HMDB0029094 RDKit 3D Tryptophyl-Tryptophan 51 54 0 0 0 0 0 0 0 0999 V2000 -2.9344 -1.2870 3.1227 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5034 -0.1093 2.3741 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6343 0.3403 1.5157 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1475 -0.6383 0.5534 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3082 -1.3949 0.7888 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5009 -2.2024 -0.2595 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5324 -2.0174 -1.1682 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3539 -2.6333 -2.3849 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2705 -2.2550 -3.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4042 -1.2735 -2.6555 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6005 -0.6673 -1.4318 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6769 -1.0418 -0.6754 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2184 -0.3390 1.7045 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7732 -1.5260 1.6177 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4390 0.7002 1.1496 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8367 0.3709 0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9193 0.8504 1.4195 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2896 0.6484 0.9647 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 -0.4440 1.2832 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3028 -0.2991 0.6648 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3126 0.8372 -0.0568 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2869 1.4450 -0.8585 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0648 2.6436 -1.4974 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8230 3.2337 -1.3138 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8680 2.6355 -0.5272 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0794 1.4235 0.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9472 0.9336 -0.8294 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1382 1.7911 -1.2364 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9557 0.5238 -1.6923 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2492 -1.5213 3.8719 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1477 -2.0927 2.4953 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3472 0.6764 3.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2889 1.2519 0.9515 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4793 0.7404 2.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9218 -1.3148 1.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3041 -2.8859 -0.3486 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0125 -3.3941 -2.7792 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1224 -2.7292 -4.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5565 -1.0071 -3.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9539 0.0801 -1.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7155 1.6914 1.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9402 -0.7523 0.4748 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7688 0.2831 2.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8172 1.9291 1.6824 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8012 -1.2399 1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0968 -0.9756 0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2479 0.9539 -0.9783 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8033 3.1284 -2.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6185 4.1849 -1.8094 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8787 3.0866 -0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4777 -0.3421 -1.5420 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 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 16 27 1 0 27 28 2 0 27 29 1 0 12 4 1 0 26 18 1 0 12 7 1 0 26 21 1 0 1 30 1 0 1 31 1 0 2 32 1 0 3 33 1 0 3 34 1 0 5 35 1 0 6 36 1 0 8 37 1 0 9 38 1 0 10 39 1 0 11 40 1 0 15 41 1 0 16 42 1 0 17 43 1 0 17 44 1 0 19 45 1 0 20 46 1 0 22 47 1 0 23 48 1 0 24 49 1 0 25 50 1 0 29 51 1 0 M END