HMDB0240340 RDKit 3D N-Acetyl-1-methylhistidine 28 28 0 0 0 0 0 0 0 0999 V2000 3.8694 1.1474 -0.8292 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1591 -0.1330 -0.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8052 -1.1968 -0.7131 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7631 -0.1673 -0.5715 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9804 -1.3778 -0.4418 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2571 -1.4513 0.8765 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6822 -0.3221 1.0699 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0149 -0.2167 0.7289 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4803 1.0045 1.0968 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8245 1.5365 0.9278 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 1.6497 1.6551 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3710 0.8519 1.6423 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0829 -1.5236 -1.6075 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0931 -0.6402 -2.5272 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7848 -2.5811 -1.7645 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8054 1.0323 -1.4413 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2015 1.5633 0.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2752 1.9260 -1.3619 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2349 0.7285 -0.5645 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7002 -2.2227 -0.4689 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2662 -2.4311 0.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0321 -1.4936 1.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6213 -0.9533 0.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5525 0.7475 0.6842 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8472 2.3308 0.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1928 1.9946 1.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4862 2.6511 2.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6719 -2.4536 -2.2376 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 2 0 5 13 1 0 13 14 2 0 13 15 1 0 12 7 1 0 1 16 1 0 1 17 1 0 1 18 1 0 4 19 1 0 5 20 1 1 6 21 1 0 6 22 1 0 8 23 1 0 10 24 1 0 10 25 1 0 10 26 1 0 11 27 1 0 15 28 1 0 M END