HMDB0028707 RDKit 3D Arginylglutamine 43 42 0 0 0 0 0 0 0 0999 V2000 5.0875 0.3902 3.5015 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1036 -0.3815 2.4542 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0905 -1.4084 2.4758 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2030 -0.2109 1.3708 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2604 -1.1136 0.2736 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2549 -0.8325 -0.8089 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8394 -0.8948 -0.3423 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9303 -0.5959 -1.5136 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2072 0.7233 -2.0399 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4861 -0.7150 -1.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8848 -1.7948 -0.6005 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3328 0.3962 -1.2297 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7441 0.3050 -0.8087 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8900 1.3192 0.2922 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2519 1.4207 0.8962 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6754 0.1531 1.5013 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0219 0.1091 2.0181 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9739 -0.8759 1.6044 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5962 0.6163 -1.9576 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0898 0.9301 -3.0551 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9633 0.5708 -1.8618 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3728 1.1483 3.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1105 -2.0678 3.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7577 -1.4686 1.6996 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5283 0.5763 1.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2049 -2.1503 0.6454 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2778 -1.0159 -0.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3860 -1.6222 -1.5913 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4588 0.1382 -1.2976 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6290 -1.9295 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5936 -0.1975 0.4634 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0987 -1.3121 -2.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6299 0.9597 -2.8519 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2708 1.4497 -1.3078 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0203 1.3005 -1.6267 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9109 -0.7068 -0.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5563 2.3259 -0.0835 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1345 1.0627 1.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2326 2.2273 1.7032 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9771 1.7228 0.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5255 0.9594 2.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4990 -0.8019 2.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5291 1.2910 -2.2949 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 8 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 2 0 13 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 6 9 33 1 0 9 34 1 0 12 35 1 0 13 36 1 1 14 37 1 0 14 38 1 0 15 39 1 0 15 40 1 0 17 41 1 0 17 42 1 0 21 43 1 0 M END