HMDB0029132 RDKit 3D Valyllysine 40 39 0 0 0 0 0 0 0 0999 V2000 -4.9196 -0.7852 -1.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5385 -0.8878 -0.4769 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6349 -1.5351 0.8958 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9491 0.4844 -0.3140 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9112 1.1143 -1.6288 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6065 0.4382 0.2879 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4034 -0.0640 1.4179 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5072 0.9734 -0.4213 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 0.9522 0.1343 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6592 0.1058 -0.8173 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0977 -0.0223 -0.3878 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1814 -0.6533 0.9888 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6597 -0.7448 1.3384 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2971 -1.5651 0.3374 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3698 2.3130 0.2629 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6701 3.2884 -0.1090 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6093 2.5736 0.7835 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6485 -1.3892 -0.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2465 0.2721 -0.9949 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9519 -1.1532 -2.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8811 -1.4810 -1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6378 -2.0335 1.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6253 -0.7372 1.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8311 -2.2609 1.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6077 1.0988 0.3537 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6090 0.6708 -2.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1912 2.1138 -1.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6373 1.3996 -1.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7814 0.4655 1.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1885 -0.9154 -0.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5664 0.5658 -1.8244 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6293 0.9378 -0.4577 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5860 -0.7062 -1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7380 -1.6561 0.9427 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6683 -0.0095 1.7192 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7138 -1.1737 2.3552 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0816 0.2772 1.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5937 -2.2137 -0.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6056 -0.9385 -0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 2.8809 1.7173 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 9 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 0 3 22 1 0 3 23 1 0 3 24 1 0 4 25 1 1 5 26 1 0 5 27 1 0 8 28 1 0 9 29 1 1 10 30 1 0 10 31 1 0 11 32 1 0 11 33 1 0 12 34 1 0 12 35 1 0 13 36 1 0 13 37 1 0 14 38 1 0 14 39 1 0 17 40 1 0 M END