HMDB0029085 RDKit 3D Tryptophyl-Histidine 44 46 0 0 0 0 0 0 0 0999 V2000 -0.1140 -3.4228 0.5703 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0405 -2.2826 0.7935 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0548 -2.3830 -0.2764 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1117 -1.3696 -0.3204 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3902 -1.4413 0.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0645 -0.3021 -0.0011 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2480 0.5160 -0.6895 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4640 1.7864 -1.1742 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4834 2.4562 -1.8804 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2604 1.8446 -2.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0846 0.5741 -1.6056 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0382 -0.1246 -0.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2334 -1.0675 0.7879 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7478 0.0462 1.1830 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1159 -1.0960 0.3531 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9621 0.1015 0.3345 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0845 -0.1220 1.2977 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0144 1.0270 1.3597 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1690 1.2462 0.6442 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7225 2.4216 0.9977 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9181 2.9633 1.9482 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8934 2.1184 2.1599 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5026 0.3050 -1.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1998 -0.5417 -1.9311 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3182 1.3534 -1.3778 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5559 -4.2763 0.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0023 -3.5272 -0.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5342 -2.4740 1.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5481 -2.3420 -1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5678 -3.3846 -0.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7485 -2.3191 0.7559 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0548 -0.0801 0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4037 2.3135 -1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6155 3.4482 -2.2735 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4521 2.3226 -2.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1151 0.0975 -1.7888 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5128 -2.0034 0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3861 0.9862 0.6825 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6516 -1.0583 1.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6362 -0.2778 2.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 0.5818 -0.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1149 3.9299 2.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1034 2.2512 2.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0364 1.2052 -2.0701 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 2 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 2 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 16 23 1 0 23 24 2 0 23 25 1 0 12 4 1 0 22 18 1 0 12 7 1 0 1 26 1 0 1 27 1 0 2 28 1 0 3 29 1 0 3 30 1 0 5 31 1 0 6 32 1 0 8 33 1 0 9 34 1 0 10 35 1 0 11 36 1 0 15 37 1 0 16 38 1 0 17 39 1 0 17 40 1 0 19 41 1 0 21 42 1 0 22 43 1 0 25 44 1 0 M END