HMDB0028995 RDKit 3D Phenylalanylglycine 30 30 0 0 0 0 0 0 0 0999 V2000 -0.2753 -2.4242 -0.2802 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 -1.1285 -0.5242 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3541 -0.0228 0.2777 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8015 0.2340 0.1361 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5982 -0.2295 -0.8492 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9446 0.1246 -0.9888 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4627 1.0041 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6547 1.4934 0.9737 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3527 1.0997 1.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6771 -1.0395 -0.4236 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3672 -1.5855 -1.3444 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3415 -0.3519 0.6692 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7650 -0.3370 0.6283 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3090 0.9863 0.2449 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4492 1.2732 0.6597 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5926 1.8914 -0.5191 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2827 -2.6940 0.7064 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0338 -3.1693 -0.9574 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0539 -0.9205 -1.6455 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2304 0.9088 0.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2030 -0.3099 1.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1177 -0.9019 -1.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5885 -0.2654 -1.7272 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4737 1.3417 -0.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0736 2.1742 1.7147 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7416 1.5106 1.8699 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7808 0.1113 1.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2204 -0.5586 1.6629 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1957 -1.1037 -0.0287 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8751 2.8893 -0.4147 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 2 0 14 16 1 0 9 4 1 0 1 17 1 0 1 18 1 0 2 19 1 6 3 20 1 0 3 21 1 0 5 22 1 0 6 23 1 0 7 24 1 0 8 25 1 0 9 26 1 0 12 27 1 0 13 28 1 0 13 29 1 0 16 30 1 0 M END