@MOLECULE 3-carboxy-alpha-methyl-l-phenylalanine 29 29 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.2163 -0.8839 1.6074 O.3 1 UNL11111111111 -0.5379 2 O 2.0105 -2.2775 0.0591 O.2 1 UNL11111111111 -0.5173 3 O -2.7057 -1.9447 -0.6187 O.3 1 UNL11111111111 -0.5544 4 O -4.2092 -0.6500 0.3883 O.2 1 UNL11111111111 -0.5026 5 N 3.7968 -0.2497 -0.8171 N.3 1 UNL11111111111 -0.6556 6 C 2.5427 0.1059 -0.1332 C.3 1 UNL11111111111 0.1986 7 C 1.5660 0.6309 -1.2198 C.3 1 UNL11111111111 -0.3071 8 C 0.2088 0.9408 -0.6777 C.ar 1 UNL11111111111 -0.0218 9 C 2.8202 1.1452 0.9515 C.3 1 UNL11111111111 -0.4643 10 C 1.9147 -1.1562 0.4844 C.2 1 UNL11111111111 0.5656 11 C -0.7770 -0.0488 -0.6468 C.ar 1 UNL11111111111 -0.0915 12 C -0.0836 2.2218 -0.2033 C.ar 1 UNL11111111111 -0.1172 13 C -2.0359 0.2482 -0.1257 C.ar 1 UNL11111111111 -0.1374 14 C -1.3433 2.5122 0.3172 C.ar 1 UNL11111111111 -0.1704 15 C -2.3238 1.5259 0.3617 C.ar 1 UNL11111111111 -0.0844 16 C -3.1002 -0.7652 -0.0682 C.2 1 UNL11111111111 0.6402 17 H 2.0279 1.5286 -1.6891 H 1 UNL11111111111 0.1775 18 H 1.5019 -0.1070 -2.0488 H 1 UNL11111111111 0.1697 19 H 3.4646 0.7522 1.7469 H 1 UNL11111111111 0.1569 20 H 1.8879 1.4733 1.4354 H 1 UNL11111111111 0.1758 21 H 3.3128 2.0315 0.5306 H 1 UNL11111111111 0.1650 22 H 3.7063 -1.0772 -1.3902 H 1 UNL11111111111 0.2743 23 H 4.5726 -0.3603 -0.1862 H 1 UNL11111111111 0.2632 24 H -0.5640 -1.0533 -1.0259 H 1 UNL11111111111 0.1809 25 H 0.6797 2.9989 -0.2380 H 1 UNL11111111111 0.1531 26 H -1.5605 3.5121 0.6894 H 1 UNL11111111111 0.1558 27 H -3.3134 1.7421 0.7718 H 1 UNL11111111111 0.1728 28 H 0.7610 -1.6743 1.9940 H 1 UNL11111111111 0.3550 29 H -3.4108 -2.6397 -0.5943 H 1 UNL11111111111 0.3576 @BOND 1 1 10 1 2 1 28 1 3 2 10 2 4 3 16 1 5 3 29 1 6 4 16 2 7 5 6 1 8 5 22 1 9 5 23 1 10 6 7 1 11 6 9 1 12 6 10 1 13 7 8 1 14 7 17 1 15 7 18 1 16 8 11 ar 17 8 12 ar 18 9 19 1 19 9 20 1 20 9 21 1 21 11 13 ar 22 11 24 1 23 12 14 ar 24 12 25 1 25 13 15 ar 26 13 16 1 27 14 15 ar 28 14 26 1 29 15 27 1