HMDB0029072 RDKit 3D Threonyltryptophan 41 42 0 0 0 0 0 0 0 0999 V2000 -5.3827 2.1987 -1.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8913 1.9566 -1.5824 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2812 2.7773 -0.6488 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5805 0.5014 -1.2808 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0657 0.1609 0.0338 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1355 0.2302 -1.4335 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5857 0.4808 -2.5284 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3848 -0.3021 -0.3666 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0628 -0.5840 -0.4907 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7657 0.3934 0.3771 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2145 0.3281 0.4656 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1045 1.0817 -0.3028 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3272 0.6955 0.0727 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2829 -0.2574 1.0334 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2393 -0.9486 1.7351 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9114 -1.8751 2.6897 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5871 -2.1404 2.9737 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6371 -1.4463 2.2681 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9434 -0.5012 1.2937 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3127 -1.9941 -0.2916 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6135 -2.7903 0.0467 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5718 -2.5349 -0.4661 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7690 2.1616 -0.5457 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5293 3.2502 -1.9526 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9068 1.4773 -2.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5093 2.2396 -2.5758 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5604 2.5954 0.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1106 -0.1266 -2.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2364 -0.8498 0.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5519 0.6176 0.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8536 -0.5045 0.5343 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3035 -0.2752 -1.5607 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 0.3255 1.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5061 1.4540 0.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8756 1.8289 -1.0528 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2454 1.0658 -0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2743 -0.7531 1.5258 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6712 -2.4212 3.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3654 -2.8766 3.7327 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6006 -1.6440 2.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8178 -2.9950 -1.3217 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 4 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 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 9 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 6 3 27 1 0 4 28 1 6 5 29 1 0 5 30 1 0 8 31 1 0 9 32 1 6 10 33 1 0 10 34 1 0 12 35 1 0 13 36 1 0 15 37 1 0 16 38 1 0 17 39 1 0 18 40 1 0 22 41 1 0 M END