HMDB0000481 RDKit 3D Allopurinol riboside 31 33 0 0 0 0 0 0 0 0999 V2000 5.3862 -1.3135 -0.6162 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4288 -0.7176 -0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6804 0.1917 0.8721 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6962 0.8756 1.4968 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4304 0.6153 1.1317 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0926 -0.2856 0.1818 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1285 -0.9732 -0.4427 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5068 -1.8110 -1.3498 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1838 -1.5928 -1.2289 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9090 -0.6918 -0.3266 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3698 -0.1643 0.1149 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4189 -1.0604 -0.1696 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5248 -0.2395 0.0575 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8178 -0.9219 -0.3081 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9376 -2.0623 0.4688 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2112 0.9371 -0.8350 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9326 2.0668 -0.4562 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7268 1.1250 -0.5587 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6063 2.2120 0.3112 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8594 1.6135 2.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6348 1.1327 1.6002 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0501 -2.4811 -1.9946 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4038 0.0060 1.2109 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5032 0.1029 1.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6394 -0.2337 0.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8824 -1.0927 -1.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4197 -1.9426 1.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4017 0.7295 -1.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3544 2.8216 -0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1599 1.2873 -1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6769 1.8671 1.2527 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 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 12 13 1 0 13 14 1 0 14 15 1 0 13 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 7 2 1 0 18 11 1 0 10 6 1 0 4 20 1 0 5 21 1 0 8 22 1 0 11 23 1 1 13 24 1 1 14 25 1 0 14 26 1 0 15 27 1 0 16 28 1 6 17 29 1 0 18 30 1 6 19 31 1 0 M END