HMDB0003764 RDKit 3D Glutamylalanine 29 28 0 0 0 0 0 0 0 0999 V2000 -3.4724 -0.4435 0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5657 0.7135 -0.0728 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2130 0.4374 0.4126 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1228 0.3564 -0.4693 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3018 0.5234 -1.7049 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2702 0.0787 -0.0320 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2865 -0.0851 1.4179 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7022 -1.1787 -0.7063 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0911 -1.6177 -0.3832 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1421 -0.6713 -0.7423 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3398 -0.9374 -0.4882 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8486 0.5266 -1.3637 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1206 1.9214 0.6091 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4139 2.5112 1.4503 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3866 2.4042 0.3390 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1807 -0.1803 1.0914 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0686 -0.6857 -0.6275 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8351 -1.2923 0.5964 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5731 0.8332 -1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0430 0.2960 1.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8620 0.9665 -0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7069 -0.9030 1.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0194 0.7934 1.8856 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9797 -1.9925 -0.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6061 -1.1255 -1.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3322 -2.5869 -0.8977 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1426 -1.8734 0.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1334 1.4110 -0.9145 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1656 1.8003 0.1480 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 2 0 4 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 2 13 1 0 13 14 2 0 13 15 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 6 3 20 1 0 6 21 1 1 7 22 1 0 7 23 1 0 8 24 1 0 8 25 1 0 9 26 1 0 9 27 1 0 12 28 1 0 15 29 1 0 M END