@MOLECULE 4-(1-isopropyl-2-methyl-1h-imidazol-5-yl)-n-[4-(methylsulfonyl)phenyl]-2-pyrimidinamine 47 49 0 0 0 SMALL GASTEIGER @ATOM 1 S -4.6833 0.8693 -0.2304 S.O2 1 UNL1111111111 2.2418 2 O -4.6789 1.5300 -1.5192 O.2 1 UNL1111111111 -0.9135 3 O -5.8607 0.1781 0.2540 O.2 1 UNL1111111111 -0.9197 4 N 2.8859 1.5844 0.2838 N.ar 1 UNL1111111111 -0.2570 5 N 4.2691 2.3141 -1.3422 N.ar 1 UNL1111111111 -0.3961 6 N 1.5924 -1.2172 -0.2229 N.ar 1 UNL1111111111 -0.5371 7 N -0.0789 -2.8951 0.0102 N.pl3 1 UNL1111111111 -0.4892 8 N 2.1484 -3.5654 0.0465 N.ar 1 UNL1111111111 -0.5040 9 C 2.0133 1.6363 1.4663 C.3 1 UNL1111111111 0.1264 10 C 3.2954 0.4665 -0.4486 C.ar 1 UNL1111111111 -0.0862 11 C 3.5043 2.6947 -0.2928 C.ar 1 UNL1111111111 0.2305 12 C 2.3584 0.5286 2.4673 C.3 1 UNL1111111111 -0.4805 13 C 0.5433 1.5732 1.0400 C.3 1 UNL1111111111 -0.4900 14 C 2.9102 -0.9200 -0.2606 C.ar 1 UNL1111111111 0.3297 15 C 4.1590 0.9483 -1.4495 C.ar 1 UNL1111111111 -0.0273 16 C 3.3461 4.0855 0.1748 C.3 1 UNL1111111111 -0.4392 17 C 3.8892 -1.9237 -0.1687 C.ar 1 UNL1111111111 -0.4007 18 C 1.2508 -2.5300 -0.0695 C.ar 1 UNL1111111111 0.5164 19 C -3.3366 -0.2632 -0.1955 C.ar 1 UNL1111111111 -0.4390 20 C -1.1599 -1.9925 -0.0918 C.ar 1 UNL1111111111 0.2574 21 C 3.4495 -3.2440 -0.0148 C.ar 1 UNL1111111111 0.1735 22 C -3.3819 -1.3862 0.6290 C.ar 1 UNL1111111111 -0.0268 23 C -2.2299 -0.0388 -1.0127 C.ar 1 UNL1111111111 -0.0271 24 C -2.2993 -2.2560 0.6890 C.ar 1 UNL1111111111 -0.2702 25 C -1.1375 -0.8965 -0.9659 C.ar 1 UNL1111111111 -0.2233 26 C -4.2466 2.0960 0.9934 C.3 1 UNL1111111111 -0.7573 27 H 2.2048 2.6305 1.9654 H 1 UNL1111111111 0.1429 28 H 1.9576 -0.4451 2.1607 H 1 UNL1111111111 0.1664 29 H 1.9330 0.7509 3.4532 H 1 UNL1111111111 0.1607 30 H 3.4426 0.4142 2.5900 H 1 UNL1111111111 0.1634 31 H -0.1206 1.5890 1.9092 H 1 UNL1111111111 0.1544 32 H 0.3280 0.6454 0.4812 H 1 UNL1111111111 0.1954 33 H 0.2762 2.4058 0.3807 H 1 UNL1111111111 0.1547 34 H 4.6746 0.3997 -2.2157 H 1 UNL1111111111 0.1856 35 H 2.2953 4.4116 0.1656 H 1 UNL1111111111 0.1644 36 H 3.7481 4.2330 1.1889 H 1 UNL1111111111 0.1652 37 H 3.9017 4.7765 -0.4898 H 1 UNL1111111111 0.1932 38 H 4.9440 -1.6782 -0.2071 H 1 UNL1111111111 0.1940 39 H -0.2754 -3.8666 0.2538 H 1 UNL1111111111 0.3404 40 H -4.2708 -1.6009 1.2348 H 1 UNL1111111111 0.1694 41 H -2.2088 0.8060 -1.7137 H 1 UNL1111111111 0.1759 42 H -2.3324 -3.1233 1.3425 H 1 UNL1111111111 0.1614 43 H -0.2709 -0.7140 -1.6053 H 1 UNL1111111111 0.1918 44 H 4.1515 -4.0859 0.0691 H 1 UNL1111111111 0.1811 45 H -4.9438 2.9441 0.9570 H 1 UNL1111111111 0.1888 46 H -4.2943 1.6959 2.0116 H 1 UNL1111111111 0.1801 47 H -3.2451 2.5074 0.8340 H 1 UNL1111111111 0.1791 @BOND 1 1 2 2 2 1 3 2 3 1 19 1 4 1 26 1 5 4 9 1 6 4 10 ar 7 4 11 ar 8 5 11 ar 9 5 15 ar 10 6 14 ar 11 6 18 ar 12 7 18 1 13 7 20 1 14 7 39 1 15 8 18 ar 16 8 21 ar 17 9 12 1 18 9 13 1 19 9 27 1 20 10 14 1 21 10 15 ar 22 11 16 1 23 12 28 1 24 12 29 1 25 12 30 1 26 13 31 1 27 13 32 1 28 13 33 1 29 14 17 ar 30 15 34 1 31 16 35 1 32 16 36 1 33 16 37 1 34 17 21 ar 35 17 38 1 36 19 22 ar 37 19 23 ar 38 20 24 ar 39 20 25 ar 40 21 44 1 41 22 24 ar 42 22 40 1 43 23 25 ar 44 23 41 1 45 24 42 1 46 25 43 1 47 26 45 1 48 26 46 1 49 26 47 1