@MOLECULE (betar)-beta-methyl-l-phenylalanine 26 26 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.9064 -1.8325 1.0553 O.3 1 UNL1111111111 -0.5517 2 OXT 1.8135 -1.7430 -0.9826 O.2 1 UNL1111111111 -0.5090 3 N 3.0879 0.7013 0.0210 N.3 1 UNL1111111111 -0.6289 4 C 0.6894 1.1426 -0.3920 C.3 1 UNL1111111111 -0.1035 5 CA 1.7290 0.2888 0.3893 C.3 1 UNL1111111111 -0.0096 6 C -0.6974 0.5880 -0.2058 C.ar 1 UNL1111111111 -0.0287 7 C 0.7480 2.5981 0.0801 C.3 1 UNL1111111111 -0.4344 8 C -1.2673 0.4867 1.0652 C.ar 1 UNL1111111111 -0.1494 9 C -1.4245 0.1742 -1.3239 C.ar 1 UNL1111111111 -0.1631 10 C 1.4992 -1.1782 0.0310 C.2 1 UNL1111111111 0.5779 11 C -2.5514 -0.0311 1.2159 C.ar 1 UNL1111111111 -0.1424 12 C -2.7089 -0.3426 -1.1708 C.ar 1 UNL1111111111 -0.1403 13 C -3.2736 -0.4470 0.0987 C.ar 1 UNL1111111111 -0.1529 14 H 0.9669 1.1148 -1.4787 H 1 UNL1111111111 0.1570 15 HA 1.5935 0.4421 1.4939 H 1 UNL1111111111 0.1798 16 H 0.4551 2.7037 1.1299 H 1 UNL1111111111 0.1463 17 H 1.7689 2.9965 -0.0151 H 1 UNL1111111111 0.1685 18 H 0.0807 3.2323 -0.5140 H 1 UNL1111111111 0.1476 19 H -0.7074 0.8048 1.9425 H 1 UNL1111111111 0.1520 20 H -0.9888 0.2481 -2.3190 H 1 UNL1111111111 0.1547 21 H1 3.2783 0.5704 -0.9621 H 1 UNL1111111111 0.2665 22 H2 3.7943 0.2324 0.5647 H 1 UNL1111111111 0.2597 23 H -2.9893 -0.1132 2.2085 H 1 UNL1111111111 0.1484 24 H -3.2701 -0.6674 -2.0450 H 1 UNL1111111111 0.1505 25 H -4.2755 -0.8531 0.2177 H 1 UNL1111111111 0.1484 26 H 0.6931 -2.7792 0.8602 H 1 UNL1111111111 0.3564 @BOND 1 1 10 1 2 1 26 1 3 2 10 2 4 3 5 1 5 3 21 1 6 3 22 1 7 4 5 1 8 4 6 1 9 4 7 1 10 4 14 1 11 5 10 1 12 5 15 1 13 6 8 ar 14 6 9 ar 15 7 16 1 16 7 17 1 17 7 18 1 18 8 11 ar 19 8 19 1 20 9 12 ar 21 9 20 1 22 11 13 ar 23 11 23 1 24 12 13 ar 25 12 24 1 26 13 25 1