HMDB0028725 RDKit 3D Asparaginylarginine 40 39 0 0 0 0 0 0 0 0999 V2000 -5.8010 -0.7441 -2.3670 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5957 -0.2858 -2.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2019 0.6086 -3.3912 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6536 -0.6681 -1.3760 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7794 -0.0649 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6825 -0.5896 0.8524 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3618 -0.2397 0.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2006 -0.6820 1.1165 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0398 -0.2597 0.4232 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8765 0.6700 1.0942 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5976 1.1306 2.2314 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1139 1.1062 0.4284 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8159 2.0413 1.2672 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0211 -0.0400 0.0757 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2334 0.4972 -0.5865 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3652 1.8846 -0.7866 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1534 -0.3007 -0.9729 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1891 -2.1359 1.3111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7644 -2.8329 0.8603 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1942 -2.7929 1.9816 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0781 -1.3955 -1.6228 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7077 0.6305 -4.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4015 1.2404 -3.2335 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9228 -1.3516 -1.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7514 -0.3960 0.3489 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7461 1.0360 -0.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8505 -1.7020 0.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8316 -0.1125 1.8212 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3532 0.8768 0.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2218 -0.6674 -0.7411 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 -0.1705 2.0841 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2708 -0.6351 -0.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8923 1.6264 -0.5404 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9498 2.9640 0.8027 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3034 2.1588 2.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2909 -0.6481 0.9737 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4948 -0.7403 -0.6245 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0545 2.4410 -0.2611 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7280 2.3259 -1.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1752 -3.7830 2.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 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 2 0 10 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 15 17 2 0 8 18 1 0 18 19 2 0 18 20 1 0 1 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 5 25 1 0 5 26 1 0 6 27 1 0 6 28 1 0 7 29 1 0 7 30 1 0 8 31 1 1 9 32 1 0 12 33 1 6 13 34 1 0 13 35 1 0 14 36 1 0 14 37 1 0 16 38 1 0 16 39 1 0 20 40 1 0 M END