HMDB0304782 RDKit 3D Histidinyl-Tryptophan 44 46 0 0 0 0 0 0 0 0999 V2000 2.6740 1.5333 0.1252 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7479 0.5069 1.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0386 -0.2604 1.0648 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2491 -0.9413 -0.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8771 -0.4295 -1.3503 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8380 -1.3798 -2.2939 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2074 -2.4593 -1.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8466 -2.1819 -0.5414 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5604 -0.3906 1.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4893 -1.4527 1.9787 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6034 -0.2443 0.2198 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 -1.1957 0.2658 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4504 -1.0041 -0.8616 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0826 0.3275 -0.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 1.3879 -1.7787 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4336 2.4546 -1.5912 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3972 2.1676 -0.6741 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4369 2.9170 -0.1542 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3087 2.3964 0.7739 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1004 1.0924 1.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0554 0.3454 0.6384 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1659 0.8534 -0.2969 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1373 -1.2355 1.5875 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8363 -0.3073 2.4028 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0292 -2.2088 2.0035 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5319 1.0587 -0.8007 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6281 2.0010 0.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7245 1.0174 2.1129 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0527 -1.0447 1.8447 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8602 0.4510 1.2196 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3225 0.5380 -1.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0046 -3.4027 -2.3094 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3391 -2.8453 0.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5162 -2.3771 1.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0156 -2.2126 0.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9745 -1.2486 -1.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2354 -1.8105 -0.7562 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7919 1.2690 -2.4302 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3441 3.3780 -2.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5782 3.9316 -0.4758 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1307 2.9721 1.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7861 0.6796 1.8952 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8953 -0.6812 0.9298 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7764 -1.9650 2.6708 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 2 0 7 8 1 0 2 9 1 0 9 10 1 0 9 11 2 3 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 12 23 1 0 23 24 2 0 23 25 1 0 8 4 1 0 22 14 1 0 22 17 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 7 32 1 0 8 33 1 0 10 34 1 0 12 35 1 0 13 36 1 0 13 37 1 0 15 38 1 0 16 39 1 0 18 40 1 0 19 41 1 0 20 42 1 0 21 43 1 0 25 44 1 0 M END