HMDB0001886 RDKit 3D 3-Methylxanthine 18 19 0 0 0 0 0 0 0 0999 V2000 -2.2514 -0.9636 -0.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1147 -0.0612 -0.0571 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2831 1.2669 -0.1983 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4208 1.7806 -0.3115 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2088 2.0826 -0.2208 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0348 1.5834 -0.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0501 2.3401 -0.1232 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2609 0.2203 0.0446 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3161 -0.5670 0.1805 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9183 -1.8598 0.2873 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5765 -1.8372 0.2118 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1219 -0.5812 0.0621 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9619 -1.8480 -0.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4053 -1.2435 1.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1733 -0.4969 -0.4133 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3678 3.1178 -0.3325 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3109 -0.2430 0.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5977 -2.6903 0.4069 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 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 2 1 0 12 8 2 0 1 13 1 0 1 14 1 0 1 15 1 0 5 16 1 0 9 17 1 0 10 18 1 0 M END