HMDB0029096 RDKit 3D Tryptophyl-Valine 43 44 0 0 0 0 0 0 0 0999 V2000 -5.3138 0.1962 0.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8583 -0.1294 -0.3131 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6794 -0.0455 -1.8173 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9356 0.8309 0.4057 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5389 0.5676 0.1284 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9885 -0.6912 0.4594 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6199 -1.6305 0.9866 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4668 -0.9504 0.1669 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8506 -2.2813 0.5616 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2923 0.0991 0.9212 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7269 -0.0806 0.6902 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6603 -0.6282 1.5567 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8504 -0.5909 0.9250 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6883 -0.0380 -0.3062 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5716 0.2276 -1.3365 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1389 0.8044 -2.5008 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8080 1.1405 -2.6869 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9101 0.8818 -1.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3647 0.2963 -0.4911 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1464 0.6263 1.8626 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2152 0.2979 2.6227 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4557 0.8252 2.3309 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3961 1.2674 0.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9260 0.0357 -0.9283 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7003 -0.4250 0.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6294 -1.1548 -0.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7058 -0.4404 -2.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5258 -0.6381 -2.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7905 0.9911 -2.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1698 1.8862 0.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9161 1.2935 -0.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6747 -0.8414 -0.9211 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8723 -2.9541 -0.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1751 -2.7072 1.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9715 1.1073 0.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0921 -0.0551 2.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4835 -1.0222 2.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7811 -0.9226 1.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6260 -0.0423 -1.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8157 1.0167 -3.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4584 1.5899 -3.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8691 1.1409 -1.8025 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6370 1.1469 3.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 4 20 1 0 20 21 2 0 20 22 1 0 19 11 1 0 19 14 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 3 29 1 0 4 30 1 0 5 31 1 0 8 32 1 0 9 33 1 0 9 34 1 0 10 35 1 0 10 36 1 0 12 37 1 0 13 38 1 0 15 39 1 0 16 40 1 0 17 41 1 0 18 42 1 0 22 43 1 0 M END