@MOLECULE 3,5-difluorotyrosine 24 24 0 0 0 SMALL USER_CHARGES @ATOM 1 F 2.0830 -2.4121 0.4117 F 1 UNL11111111 -0.1544 2 F 2.8449 2.1011 -0.5430 F 1 UNL11111111 -0.1321 3 O -2.1163 -1.2062 -1.3667 O.3 1 UNL11111111 -0.5433 4 O 3.7967 -0.3362 -0.4750 O.3 1 UNL11111111 -0.4116 5 OXT -3.8592 -1.1649 0.0273 O.2 1 UNL11111111 -0.5144 6 N -3.5762 1.6971 0.1178 N.3 1 UNL11111111 -0.6324 7 C -1.5194 0.7685 1.0896 C.3 1 UNL11111111 -0.2931 8 CA -2.4367 0.8152 -0.1552 C.3 1 UNL11111111 0.0134 9 C -0.1170 0.4358 0.6916 C.ar 1 UNL11111111 0.0161 10 C 0.7286 1.4607 0.2499 C.ar 1 UNL11111111 -0.2069 11 C 0.3383 -0.8813 0.7522 C.ar 1 UNL11111111 -0.1882 12 C -2.9071 -0.6071 -0.4505 C.2 1 UNL11111111 0.5729 13 C 1.6453 -1.1646 0.3631 C.ar 1 UNL11111111 0.0819 14 C 2.0277 1.1514 -0.1274 C.ar 1 UNL11111111 0.1347 15 C 2.5163 -0.1658 -0.0814 C.ar 1 UNL11111111 0.1360 16 H -1.9138 0.0590 1.8451 H 1 UNL11111111 0.1640 17 H -1.5580 1.7631 1.5948 H 1 UNL11111111 0.1866 18 HA -1.8674 1.2239 -1.0359 H 1 UNL11111111 0.1855 19 H 0.3669 2.4891 0.2011 H 1 UNL11111111 0.1843 20 H -0.3204 -1.6816 1.0915 H 1 UNL11111111 0.1812 21 H1 -4.1665 1.3506 0.8610 H 1 UNL11111111 0.2681 22 H2 -4.1398 1.8698 -0.6995 H 1 UNL11111111 0.2617 23 H -2.3802 -2.1371 -1.5825 H 1 UNL11111111 0.3570 24 H 4.0877 -1.2838 -0.4264 H 1 UNL11111111 0.3329 @BOND 1 23 3 1 2 3 12 1 3 18 8 1 4 22 6 1 5 2 14 1 6 4 24 1 7 4 15 1 8 12 8 1 9 12 5 2 10 8 6 1 11 8 7 1 12 14 15 ar 13 14 10 ar 14 15 13 ar 15 6 21 1 16 19 10 1 17 10 9 ar 18 13 1 1 19 13 11 ar 20 9 11 ar 21 9 7 1 22 11 20 1 23 7 17 1 24 7 16 1