HMDB0028932 RDKit 3D Leucyl-Isoleucine 41 40 0 0 0 0 0 0 0 0999 V2000 -4.4067 -0.3411 1.5976 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2986 -0.8693 0.7112 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9409 0.2103 -0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4669 1.4711 0.4002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9363 -0.2724 -1.3034 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7029 -0.6959 -0.7148 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5233 -0.0666 -1.0482 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4964 0.8769 -1.8780 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8228 -0.5077 -0.4326 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5335 -1.5856 0.4586 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4224 0.6977 0.2294 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7311 0.4292 0.8966 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2127 1.7299 1.5174 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7693 -0.1491 -0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5744 -1.3624 -2.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9895 -2.4722 -2.1681 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7793 -1.1554 -2.7565 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3949 -0.9432 2.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3793 -0.5152 1.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2519 0.7235 1.8642 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7018 -1.7413 0.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3823 -1.0963 1.2975 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8605 0.4874 -0.8571 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9985 1.2129 1.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6829 1.9883 -0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3387 2.1344 0.5999 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7598 0.5687 -2.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6802 -1.4774 -0.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4559 -0.8632 -1.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3729 -1.3059 1.4377 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1821 -2.4025 0.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5028 1.5046 -0.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7110 1.0505 1.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5592 -0.2981 1.7421 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9278 1.4874 2.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3799 2.3536 1.8902 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7506 2.2959 0.7398 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2440 -1.0745 0.4306 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4119 -0.3339 -1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6111 0.5793 -0.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0945 -0.2724 -3.1120 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 3 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 5 15 1 0 15 16 2 0 15 17 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 2 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 4 26 1 0 5 27 1 0 6 28 1 0 9 29 1 0 10 30 1 0 10 31 1 0 11 32 1 0 11 33 1 0 12 34 1 0 13 35 1 0 13 36 1 0 13 37 1 0 14 38 1 0 14 39 1 0 14 40 1 0 17 41 1 0 M END