@MOLECULE (2s)-2-ammonio-3-(5-oxo-1,2-oxazol-2(5h)-yl)propanoate 20 20 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.2584 0.4083 -0.4992 O.2 1 UNL1111111111 -0.1950 2 O 1.8367 1.8051 0.4363 O.3 1 UNL1111111111 -0.5212 3 OXT 3.0219 0.0253 1.0934 O.2 1 UNL1111111111 -0.5207 4 O -3.3878 0.9925 -0.8947 O.2 1 UNL1111111111 -0.4123 5 N -0.5831 -0.3752 0.4781 N.ar 1 UNL1111111111 -0.2084 6 N 2.4550 -1.0017 -1.5729 N.3 1 UNL1111111111 -0.6337 7 C 0.4401 -1.1665 -0.2233 C.3 1 UNL1111111111 -0.1321 8 CA 1.5058 -0.1942 -0.8016 C.3 1 UNL1111111111 -0.0054 9 C -1.5854 -1.0795 1.2050 C.ar 1 UNL1111111111 0.0563 10 C 2.2044 0.5124 0.3574 C.2 1 UNL1111111111 0.5893 11 C -2.8164 -0.6362 0.8610 C.ar 1 UNL1111111111 -0.3652 12 C -2.6495 0.3227 -0.2370 C.ar 1 UNL1111111111 0.5314 13 H 0.9069 -1.8710 0.5024 H 1 UNL1111111111 0.1703 14 H 0.0262 -1.7776 -1.0608 H 1 UNL1111111111 0.1752 15 HA 1.0063 0.5584 -1.4744 H 1 UNL1111111111 0.1984 16 H -1.2805 -1.7780 1.9723 H 1 UNL1111111111 0.1814 17 H1 3.0709 -1.5457 -0.9835 H 1 UNL1111111111 0.2705 18 H2 3.0023 -0.4521 -2.2161 H 1 UNL1111111111 0.2676 19 H -3.7763 -0.8736 1.2737 H 1 UNL1111111111 0.1981 20 H 2.2316 2.2919 1.2049 H 1 UNL1111111111 0.3556 @BOND 1 1 5 ar 2 1 12 ar 3 2 10 1 4 2 20 1 5 3 10 2 6 4 12 2 7 5 7 1 8 5 9 ar 9 6 8 1 10 6 17 1 11 6 18 1 12 7 8 1 13 7 13 1 14 7 14 1 15 8 10 1 16 8 15 1 17 9 11 ar 18 9 16 1 19 11 12 ar 20 11 19 1