HMDB0029090 RDKit 3D Tryptophyl-Phenylalanine 47 49 0 0 0 0 0 0 0 0999 V2000 1.3556 2.8919 -1.1785 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6976 1.4878 -0.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8644 1.5237 0.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3281 0.1707 0.4253 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0735 -0.4504 1.6265 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6439 -1.6624 1.6192 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2587 -1.8264 0.4333 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9893 -2.8888 -0.0826 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5225 -2.8014 -1.3487 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3361 -1.6691 -2.1049 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6219 -0.6122 -1.6193 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0746 -0.6871 -0.3353 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5208 0.8115 -0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6121 -0.3982 -0.0197 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7040 1.4803 -0.0935 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8412 0.7918 0.4819 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9279 0.7806 -0.5654 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1655 0.1087 -0.1223 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1916 0.7952 0.4917 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3366 0.1437 0.9014 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4897 -1.2113 0.7096 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4639 -1.9300 0.0893 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3250 -1.2469 -0.3114 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2058 1.4722 1.7276 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5987 2.4741 2.1490 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2726 0.9803 2.4705 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2657 3.3356 -1.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7197 2.9788 -2.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9374 0.9560 -1.8504 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6867 2.1509 -0.3424 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4880 2.0669 0.9648 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5005 -0.0324 2.4577 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6406 -2.3973 2.3837 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1247 -3.7848 0.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0905 -3.6237 -1.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7429 -1.5640 -3.1107 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4447 0.3060 -2.1751 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7883 2.5039 -0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5517 -0.2654 0.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5134 0.2392 -1.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1559 1.8180 -0.9208 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1333 1.8769 0.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1472 0.6697 1.3837 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3897 -1.7147 1.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5784 -2.9811 -0.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5535 -1.8617 -0.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2063 0.7952 3.4629 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 22 23 2 0 16 24 1 0 24 25 2 0 24 26 1 0 12 4 1 0 23 18 1 0 12 7 1 0 1 27 1 0 1 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 5 32 1 0 6 33 1 0 8 34 1 0 9 35 1 0 10 36 1 0 11 37 1 0 15 38 1 0 16 39 1 0 17 40 1 0 17 41 1 0 19 42 1 0 20 43 1 0 21 44 1 0 22 45 1 0 23 46 1 0 26 47 1 0 M END