HMDB0028940 RDKit 3D Leucyl-Tryptophan 46 47 0 0 0 0 0 0 0 0999 V2000 -3.4524 2.0297 -0.4084 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9186 0.6351 -0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4204 0.5090 -0.2601 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1734 -0.3345 0.3142 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7198 -0.5124 0.0743 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3605 -0.8721 -1.2411 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7570 0.3234 0.7715 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8851 1.6788 1.0685 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3814 -0.2227 1.1828 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7179 -1.5826 0.9797 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2196 -1.8325 0.8707 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8510 -1.1142 -0.2332 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1676 -1.5868 -1.4895 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7032 -0.5832 -2.1999 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 0.5394 -1.4643 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2153 1.8285 -1.7194 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1704 2.8354 -0.7821 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6434 2.5203 0.4504 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1841 1.2315 0.7065 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2237 0.2134 -0.2286 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2655 -2.3972 2.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3122 -1.8465 3.0786 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4795 -3.7569 2.1370 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1646 2.7439 -0.9478 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4966 2.1626 -0.9326 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3618 2.3975 0.6231 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8007 0.2883 -1.5794 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9152 1.2007 -0.9644 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6020 0.8671 0.7672 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7118 -0.5384 -0.4331 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3899 -0.1795 1.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6518 -1.3546 0.1011 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5179 -1.5796 0.6296 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6449 -1.7747 -1.5951 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0335 -0.1632 -1.8703 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3505 2.0314 1.8847 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3055 -2.0075 0.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3419 -2.9151 0.7147 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6441 -1.5455 1.8441 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9909 -2.6068 -1.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0504 -0.6150 -3.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6304 2.0613 -2.7032 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5367 3.8296 -1.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5988 3.2981 1.2034 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7775 0.9871 1.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7858 -4.2906 2.9241 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 1 0 7 9 2 3 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 10 21 1 0 21 22 2 0 21 23 1 0 20 12 1 0 20 15 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 3 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 6 34 1 0 6 35 1 0 8 36 1 0 10 37 1 0 11 38 1 0 11 39 1 0 13 40 1 0 14 41 1 0 16 42 1 0 17 43 1 0 18 44 1 0 19 45 1 0 23 46 1 0 M END