HMDB0028681 RDKit 3D Alanylarginine 36 35 0 0 0 0 0 0 0 0999 V2000 -5.1771 0.7714 -0.6598 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9652 0.7511 0.2287 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3282 2.0646 0.1648 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0687 -0.3626 -0.0959 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6612 -1.4833 -0.3436 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6714 -0.2635 -0.1430 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 -1.4648 -0.4854 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4812 -1.2071 -0.9557 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4628 -0.6322 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7848 -0.3351 -0.7372 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7227 0.0828 0.2874 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9001 0.8275 -0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9595 0.3075 -0.4306 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7679 2.2480 0.2958 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8030 -2.0794 0.9565 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3996 -3.1200 1.1611 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0910 -1.3827 1.8988 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0532 1.5585 -1.4506 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2931 -0.2225 -1.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0867 0.9854 -0.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2903 0.6127 1.3051 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8797 2.2248 -0.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5429 2.0052 0.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2142 0.6041 0.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4620 -2.1685 -1.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4715 -0.5341 -1.8819 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 -2.1412 -1.3702 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7271 -1.3658 0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1646 0.3124 0.5015 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5955 0.5313 -1.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1493 -1.2204 -1.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5486 -0.1842 1.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9952 -0.7470 -0.5842 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3645 2.5534 1.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0767 2.9056 -0.4201 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2999 -0.4320 2.2072 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 2 0 4 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 3 12 14 1 0 7 15 1 0 15 16 2 0 15 17 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 1 3 22 1 0 3 23 1 0 6 24 1 0 7 25 1 6 8 26 1 0 8 27 1 0 9 28 1 0 9 29 1 0 10 30 1 0 10 31 1 0 11 32 1 0 13 33 1 0 14 34 1 0 14 35 1 0 17 36 1 0 M END