HMDB0028694 RDKit 3D Alanylphenylalanine 33 33 0 0 0 0 0 0 0 0999 V2000 4.4239 -1.2992 0.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8653 0.0546 -0.3572 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9622 0.9198 0.8293 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4631 -0.1097 -0.7646 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1825 -0.8089 -1.7559 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4354 0.5185 -0.0409 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0264 0.3913 -0.3990 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6873 -0.2141 0.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1212 -0.3970 0.5647 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0130 0.5653 0.9458 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3619 0.3857 0.7291 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8274 -0.7679 0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9179 -1.7240 -0.2512 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5845 -1.5495 -0.0386 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5652 1.6999 -0.7331 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1888 2.7278 -0.6297 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8605 1.8932 -1.1470 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5108 -1.3211 -0.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9584 -2.1317 -0.4965 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1826 -1.4825 1.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4827 0.4459 -1.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5773 1.8604 0.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9522 0.9689 1.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6958 1.0982 0.7851 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0902 -0.2536 -1.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2514 -1.2408 0.9656 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4995 0.3633 1.7145 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6605 1.4668 1.4224 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0718 1.1354 1.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8794 -0.9335 -0.0563 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2376 -2.6501 -0.7307 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8579 -2.3153 -0.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4201 2.7040 -0.9598 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 7 15 1 0 15 16 2 0 15 17 1 0 14 9 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 6 3 22 1 0 3 23 1 0 6 24 1 0 7 25 1 6 8 26 1 0 8 27 1 0 10 28 1 0 11 29 1 0 12 30 1 0 13 31 1 0 14 32 1 0 17 33 1 0 M END