HMDB0029129 RDKit 3D Valylhistidine 36 36 0 0 0 0 0 0 0 0999 V2000 2.7597 2.4038 1.1801 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5897 0.9031 0.9062 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8545 0.3757 0.2892 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3705 0.7369 0.1042 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2357 1.2422 0.8355 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1226 -0.6630 -0.4023 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1644 -1.1714 -0.9447 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0624 -1.2050 -0.2543 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3339 -1.7867 -0.0956 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3660 -1.4544 -1.1152 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6590 -0.0005 -1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6186 0.7063 -0.4691 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5754 2.0021 -0.8266 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6196 2.1383 -1.7496 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0595 0.9118 -1.9718 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2251 -3.2968 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1288 -3.8857 0.0239 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4317 -3.9718 0.1723 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4496 2.6759 2.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8049 2.7181 0.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1058 2.9896 0.4997 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4676 0.4323 1.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8871 0.3948 -0.8035 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1315 -0.6053 0.7257 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6807 1.0691 0.6256 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4624 1.3477 -0.8247 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0181 2.2316 0.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2884 1.0221 1.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2788 -2.3152 -1.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7952 -1.4568 0.9222 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3341 -1.9522 -0.8447 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0568 -1.7712 -2.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2510 0.1974 0.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3736 3.0810 -2.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2877 0.7737 -2.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4936 -4.8175 0.7618 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 2 0 12 13 1 0 13 14 2 0 14 15 1 0 9 16 1 0 16 17 2 0 16 18 1 0 15 11 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 3 23 1 0 3 24 1 0 3 25 1 0 4 26 1 6 5 27 1 0 5 28 1 0 8 29 1 0 9 30 1 1 10 31 1 0 10 32 1 0 12 33 1 0 14 34 1 0 15 35 1 0 18 36 1 0 M END