@MOLECULE 2-amino-3-(3-carboxy-5-methyl-4-isoxazolyl)propionic acid 25 25 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.3143 -2.3373 1.0408 O.3 1 UNL111111111 -0.5377 2 C 1.4796 -1.8394 -0.2103 C.2 1 UNL111111111 0.6494 3 O 1.4184 -2.5295 -1.1884 O.2 1 UNL111111111 -0.4394 4 C 1.6773 -0.3833 -0.1222 C.ar 1 UNL111111111 -0.0351 5 N 2.8167 0.1843 0.2585 N.ar 1 UNL111111111 -0.1670 6 O 2.6504 1.5405 0.2388 O.2 1 UNL111111111 0.0493 7 C 1.3506 1.8184 -0.1603 C.ar 1 UNL111111111 0.0902 8 C 0.6872 0.6369 -0.4077 C.ar 1 UNL111111111 -0.1432 9 C -0.6931 0.4487 -0.8808 C.3 1 UNL111111111 -0.3104 10 CA -1.5544 -0.4204 0.0796 C.3 1 UNL111111111 -0.0027 11 N -1.1880 -0.3924 1.4992 N.3 1 UNL111111111 -0.6250 12 C -2.9814 0.1095 0.0119 C.2 1 UNL111111111 0.6325 13 O -3.3912 1.1806 0.3672 O.2 1 UNL111111111 -0.5052 14 OXT -3.7903 -0.8017 -0.5779 O.3 1 UNL111111111 -0.5501 15 C 1.0072 3.2369 -0.2112 C.3 1 UNL111111111 -0.4517 16 H 1.1831 -3.3216 1.0642 H 1 UNL111111111 0.3630 17 H -1.1785 1.4407 -1.0340 H 1 UNL111111111 0.1730 18 H -0.6919 -0.0245 -1.8910 H 1 UNL111111111 0.1793 19 HA -1.5269 -1.4942 -0.2611 H 1 UNL111111111 0.1838 20 H1 -0.3030 -0.8518 1.6598 H 1 UNL111111111 0.2750 21 H2 -1.1555 0.5442 1.8736 H 1 UNL111111111 0.2647 22 HXT -4.7394 -0.5249 -0.6221 H 1 UNL111111111 0.3546 23 H 0.0318 3.4132 -0.6980 H 1 UNL111111111 0.1841 24 H 0.9416 3.6812 0.7999 H 1 UNL111111111 0.1850 25 H 1.7561 3.8303 -0.7667 H 1 UNL111111111 0.1837 @BOND 1 1 2 1 2 1 16 1 3 2 3 2 4 2 4 1 5 4 5 ar 6 4 8 ar 7 5 6 ar 8 6 7 ar 9 7 8 ar 10 7 15 1 11 8 9 1 12 9 10 1 13 9 17 1 14 9 18 1 15 10 11 1 16 10 12 1 17 10 19 1 18 11 20 1 19 11 21 1 20 12 13 2 21 12 14 1 22 14 22 1 23 15 23 1 24 15 24 1 25 15 25 1