@MOLECULE 2-(ethoxymethyl)-4-(4-fluorophenyl)-3-[2-(2-hydroxyphenoxy)pyrimidin-4-yl]isoxazol-5(2h)-one 49 52 0 0 0 SMALL GASTEIGER @ATOM 1 C -1.9663 0.8099 -0.7725 C.ar 1 UNL1111111111 0.1193 2 N -2.9405 1.8319 -0.9520 N.ar 1 UNL1111111111 -0.2549 3 O -4.1945 1.2617 -0.6082 O.2 1 UNL1111111111 -0.1372 4 C -3.9980 -0.1039 -0.3188 C.ar 1 UNL1111111111 0.5175 5 C -2.5516 -0.3782 -0.4554 C.ar 1 UNL1111111111 -0.1899 6 C -2.7985 3.1027 -0.2031 C.3 1 UNL1111111111 0.1110 7 O -2.9622 2.9466 1.1677 O.3 1 UNL1111111111 -0.3947 8 C -1.8167 2.5236 1.9125 C.3 1 UNL1111111111 -0.0261 9 C -2.2977 2.5753 3.3555 C.3 1 UNL1111111111 -0.4495 10 C -0.5565 1.0800 -1.0759 C.ar 1 UNL1111111111 0.2463 11 C -0.1314 1.3397 -2.3848 C.ar 1 UNL1111111111 -0.3497 12 C 1.2472 1.4915 -2.5924 C.ar 1 UNL1111111111 0.1547 13 N 2.1288 1.3889 -1.5825 N.ar 1 UNL1111111111 -0.4717 14 C 1.6185 1.1514 -0.3466 C.ar 1 UNL1111111111 0.4837 15 N 0.3021 1.0037 -0.0359 N.ar 1 UNL1111111111 -0.4551 16 O 2.4178 1.0583 0.7425 O.3 1 UNL1111111111 -0.2203 17 C 3.7548 0.7623 0.4787 C.ar 1 UNL1111111111 0.0048 18 C 4.6861 1.7684 0.2633 C.ar 1 UNL1111111111 -0.0896 19 C 6.0288 1.4121 0.1555 C.ar 1 UNL1111111111 -0.2014 20 C 6.4157 0.0718 0.2486 C.ar 1 UNL1111111111 -0.0812 21 C 5.4798 -0.9365 0.4558 C.ar 1 UNL1111111111 -0.2308 22 C 4.1318 -0.5849 0.5674 C.ar 1 UNL1111111111 0.2558 23 O 3.2414 -1.5831 0.7632 O.3 1 UNL1111111111 -0.4363 24 C -1.9624 -1.6812 -0.2637 C.ar 1 UNL1111111111 -0.0122 25 C -2.4765 -2.5352 0.7224 C.ar 1 UNL1111111111 -0.0774 26 C -1.8912 -3.7752 0.9534 C.ar 1 UNL1111111111 -0.2163 27 C -0.7943 -4.1406 0.1735 C.ar 1 UNL1111111111 0.2127 28 C -0.2698 -3.3235 -0.8269 C.ar 1 UNL1111111111 -0.2213 29 C -0.8707 -2.0877 -1.0421 C.ar 1 UNL1111111111 -0.1121 30 F -0.2290 -5.3190 0.3881 F 1 UNL1111111111 -0.1747 31 O -4.9495 -0.7739 -0.0476 O.2 1 UNL1111111111 -0.4072 32 H -3.6620 3.7575 -0.4804 H 1 UNL1111111111 0.1747 33 H -1.8295 3.5631 -0.4857 H 1 UNL1111111111 0.1353 34 H -0.9746 3.2077 1.7206 H 1 UNL1111111111 0.1171 35 H -1.5365 1.4976 1.6090 H 1 UNL1111111111 0.1422 36 H -1.5394 2.1703 4.0354 H 1 UNL1111111111 0.1561 37 H -2.5277 3.6012 3.6668 H 1 UNL1111111111 0.1525 38 H -3.2171 1.9863 3.4837 H 1 UNL1111111111 0.1623 39 H -0.8423 1.4121 -3.2042 H 1 UNL1111111111 0.2026 40 H 1.6733 1.6943 -3.5850 H 1 UNL1111111111 0.1858 41 H 4.3638 2.8049 0.1756 H 1 UNL1111111111 0.1696 42 H 6.7791 2.1819 -0.0091 H 1 UNL1111111111 0.1587 43 H 7.4706 -0.1891 0.1558 H 1 UNL1111111111 0.1528 44 H 5.7714 -1.9820 0.5283 H 1 UNL1111111111 0.1802 45 H 2.3169 -1.2223 0.8541 H 1 UNL1111111111 0.3401 46 H -3.3439 -2.2238 1.3104 H 1 UNL1111111111 0.1745 47 H -2.2823 -4.4392 1.7223 H 1 UNL1111111111 0.1745 48 H 0.5821 -3.6406 -1.4253 H 1 UNL1111111111 0.1742 49 H -0.4922 -1.4375 -1.8292 H 1 UNL1111111111 0.1507 @BOND 1 1 2 ar 2 1 5 ar 3 1 10 1 4 2 3 ar 5 2 6 1 6 3 4 ar 7 4 5 ar 8 4 31 2 9 5 24 1 10 6 7 1 11 6 32 1 12 6 33 1 13 7 8 1 14 8 9 1 15 8 34 1 16 8 35 1 17 9 36 1 18 9 37 1 19 9 38 1 20 10 11 ar 21 10 15 ar 22 11 12 ar 23 11 39 1 24 12 13 ar 25 12 40 1 26 13 14 ar 27 14 15 ar 28 14 16 1 29 16 17 1 30 17 18 ar 31 17 22 ar 32 18 19 ar 33 18 41 1 34 19 20 ar 35 19 42 1 36 20 21 ar 37 20 43 1 38 21 22 ar 39 21 44 1 40 22 23 1 41 23 45 1 42 24 25 ar 43 24 29 ar 44 25 26 ar 45 25 46 1 46 26 27 ar 47 26 47 1 48 27 28 ar 49 27 30 1 50 28 29 ar 51 28 48 1 52 29 49 1