HMDB0028894 RDKit 3D Histidylserine 31 31 0 0 0 0 0 0 0 0999 V2000 1.0131 -3.3602 0.2466 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9244 -1.8791 0.4085 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1485 -1.2916 -0.1869 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2931 0.1583 -0.1404 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8674 0.9056 0.8983 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8294 2.1837 0.5480 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2625 2.2964 -0.6577 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9326 1.0470 -1.0802 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3549 -1.4108 -0.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0844 -2.2369 -0.7707 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8547 -0.1027 0.0354 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1535 0.2895 -0.5087 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0550 0.5135 0.7086 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1644 -0.6533 1.4630 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0182 1.5823 -1.1726 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9298 2.1823 -1.1970 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1561 2.1283 -1.7835 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2377 -3.5532 -0.7535 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8676 -3.6166 0.8254 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9661 -1.7388 1.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0557 -1.7970 0.2226 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1525 -1.5938 -1.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2641 0.5102 1.8092 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1876 2.9740 1.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0973 3.2128 -1.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2991 0.6066 0.5465 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5835 -0.5273 -1.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0716 0.8329 0.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6314 1.3335 1.3256 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9178 -0.4877 2.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8253 1.4922 -2.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 2 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 12 15 1 0 15 16 2 0 15 17 1 0 8 4 1 0 1 18 1 0 1 19 1 0 2 20 1 1 3 21 1 0 3 22 1 0 5 23 1 0 6 24 1 0 7 25 1 0 11 26 1 0 12 27 1 6 13 28 1 0 13 29 1 0 14 30 1 0 17 31 1 0 M END