HMDB0029093 RDKit 3D Tryptophyl-Threonine 41 42 0 0 0 0 0 0 0 0999 V2000 -4.7048 -1.3597 -1.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3895 -1.2856 0.3738 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6891 -2.4013 0.7745 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5973 -0.0341 0.7115 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3047 -0.0491 0.0318 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0979 -0.1392 0.7609 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1456 -0.2075 2.0072 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1950 -0.1514 0.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0357 -0.0600 -1.3589 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0231 0.9859 0.5903 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3600 1.0917 -0.0433 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7519 2.0162 -0.9884 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0474 1.7861 -1.3174 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5195 0.7477 -0.6253 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7369 0.1052 -0.5724 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8815 -0.9699 0.2828 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8523 -1.4143 1.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6454 -0.7629 1.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4711 0.3084 0.1728 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2897 1.1980 0.2963 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7993 2.0431 -0.5033 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5458 1.4652 0.7960 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7780 -1.5243 -1.6783 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2764 -0.4693 -1.4283 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3517 -2.2502 -1.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3272 -1.2475 0.9612 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8094 -2.4994 0.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4156 -0.0902 1.8141 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3471 0.0111 -1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6737 -1.1434 0.2958 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 -0.3197 -1.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4668 0.8213 -1.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0941 0.8352 1.6952 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4252 1.9093 0.4599 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1814 2.8167 -1.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6117 2.3292 -2.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5513 0.4377 -1.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8373 -1.4911 0.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9612 -2.2562 1.7492 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8364 -1.0861 1.6151 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0706 2.3045 0.6499 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 4 28 1 0 5 29 1 0 8 30 1 0 9 31 1 0 9 32 1 0 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