HMDB0028692 RDKit 3D Alanyllysine 34 33 0 0 0 0 0 0 0 0999 V2000 2.8780 1.8911 0.4817 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1379 1.6703 -0.8182 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9771 2.5355 -0.9063 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7521 0.2536 -0.9885 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5860 -0.6720 -0.9506 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3759 -0.0777 -1.2051 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0511 -1.4293 -1.3756 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6659 -2.0733 -0.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8919 -1.5203 0.3829 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9055 -0.1508 0.9347 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8939 0.0856 2.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0455 1.4775 2.4595 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8623 -1.5859 -2.6186 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0535 -0.5609 -3.3160 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4002 -2.7793 -3.0276 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7340 2.9335 0.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9564 1.7259 0.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4681 1.1757 1.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8199 1.9627 -1.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 3.5012 -1.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3738 2.4247 -0.0607 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3037 0.7032 -1.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9176 -2.0059 -1.6108 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 -3.1605 -0.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1566 -2.2162 0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3011 -2.2456 1.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6851 -1.5238 -0.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9237 -0.0833 1.4941 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9456 0.6461 0.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1462 0.0007 1.6575 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0671 -0.5312 2.9158 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0579 1.7030 2.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7772 1.5936 3.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9105 -3.6680 -2.9947 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 7 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 3 21 1 0 6 22 1 0 7 23 1 6 8 24 1 0 8 25 1 0 9 26 1 0 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