HMDB0060442 RDKit 3D beta-Alanyl-L-lysine 34 33 0 0 0 0 0 0 0 0999 V2000 -4.6908 0.6222 1.4963 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2499 0.1471 0.1908 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7701 0.4781 0.0745 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2176 0.0238 -1.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7654 0.3773 -1.3276 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0003 -0.2726 -0.2249 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4153 0.1332 -0.3803 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2294 -0.3491 0.4941 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8343 -1.1961 1.5258 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6677 0.0304 0.3803 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8933 0.9439 -0.7871 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3018 1.2721 -0.8401 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0495 -1.7305 -0.3646 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0182 -2.3381 -0.7105 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1647 -2.5302 -0.1516 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4780 1.6429 1.6075 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6868 0.3947 1.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8144 0.5938 -0.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4184 -0.9432 0.1787 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5908 1.5662 0.1646 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2582 -0.0307 0.9014 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3596 -1.0593 -1.3924 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7996 0.5280 -2.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6036 1.4757 -1.3892 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3779 -0.0479 -2.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2621 0.0830 0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8352 -0.8514 2.4748 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2398 -0.9183 0.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0181 0.4685 1.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3490 1.8974 -0.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5436 0.4754 -1.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8428 0.3757 -0.9072 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5534 1.8241 0.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1843 -3.0861 0.6889 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 7 8 2 3 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 6 13 1 0 13 14 2 0 13 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 6 26 1 1 9 27 1 0 10 28 1 0 10 29 1 0 11 30 1 0 11 31 1 0 12 32 1 0 12 33 1 0 15 34 1 0 M END