HMDB0242033 RDKit 3D N-Lauroyl Histidine 55 55 0 0 0 0 0 0 0 0999 V2000 -3.9350 -1.1890 -4.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1636 -1.4802 -3.4494 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0616 -2.3441 -2.5975 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4060 -2.7041 -1.2817 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0781 -1.4678 -0.4881 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4279 -1.9127 0.8071 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0905 -0.6944 1.6183 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4367 -1.0666 2.9279 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1099 0.1794 3.7233 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1703 1.1050 3.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1508 0.4593 2.6854 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0249 1.4170 1.9807 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6230 2.5653 1.7375 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3284 1.0285 1.5784 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2214 1.9496 0.8789 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5740 1.4152 -0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3132 1.2606 -1.2566 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 0.1244 -1.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4980 0.4030 -2.0893 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5842 1.6521 -2.5707 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7215 2.1551 -2.0342 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4312 2.2007 1.7032 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6306 1.6896 2.8204 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3881 3.0609 1.1805 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3949 -0.1795 -4.6645 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2884 -1.2415 -5.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7627 -1.9144 -4.8874 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2471 -2.0709 -3.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8796 -0.5357 -2.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9814 -1.7637 -2.3898 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3219 -3.2461 -3.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4433 -3.2306 -1.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0689 -3.3857 -0.7256 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3274 -0.8699 -1.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0036 -0.8999 -0.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1372 -2.5252 1.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4893 -2.4466 0.5478 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3779 -0.0481 1.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9886 -0.0821 1.8127 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1474 -1.6554 3.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 -1.6604 2.7655 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6645 -0.0827 4.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0279 0.7599 3.9489 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0285 1.9537 3.7064 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6467 1.5285 2.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9891 -0.4529 2.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6511 0.1810 3.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6689 0.0830 1.7747 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7227 2.9314 0.7354 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1775 2.1809 -1.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1370 0.4653 -0.4125 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7133 -0.7995 -0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8703 2.1102 -3.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0743 3.1241 -2.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5325 3.9660 1.6215 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 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 15 22 1 0 22 23 2 0 22 24 1 0 21 17 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 4 33 1 0 5 34 1 0 5 35 1 0 6 36 1 0 6 37 1 0 7 38 1 0 7 39 1 0 8 40 1 0 8 41 1 0 9 42 1 0 9 43 1 0 10 44 1 0 10 45 1 0 11 46 1 0 11 47 1 0 14 48 1 0 15 49 1 0 16 50 1 0 16 51 1 0 18 52 1 0 20 53 1 0 21 54 1 0 24 55 1 0 M END