HMDB0030320 RDKit 3D Mukonine 32 34 0 0 0 0 0 0 0 0999 V2000 4.9768 -1.4903 0.4972 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5890 -1.2377 0.3683 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0548 0.0250 0.3514 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8628 0.9913 0.4577 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6220 0.2912 0.2185 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1704 1.6072 0.2112 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1629 1.9192 0.0893 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5696 3.2419 0.0866 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2987 4.3319 0.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0679 0.8867 -0.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3962 0.8223 -0.1603 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8162 -0.4467 -0.2371 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0610 -1.0221 -0.3752 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2344 -2.3894 -0.4306 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1365 -3.2087 -0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8921 -2.6433 -0.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7153 -1.2709 -0.1523 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6263 -0.4359 -0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7106 -0.7179 0.1009 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2861 -1.5398 1.5788 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2132 -2.4942 0.0866 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5926 -0.6826 0.0574 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8743 2.4144 0.3026 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2131 5.2841 0.4017 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0724 4.1595 0.9819 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8258 4.4363 -0.7766 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9878 1.7004 -0.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9401 -0.4024 -0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1937 -2.8513 -0.5376 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2299 -4.2820 -0.3853 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9932 -3.2584 -0.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 -1.7379 0.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 7 10 2 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 17 18 1 0 18 19 2 0 19 5 1 0 18 10 1 0 17 12 1 0 1 20 1 0 1 21 1 0 1 22 1 0 6 23 1 0 9 24 1 0 9 25 1 0 9 26 1 0 11 27 1 0 13 28 1 0 14 29 1 0 15 30 1 0 16 31 1 0 19 32 1 0 M END