@MOLECULE (2s)-amino(4-hydroxyphenyl)acetic acid 21 21 0 0 0 SMALL USER_CHARGES @ATOM 1 OXT -2.1086 1.1544 1.3320 O.3 1 UNL11111111 -0.5395 2 O 3.9344 0.5676 -0.1974 O.3 1 UNL11111111 -0.4704 3 O -3.2164 0.7759 -0.5689 O.2 1 UNL11111111 -0.5168 4 N -1.8727 -1.6758 -0.9805 N.3 1 UNL11111111 -0.6186 5 CA -1.5015 -0.8172 0.1539 C.3 1 UNL11111111 0.0018 6 C -0.0451 -0.4456 0.0783 C.ar 1 UNL11111111 -0.0990 7 C 0.8722 -1.1077 0.8949 C.ar 1 UNL11111111 -0.0497 8 C 0.3910 0.5372 -0.8188 C.ar 1 UNL11111111 -0.0884 9 C 2.2273 -0.7925 0.8319 C.ar 1 UNL11111111 -0.3115 10 C 1.7353 0.8694 -0.8992 C.ar 1 UNL11111111 -0.2402 11 C 2.6364 0.1941 -0.0660 C.ar 1 UNL11111111 0.3012 12 C -2.3698 0.4395 0.2165 C.2 1 UNL11111111 0.5797 13 HA -1.7090 -1.4105 1.0954 H 1 UNL11111111 0.1837 14 H 0.5321 -1.8815 1.5847 H 1 UNL11111111 0.1564 15 H -0.3283 1.0509 -1.4589 H 1 UNL11111111 0.1579 16 H 2.9426 -1.3041 1.4656 H 1 UNL11111111 0.1611 17 H 2.0984 1.6318 -1.5844 H 1 UNL11111111 0.1799 18 H1 -1.4644 -1.3631 -1.8486 H 1 UNL11111111 0.2617 19 H2 -2.8746 -1.7454 -1.0962 H 1 UNL11111111 0.2665 20 HXT -2.6553 1.9764 1.4181 H 1 UNL11111111 0.3556 21 H 4.5346 0.0641 0.4037 H 1 UNL11111111 0.3285 @BOND 1 18 4 1 2 17 10 1 3 15 8 1 4 19 4 1 5 4 5 1 6 10 8 ar 7 10 11 ar 8 8 6 ar 9 3 12 2 10 2 11 1 11 2 21 1 12 11 9 ar 13 6 5 1 14 6 7 ar 15 5 12 1 16 5 13 1 17 12 1 1 18 9 7 ar 19 9 16 1 20 7 14 1 21 1 20 1