HMDB0028947 RDKit 3D Lysylaspartic acid 37 36 0 0 0 0 0 0 0 0999 V2000 -5.7352 1.1051 -0.2265 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0645 0.2413 0.7354 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7365 -0.2221 0.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8376 0.9408 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5460 0.4514 -0.7445 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8444 -0.4495 0.2372 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5810 0.3088 1.4694 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -0.8181 -0.4043 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4741 -1.4598 -1.4598 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6648 -0.4112 0.2323 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9548 -0.7754 -0.4038 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6819 0.4985 -0.6816 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9764 0.3364 -1.3414 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4020 -0.7670 -1.7099 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7711 1.4669 -1.5693 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6514 -1.5999 0.6096 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1153 -1.8177 1.7208 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8928 -2.1475 0.3690 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2388 2.0273 -0.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6967 0.6330 -1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9370 0.7460 1.7063 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6699 -0.6783 0.8768 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2577 -0.8542 0.9433 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9748 -0.8171 -0.7497 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5626 1.4811 0.7911 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3186 1.6603 -0.8659 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8773 1.3035 -1.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7451 -0.1516 -1.6655 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3976 -1.3574 0.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0113 -0.2753 2.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1109 1.2014 1.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7241 0.1187 1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7709 -1.3319 -1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8159 1.0921 0.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0307 1.1074 -1.3558 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7370 2.2207 -0.8888 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0102 -3.0069 -0.1652 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 1 0 6 7 1 0 6 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 11 16 1 0 16 17 2 0 16 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 2 22 1 0 3 23 1 0 3 24 1 0 4 25 1 0 4 26 1 0 5 27 1 0 5 28 1 0 6 29 1 1 7 30 1 0 7 31 1 0 10 32 1 0 11 33 1 6 12 34 1 0 12 35 1 0 15 36 1 0 18 37 1 0 M END