HMDB0029121 RDKit 3D Valylarginine 42 41 0 0 0 0 0 0 0 0999 V2000 -2.2971 2.2162 -2.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8289 1.6217 -0.9808 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2610 2.1036 -0.8073 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8555 0.1120 -0.9531 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4049 -0.2343 0.3614 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5268 -0.4918 -1.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8496 -0.4191 -2.1318 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9535 -1.1783 0.0225 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 -1.7995 -0.0476 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3524 -1.0361 0.7851 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7146 -1.6532 0.7119 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7659 -0.9055 1.5126 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9851 0.4390 1.1116 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0566 1.4938 1.2831 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4461 1.6373 2.3935 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8212 2.3878 0.1989 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2737 -3.2235 0.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8753 -3.6724 0.6674 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2817 -4.1628 0.2844 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5805 1.6577 -3.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7611 3.2388 -2.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1986 2.4419 -2.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2521 1.9983 -0.1116 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9363 1.5961 -1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6530 1.8833 0.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3416 3.1967 -1.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5426 -0.2946 -1.7121 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8873 0.2253 1.1208 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4861 -1.2685 0.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4821 -1.2559 0.9109 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7464 -1.7179 -1.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9889 -0.9338 1.8318 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4411 -0.0219 0.2994 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7257 -2.7150 1.0994 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0888 -1.7386 -0.3267 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3878 -0.8959 2.5607 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7009 -1.4792 1.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9029 0.6929 0.6483 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6279 0.9849 3.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5841 2.6907 -0.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8507 2.7200 0.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8573 -4.2400 -0.5507 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 4 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 3 14 16 1 0 9 17 1 0 17 18 2 0 17 19 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 3 24 1 0 3 25 1 0 3 26 1 0 4 27 1 6 5 28 1 0 5 29 1 0 8 30 1 0 9 31 1 6 10 32 1 0 10 33 1 0 11 34 1 0 11 35 1 0 12 36 1 0 12 37 1 0 13 38 1 0 15 39 1 0 16 40 1 0 16 41 1 0 19 42 1 0 M END