@MOLECULE (2r,3s)-3-amino-1,2,4-butanetriol 19 18 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.5178 1.1417 1.0161 O.3 1 UNL1111111111 -0.5850 2 O 1.7519 1.5422 -0.3714 O.3 1 UNL1111111111 -0.5500 3 O -2.6880 0.1008 -0.4276 O.3 1 UNL1111111111 -0.5451 4 N 0.9801 -2.0705 0.2178 N.3 1 UNL1111111111 -0.6560 5 CA 0.9491 -0.6122 0.4209 C.3 1 UNL1111111111 -0.0348 6 C -0.5408 -0.2081 0.5728 C.3 1 UNL1111111111 0.1022 7 C 1.6660 0.1766 -0.6994 C.3 1 UNL1111111111 -0.0452 8 C -1.3651 -0.3052 -0.7182 C.3 1 UNL1111111111 -0.0669 9 HA 1.4545 -0.3642 1.3964 H 1 UNL1111111111 0.1717 10 H -1.0100 -0.8061 1.3897 H 1 UNL1111111111 0.1429 11 H1 1.1572 0.0876 -1.6747 H 1 UNL1111111111 0.1155 12 H2 2.7197 -0.1374 -0.8118 H 1 UNL1111111111 0.1367 13 H -1.3562 -1.3179 -1.1504 H 1 UNL1111111111 0.1315 14 H -1.0480 0.4344 -1.4808 H 1 UNL1111111111 0.1595 15 H1 1.8195 -2.4916 0.5790 H 1 UNL1111111111 0.2612 16 H2 0.8660 -2.3340 -0.7459 H 1 UNL1111111111 0.2517 17 H -1.3873 1.5672 0.8338 H 1 UNL1111111111 0.3471 18 H 0.9402 1.8091 0.1276 H 1 UNL1111111111 0.3466 19 H -3.1486 -0.5704 0.1158 H 1 UNL1111111111 0.3165 @BOND 1 1 6 1 2 1 17 1 3 2 7 1 4 2 18 1 5 3 8 1 6 3 19 1 7 4 5 1 8 4 15 1 9 4 16 1 10 5 6 1 11 5 7 1 12 5 9 1 13 6 8 1 14 6 10 1 15 7 11 1 16 7 12 1 17 8 13 1 18 8 14 1