HMDB0029089 RDKit 3D Tryptophyl-Methionine 44 45 0 0 0 0 0 0 0 0999 V2000 -6.1659 -1.8647 -1.6257 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6151 -0.4339 -2.5640 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.7763 0.7972 -1.5082 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4879 0.2583 -0.9661 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7849 1.3016 -0.1452 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5223 0.7720 0.3636 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3345 1.4216 -0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3330 2.4381 -0.7576 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0152 0.9632 0.4593 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0783 1.7753 -0.0277 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1882 -0.5136 0.2451 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5184 -0.9939 0.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7946 -1.6481 1.9036 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0977 -1.9074 1.9609 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7339 -1.4715 0.8652 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0543 -1.5180 0.4848 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4255 -0.9819 -0.7254 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4635 -0.4124 -1.5254 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1384 -0.3746 -1.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7412 -0.8955 0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6248 1.7182 0.9934 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1637 1.4472 2.1673 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8333 2.3627 0.9412 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9868 -1.6416 -0.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2484 -2.0124 -1.8421 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5583 -2.7368 -1.9692 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5512 1.6692 -2.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4510 1.0396 -0.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8239 -0.0907 -1.8143 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6847 -0.6723 -0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6250 2.1843 -0.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5120 -0.0499 0.9723 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9757 1.1180 1.5803 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9609 2.1240 -1.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3206 2.5221 0.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4058 -1.0423 0.8124 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0248 -0.7571 -0.8274 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0438 -1.8779 2.6264 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5541 -2.3949 2.7738 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8129 -1.9625 1.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4801 -1.0056 -1.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7399 0.0103 -2.4732 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3726 0.0737 -1.7673 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8576 3.2624 0.4552 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 4 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 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 6 32 1 0 9 33 1 0 10 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 19 43 1 0 23 44 1 0 M END