HMDB0028804 RDKit 3D Glutaminylphenylalanine 40 40 0 0 0 0 0 0 0 0999 V2000 -5.6445 0.7434 2.5144 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0805 -0.1369 1.7686 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9187 -1.4319 2.1808 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5985 0.2774 0.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0876 0.0117 0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4893 0.4078 -0.9224 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1205 -0.3771 -1.9826 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0513 0.0700 -0.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6771 -1.2379 -0.6615 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1801 0.9736 -1.0206 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2549 0.8231 -1.0005 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6791 0.3902 0.3615 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1011 0.1862 0.5684 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9920 1.1587 0.9754 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3247 0.9377 1.1656 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8385 -0.3187 0.9463 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9925 -1.3264 0.5388 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6341 -1.0730 0.3521 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6608 -0.1339 -2.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7785 -0.6613 -2.7662 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9727 -0.4983 -2.3032 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9966 0.4796 3.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6160 -2.1430 2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7722 1.3444 0.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0167 -0.3666 -0.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5717 0.5447 1.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9841 -1.0793 0.5884 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6273 1.4919 -1.1035 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4177 -0.6193 -2.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8616 0.2081 -2.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1413 -1.9490 -1.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6621 1.8063 -1.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2878 1.1275 1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1519 -0.5575 0.5973 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5908 2.1395 1.1466 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9669 1.7574 1.4886 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8936 -0.5049 1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -2.3036 0.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0493 -1.9221 0.0346 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5970 0.0610 -2.8794 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 8 10 2 3 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 11 19 1 0 19 20 2 0 19 21 1 0 18 13 1 0 1 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 6 28 1 6 7 29 1 0 7 30 1 0 9 31 1 0 11 32 1 6 12 33 1 0 12 34 1 0 14 35 1 0 15 36 1 0 16 37 1 0 17 38 1 0 18 39 1 0 21 40 1 0 M END