HMDB0028998 RDKit 3D Phenylalanylisoleucine 42 42 0 0 0 0 0 0 0 0999 V2000 -1.2214 3.4143 -0.8378 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0481 2.9298 -2.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6893 1.5992 -1.8026 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5986 1.5057 -0.6067 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8581 0.3995 -1.9767 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7054 0.2469 -1.1578 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2295 -0.9790 -0.5938 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8683 -2.0201 -0.8240 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9893 -1.0279 0.2362 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3250 0.2786 0.8011 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8873 -2.0858 1.2725 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1099 -2.1519 2.1294 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1193 -1.3619 3.2481 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2129 -1.3475 4.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3159 -2.1549 3.7606 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2907 -2.9384 2.6385 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1844 -2.9666 1.7772 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5039 0.2118 -3.4221 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3241 -0.1773 -3.6761 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3562 0.4343 -4.4688 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3555 2.8337 0.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1378 3.4494 -1.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4772 4.4877 -0.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3995 2.9271 -2.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8034 3.7265 -2.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4769 1.5798 -2.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0628 1.5827 0.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0796 0.5025 -0.6509 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4363 2.2346 -0.7025 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4827 -0.5464 -1.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1417 1.1086 -0.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8233 -1.2258 -0.4996 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6277 0.5670 1.5223 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5697 0.9910 0.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6835 -3.0850 0.8072 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0325 -1.8682 1.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2721 -0.7111 3.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2549 -0.7398 4.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2004 -2.1593 4.4129 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1367 -3.5779 2.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1622 -3.5774 0.9015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9413 -0.3088 -4.8733 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 16 17 2 0 5 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 6 4 27 1 0 4 28 1 0 4 29 1 0 5 30 1 1 6 31 1 0 9 32 1 6 10 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