@MOLECULE isopropyl [3-({[4-(1h-pyrazol-1-yl)benzyl](3-pyridinylsulfonyl)amino}methyl)phenoxy]acetate 65 68 0 0 0 SMALL GASTEIGER @ATOM 1 S 3.3271 -0.3404 -0.6780 S.O2 1 UNL11 2.3809 2 O 2.6503 0.5154 -1.6234 O.2 1 UNL11 -0.9167 3 O 3.5101 -1.7546 -0.9034 O.2 1 UNL11 -0.9015 4 O -2.7498 -2.3132 1.7937 O.3 1 UNL11 -0.3422 5 O -2.9483 -0.9771 -0.7953 O.3 1 UNL11 -0.4489 6 O -5.0838 -1.5708 -0.3983 O.2 1 UNL11 -0.5017 7 N 2.6043 -0.1511 0.8911 N.3 1 UNL11 -0.7755 8 N -3.4438 2.3450 0.2634 N.ar 1 UNL11 -0.0965 9 N 6.3629 2.2842 -0.5278 N.ar 1 UNL11 -0.3889 10 N -4.4200 1.9042 1.1053 N.ar 1 UNL11 -0.2683 11 C 2.0459 1.1527 1.2651 C.3 1 UNL11 -0.0555 12 C 2.0535 -1.3209 1.5871 C.3 1 UNL11 -0.0517 13 C 0.5854 1.3982 0.9755 C.ar 1 UNL11 -0.0480 14 C 0.8070 -1.9553 1.0128 C.ar 1 UNL11 -0.0336 15 C 4.9131 0.3690 -0.4004 C.ar 1 UNL11 -0.4729 16 C -0.3003 1.5377 2.0467 C.ar 1 UNL11 -0.1434 17 C 0.1264 1.5701 -0.3305 C.ar 1 UNL11 -0.1056 18 C -0.4342 -1.7059 1.5995 C.ar 1 UNL11 -0.2198 19 C 0.9084 -2.8775 -0.0299 C.ar 1 UNL11 -0.1754 20 C -2.0839 2.0252 0.5091 C.ar 1 UNL11 0.1622 21 C -1.6355 1.8526 1.8246 C.ar 1 UNL11 -0.1830 22 C -1.2069 1.8816 -0.5726 C.ar 1 UNL11 -0.2018 23 C -1.5444 -2.4025 1.1284 C.ar 1 UNL11 0.2050 24 C 5.9405 -0.3903 0.1570 C.ar 1 UNL11 0.0007 25 C 5.1686 1.7032 -0.7438 C.ar 1 UNL11 0.1178 26 C -0.2202 -3.5484 -0.4990 C.ar 1 UNL11 -0.1366 27 C -1.4636 -3.3212 0.0812 C.ar 1 UNL11 -0.1892 28 C 7.1809 0.2052 0.3758 C.ar 1 UNL11 -0.2724 29 C 7.3489 1.5511 0.0239 C.ar 1 UNL11 0.0925 30 C -3.9848 3.0402 -0.8115 C.ar 1 UNL11 -0.0707 31 C -3.5365 -1.1887 1.4507 C.3 1 UNL11 -0.1061 32 C -5.3670 3.0397 -0.6327 C.ar 1 UNL11 -0.2759 33 C -3.1129 -1.1081 -2.2200 C.3 1 UNL11 0.1895 34 C -5.5954 2.3154 0.5773 C.ar 1 UNL11 -0.0416 35 C -3.9896 -1.2779 0.0050 C.2 1 UNL11 0.5791 36 C -1.6770 -1.0537 -2.7304 C.3 1 UNL11 -0.4818 37 C -3.9686 0.0410 -2.7341 C.3 1 UNL11 -0.4971 38 H 2.6435 1.9624 0.7741 H 1 UNL11 0.1442 39 H 2.2403 1.2822 2.3623 H 1 UNL11 0.1443 40 H 1.8685 -1.0294 2.6506 H 1 UNL11 0.1438 41 H 2.8626 -2.0982 1.6295 H 1 UNL11 0.1565 42 H 0.0514 1.4076 3.0697 H 1 UNL11 0.1523 43 H 0.8107 1.4606 -1.1823 H 1 UNL11 0.2049 44 H -0.5449 -0.9977 2.4154 H 1 UNL11 0.1656 45 H 1.8809 -3.0952 -0.4839 H 1 UNL11 0.1933 46 H -2.3303 1.9677 2.6595 H 1 UNL11 0.1879 47 H -1.5607 1.9951 -1.5960 H 1 UNL11 0.1678 48 H 5.7906 -1.4454 0.4166 H 1 UNL11 0.1761 49 H 4.4102 2.3504 -1.2192 H 1 UNL11 0.1943 50 H -0.1229 -4.2608 -1.3168 H 1 UNL11 0.1538 51 H -2.3564 -3.8412 -0.2580 H 1 UNL11 0.1727 52 H 8.0028 -0.3583 0.8072 H 1 UNL11 0.1686 53 H 8.3004 2.0745 0.1787 H 1 UNL11 0.1685 54 H -3.3835 3.4832 -1.5795 H 1 UNL11 0.1750 55 H -2.9937 -0.2450 1.6495 H 1 UNL11 0.1667 56 H -4.4008 -1.2785 2.1428 H 1 UNL11 0.1856 57 H -6.1090 3.4815 -1.2578 H 1 UNL11 0.1749 58 H -3.5903 -2.0938 -2.4176 H 1 UNL11 0.1327 59 H -6.5353 2.0892 1.0478 H 1 UNL11 0.1841 60 H -1.6367 -1.1247 -3.8208 H 1 UNL11 0.1552 61 H -1.0744 -1.8709 -2.3088 H 1 UNL11 0.1654 62 H -1.1766 -0.1241 -2.4296 H 1 UNL11 0.1607 63 H -4.0180 0.0470 -3.8273 H 1 UNL11 0.1538 64 H -4.9989 -0.0388 -2.3547 H 1 UNL11 0.1737 65 H -3.5814 1.0112 -2.4054 H 1 UNL11 0.1520 @BOND 1 1 2 2 2 1 3 2 3 1 7 1 4 1 15 1 5 4 23 1 6 4 31 1 7 5 33 1 8 5 35 1 9 6 35 2 10 7 11 1 11 7 12 1 12 8 10 ar 13 8 20 1 14 8 30 ar 15 9 25 ar 16 9 29 ar 17 10 34 ar 18 11 13 1 19 11 38 1 20 11 39 1 21 12 14 1 22 12 40 1 23 12 41 1 24 13 16 ar 25 13 17 ar 26 14 18 ar 27 14 19 ar 28 15 24 ar 29 15 25 ar 30 16 21 ar 31 16 42 1 32 17 22 ar 33 17 43 1 34 18 23 ar 35 18 44 1 36 19 26 ar 37 19 45 1 38 20 21 ar 39 20 22 ar 40 21 46 1 41 22 47 1 42 23 27 ar 43 24 28 ar 44 24 48 1 45 25 49 1 46 26 27 ar 47 26 50 1 48 27 51 1 49 28 29 ar 50 28 52 1 51 29 53 1 52 30 32 ar 53 30 54 1 54 31 35 1 55 31 55 1 56 31 56 1 57 32 34 ar 58 32 57 1 59 33 36 1 60 33 37 1 61 33 58 1 62 34 59 1 63 36 60 1 64 36 61 1 65 36 62 1 66 37 63 1 67 37 64 1 68 37 65 1