@MOLECULE (3s)-5-(3-chloro-4-fluorophenyl)-3-methyl-3-(5-pyrimidinylmethyl)-1-(1h-1,2,4-triazol-3-yl)-1,3-dihydro-2h-indol-2-one 47 51 0 0 0 SMALL GASTEIGER @ATOM 1 CL 6.3452 1.2543 1.1485 Cl 1 UNL1111111111 -0.0312 2 F 6.9008 -0.6489 -0.9615 F 1 UNL1111111111 -0.1411 3 O -3.9183 0.3455 1.9923 O.2 1 UNL1111111111 -0.4826 4 N -2.5868 1.0399 0.2533 N.am 1 UNL1111111111 -0.4503 5 N -4.9304 1.6096 -0.1726 N.ar 1 UNL1111111111 -0.2477 6 N -3.4448 2.2172 -1.7393 N.ar 1 UNL1111111111 -0.4548 7 N -5.6412 2.2367 -1.1446 N.ar 1 UNL1111111111 -0.2446 8 N -3.7258 -2.9597 -0.6987 N.ar 1 UNL1111111111 -0.4129 9 N -1.4279 -3.0831 -1.3512 N.ar 1 UNL1111111111 -0.4225 10 C -1.4774 -0.1533 2.0156 C.3 1 UNL1111111111 0.0239 11 C -0.5211 0.2468 0.9206 C.ar 1 UNL1111111111 -0.1144 12 C -1.6075 -1.6845 2.1385 C.3 1 UNL1111111111 -0.2636 13 C -2.8221 0.4074 1.5053 C.2 1 UNL1111111111 0.5684 14 C -1.2151 0.9326 -0.1096 C.ar 1 UNL1111111111 0.1787 15 C -1.1370 0.4955 3.3482 C.3 1 UNL1111111111 -0.4379 16 C 0.8308 0.0097 0.8052 C.ar 1 UNL1111111111 -0.1131 17 C -0.5732 1.3734 -1.2549 C.ar 1 UNL1111111111 -0.1743 18 C -2.0106 -2.2869 0.8377 C.ar 1 UNL1111111111 -0.1935 19 C 1.4861 0.4385 -0.3602 C.ar 1 UNL1111111111 -0.0484 20 C -3.5778 1.6012 -0.5363 C.ar 1 UNL1111111111 0.3646 21 C 0.7941 1.1084 -1.3697 C.ar 1 UNL1111111111 -0.0895 22 C 2.9176 0.1568 -0.5184 C.ar 1 UNL1111111111 -0.0213 23 C -3.3596 -2.4986 0.5102 C.ar 1 UNL1111111111 0.0867 24 C -1.0617 -2.6208 -0.1426 C.ar 1 UNL1111111111 0.0968 25 C 3.8453 0.7849 0.3174 C.ar 1 UNL1111111111 -0.1417 26 C 3.3418 -0.7427 -1.5024 C.ar 1 UNL1111111111 -0.1154 27 C -4.7368 2.5979 -2.0868 C.ar 1 UNL1111111111 0.0933 28 C -2.7507 -3.2261 -1.5973 C.ar 1 UNL1111111111 0.2225 29 C 5.1940 0.5030 0.1533 C.ar 1 UNL1111111111 -0.0675 30 C 4.6949 -1.0280 -1.6652 C.ar 1 UNL1111111111 -0.1986 31 C 5.6109 -0.3950 -0.8274 C.ar 1 UNL1111111111 0.1636 32 H -2.3421 -1.9307 2.9383 H 1 UNL1111111111 0.1757 33 H -0.6426 -2.1070 2.4926 H 1 UNL1111111111 0.1682 34 H -1.9227 0.3219 4.0976 H 1 UNL1111111111 0.1689 35 H -1.0154 1.5841 3.2498 H 1 UNL1111111111 0.1663 36 H -0.1953 0.1044 3.7547 H 1 UNL1111111111 0.1616 37 H 1.3825 -0.5049 1.5898 H 1 UNL1111111111 0.1644 38 H -1.1147 1.9034 -2.0460 H 1 UNL1111111111 0.2114 39 H 1.3252 1.4338 -2.2666 H 1 UNL1111111111 0.1675 40 H -4.1745 -2.2872 1.2180 H 1 UNL1111111111 0.1925 41 H 0.0168 -2.5075 0.0274 H 1 UNL1111111111 0.1816 42 H -5.3758 1.2441 0.6545 H 1 UNL1111111111 0.3667 43 H 3.5073 1.4903 1.0787 H 1 UNL1111111111 0.1796 44 H 2.6021 -1.2287 -2.1438 H 1 UNL1111111111 0.1767 45 H -4.9681 3.1183 -3.0022 H 1 UNL1111111111 0.2053 46 H -3.0535 -3.5872 -2.5930 H 1 UNL1111111111 0.2014 47 H 5.0288 -1.7293 -2.4303 H 1 UNL1111111111 0.1809 @BOND 1 1 29 1 2 2 31 1 3 3 13 2 4 4 13 am 5 4 14 1 6 4 20 1 7 5 7 ar 8 5 20 ar 9 5 42 1 10 6 20 ar 11 6 27 ar 12 7 27 ar 13 8 23 ar 14 8 28 ar 15 9 24 ar 16 9 28 ar 17 10 11 1 18 10 12 1 19 10 13 1 20 10 15 1 21 11 14 ar 22 11 16 ar 23 12 18 1 24 12 32 1 25 12 33 1 26 14 17 ar 27 15 34 1 28 15 35 1 29 15 36 1 30 16 19 ar 31 16 37 1 32 17 21 ar 33 17 38 1 34 18 23 ar 35 18 24 ar 36 19 21 ar 37 19 22 1 38 21 39 1 39 22 25 ar 40 22 26 ar 41 23 40 1 42 24 41 1 43 25 29 ar 44 25 43 1 45 26 30 ar 46 26 44 1 47 27 45 1 48 28 46 1 49 29 31 ar 50 30 31 ar 51 30 47 1