HMDB0304811 RDKit 3D Pro-Pro-Phe 51 53 0 0 0 0 0 0 0 0999 V2000 1.2511 2.3051 -0.2885 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9979 1.4761 -0.8565 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8375 1.9656 -1.8475 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9467 0.0550 -0.4519 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2559 -0.3768 0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4190 -0.2467 -0.6874 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7773 -1.2989 -1.4981 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8734 -1.2227 -2.3363 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6189 -0.0732 -2.3595 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2748 0.9946 -1.5522 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1629 0.8919 -0.7145 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9466 -0.0802 0.5842 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2914 0.1509 0.3407 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6397 0.5313 -0.9358 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3285 0.0169 1.3907 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6989 -0.4055 2.7162 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3879 -1.8610 2.4519 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4115 -2.2722 1.3812 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2202 -1.0964 1.1828 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5798 -1.0403 0.8696 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1965 -2.1530 0.7372 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3009 0.2470 0.6947 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8138 0.9585 -0.5488 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0879 1.5093 -1.1988 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1023 1.3061 -0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7265 -0.0132 0.4167 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5361 2.6543 -2.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7129 -0.6024 -1.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1299 -1.4541 0.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3393 0.1943 1.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1935 -2.2326 -1.4967 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0989 -2.1015 -2.9546 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4877 -0.0204 -3.0281 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8695 1.8818 -1.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9545 1.7558 -0.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1077 0.2261 -1.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8117 0.9783 1.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4984 -0.3589 3.4725 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1571 0.1969 3.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 -2.0437 2.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 -2.4893 3.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8651 -2.5797 0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9894 -3.1607 1.7029 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2123 0.8223 1.6136 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1388 1.7606 -0.2562 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3432 0.2017 -1.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3467 0.8387 -2.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9702 2.5584 -1.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1418 1.3440 -0.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8629 2.0212 0.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7957 -0.6594 -0.4173 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 4 12 1 0 12 13 2 3 13 14 1 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 11 6 1 0 19 15 1 0 26 22 1 0 3 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 7 31 1 0 8 32 1 0 9 33 1 0 10 34 1 0 11 35 1 0 14 36 1 0 15 37 1 0 16 38 1 0 16 39 1 0 17 40 1 0 17 41 1 0 18 42 1 0 18 43 1 0 22 44 1 0 23 45 1 0 23 46 1 0 24 47 1 0 24 48 1 0 25 49 1 0 25 50 1 0 26 51 1 0 M END