HMDB0028712 RDKit 3D Arginylisoleucine 45 44 0 0 0 0 0 0 0 0999 V2000 -3.8993 1.2308 1.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5155 0.3660 0.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7072 -0.8021 -0.4204 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3728 -1.7521 0.7083 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5643 -0.4754 -1.3191 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5641 0.3837 -0.8080 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2052 0.0004 -0.8227 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1321 -1.1364 -1.3046 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9050 0.8317 -0.3108 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4480 2.0522 0.2641 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8257 0.0455 0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9578 0.8459 1.1216 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8166 -0.0537 1.9833 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3729 -1.1547 1.1921 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3394 -0.8298 0.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0247 -0.5923 -0.9775 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7021 -0.7733 0.6601 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1769 0.1815 -2.5351 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7906 1.2911 -2.9398 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1822 -0.5283 -3.1563 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6666 1.4102 1.8872 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0248 0.8275 1.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7172 2.2590 0.6646 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7779 0.9528 -0.8889 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5034 -0.0529 0.3951 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4221 -1.4000 -1.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8577 -1.2843 1.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8552 -2.6289 0.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3692 -2.1215 1.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1220 -1.4522 -1.6688 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8057 1.3092 -0.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5444 1.1337 -1.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9372 2.8951 -0.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3172 2.0323 1.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2170 -0.8702 0.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2190 -0.3282 1.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5789 1.2111 0.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6446 1.7124 1.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1858 -0.4877 2.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6306 0.5328 2.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0436 -2.1185 1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0650 -0.6118 -1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0066 -0.0463 1.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3702 -1.4663 0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1845 -0.5380 -4.1780 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 3 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 3 15 17 1 0 5 18 1 0 18 19 2 0 18 20 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 2 25 1 0 3 26 1 6 4 27 1 0 4 28 1 0 4 29 1 0 5 30 1 6 6 31 1 0 9 32 1 6 10 33 1 0 10 34 1 0 11 35 1 0 11 36 1 0 12 37 1 0 12 38 1 0 13 39 1 0 13 40 1 0 14 41 1 0 16 42 1 0 17 43 1 0 17 44 1 0 20 45 1 0 M END