HMDB0029006 RDKit 3D Phenylalanyltryptophan 47 49 0 0 0 0 0 0 0 0999 V2000 2.4880 2.5983 1.6672 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9260 1.6740 0.6233 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7161 0.5643 1.2775 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1728 -0.3822 0.2639 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4484 -1.5117 -0.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8749 -2.3995 -0.9863 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0446 -2.1417 -1.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8150 -1.0176 -1.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3444 -0.1498 -0.4157 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7456 1.0857 -0.0456 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8326 0.3812 -1.0798 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4739 1.3364 0.5154 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7005 0.7646 -0.1291 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2065 -0.2798 0.8192 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4225 -0.9330 0.3202 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5098 -2.1045 -0.4448 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7986 -2.3519 -0.7273 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5541 -1.3937 -0.1793 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9365 -1.1829 -0.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4348 -0.1018 0.5189 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6228 0.7951 1.1776 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2681 0.5955 1.1564 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7342 -0.4962 0.4788 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6236 1.7641 -0.6091 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3974 2.9869 -0.3156 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7472 1.5308 -1.3743 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8206 3.3045 1.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 3.0657 2.0959 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5288 2.2621 -0.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6036 1.0027 1.7924 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1147 0.0498 2.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5081 -1.7642 0.4706 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3121 -3.2717 -1.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3896 -2.8379 -2.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7361 -0.8168 -1.9079 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9352 0.7323 -0.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3418 1.9023 1.3555 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3552 0.1838 -1.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3679 -1.0122 0.9645 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3752 0.1826 1.8243 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6320 -2.6693 -0.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1814 -3.1476 -1.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5492 -1.9030 -0.6794 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5104 0.0480 0.5293 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0297 1.6508 1.7102 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5606 1.2518 1.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9714 2.1554 -2.1162 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 8 9 2 0 2 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 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 13 24 1 0 24 25 2 0 24 26 1 0 9 4 1 0 23 15 1 0 23 18 1 0 1 27 1 0 1 28 1 0 2 29 1 6 3 30 1 0 3 31 1 0 5 32 1 0 6 33 1 0 7 34 1 0 8 35 1 0 9 36 1 0 12 37 1 0 13 38 1 6 14 39 1 0 14 40 1 0 16 41 1 0 17 42 1 0 19 43 1 0 20 44 1 0 21 45 1 0 22 46 1 0 26 47 1 0 M END