@MOLECULE (2s,4s)-2-amino-4-hydroxypentanedioic acid 20 19 0 0 0 SMALL USER_CHARGES @ATOM 1 O -1.2674 -0.6950 1.6271 O.3 1 UNL1111111 -0.5203 2 OXT 2.3865 -1.5792 -0.4549 O.3 1 UNL1111111 -0.5569 3 O -2.7839 1.1224 -0.9771 O.3 1 UNL1111111 -0.5509 4 O 3.4859 0.3610 -0.5402 O.2 1 UNL1111111 -0.5088 5 O -3.1470 -1.0035 -0.3917 O.2 1 UNL1111111 -0.5008 6 N 1.3515 1.7502 0.6530 N.3 1 UNL1111111 -0.6248 7 C 0.0041 -0.0616 -0.3310 C.3 1 UNL1111111 -0.3257 8 CA 1.2627 0.2975 0.4782 C.3 1 UNL1111111 0.0103 9 C -1.2306 0.1897 0.5431 C.3 1 UNL1111111 0.1026 10 C 2.5011 -0.2512 -0.2244 C.2 1 UNL1111111 0.5718 11 C -2.4844 -0.0058 -0.2940 C.2 1 UNL1111111 0.5774 12 H 0.0449 -1.1253 -0.6482 H 1 UNL1111111 0.1765 13 H -0.0536 0.5402 -1.2603 H 1 UNL1111111 0.1691 14 HA 1.1923 -0.1824 1.5008 H 1 UNL1111111 0.1973 15 H -1.2006 1.2002 1.0320 H 1 UNL1111111 0.2053 16 H1 1.4467 2.2431 -0.2225 H 1 UNL1111111 0.2628 17 H2 2.1094 2.0192 1.2628 H 1 UNL1111111 0.2660 18 H -1.4843 -1.6131 1.3391 H 1 UNL1111111 0.3314 19 HXT 3.1764 -1.9810 -0.8965 H 1 UNL1111111 0.3600 20 H -3.5988 1.0498 -1.5350 H 1 UNL1111111 0.3577 @BOND 1 20 3 1 2 13 7 1 3 3 11 1 4 19 2 1 5 12 7 1 6 4 10 2 7 2 10 1 8 5 11 2 9 7 8 1 10 7 9 1 11 11 9 1 12 10 8 1 13 16 6 1 14 8 6 1 15 8 14 1 16 9 15 1 17 9 1 1 18 6 17 1 19 18 1 1