HMDB0029068 RDKit 3D Threonylphenylalanine 37 37 0 0 0 0 0 0 0 0999 V2000 5.1811 -0.0642 1.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7096 -0.3427 1.1627 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9917 0.7797 1.5707 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2107 -0.7154 -0.2394 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4644 0.4268 -1.1017 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7694 -0.9945 -0.1095 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3835 -1.9427 0.5957 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8419 -0.1852 -0.7847 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5788 -0.4747 -0.6457 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1595 0.7209 0.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6140 0.6005 0.3192 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5424 1.0796 -0.5684 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9073 0.9508 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3089 0.3260 0.8283 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4041 -0.1684 1.7444 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0562 -0.0295 1.4867 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1836 -0.6914 -1.9621 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4699 -0.6008 -2.9925 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5195 -0.9954 -2.1291 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7125 -1.0384 1.0717 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3821 0.4629 0.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4711 0.6036 1.8841 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5065 -1.2054 1.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5498 1.5193 1.8686 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7506 -1.5828 -0.6396 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9982 1.2889 -0.7459 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1929 0.2245 -2.0841 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1729 0.6220 -1.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6984 -1.3422 0.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0056 1.6501 -0.5293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6052 0.8880 1.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2034 1.5732 -1.4776 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6188 1.3359 -1.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3698 0.2132 1.0376 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7522 -0.6546 2.6456 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3240 -0.4006 2.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9670 -1.8367 -1.8350 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 1 0 4 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 9 17 1 0 17 18 2 0 17 19 1 0 16 11 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 1 3 24 1 0 4 25 1 6 5 26 1 0 5 27 1 0 8 28 1 0 9 29 1 1 10 30 1 0 10 31 1 0 12 32 1 0 13 33 1 0 14 34 1 0 15 35 1 0 16 36 1 0 19 37 1 0 M END