@MOLECULE 2-ammonio-4-oxobutanoate 15 14 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.1597 -0.3867 -0.9829 O.2 1 UNL1111111111 -0.4846 2 C 1.5599 0.1247 -0.0783 C.2 1 UNL1111111111 0.6188 3 OXT 2.0300 1.2199 0.5652 O.3 1 UNL1111111111 -0.5586 4 CA 0.2058 -0.2668 0.4968 C.3 1 UNL1111111111 0.0057 5 N 0.1411 -1.7358 0.5030 N.3 1 UNL1111111111 -0.6364 6 C -0.8736 0.4267 -0.3509 C.3 1 UNL1111111111 -0.4578 7 C -2.2374 0.3079 0.2818 C.2 1 UNL1111111111 0.3467 8 O -3.2370 0.2949 -0.3887 O.2 1 UNL1111111111 -0.4169 9 HA 0.1411 0.0753 1.5702 H 1 UNL1111111111 0.1837 10 H1 -0.7904 -2.0773 0.6748 H 1 UNL1111111111 0.2626 11 H2 0.4984 -2.1438 -0.3508 H 1 UNL1111111111 0.2735 12 H -0.6400 1.5079 -0.4812 H 1 UNL1111111111 0.1940 13 H -0.8911 0.0217 -1.3863 H 1 UNL1111111111 0.1927 14 H -2.2853 0.2438 1.3764 H 1 UNL1111111111 0.1157 15 HXT 2.9156 1.5251 0.2436 H 1 UNL1111111111 0.3606 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 15 1 5 4 5 1 6 4 6 1 7 4 9 1 8 5 10 1 9 5 11 1 10 6 7 1 11 6 12 1 12 6 13 1 13 7 8 2 14 7 14 1