HMDB0028919 RDKit 3D Isoleucyl-Tyrosine 43 43 0 0 0 0 0 0 0 0999 V2000 -1.2606 1.6299 0.7699 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5723 0.9545 0.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0784 0.1338 -0.1687 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2377 0.8973 -1.4733 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5839 -1.2464 -0.3622 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3298 -1.7430 -1.5587 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1940 -1.5068 -0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8153 -1.6958 -1.8366 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 -1.5988 0.3376 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2145 -1.9021 -0.0643 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3384 -1.2365 0.6021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4469 0.2094 0.5505 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9445 0.9877 1.5572 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0496 2.3564 1.5089 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6611 2.9690 0.4486 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7679 4.3725 0.4009 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1681 2.2138 -0.5644 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0615 0.8384 -0.5139 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4341 -3.3940 0.1595 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5338 -4.1029 0.6124 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6639 -3.8928 -0.1647 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7725 1.7904 1.7762 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3644 2.6735 0.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 1.1021 0.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3193 1.7498 1.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5179 0.3126 1.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2085 -0.0344 0.1107 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7883 0.2196 -2.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9188 1.7608 -1.2716 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2929 1.1863 -1.9271 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8987 -1.8900 0.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4643 -2.7647 -1.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7478 -1.5506 -2.4152 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3562 -1.4401 1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 -1.7808 -1.1898 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2965 -1.6705 0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -1.6315 1.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4530 0.4999 2.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6604 2.9929 2.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6144 4.7489 0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6523 2.6649 -1.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4660 0.2311 -1.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2828 -4.4138 0.4180 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 5 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 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 10 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 6 33 1 0 9 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