HMDB0029000 RDKit 3D Phenylalanyllysine 44 44 0 0 0 0 0 0 0 0999 V2000 5.2881 1.5581 0.8227 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9102 0.6202 1.8603 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9637 -0.7869 1.3339 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0074 -0.8946 0.1505 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5840 -0.5986 0.5083 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7221 -0.6736 -0.6985 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3265 -0.3843 -0.3922 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 0.7478 -0.8396 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1324 1.6441 -1.5657 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8044 0.9371 -0.4647 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3611 2.1535 -0.9854 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6264 -0.2088 -1.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0363 0.0289 -0.6444 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4677 -0.5314 0.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7737 -0.3177 0.9294 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5969 0.4487 0.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1451 1.0048 -1.0708 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8360 0.7879 -1.4568 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7719 -1.9669 -1.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6975 -2.6574 -1.4432 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9278 -2.4874 -1.8806 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4428 2.5048 1.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0447 1.1863 0.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6944 0.6553 2.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9486 0.9123 2.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9850 -1.0186 0.9789 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6754 -1.5397 2.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1041 -1.9984 -0.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3534 -0.3233 -0.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5598 0.4141 0.9874 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3065 -1.3367 1.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 0.1841 -1.3633 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1400 -1.0869 0.1996 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9678 0.9181 0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6522 2.8720 -1.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1512 2.5182 -0.4259 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3276 -1.1882 -0.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5037 -0.1815 -2.1532 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8371 -1.1372 1.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1619 -0.7355 1.8502 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6201 0.6277 0.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7864 1.6054 -1.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4268 1.1961 -2.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1181 -3.4722 -1.7915 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 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 10 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 6 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 6 7 33 1 0 10 34 1 1 11 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