HMDB0304786 RDKit 3D Lysyl-Phenylalanine 44 44 0 0 0 0 0 0 0 0999 V2000 4.3952 2.3839 0.2099 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2412 1.2333 0.0843 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3200 -0.0019 0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3494 0.1292 -0.9271 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3463 -0.9461 -1.0794 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4575 -1.0969 0.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1419 -1.4252 1.3402 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5148 -2.2065 -0.1763 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0756 -3.4510 -0.4354 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7467 -2.0989 -0.2124 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4892 -0.8845 0.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8641 -1.1003 -0.5567 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7681 0.0247 -0.4091 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5768 0.1299 0.6913 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4506 1.1966 0.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4666 2.1483 -0.1411 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6721 2.0789 -1.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8243 0.9984 -1.3705 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5078 -0.5897 1.4708 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9174 -1.3746 2.2909 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1290 0.5000 2.0393 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7033 3.0062 0.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4283 2.9132 -0.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6897 1.1573 -0.9394 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9958 1.2292 0.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8959 -0.9373 0.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8425 0.1182 1.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9096 0.1907 -1.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8181 1.1052 -0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6632 -0.6314 -1.9218 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7992 -1.9165 -1.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9024 -0.1308 0.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0054 -2.4125 1.6492 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8169 -0.8214 2.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9146 -3.9594 -1.3128 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0411 -0.0160 -0.5149 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7003 -1.3957 -1.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3333 -1.9936 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5845 -0.6082 1.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0933 1.2663 1.7464 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1369 2.9925 -0.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6848 2.8278 -2.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1809 0.9239 -2.2559 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0588 1.4446 1.7540 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 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 8 10 2 3 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 11 19 1 0 19 20 2 0 19 21 1 0 18 13 1 0 1 22 1 0 1 23 1 0 2 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 7 33 1 0 7 34 1 0 9 35 1 0 11 36 1 0 12 37 1 0 12 38 1 0 14 39 1 0 15 40 1 0 16 41 1 0 17 42 1 0 18 43 1 0 21 44 1 0 M END