HMDB0028945 RDKit 3D Lysylarginine 47 46 0 0 0 0 0 0 0 0999 V2000 6.0477 0.3355 1.5164 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 1.2305 1.1343 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7560 2.1885 2.0720 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7516 1.2798 -0.1976 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8619 0.1323 -1.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9354 -0.9993 -0.6201 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5599 -0.4434 -0.6356 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4673 -1.3853 -0.2088 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2333 -0.6213 -0.3091 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8359 -0.9528 -1.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8039 -1.9372 -1.8840 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0570 -0.0733 -1.1563 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0157 -0.6372 -2.1301 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6771 -0.1207 0.1955 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8797 0.7269 0.3798 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9815 0.3774 -0.5563 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1797 1.2821 -0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5977 1.0553 1.1345 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6485 -1.7774 1.2061 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7871 -1.4037 2.0477 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7277 -2.5401 1.6401 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3782 -0.3625 0.8165 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5191 3.1571 1.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6583 1.9172 3.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3190 2.1760 -0.5305 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9086 -0.2028 -1.1654 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5643 0.4767 -2.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1061 -1.8368 -1.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2271 -1.3351 0.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3197 -0.1369 -1.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5395 0.4690 -0.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4131 -2.2630 -0.8852 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1971 0.2343 0.3213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7478 0.9269 -1.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6857 -0.4587 -3.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0014 -1.6725 -1.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9079 0.1365 0.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9590 -1.1890 0.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2864 0.6022 1.4204 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6163 1.8131 0.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7390 0.6728 -1.6085 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2444 -0.6792 -0.5451 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8338 2.3318 -0.3566 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0122 1.0673 -0.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5470 0.0408 1.4007 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0618 1.6094 1.8412 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5278 -3.2113 2.3855 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 16 17 1 0 17 18 1 0 8 19 1 0 19 20 2 0 19 21 1 0 1 22 1 0 3 23 1 0 3 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 6 28 1 0 6 29 1 0 7 30 1 0 7 31 1 0 8 32 1 6 9 33 1 0 12 34 1 6 13 35 1 0 13 36 1 0 14 37 1 0 14 38 1 0 15 39 1 0 15 40 1 0 16 41 1 0 16 42 1 0 17 43 1 0 17 44 1 0 18 45 1 0 18 46 1 0 21 47 1 0 M END