@MOLECULE 2-(3-hydroxy-2-(((3-hydroxy-2-pyridinyl)carbonyl)amino)phenyl)-4-benzoxazolecarboxylic acid 42 45 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.6260 2.7928 0.3071 O.2 1 UNL11111111 -0.2383 2 O 4.3330 1.6035 -0.2653 O.3 1 UNL11111111 -0.4902 3 O -4.2318 -2.3943 -0.7069 O.3 1 UNL11111111 -0.5726 4 O 3.6271 -0.6101 0.8634 O.2 1 UNL11111111 -0.5197 5 O -2.0240 -2.1470 -0.7652 O.2 1 UNL11111111 -0.4638 6 O 2.8228 -2.6958 -1.5660 O.3 1 UNL11111111 -0.4331 7 N -1.0555 0.6769 -0.2901 N.ar 1 UNL11111111 -0.4355 8 N 1.7032 0.1935 -0.1244 N.am 1 UNL11111111 -0.5321 9 N 1.0480 -2.3733 1.5382 N.ar 1 UNL11111111 -0.2665 10 C 0.7418 2.4271 -0.0806 C.ar 1 UNL11111111 -0.1098 11 C -0.6015 1.8921 -0.0387 C.ar 1 UNL11111111 0.3617 12 C 1.8889 1.5932 -0.1079 C.ar 1 UNL11111111 0.1311 13 C -2.4419 0.7071 -0.1072 C.ar 1 UNL11111111 0.1366 14 C -2.7851 2.0430 0.2622 C.ar 1 UNL11111111 0.0580 15 C -3.4382 -0.2600 -0.2135 C.ar 1 UNL11111111 -0.1304 16 C 0.8631 3.8227 -0.1157 C.ar 1 UNL11111111 -0.1419 17 C 3.1527 2.2349 -0.1752 C.ar 1 UNL11111111 0.2504 18 C -4.0777 2.4494 0.5222 C.ar 1 UNL11111111 -0.1221 19 C 2.1150 4.4199 -0.1819 C.ar 1 UNL11111111 -0.1364 20 C -4.7506 0.1452 0.0474 C.ar 1 UNL11111111 -0.0779 21 C 3.2566 3.6298 -0.2106 C.ar 1 UNL11111111 -0.1829 22 C -5.0604 1.4638 0.4051 C.ar 1 UNL11111111 -0.1674 23 C 2.4989 -0.7843 0.4411 C.2 1 UNL11111111 0.6376 24 C -3.0980 -1.6410 -0.5803 C.2 1 UNL11111111 0.6493 25 C 1.8332 -2.1274 0.4770 C.ar 1 UNL11111111 -0.0307 26 C 2.0241 -3.0734 -0.5462 C.ar 1 UNL11111111 0.2442 27 C 1.3873 -4.3166 -0.4635 C.ar 1 UNL11111111 -0.2417 28 C 0.5769 -4.5604 0.6380 C.ar 1 UNL11111111 -0.1305 29 C 0.4326 -3.5626 1.6186 C.ar 1 UNL11111111 -0.0102 30 H -0.0310 4.4490 -0.0968 H 1 UNL11111111 0.1660 31 H -4.3169 3.4721 0.8025 H 1 UNL11111111 0.1751 32 H 0.7552 -0.1181 -0.4188 H 1 UNL11111111 0.3677 33 H 2.2028 5.5041 -0.2119 H 1 UNL11111111 0.1581 34 H 4.2518 4.0758 -0.2677 H 1 UNL11111111 0.1778 35 H -5.5594 -0.5893 -0.0295 H 1 UNL11111111 0.1805 36 H -6.1011 1.7270 0.5978 H 1 UNL11111111 0.1652 37 H 4.2875 0.6681 0.1327 H 1 UNL11111111 0.3806 38 H 1.5148 -5.0625 -1.2422 H 1 UNL11111111 0.1668 39 H 0.0523 -5.5074 0.7433 H 1 UNL11111111 0.1614 40 H -0.2024 -3.7101 2.4987 H 1 UNL11111111 0.1787 41 H -4.0480 -3.3296 -0.9629 H 1 UNL11111111 0.3545 42 H 2.9114 -3.4025 -2.2562 H 1 UNL11111111 0.3327 @BOND 1 1 11 ar 2 1 14 ar 3 2 17 1 4 2 37 1 5 3 24 1 6 3 41 1 7 4 23 2 8 5 24 2 9 6 26 1 10 6 42 1 11 7 11 ar 12 7 13 ar 13 8 12 1 14 8 23 am 15 8 32 1 16 9 25 ar 17 9 29 ar 18 10 11 1 19 10 12 ar 20 10 16 ar 21 12 17 ar 22 13 14 ar 23 13 15 ar 24 14 18 ar 25 15 20 ar 26 15 24 1 27 16 19 ar 28 16 30 1 29 17 21 ar 30 18 22 ar 31 18 31 1 32 19 21 ar 33 19 33 1 34 20 22 ar 35 20 35 1 36 21 34 1 37 22 36 1 38 23 25 1 39 25 26 ar 40 26 27 ar 41 27 28 ar 42 27 38 1 43 28 29 ar 44 28 39 1 45 29 40 1