@MOLECULE (2R)-3-hydroxy-2-[(3-hydroxyquinoline-2-carbonyl)amino]propanoic acid 32 33 0 0 0 SMALL GASTEIGER @ATOM 1 N 1.0609 0.4888 -0.0642 N.ar 1 UNK111111111 -0.4019 2 C 0.6628 -0.7710 0.0581 C.ar 1 UNK111111111 0.3014 3 C 1.5897 -1.8572 0.1718 C.ar 1 UNK111111111 -0.1780 4 C 2.9493 -1.5875 0.1856 C.ar 1 UNK111111111 -0.2478 5 C 4.7529 0.1228 0.0804 C.ar 0 UNK0 -0.3351 6 C 5.1111 1.4369 -0.0393 C.ar 0 UNK0 -0.0884 7 C 4.1242 2.4551 -0.1759 C.ar 0 UNK0 -0.2181 8 C 2.7959 2.1397 -0.1877 C.ar 0 UNK0 -0.2513 9 C 2.3924 0.7714 -0.0608 C.ar 0 UNK0 0.2392 10 C 3.3776 -0.2517 0.0713 C.ar 0 UNK0 0.0802 11 C -0.8040 -1.0457 0.0763 C.2 1 UNK1 0.1407 12 O -1.2418 -2.1937 0.0473 O.2 1 UNK1 -0.3361 13 O 1.2070 -3.1358 0.2676 O.3 1 UNK1 -0.2200 14 N -1.6573 0.0200 0.1278 N.am 2 UNK2 -0.5399 15 C -3.0991 -0.2223 0.1541 C.3 2 UNK2 0.3861 16 C -3.7772 0.9991 0.7463 C.2 2 UNK2 0.1162 17 O -3.3089 2.0870 0.9427 O.2 2 UNK2 -0.2921 18 C -3.6440 -0.4685 -1.2761 C.3 2 UNK2 -0.4572 19 O -3.5012 0.6820 -2.0684 O.3 2 UNK2 -0.3536 20 O -5.0540 0.6910 1.0732 O.3 2 UNK2 -0.4187 21 H 3.6673 -2.4010 0.2811 H 1 UNK1 0.2621 22 H 0.1905 -3.2106 0.2087 H 1 UNK1 0.3200 23 H 5.5033 -0.6597 0.1854 H 0 UNK0 0.2183 24 H 6.1609 1.7319 -0.0322 H 0 UNK0 0.1813 25 H 4.4545 3.4889 -0.2697 H 0 UNK0 0.1986 26 H 2.0178 2.8984 -0.2888 H 0 UNK0 0.2362 27 H -1.3228 0.9828 0.1776 H 2 UNK2 0.3896 28 H -3.3244 -1.1337 0.7877 H 2 UNK2 0.1330 29 H -3.1277 -1.3264 -1.7480 H 2 UNK2 0.1896 30 H -4.7378 -0.6449 -1.2642 H 2 UNK2 0.2721 31 H -5.5707 1.4602 1.4260 H 2 UNK2 0.3651 32 H -2.5516 0.9087 -2.1772 H 2 UNK2 0.3085 @BOND 1 1 2 ar 2 1 9 ar 3 2 3 ar 4 2 11 1 5 3 4 ar 6 3 13 1 7 4 10 ar 8 4 21 1 9 5 6 ar 10 5 10 ar 11 5 23 1 12 6 7 ar 13 6 24 1 14 7 8 ar 15 7 25 1 16 8 9 ar 17 8 26 1 18 9 10 ar 19 11 12 2 20 11 14 am 21 13 22 1 22 14 15 1 23 14 27 1 24 15 16 1 25 15 18 1 26 15 28 1 27 16 17 2 28 16 20 1 29 18 19 1 30 18 29 1 31 18 30 1 32 19 32 1 33 20 31 1