HMDB0029108 RDKit 3D Tyrosyl-Isoleucine 43 43 0 0 0 0 0 0 0 0999 V2000 1.5274 -0.0048 -2.9711 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7546 0.9620 -3.7923 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0251 2.0308 -3.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 2.8880 -4.1146 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0272 1.5397 -2.1222 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5647 0.6744 -1.0718 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0986 1.0540 0.1044 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3847 2.2460 0.3861 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4987 0.0197 1.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1628 0.6028 2.2246 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6977 -0.7864 1.5649 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2304 -1.8014 2.5481 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1694 -3.0628 2.1529 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6056 -4.0167 3.0501 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6581 -3.7367 4.3976 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0863 -4.6486 5.3542 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2604 -2.4781 4.8027 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1789 -1.5168 3.9012 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8279 2.6352 -1.5205 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0303 2.6644 -0.2946 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3587 3.6351 -2.3117 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4497 -0.2935 -3.5508 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9829 -0.9415 -2.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9204 0.4608 -2.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4594 1.4635 -4.5071 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 0.3989 -4.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7228 2.6772 -2.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1873 2.7021 -5.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6961 2.4869 -4.2226 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6699 3.9605 -3.8537 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7826 0.9684 -2.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7532 -0.3571 -1.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2202 -0.6540 0.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 1.1913 1.9091 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4710 1.2199 2.7078 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1729 -1.3133 0.7031 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4477 -0.1334 2.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1172 -3.2578 1.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9102 -4.9935 2.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3708 -5.5681 4.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -2.2439 5.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4926 -0.5206 4.2308 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3477 3.8475 -2.3356 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 3 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 2 0 5 19 1 0 19 20 2 0 19 21 1 0 18 12 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 6 32 1 0 9 33 1 0 10 34 1 0 10 35 1 0 11 36 1 0 11 37 1 0 13 38 1 0 14 39 1 0 16 40 1 0 17 41 1 0 18 42 1 0 21 43 1 0 M END