HMDB0028955 RDKit 3D Lysylleucine 43 42 0 0 0 0 0 0 0 0999 V2000 -2.8474 2.0094 0.5555 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7098 0.9803 -0.5593 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5475 1.4936 -1.7111 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1407 -0.3742 -0.1304 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3590 -0.9599 1.0270 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9742 -1.1763 0.7802 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3505 -1.3817 -0.4589 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9732 -1.4167 -1.5690 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1254 -1.5749 -0.5269 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5145 -1.7634 -1.8891 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8481 -0.4002 0.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3281 -0.6898 0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1775 0.3864 0.6019 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9543 1.7340 -0.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8484 2.6709 0.6332 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0098 -2.1805 1.4868 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3244 -3.2512 1.6151 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3674 -2.2622 1.8053 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7728 1.8964 1.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8714 3.0022 0.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9304 2.0207 1.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6543 0.9830 -0.8633 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5977 1.6864 -1.3534 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6063 0.7904 -2.5473 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1541 2.4977 -1.9929 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1993 -0.2853 0.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1897 -1.1150 -0.9364 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4346 -0.1793 1.8543 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3247 -1.1843 1.6341 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3850 -2.4779 0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0571 -2.6359 -2.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8768 -0.9268 -2.3573 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5404 0.5361 -0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5456 -0.4030 1.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6356 -0.8891 -1.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5210 -1.6212 0.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0721 0.4507 1.6913 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2392 0.1187 0.4008 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2866 1.7250 -1.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9098 2.0606 -0.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4635 2.9524 1.5627 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7254 2.1368 0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7154 -2.9830 2.4279 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 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 13 14 1 0 14 15 1 0 5 16 1 0 16 17 2 0 16 18 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 3 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 5 28 1 1 6 29 1 0 9 30 1 1 10 31 1 0 10 32 1 0 11 33 1 0 11 34 1 0 12 35 1 0 12 36 1 0 13 37 1 0 13 38 1 0 14 39 1 0 14 40 1 0 15 41 1 0 15 42 1 0 18 43 1 0 M END