@MOLECULE 3-hydroxyhistidine 21 21 0 0 0 SMALL GASTEIGER @ATOM 1 C -2.6059 -0.2179 -0.0889 C.2 1 UNL1111111111 0.5728 2 O -2.4685 -1.5643 -0.0708 O.3 1 UNL1111111111 -0.5574 3 CA -1.2600 0.4684 -0.3156 C.3 1 UNL1111111111 0.0106 4 N -1.4144 1.9212 -0.3959 N.3 1 UNL1111111111 -0.6217 5 C -0.3021 0.0964 0.8430 C.3 1 UNL1111111111 -0.2571 6 C 1.0980 0.2692 0.4169 C.ar 1 UNL1111111111 -0.0070 7 C 1.8973 1.4078 0.2804 C.ar 1 UNL1111111111 -0.0551 8 N 3.1595 1.0503 -0.1770 N.ar 1 UNL1111111111 -0.3695 9 C 3.1790 -0.2804 -0.3446 C.ar 1 UNL1111111111 0.0760 10 N 1.9508 -0.7851 0.0786 N.ar 1 UNL1111111111 -0.1565 11 O 1.5164 -2.0526 -0.2196 O.3 1 UNL1111111111 -0.2241 12 OXT -3.6774 0.3083 0.0483 O.2 1 UNL1111111111 -0.5048 13 H -3.3209 -2.0533 0.0495 H 1 UNL1111111111 0.3586 14 HA -0.8274 0.0951 -1.2880 H 1 UNL1111111111 0.1881 15 H1 -1.9038 2.2133 -1.2285 H 1 UNL1111111111 0.2668 16 H2 -1.8764 2.3110 0.4125 H 1 UNL1111111111 0.2653 17 H -0.5121 0.7338 1.7321 H 1 UNL1111111111 0.1722 18 H -0.4942 -0.9506 1.1693 H 1 UNL1111111111 0.1704 19 H 1.6453 2.4352 0.4674 H 1 UNL1111111111 0.1930 20 H 3.9963 -0.8812 -0.6978 H 1 UNL1111111111 0.1948 21 H 1.5108 -2.5457 0.6645 H 1 UNL1111111111 0.2847 @BOND 1 1 2 1 2 2 13 1 3 3 4 1 4 3 1 1 5 3 14 1 6 4 15 1 7 4 16 1 8 5 3 1 9 5 17 1 10 5 18 1 11 6 5 1 12 7 6 ar 13 7 19 1 14 8 9 ar 15 8 7 ar 16 9 10 ar 17 9 20 1 18 10 11 1 19 10 6 ar 20 11 21 1 21 12 1 2