HMDB0013243 RDKit 3D Leucylphenylalanine 42 42 0 0 0 0 0 0 0 0999 V2000 3.9587 -2.6265 -1.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3177 -1.3615 -1.2322 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1636 -0.3261 -2.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -1.6357 -0.6423 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3954 -0.2809 -0.2123 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2598 0.2975 0.7570 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0196 -0.4230 0.3737 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8554 -0.9257 -0.3706 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2293 -0.0096 1.6694 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4878 -0.1089 2.3262 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2222 1.1786 2.1288 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4573 1.4971 0.7067 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4898 2.2361 0.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6042 2.5894 -1.2993 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7048 2.2168 -2.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6778 1.4838 -1.3536 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5678 1.1226 -0.0147 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3197 -1.2780 2.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1027 -2.2385 1.2912 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5703 -1.3063 2.6890 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5045 -3.4769 -1.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0382 -2.6060 -1.4779 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7901 -2.8100 -2.7904 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9690 -0.9223 -0.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9998 -0.4090 -3.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2312 0.6824 -1.8328 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1930 -0.4011 -2.8529 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0078 -2.2886 0.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2554 -2.0383 -1.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3480 0.3415 -1.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0962 1.2800 0.9772 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5661 -0.3161 1.5109 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6087 0.4151 2.1986 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2920 -0.2119 3.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1714 1.2450 2.6977 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5825 2.0156 2.5465 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6022 2.5499 0.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8097 3.1669 -1.7679 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8397 2.4723 -3.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5648 1.1661 -1.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3354 0.5528 0.4797 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1621 -0.5087 2.5979 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 5 6 1 0 5 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 10 18 1 0 18 19 2 0 18 20 1 0 17 12 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 6 6 31 1 0 6 32 1 0 9 33 1 0 10 34 1 1 11 35 1 0 11 36 1 0 13 37 1 0 14 38 1 0 15 39 1 0 16 40 1 0 17 41 1 0 20 42 1 0 M END