@MOLECULE 3-methyl-l-phenylalanine 26 26 0 0 0 SMALL GASTEIGER @ATOM 1 C 3.0359 0.2372 0.0210 C.2 1 UNL111111111 0.6297 2 O 3.7665 -0.6295 0.4168 O.2 1 UNL111111111 -0.5011 3 CA 1.5760 0.1249 -0.3933 C.3 1 UNL111111111 0.0052 4 N 1.5201 -0.9191 -1.4247 N.3 1 UNL111111111 -0.6286 5 C 0.7533 -0.1704 0.8847 C.3 1 UNL111111111 -0.3479 6 C -0.6947 -0.2989 0.5304 C.ar 1 UNL111111111 0.0276 7 C -1.2700 -1.5615 0.3789 C.ar 1 UNL111111111 -0.2079 8 C -1.4637 0.8477 0.3275 C.ar 1 UNL111111111 -0.2166 9 C -2.6110 -1.6722 0.0171 C.ar 1 UNL111111111 -0.1172 10 C -2.8061 0.7354 -0.0375 C.ar 1 UNL111111111 0.0642 11 C -3.3785 -0.5302 -0.1941 C.ar 1 UNL111111111 -0.2014 12 C -3.6285 1.9611 -0.2452 C.3 1 UNL111111111 -0.4595 13 OXT 3.4476 1.5252 -0.0724 O.3 1 UNL111111111 -0.5580 14 HA 1.2262 1.0893 -0.8574 H 1 UNL111111111 0.1828 15 H1 1.8368 -1.8153 -1.0820 H 1 UNL111111111 0.2641 16 H2 0.5902 -1.0171 -1.8057 H 1 UNL111111111 0.2665 17 H 0.9040 0.6402 1.6278 H 1 UNL111111111 0.1690 18 H 1.1326 -1.0877 1.3814 H 1 UNL111111111 0.1703 19 H -0.6787 -2.4579 0.5488 H 1 UNL111111111 0.1549 20 H -1.0168 1.8314 0.4546 H 1 UNL111111111 0.1588 21 H -3.0613 -2.6571 -0.1001 H 1 UNL111111111 0.1509 22 H -4.4240 -0.6231 -0.4783 H 1 UNL111111111 0.1563 23 H -4.1312 2.2546 0.6899 H 1 UNL111111111 0.1651 24 H -3.0265 2.8204 -0.5716 H 1 UNL111111111 0.1588 25 H -4.4132 1.8147 -1.0005 H 1 UNL111111111 0.1594 26 HXT 4.3989 1.6587 0.1604 H 1 UNL111111111 0.3545 @BOND 1 1 2 2 2 1 3 1 3 1 13 1 4 3 4 1 5 3 5 1 6 3 14 1 7 4 15 1 8 4 16 1 9 5 6 1 10 5 17 1 11 5 18 1 12 6 7 ar 13 6 8 ar 14 7 9 ar 15 7 19 1 16 8 10 ar 17 8 20 1 18 9 11 ar 19 9 21 1 20 10 11 ar 21 10 12 1 22 11 22 1 23 12 23 1 24 12 24 1 25 12 25 1 26 13 26 1