@MOLECULE 3-fluorophenylalanine 23 23 0 0 0 SMALL GASTEIGER @ATOM 1 F -3.0796 1.6793 0.4350 F 1 UNL1111111111 -0.1742 2 O 1.3193 1.2931 -1.2723 O.3 1 UNL1111111111 -0.5425 3 OXT 2.9715 1.5457 0.2082 O.2 1 UNL1111111111 -0.5118 4 N 3.2765 -1.3086 0.2309 N.3 1 UNL1111111111 -0.6298 5 C 0.9838 -0.8888 1.0039 C.3 1 UNL1111111111 -0.3043 6 CA 2.0055 -0.6757 -0.1372 C.3 1 UNL1111111111 0.0104 7 C -0.4132 -0.7284 0.4918 C.ar 1 UNL1111111111 0.0544 8 C -1.1180 0.4500 0.7364 C.ar 1 UNL1111111111 -0.2409 9 C -1.0048 -1.7618 -0.2422 C.ar 1 UNL1111111111 -0.2074 10 C 2.1798 0.8271 -0.3428 C.2 1 UNL1111111111 0.5748 11 C -2.4070 0.5589 0.2171 C.ar 1 UNL1111111111 0.2169 12 C -2.2968 -1.6227 -0.7427 C.ar 1 UNL1111111111 -0.0918 13 C -3.0203 -0.4519 -0.5197 C.ar 1 UNL1111111111 -0.2349 14 H 1.1948 -0.2030 1.8507 H 1 UNL1111111111 0.1649 15 H 1.1302 -1.9113 1.4237 H 1 UNL1111111111 0.1857 16 HA 1.6263 -1.1514 -1.0838 H 1 UNL1111111111 0.1823 17 H -0.6729 1.2621 1.3073 H 1 UNL1111111111 0.1770 18 H -0.4502 -2.6804 -0.4253 H 1 UNL1111111111 0.1607 19 H1 3.6971 -0.8853 1.0467 H 1 UNL1111111111 0.2680 20 H2 3.9443 -1.3040 -0.5239 H 1 UNL1111111111 0.2607 21 H -2.7468 -2.4334 -1.3149 H 1 UNL1111111111 0.1520 22 H -4.0279 -0.3350 -0.9112 H 1 UNL1111111111 0.1723 23 H 1.3757 2.2716 -1.4214 H 1 UNL1111111111 0.3575 @BOND 1 1 11 1 2 2 10 1 3 2 23 1 4 3 10 2 5 4 6 1 6 4 19 1 7 4 20 1 8 5 6 1 9 5 7 1 10 5 14 1 11 5 15 1 12 6 10 1 13 6 16 1 14 7 8 ar 15 7 9 ar 16 8 11 ar 17 8 17 1 18 9 12 ar 19 9 18 1 20 11 13 ar 21 12 13 ar 22 12 21 1 23 13 22 1