HMDB0028914 RDKit 3D Isoleucyl-Phenylalanine 42 42 0 0 0 0 0 0 0 0999 V2000 -4.7542 1.2848 -0.7129 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2356 1.4080 -0.5178 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8561 0.2952 0.4189 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6527 0.5490 1.7078 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3937 0.2864 0.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1929 -0.8305 1.6973 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4816 0.1365 -0.3515 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4401 1.0209 -1.2794 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3559 -1.0086 -0.4206 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 -1.2228 -1.5259 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6522 -1.4298 -0.9537 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1397 -0.2842 -0.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8531 0.7656 -0.6883 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2772 1.8002 0.1009 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0022 1.8189 1.4393 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2891 0.7741 1.9766 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8601 -0.2695 1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9099 -2.4623 -2.2598 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0512 -3.1973 -1.9594 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6855 -2.8270 -3.3523 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0757 1.8686 -1.6054 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2978 1.6883 0.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0578 0.2258 -0.8313 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0347 2.3658 0.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7200 1.3724 -1.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1206 -0.6595 -0.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1403 0.1220 2.5777 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6668 0.1472 1.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6703 1.6628 1.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1472 1.1965 1.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2357 -0.8458 2.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5004 -1.7317 1.2813 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2984 -1.7069 0.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2129 -0.3938 -2.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3779 -1.6987 -1.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6046 -2.3327 -0.3059 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0738 0.7605 -1.7362 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8425 2.6020 -0.3961 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3596 2.6602 2.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0851 0.8128 3.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3046 -1.0565 1.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2618 -3.6666 -3.3226 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 16 17 2 0 10 18 1 0 18 19 2 0 18 20 1 0 17 12 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 2 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 6 31 1 0 6 32 1 0 9 33 1 0 10 34 1 0 11 35 1 0 11 36 1 0 13 37 1 0 14 38 1 0 15 39 1 0 16 40 1 0 17 41 1 0 20 42 1 0 M END