HMDB0000594 RDKit 3D gamma-Glutamylphenylalanine 39 39 0 0 0 0 0 0 0 0999 V2000 -5.3415 1.5921 0.0010 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2142 0.6600 -0.2271 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7848 0.2185 1.1423 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6478 -0.7405 1.1583 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4391 -0.1398 0.5901 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4166 1.0594 0.2824 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2897 -0.9339 0.3913 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9118 -0.3496 -0.1703 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9623 -0.4817 0.9275 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2450 0.0697 0.4984 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5270 1.4134 0.6791 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7378 1.9001 0.2801 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6679 1.0748 -0.2933 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3814 -0.2582 -0.4697 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1775 -0.7816 -0.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3239 -1.0513 -1.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6247 -2.0541 -1.7600 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4114 -0.7206 -2.1776 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6716 -0.4845 -1.0531 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8754 -0.5216 -1.3955 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8343 -1.4973 -1.4550 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8318 1.3569 0.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8964 2.5217 0.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3880 1.1992 -0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5389 1.1781 1.6923 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6733 -0.1730 1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4464 -0.9621 2.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8835 -1.7025 0.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2367 -1.9546 0.6282 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6852 0.7296 -0.3617 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5802 -0.0210 1.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0506 -1.5900 1.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8264 2.0835 1.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9537 2.9660 0.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6373 1.4446 -0.6173 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0930 -0.9433 -0.9203 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9464 -1.8363 -0.2152 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6826 0.2185 -2.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0162 -2.4886 -1.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 8 16 1 0 16 17 2 0 16 18 1 0 2 19 1 0 19 20 2 0 19 21 1 0 15 10 1 0 1 22 1 0 1 23 1 0 2 24 1 6 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 7 29 1 0 8 30 1 6 9 31 1 0 9 32 1 0 11 33 1 0 12 34 1 0 13 35 1 0 14 36 1 0 15 37 1 0 18 38 1 0 21 39 1 0 M END