@MOLECULE n-(dichloroacetyl)phenylalanine 28 28 0 0 0 SMALL GASTEIGER @ATOM 1 CL -2.5119 2.4435 -0.3394 Cl 0 UNK0 -0.0320 2 CL -1.9004 0.1315 1.2358 Cl 0 UNK0 -0.0780 3 O 4.3056 0.6547 -0.7241 O.3 1 PHE1 -0.5482 4 OXT 3.6471 0.7034 1.4122 O.2 1 PHE1 -0.4907 5 O -0.0819 1.4503 -1.4670 O.2 0 UNK0 -0.4492 6 N 1.0050 0.8043 0.4179 N.am 1 PHE1 -0.5824 7 CA 2.0438 0.1179 -0.3492 C.3 1 PHE1 0.0304 8 CB 1.9269 -1.4237 -0.2465 C.3 1 PHE1 -0.3208 9 CG 0.4952 -1.8659 -0.3021 C.ar 1 PHE1 -0.0009 10 C 3.3811 0.5293 0.2548 C.2 1 PHE1 0.6099 11 CD1 -0.0655 -2.5397 0.7846 C.ar 1 PHE1 -0.1724 12 CD2 -0.2861 -1.5895 -1.4265 C.ar 1 PHE1 -0.1635 13 C -0.0899 1.3063 -0.2677 C.2 0 UNK0 0.5469 14 CE1 -1.4047 -2.9241 0.7496 C.ar 1 PHE1 -0.1405 15 CE2 -1.6260 -1.9675 -1.4537 C.ar 1 PHE1 -0.1321 16 CZ -2.1879 -2.6340 -0.3658 C.ar 1 PHE1 -0.1510 17 C -1.2738 1.6628 0.6161 C.3 0 UNK0 -0.1314 18 HA 1.9904 0.4372 -1.4335 H 1 PHE1 0.2107 19 HB1 2.4115 -1.7866 0.6846 H 1 PHE1 0.1643 20 HB2 2.5027 -1.8904 -1.0755 H 1 PHE1 0.1744 21 H 0.9710 0.5911 1.4084 H 1 PHE1 0.3289 22 HD1 0.5362 -2.7647 1.6623 H 1 PHE1 0.1517 23 HD2 0.1436 -1.0602 -2.2773 H 1 PHE1 0.1653 24 HE1 -1.8407 -3.4474 1.5988 H 1 PHE1 0.1510 25 HE2 -2.2369 -1.7341 -2.3248 H 1 PHE1 0.1549 26 HZ -3.2368 -2.9231 -0.3865 H 1 PHE1 0.1538 27 H -1.0281 2.3191 1.4753 H 0 UNK0 0.1919 28 H 5.2023 0.9216 -0.3989 H 1 PHE1 0.3589 @BOND 1 1 17 1 2 2 17 1 3 3 10 1 4 3 28 1 5 4 10 2 6 5 13 2 7 6 7 1 8 6 13 am 9 6 21 1 10 7 8 1 11 7 10 1 12 7 18 1 13 8 9 1 14 8 19 1 15 8 20 1 16 9 11 ar 17 9 12 ar 18 11 14 ar 19 11 22 1 20 12 15 ar 21 12 23 1 22 13 17 1 23 14 16 ar 24 14 24 1 25 15 16 ar 26 15 25 1 27 16 26 1 28 17 27 1