HMDB0248092 RDKit 3D Ala-Ala-Ala 33 32 0 0 0 0 0 0 0 0999 V2000 3.9209 -0.0394 -2.6493 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7175 -0.6848 -1.2775 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4885 -2.0827 -1.4587 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6739 0.0054 -0.5181 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7940 1.2341 -0.3122 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5143 -0.6508 0.0065 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5108 0.0497 0.7449 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4356 -0.5556 2.1457 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8171 0.0208 0.0834 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9428 -0.5840 -1.0115 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9454 0.6546 0.6502 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2516 0.6440 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2990 0.0237 0.9291 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7071 2.0440 -0.2454 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9565 2.9870 0.0714 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9167 2.3176 -0.8316 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1405 1.0573 -2.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7926 -0.5030 -3.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0160 -0.1818 -3.2556 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7094 -0.5540 -0.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1734 -2.6718 -0.9349 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5693 -2.3860 -2.4682 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4471 -1.6809 -0.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8221 1.1277 0.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6397 -0.5381 2.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0439 0.0866 2.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7535 -1.5997 2.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8760 1.1707 1.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1762 0.0731 -0.9139 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3055 0.2849 0.5935 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1823 -1.0760 0.8362 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1188 0.2738 1.9992 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3886 1.7338 -1.4886 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 2 0 4 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 2 0 14 16 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 6 23 1 0 7 24 1 0 8 25 1 0 8 26 1 0 8 27 1 0 11 28 1 0 12 29 1 0 13 30 1 0 13 31 1 0 13 32 1 0 16 33 1 0 M END