@MOLECULE 3-(4-oxo-4,5-dihydro-1,2,5-thiadiazol-3-yl)-l-alanine 19 19 0 0 0 SMALL GASTEIGER @ATOM 1 C -1.5800 0.9147 -0.3706 C.ar 1 UNL1111111111 0.3070 2 C -0.7704 -0.3381 -0.3490 C.ar 1 UNL1111111111 0.0994 3 N -1.4769 -1.3685 0.0175 N.ar 1 UNL1111111111 -0.4237 4 C 0.6659 -0.3702 -0.7206 C.3 1 UNL1111111111 -0.2937 5 CA 1.5685 -0.1569 0.5158 C.3 1 UNL1111111111 0.0091 6 O -0.9920 2.0636 -0.7305 O.3 1 UNL1111111111 -0.4378 7 O 3.8723 0.6162 0.1900 O.2 1 UNL1111111111 -0.4959 8 C 3.0218 -0.2234 0.0636 C.2 1 UNL1111111111 0.5933 9 OXT 3.2806 -1.4108 -0.5332 O.3 1 UNL1111111111 -0.5536 10 N -2.8357 0.7918 -0.0294 N.ar 1 UNL1111111111 -0.5577 11 N 1.3052 1.1090 1.2239 N.3 1 UNL1111111111 -0.6452 12 S -3.1178 -0.8855 0.3555 S.2 1 UNL1111111111 0.5582 13 H 0.9192 -1.3544 -1.1905 H 1 UNL1111111111 0.2001 14 H 0.8781 0.3976 -1.4983 H 1 UNL1111111111 0.1777 15 HA 1.3855 -0.9877 1.2615 H 1 UNL1111111111 0.1956 16 H -1.6448 2.8269 -0.7120 H 1 UNL1111111111 0.3605 17 HXT 4.2209 -1.5119 -0.8286 H 1 UNL1111111111 0.3594 18 H1 2.1490 1.6461 1.3825 H 1 UNL1111111111 0.2799 19 H2 0.6310 1.6787 0.7390 H 1 UNL1111111111 0.2675 @BOND 1 1 2 ar 2 1 6 1 3 1 10 ar 4 2 3 ar 5 2 4 1 6 3 12 ar 7 4 5 1 8 4 13 1 9 4 14 1 10 5 8 1 11 5 11 1 12 5 15 1 13 6 16 1 14 7 8 2 15 8 9 1 16 9 17 1 17 10 12 ar 18 11 18 1 19 11 19 1