@MOLECULE d-(+)-phenylalanine 23 23 0 0 0 SMALL GASTEIGER @ATOM 1 C -2.7655 -0.2418 -0.0046 C.2 1 PHE1111111111 0.6090 2 CA -1.3021 0.0336 0.3707 C.3 1 PHE1111111111 -0.0594 3 N -1.1745 1.4698 0.6847 N.3 1 PHE1111111111 -0.6476 4 CB -0.3923 -0.4469 -0.7754 C.3 1 PHE1111111111 -0.3304 5 HB1 -0.6128 -1.5160 -1.0031 H 1 PHE1111111111 0.1879 6 HB2 -0.6417 0.0829 -1.7175 H 1 PHE1111111111 0.1647 7 CG 1.0461 -0.2686 -0.4052 C.ar 1 PHE1111111111 0.0057 8 CD1 1.7854 0.7853 -0.9455 C.ar 1 PHE1111111111 -0.1861 9 HD1 1.3292 1.4646 -1.6620 H 1 PHE1111111111 0.1512 10 CE1 3.1177 0.9632 -0.5775 C.ar 1 PHE1111111111 -0.1349 11 HE1 3.6932 1.7846 -1.0017 H 1 PHE1111111111 0.1526 12 CZ 3.7155 0.0892 0.3283 C.ar 1 PHE1111111111 -0.1586 13 HZ 4.7558 0.2295 0.6157 H 1 PHE1111111111 0.1549 14 CE2 2.9807 -0.9694 0.8605 C.ar 1 PHE1111111111 -0.1329 15 HE2 3.4500 -1.6582 1.5615 H 1 PHE1111111111 0.1527 16 CD2 1.6496 -1.1506 0.4944 C.ar 1 PHE1111111111 -0.1771 17 HD2 1.0819 -1.9836 0.9051 H 1 PHE1111111111 0.1568 18 O -3.1269 -1.1894 -0.6473 O.2 1 PHE1111111111 -0.4581 19 OXT -3.6860 0.6245 0.4674 O.3 1 PHE1111111111 -0.5201 20 HA -1.0825 -0.5619 1.2996 H 1 PHE1111111111 0.1716 21 H1 -1.0034 2.0232 -0.1438 H 1 PHE1111111111 0.2609 22 H2 -0.4247 1.6444 1.3386 H 1 PHE1111111111 0.2666 23 HXT -3.2785 1.4037 0.9449 H 1 PHE1111111111 0.3703 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 4 5 1 5 4 6 1 6 4 7 1 7 7 8 ar 8 7 16 ar 9 8 9 1 10 8 10 ar 11 10 11 1 12 10 12 ar 13 12 13 1 14 12 14 ar 15 14 15 1 16 14 16 ar 17 16 17 1 18 1 18 2 19 1 19 1 20 2 20 1 21 3 21 1 22 3 22 1 23 19 23 1