@MOLECULE 4-(aminomethyl)-d-phenylalanine 28 28 0 0 0 SMALL GASTEIGER @ATOM 1 C 3.6013 0.1154 0.0073 C.2 1 UNL1111111111 0.2129 2 OXT 4.3063 -0.7426 -0.4499 O.2 1 UNL1111111111 -0.3184 3 CA 2.1424 0.0091 0.4215 C.3 1 UNL1111111111 0.4384 4 C 1.2812 0.1525 -0.8592 C.3 1 UNL1111111111 -1.0166 5 C -0.1698 0.0824 -0.4988 C.ar 1 UNL1111111111 0.4462 6 C -0.8222 1.2325 -0.0471 C.ar 1 UNL1111111111 -0.4343 7 C -2.1577 1.1710 0.3341 C.ar 1 UNL1111111111 -0.1205 8 C -2.8536 -0.0381 0.2675 C.ar 1 UNL1111111111 -0.0907 9 C -4.3003 -0.0682 0.6818 C.3 1 UNL1111111111 -0.1001 10 N -5.2009 0.2948 -0.4400 N.3 1 UNL1111111111 -0.9495 11 C -2.2086 -1.1831 -0.1981 C.ar 1 UNL1111111111 -0.1818 12 C -0.8702 -1.1224 -0.5835 C.ar 1 UNL1111111111 -0.3632 13 N 1.9963 -1.2688 1.1318 N.3 1 UNL1111111111 -1.0194 14 HA 1.8819 0.8308 1.1475 H 1 UNL1111111111 0.1727 15 H 1.5133 1.1195 -1.3558 H 1 UNL1111111111 0.3273 16 H 1.5552 -0.6243 -1.6019 H 1 UNL1111111111 0.3147 17 H -0.2850 2.1781 0.0098 H 1 UNL1111111111 0.2438 18 H -2.6668 2.0693 0.6845 H 1 UNL1111111111 0.2121 19 H -4.5754 -1.0535 1.1142 H 1 UNL1111111111 0.1539 20 H -4.4916 0.6833 1.4895 H 1 UNL1111111111 0.1697 21 H -4.6891 0.5741 -1.2615 H 1 UNL1111111111 0.3967 22 H -5.8143 -0.4644 -0.6847 H 1 UNL1111111111 0.3794 23 H -2.7472 -2.1269 -0.2624 H 1 UNL1111111111 0.2072 24 H -0.3754 -2.0177 -0.9556 H 1 UNL1111111111 0.2185 25 H1 1.0306 -1.4645 1.3530 H 1 UNL1111111111 0.3832 26 O 4.0454 1.3840 0.1855 O.3 1 UNL1111111111 -0.4592 27 H 4.9971 1.5114 -0.0525 H 1 UNL1111111111 0.3576 28 H2 2.3884 -2.0447 0.6135 H 1 UNL1111111111 0.4194 @BOND 1 1 3 1 2 1 26 1 3 2 1 2 4 3 13 1 5 3 14 1 6 4 3 1 7 4 5 1 8 4 15 1 9 4 16 1 10 5 6 ar 11 6 7 ar 12 6 17 1 13 7 18 1 14 8 7 ar 15 8 9 1 16 9 10 1 17 9 19 1 18 9 20 1 19 10 21 1 20 10 22 1 21 11 8 ar 22 11 23 1 23 12 11 ar 24 12 5 ar 25 12 24 1 26 13 25 1 27 13 28 1 28 26 27 1