HMDB0028896 RDKit 3D Histidyltryptophan 44 46 0 0 0 0 0 0 0 0999 V2000 -3.1198 -1.2499 0.5054 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0615 -0.4396 -0.6820 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9165 0.7875 -0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3210 0.4458 -0.1614 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8908 -0.7895 -0.1324 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1935 -0.6120 0.1597 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4327 0.6913 0.3091 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2880 1.3694 0.1151 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6964 -0.0930 -1.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5236 0.6014 -2.1269 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5791 -0.5277 -0.3704 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8016 -0.1813 -0.7893 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3667 0.5850 0.3517 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7339 1.0626 0.2547 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0938 2.3438 -0.1773 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4389 2.4645 -0.1801 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9871 1.3163 0.2329 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3122 0.9410 0.4145 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5614 -0.3293 0.8756 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5409 -1.2026 1.1493 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2476 -0.8137 0.9633 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9312 0.4389 0.5055 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4618 -1.4386 -1.1416 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8851 -2.5589 -0.9653 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7331 -1.5179 -1.6861 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1625 -2.2639 0.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7781 -0.8924 1.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5139 -1.0504 -1.4988 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4643 1.4033 0.3626 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8788 1.3988 -1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4100 -1.7349 -0.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8894 -1.3833 0.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3953 1.1447 0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7332 -1.1051 0.4828 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7371 0.4365 -1.7277 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6317 1.4295 0.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -0.0734 1.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3633 3.0912 -0.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9777 3.3256 -0.4623 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1200 1.6109 0.2057 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5701 -0.6639 1.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7400 -2.2089 1.5154 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4263 -1.5098 1.1815 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3828 -2.2476 -1.5038 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 2 9 1 0 9 10 2 0 9 11 1 0 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 6 3 29 1 0 3 30 1 0 5 31 1 0 6 32 1 0 7 33 1 0 11 34 1 0 12 35 1 6 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