HMDB0028813 RDKit 3D Glutamylarginine 42 41 0 0 0 0 0 0 0 0999 V2000 5.4552 0.4857 1.5579 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5734 0.4723 0.2778 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4162 1.4776 -0.2970 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9019 -0.4936 -0.5044 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5420 -0.3055 -1.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5544 -0.3220 0.1753 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1724 -0.1528 -0.3863 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1181 -0.1850 0.7060 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1860 -0.0328 0.0126 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9982 -1.1590 -0.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5521 -2.2940 0.2272 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2910 -1.1009 -0.8752 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6041 -2.5010 -1.2749 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4342 -0.6781 -0.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4427 0.6635 0.5726 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4432 1.7981 -0.3581 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6099 1.9527 -1.2973 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4159 2.8268 -0.2592 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2787 0.8241 1.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6384 1.6979 1.8904 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3726 0.9229 2.5646 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8703 -0.1961 2.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0179 2.4400 -0.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3626 1.2360 -0.6558 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3854 -1.3826 -0.7445 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2600 -1.1515 -1.6636 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5104 0.6341 -1.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8583 0.4808 0.8951 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6787 -1.3072 0.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1014 0.7643 -0.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9869 -1.0254 -1.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 -1.2337 1.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3749 0.9475 -0.2634 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2442 -0.5472 -1.8421 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3452 -2.9077 -0.6707 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7651 -3.1114 -1.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3555 -0.7372 -0.7047 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6644 -1.4238 0.7633 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6201 0.7734 1.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3681 0.7354 1.2011 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8006 2.9645 0.6932 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6210 0.1507 3.1710 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 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 8 19 1 0 19 20 2 0 19 21 1 0 1 22 1 0 3 23 1 0 3 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 6 28 1 0 6 29 1 0 7 30 1 0 7 31 1 0 8 32 1 1 9 33 1 0 12 34 1 6 13 35 1 0 13 36 1 0 14 37 1 0 14 38 1 0 15 39 1 0 15 40 1 0 18 41 1 0 21 42 1 0 M END