@MOLECULE (3s)-3-{[(5-bromo-3-pyridinyl)carbonyl]amino}-4-oxobutanoic acid 26 26 0 0 0 SMALL GASTEIGER @ATOM 1 C -1.5183 -0.1754 -0.3808 C.ar 0 UNK0 -0.0316 2 C -2.6793 0.3232 0.1970 C.ar 0 UNK0 -0.1394 3 C -2.6020 1.3171 1.1817 C.ar 0 UNK0 0.0775 4 N -1.4212 1.8215 1.5828 N.ar 0 UNK0 -0.3541 5 C -0.2888 1.3486 1.0326 C.ar 0 UNK0 0.0804 6 C -0.2971 0.3383 0.0600 C.ar 0 UNK0 -0.2217 7 BR -4.3623 -0.3294 -0.3423 Br 0 UNK0 -0.0037 8 C 0.9507 -0.1799 -0.5521 C.2 0 UNK0 0.5881 9 O 1.0914 -0.3450 -1.7450 O.2 0 UNK0 -0.4911 10 N 1.9667 -0.4798 0.3396 N.am 1 ASP1 -0.5967 11 CA 3.2265 -1.0325 -0.1406 C.3 1 ASP1 -0.0010 12 CB 4.4205 -0.2041 0.3748 C.3 1 ASP1 -0.3765 13 C 3.3849 -2.4604 0.4113 C.2 1 ASP1 0.3063 14 O 3.0533 -2.7194 1.5373 O.2 1 ASP1 -0.4032 15 CG 4.5532 1.0463 -0.4406 C.2 1 ASP1 0.6477 16 OD1 4.2302 2.1339 0.3043 O.3 1 ASP1 -0.5552 17 OD2 4.9033 1.1513 -1.5841 O.2 1 ASP1 -0.4876 18 H -1.5389 -0.9420 -1.1634 H 0 UNK0 0.1914 19 H -3.4901 1.7382 1.6737 H 0 UNK0 0.1890 20 H 0.6431 1.8121 1.3861 H 0 UNK0 0.1864 21 H 1.8339 -0.4437 1.3406 H 1 ASP1 0.3285 22 HA 3.2260 -1.0491 -1.2718 H 1 ASP1 0.2049 23 HB1 5.3655 -0.7851 0.3010 H 1 ASP1 0.1828 24 HB2 4.2961 0.0334 1.4562 H 1 ASP1 0.1967 25 H 3.8112 -3.2094 -0.2618 H 1 ASP1 0.1241 26 HD1 4.2833 2.9860 -0.1975 H 1 ASP1 0.3581 @BOND 1 1 2 ar 2 1 6 ar 3 1 18 1 4 2 3 ar 5 2 7 1 6 3 4 ar 7 3 19 1 8 4 5 ar 9 5 6 ar 10 5 20 1 11 6 8 1 12 8 9 2 13 8 10 am 14 10 11 1 15 10 21 1 16 11 12 1 17 11 13 1 18 11 22 1 19 12 15 1 20 12 23 1 21 12 24 1 22 13 14 2 23 13 25 1 24 15 16 1 25 15 17 2 26 16 26 1