HMDB0029086 RDKit 3D Tryptophyl-Isoleucine 46 47 0 0 0 0 0 0 0 0999 V2000 -5.3974 -1.5858 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0735 -1.0648 -0.4145 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9988 0.4105 -0.1239 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0952 0.6804 1.3632 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7488 1.0469 -0.6823 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5417 0.4839 -0.1558 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5464 0.0048 -1.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7110 0.0663 -2.3120 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7414 -0.5945 -0.6134 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9254 -0.6565 0.7929 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9102 0.0424 -1.3696 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2146 -0.4897 -0.9902 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9533 -1.4276 -1.6836 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0785 -1.6558 -0.9952 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1038 -0.8978 0.1282 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0312 -0.7740 1.1407 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8394 0.0838 2.2032 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6793 0.8231 2.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7525 0.6988 1.2116 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9318 -0.1564 0.1427 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7876 2.4823 -0.2187 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8786 2.9807 0.4911 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8468 3.2769 -0.5796 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1152 -0.7679 0.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8782 -2.1727 -0.7192 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2577 -2.2775 0.9664 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9947 -1.1759 -1.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2552 -1.6059 0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8623 0.9197 -0.6013 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9299 0.0770 1.7961 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1403 0.3534 1.8216 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2936 1.7426 1.5649 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7127 1.0201 -1.7786 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3394 0.3994 0.8737 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7241 -1.6721 -0.9727 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9697 -1.5738 1.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6164 0.1426 1.3435 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8274 1.1427 -1.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6802 -0.0656 -2.4504 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6370 -1.8804 -2.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8147 -2.3234 -1.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9467 -1.3529 1.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5594 0.1970 3.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4563 1.5218 3.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8299 1.2910 1.2202 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8178 4.2830 -0.5527 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 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 5 21 1 0 21 22 2 0 21 23 1 0 20 12 1 0 20 15 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 6 34 1 0 9 35 1 0 10 36 1 0 10 37 1 0 11 38 1 0 11 39 1 0 13 40 1 0 14 41 1 0 16 42 1 0 17 43 1 0 18 44 1 0 19 45 1 0 23 46 1 0 M END