HMDB0001991 RDKit 3D 7-Methylxanthine 18 19 0 0 0 0 0 0 0 0999 V2000 1.6606 -0.7646 1.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0569 0.2430 0.9649 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3290 1.5544 0.8866 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5313 2.1069 -0.0353 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2693 1.1579 -0.5668 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2359 1.1424 -1.5045 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9021 0.0295 -1.8621 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8026 0.0759 -2.7515 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5788 -1.1216 -1.2456 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6171 -1.1522 -0.3006 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2951 -2.2276 0.2948 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0746 -0.0140 0.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 -0.2553 2.4996 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 -1.2740 2.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2097 -1.5306 1.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0929 2.0267 1.5071 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4865 2.0207 -1.9786 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0626 -2.0175 -1.4823 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 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 2 1 0 12 5 2 0 1 13 1 0 1 14 1 0 1 15 1 0 3 16 1 0 6 17 1 0 9 18 1 0 M END