HMDB0256560 RDKit 3D Pindone 31 32 0 0 0 0 0 0 0 0999 V2000 -3.1268 -0.5532 0.9529 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2193 0.1637 -0.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0508 0.4779 -1.2819 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7974 1.4398 0.6292 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0588 -0.6950 -0.3856 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9628 -1.7755 0.1964 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0067 -0.3705 -1.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 0.8607 -1.0554 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4872 2.0474 -1.3495 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9742 0.4167 -0.3281 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8880 1.0854 0.4536 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9657 0.4655 1.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1143 -0.8903 0.8379 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2408 -1.6189 0.0701 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1707 -0.9469 -0.5086 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0816 -1.4055 -1.3617 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0265 -2.4616 -2.0067 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8878 0.1755 1.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5389 -1.4722 0.4956 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4472 -0.8173 1.7966 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1419 0.4320 -1.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8008 -0.2865 -2.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8293 1.4764 -1.6841 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4889 1.6831 1.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9054 2.3013 -0.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7582 1.3447 0.9767 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4510 -0.2549 -2.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7277 2.1644 0.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6610 1.0331 1.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9817 -1.3422 1.3284 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3877 -2.6770 -0.0741 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 2 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 2 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 16 7 1 0 15 10 1 0 1 18 1 0 1 19 1 0 1 20 1 0 3 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 4 26 1 0 7 27 1 0 11 28 1 0 12 29 1 0 13 30 1 0 14 31 1 0 M END