@MOLECULE aminomalonic acid 13 12 0 0 0 SMALL USER_CHARGES @ATOM 1 OXT -2.0391 0.6464 0.7113 O.3 1 UNL11111111 -0.5306 2 O 1.0966 1.6003 0.1559 O.3 1 UNL11111111 -0.5400 3 O -1.4596 -0.0962 -1.3212 O.2 1 UNL11111111 -0.4748 4 O 2.2574 -0.2391 -0.3757 O.2 1 UNL11111111 -0.4793 5 N 0.1044 -1.9153 0.3878 N.3 1 UNL11111111 -0.5970 6 CA 0.0282 -0.4674 0.5828 C.3 1 UNL11111111 -0.0887 7 C -1.2099 0.0265 -0.1548 C.2 1 UNL11111111 0.6406 8 C 1.2559 0.2648 0.0521 C.2 1 UNL11111111 0.5837 9 HA -0.0741 -0.2528 1.6906 H 1 UNL11111111 0.2148 10 H1 0.8998 -2.3205 0.8619 H 1 UNL11111111 0.2721 11 H2 0.1368 -2.1709 -0.5927 H 1 UNL11111111 0.2754 12 HXT -2.8691 0.9903 0.2892 H 1 UNL11111111 0.3593 13 H 1.8668 2.1261 -0.1861 H 1 UNL11111111 0.3645 @BOND 1 3 7 2 2 11 5 1 3 4 8 2 4 13 2 1 5 7 6 1 6 7 1 1 7 8 2 1 8 8 6 1 9 12 1 1 10 5 6 1 11 5 10 1 12 6 9 1