HMDB0000817 RDKit 3D Orinapterin 28 29 0 0 0 0 0 0 0 0999 V2000 2.5295 1.3066 -0.3863 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9436 0.1496 0.5109 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3305 0.0374 0.4927 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3160 -1.1140 -0.0339 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7300 -2.1649 0.7862 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8421 -0.9911 -0.0282 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -2.0897 -0.1453 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3304 -1.9146 -0.1336 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8561 -0.6710 -0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1861 -0.4608 0.0070 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7191 0.7768 0.1317 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1484 0.9308 0.1407 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8813 1.8055 0.2416 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5552 1.6909 0.2362 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7860 2.6715 0.3407 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0232 0.4195 0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3028 0.2269 0.0945 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8776 2.0108 0.1435 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0678 0.9389 -1.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4322 1.8794 -0.7029 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6003 0.3016 1.5419 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6882 0.9514 0.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7068 -1.2618 -1.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7777 -3.0244 0.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4627 -3.0671 -0.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8334 -1.2939 -0.0818 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7275 0.2323 -0.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5650 1.7235 0.6532 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 4 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 2 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 2 0 17 6 1 0 16 9 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 1 3 22 1 0 4 23 1 6 5 24 1 0 7 25 1 0 10 26 1 0 12 27 1 0 12 28 1 0 M END