 0.8267 H 1 UNL111111111 0.1846 49 H -1.2402 -1.1726 -0.5819 H 1 UNL111111111 0.1854 50 H 4.7786 1.1258 0.1878 H 1 UNL111111111 0.3113 51 H 0.7336 0.8788 2.3832 H 1 UNL111111111 0.1627 52 H 1.8394 0.5724 3.7395 H 1 UNL111111111 0.1559 53 H 2.2892 1.7321 2.4797 H 1 UNL111111111 0.1926 54 H 0.3639 -1.9924 2.9078 H 1 UNL111111111 0.1555 55 H 1.4690 -3.4051 2.9479 H 1 UNL111111111 0.1841 56 H 1.7208 -2.0471 4.0923 H 1 UNL111111111 0.1543 57 H 4.2184 -2.9502 -1.0786 H 1 UNL111111111 0.1639 58 H 4.6371 -1.2796 -1.4647 H 1 UNL111111111 0.1891 59 H 5.9556 -2.9815 0.7770 H 1 UNL111111111 0.1362 60 H 6.9553 -2.2247 -2.0551 H 1 UNL111111111 0.1484 61 H 7.9176 -3.0582 -0.8278 H 1 UNL111111111 0.1434 62 H 6.4893 -3.8412 -1.5121 H 1 UNL111111111 0.1439 63 H 6.0797 -0.5301 1.2493 H 1 UNL111111111 0.1449 64 H 7.6761 -1.1411 0.8140 H 1 UNL111111111 0.1427 65 H 6.7441 -0.2178 -0.3689 H 1 UNL111111111 0.1454 @BOND 1 1 2 1 2 1 6 1 3 1 36 1 4 1 37 1 5 2 3 1 6 2 38 1 7 2 39 1 8 3 4 1 9 3 40 1 10 4 5 1 11 4 41 1 12 4 42 1 13 5 6 1 14 5 43 1 15 5 44 1 16 6 7 1 17 7 8 ar 18 7 9 ar 19 8 12 ar 20 8 45 1 21 9 10 ar 22 10 11 ar 23 10 46 1 24 11 12 ar 25 11 47 1 26 12 13 1 27 13 14 ar 28 13 17 ar 29 14 15 ar 30 14 48 1 31 15 16 1 32 15 20 ar 33 17 18 ar 34 17 49 1 35 18 19 1 36 18 20 ar 37 20 21 1 38 21 22 2 39 21 23 2 40 21 24 1 41 24 25 1 42 24 50 1 43 25 26 ar 44 25 31 ar 45 26 27 1 46 26 28 ar 47 27 51 1 48 27 52 1 49 27 53 1 50 28 29 1 51 28 30 ar 52 29 54 1 53 29 55 1 54 29 56 1 55 30 31 ar 56 31 32 1 57 32 33 1 58 32 57 1 59 32 58 1 60 33 34 1 61 33 35 1 62 33 59 1 63 34 60 1 64 34 61 1 65 34 62 1 66 35 63 1 67 35 64 1 68 35 65 1