@MOLECULE amino(1,2-thiazol-4-yl)acetic acid 16 16 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.7421 0.2259 -0.2241 S.2 1 UNL1111111111 0.4087 2 O 1.7468 1.6929 -0.4374 O.3 1 UNL1111111111 -0.5397 3 OXT 3.0024 0.2484 0.7178 O.2 1 UNL1111111111 -0.5003 4 N 1.5308 -1.9602 -0.2476 N.3 1 UNL1111111111 -0.6156 5 N -1.9603 0.0534 1.3214 N.ar 1 UNL1111111111 -0.4107 6 CA 1.1493 -0.5951 -0.6431 C.3 1 UNL1111111111 0.0097 7 C -0.2564 -0.2957 -0.2495 C.ar 1 UNL1111111111 -0.1255 8 C -1.2895 -0.0767 -1.1142 C.ar 1 UNL1111111111 -0.2613 9 C -0.6915 -0.2099 1.1369 C.ar 1 UNL1111111111 0.0008 10 C 2.0779 0.4523 -0.0227 C.2 1 UNL1111111111 0.5758 11 HA 1.2695 -0.5353 -1.7674 H 1 UNL1111111111 0.1905 12 H -1.2489 -0.0855 -2.1902 H 1 UNL1111111111 0.1862 13 H -0.0176 -0.3470 1.9827 H 1 UNL1111111111 0.1884 14 H1 1.1426 -2.2226 0.6454 H 1 UNL1111111111 0.2602 15 H2 2.5353 -2.0806 -0.2192 H 1 UNL1111111111 0.2733 16 H 2.3247 2.4079 -0.0621 H 1 UNL1111111111 0.3595 @BOND 1 1 5 ar 2 1 8 ar 3 2 10 1 4 2 16 1 5 3 10 2 6 4 6 1 7 4 14 1 8 4 15 1 9 5 9 ar 10 6 7 1 11 6 10 1 12 6 11 1 13 7 8 ar 14 7 9 ar 15 8 12 1 16 9 13 1