@MOLECULE 5-fluorohistidine 20 20 0 0 0 SMALL GASTEIGER @ATOM 1 F -1.1391 -1.6893 1.0059 F 1 UNL111111111 -0.1037 2 O 1.0184 -0.9514 -1.5198 O.3 1 UNL111111111 -0.5474 3 OXT 2.4450 -1.3771 0.1495 O.2 1 UNL111111111 -0.4944 4 N -1.6834 1.4974 -0.3182 N.ar 1 UNL111111111 -0.3484 5 N 2.8145 1.4931 0.3594 N.3 1 UNL111111111 -0.6283 6 N -2.7353 -0.4942 -0.2194 N.ar 1 UNL111111111 -0.3810 7 C 0.4758 1.0404 0.9279 C.3 1 UNL111111111 -0.2663 8 CA 1.5779 0.8930 -0.1500 C.3 1 UNL111111111 0.0024 9 C -0.8368 0.6423 0.3998 C.ar 1 UNL111111111 -0.0625 10 C -1.5228 -0.5760 0.4398 C.ar 1 UNL111111111 0.2129 11 C 1.7528 -0.5953 -0.4440 C.2 1 UNL111111111 0.5760 12 C -2.8175 0.7689 -0.6772 C.ar 1 UNL111111111 0.0943 13 H 0.7368 0.4360 1.8286 H 1 UNL111111111 0.1836 14 H 0.4758 2.0935 1.2945 H 1 UNL111111111 0.1820 15 HA 1.2718 1.4324 -1.0866 H 1 UNL111111111 0.1746 16 H -1.4788 2.4458 -0.5370 H 1 UNL111111111 0.3186 17 H1 3.5331 1.5545 -0.3449 H 1 UNL111111111 0.2620 18 H2 3.1803 0.9994 1.1629 H 1 UNL111111111 0.2705 19 H -3.6387 1.1771 -1.2420 H 1 UNL111111111 0.1932 20 H 1.0386 -1.9227 -1.7207 H 1 UNL111111111 0.3620 @BOND 1 1 10 1 2 2 11 1 3 2 20 1 4 3 11 2 5 4 9 ar 6 4 12 ar 7 4 16 1 8 5 8 1 9 5 17 1 10 5 18 1 11 6 10 ar 12 6 12 ar 13 7 8 1 14 7 9 1 15 7 13 1 16 7 14 1 17 8 11 1 18 8 15 1 19 9 10 ar 20 12 19 1