@MOLECULE 2-oxo-histidine 19 19 0 0 0 SMALL GASTEIGER @ATOM 1 C 3.0453 0.3324 0.1512 C.2 1 UNL111111111 0.5944 2 N 1.7705 1.0481 -0.1062 N.am 1 UNL111111111 -0.4503 3 N 2.7859 -1.1171 -0.0627 N.am 1 UNL111111111 -0.4251 4 C 1.5507 -1.2508 -0.3855 C.2 1 UNL111111111 0.0760 5 C 0.8832 0.1654 -0.4180 C.2 1 UNL111111111 0.1893 6 C -0.5382 0.3889 -0.7493 C.3 1 UNL111111111 -0.2954 7 CA -1.4345 -0.2100 0.3567 C.3 1 UNL111111111 0.0046 8 N -1.3332 -1.6746 0.3438 N.3 1 UNL111111111 -0.6353 9 C -2.8754 0.2448 0.1379 C.2 1 UNL111111111 0.5731 10 O -3.8398 -0.4630 0.0295 O.2 1 UNL111111111 -0.4943 11 OXT -2.9587 1.5907 0.0914 O.3 1 UNL111111111 -0.5434 12 O 4.0706 0.8222 0.4758 O.2 1 UNL111111111 -0.2806 13 H 1.0014 -2.1588 -0.5905 H 1 UNL111111111 0.2100 14 H -0.7490 1.4853 -0.8505 H 1 UNL111111111 0.2056 15 H -0.7801 -0.0556 -1.7403 H 1 UNL111111111 0.1792 16 HA -1.0906 0.1755 1.3604 H 1 UNL111111111 0.1887 17 H1 -1.6883 -2.0901 1.1949 H 1 UNL111111111 0.2711 18 H2 -1.8218 -2.0889 -0.4400 H 1 UNL111111111 0.2690 19 HXT -3.8822 1.9344 -0.0291 H 1 UNL111111111 0.3636 @BOND 1 1 2 1 2 1 3 1 3 1 12 2 4 2 5 2 5 3 4 2 6 4 5 1 7 4 13 1 8 5 6 1 9 6 7 1 10 6 14 1 11 6 15 1 12 7 8 1 13 7 9 1 14 7 16 1 15 8 17 1 16 8 18 1 17 9 10 2 18 9 11 1 19 11 19 1