HMDB0001195 RDKit 3D Dyspropterin 28 29 0 0 0 0 0 0 0 0999 V2000 -4.7734 0.0653 -0.0699 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4718 -0.1727 0.6011 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4162 0.0090 1.8419 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3332 -0.5995 -0.1925 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4541 -0.7645 -1.4308 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0454 -0.8288 0.5042 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7016 0.3927 1.3046 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7243 0.6046 1.4611 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6019 0.3658 0.3692 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7723 1.0094 0.2017 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5884 0.7714 -0.8347 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8148 1.4555 -0.9971 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2357 -0.1425 -1.7481 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0698 -0.8327 -1.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7231 -1.6953 -2.4970 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2317 -0.5744 -0.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0005 -1.2499 -0.3853 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6319 -0.2657 0.5647 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8656 -0.5082 -1.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9415 1.1350 -0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2258 -1.6895 1.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1519 1.3108 0.8723 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1485 0.2547 2.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1617 0.9358 2.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7546 1.0365 -0.8509 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7813 2.4551 -1.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8443 -0.3631 -2.5787 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1434 -2.1147 -0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 6 1 0 16 9 2 0 1 18 1 0 1 19 1 0 1 20 1 0 6 21 1 0 7 22 1 0 7 23 1 0 8 24 1 0 12 25 1 0 12 26 1 0 13 27 1 0 17 28 1 0 M END