HMDB0242028 RDKit 3D N-Lauroyl Asparagine 52 51 0 0 0 0 0 0 0 0999 V2000 -6.6276 -2.1514 -0.4364 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9449 -0.8787 0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4489 0.3031 -0.5003 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9564 0.2367 -0.7266 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2682 0.2384 0.6077 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7534 0.1750 0.4579 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1983 0.1836 1.8601 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6873 0.1365 1.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1893 -1.1034 1.2227 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3141 -1.1495 1.2838 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9178 0.0192 0.5842 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4219 -0.0447 0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9937 -1.0046 1.2196 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1950 0.9766 0.0274 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6497 0.9374 0.0638 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2351 0.9966 -1.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8055 -0.1199 -2.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2921 -0.1762 -3.5119 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0273 -0.9859 -1.7012 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1673 2.1444 0.7914 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3606 2.9676 1.2402 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5273 2.3393 0.9611 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4136 -2.9196 -0.3496 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6406 -2.5577 -0.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5634 -1.8882 -1.5199 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0638 -0.8369 0.3768 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5829 -0.8639 1.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0196 0.3920 -1.4297 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6640 1.2259 0.1021 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7107 -0.6832 -1.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6672 1.0914 -1.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4944 1.1974 1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5689 -0.6424 1.1805 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4440 -0.7767 -0.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3496 1.0308 -0.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6325 -0.7192 2.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5995 1.0802 2.3626 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3488 1.0736 1.3847 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3488 0.1532 2.9379 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6442 -1.9830 1.7331 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4773 -1.0981 0.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5795 -1.1919 2.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6218 -2.1246 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6326 0.0059 -0.4733 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5925 0.9831 1.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6811 1.7566 -0.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9509 0.0199 0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3325 0.9624 -1.2356 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9230 1.9881 -1.7515 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2760 0.0473 -3.7792 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5795 -0.4655 -4.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2313 1.7033 0.6191 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 1 0 17 19 2 0 15 20 1 0 20 21 2 0 20 22 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 2 27 1 0 3 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 5 32 1 0 5 33 1 0 6 34 1 0 6 35 1 0 7 36 1 0 7 37 1 0 8 38 1 0 8 39 1 0 9 40 1 0 9 41 1 0 10 42 1 0 10 43 1 0 11 44 1 0 11 45 1 0 14 46 1 0 15 47 1 0 16 48 1 0 16 49 1 0 18 50 1 0 18 51 1 0 22 52 1 0 M END