@MOLECULE 2-amino-4,5-dihydroxy-5-iminopentanoic acid (non-preferred name) 21 20 0 0 0 SMALL GASTEIGER @ATOM 1 N 1.1509 1.6003 0.9132 N.3 1 UNL111111111 -0.6329 2 CA 1.2344 0.1773 0.5525 C.3 1 UNL111111111 0.0003 3 C 2.5161 -0.1198 -0.2175 C.2 1 UNL111111111 0.5750 4 O 3.3745 0.6652 -0.5223 O.2 1 UNL111111111 -0.5130 5 C 0.0166 -0.2090 -0.3039 C.3 1 UNL111111111 -0.3196 6 C -1.2477 -0.1827 0.5697 C.3 1 UNL111111111 0.0837 7 O -1.4522 -1.4379 1.1564 O.3 1 UNL111111111 -0.5313 8 C -2.4607 0.1862 -0.2892 C.2 1 UNL111111111 0.5302 9 O -3.1930 -0.6565 -0.7654 O.2 1 UNL111111111 -0.5301 10 N -2.6743 1.5280 -0.5097 N.am 1 UNL111111111 -0.6812 11 H1 1.8043 1.8477 1.6419 H 1 UNL111111111 0.2632 12 H2 1.3146 2.2057 0.1205 H 1 UNL111111111 0.2630 13 HA 1.2309 -0.4430 1.4960 H 1 UNL111111111 0.1917 14 H -0.0794 0.4657 -1.1747 H 1 UNL111111111 0.1585 15 H 0.1539 -1.2315 -0.7209 H 1 UNL111111111 0.1847 16 H -1.1385 0.4966 1.4521 H 1 UNL111111111 0.1810 17 H -1.9438 -2.0392 0.5442 H 1 UNL111111111 0.3401 18 H -2.0787 2.2283 -0.1226 H 1 UNL111111111 0.3108 19 H -3.4531 1.8349 -1.0561 H 1 UNL111111111 0.3126 20 OXT 2.6078 -1.4312 -0.5289 O.3 1 UNL111111111 -0.5458 21 HXT 3.4353 -1.6707 -1.0194 H 1 UNL111111111 0.3591 @BOND 1 1 2 1 2 1 11 1 3 1 12 1 4 2 3 1 5 2 5 1 6 2 13 1 7 3 4 2 8 3 20 1 9 5 6 1 10 5 14 1 11 5 15 1 12 6 7 1 13 6 8 1 14 6 16 1 15 7 17 1 16 8 9 2 17 8 10 am 18 10 18 1 19 10 19 1 20 20 21 1