KEGG:C09602 Xanthinin ISISHOST03240423232D 1 1.00000 0.00000 8644 24 25 0 1 0 999 V2000 6.4182 -12.4066 0.0000 C 0 0 2 0 0 0 0 0 0 6.0699 -13.1583 0.0000 C 0 0 2 0 0 0 0 0 0 6.0561 -11.6617 0.0000 C 0 0 0 0 0 0 0 0 0 7.2424 -12.5066 0.0000 O 0 0 0 0 0 0 0 0 0 5.2561 -13.3514 0.0000 C 0 0 0 0 0 0 0 0 0 6.6768 -13.7238 0.0000 C 0 0 0 0 0 0 0 0 0 5.2458 -11.4859 0.0000 C 0 0 1 0 0 0 0 0 0 7.4010 -13.3204 0.0000 C 0 0 0 0 0 0 0 0 0 4.6010 -12.8342 0.0000 C 0 0 0 0 0 0 0 0 0 6.5768 -14.5445 0.0000 C 0 0 0 0 0 0 0 0 0 4.5975 -12.0066 0.0000 C 0 0 0 0 0 0 0 0 0 4.9341 -10.6792 0.0000 C 0 0 0 0 0 0 0 0 0 8.1492 -13.6686 0.0000 O 0 0 0 0 0 0 0 0 0 3.8872 -11.5962 0.0000 C 0 0 3 0 0 0 0 0 0 3.1699 -12.0066 0.0000 C 0 0 0 0 0 0 0 0 0 3.8872 -10.7686 0.0000 O 0 0 0 0 0 0 0 0 0 3.1699 -12.8307 0.0000 C 0 0 0 0 0 0 0 0 0 3.1768 -10.3583 0.0000 C 0 0 0 0 0 0 0 0 0 2.4561 -13.2445 0.0000 C 0 0 0 0 0 0 0 0 0 3.8872 -13.2445 0.0000 O 0 0 0 0 0 0 0 0 0 2.4630 -10.7686 0.0000 C 0 0 0 0 0 0 0 0 0 3.1768 -9.5307 0.0000 O 0 0 0 0 0 0 0 0 0 6.8251 -11.6893 0.0000 H 0 0 0 0 0 0 0 0 0 5.6492 -13.8686 0.0000 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 4 8 1 0 0 0 5 9 1 0 0 0 6 10 2 0 0 0 7 11 1 0 0 0 7 12 1 1 0 0 8 13 2 0 0 0 11 14 1 0 0 0 14 15 1 0 0 0 14 16 1 4 0 0 15 17 1 0 0 0 16 18 1 0 0 0 17 19 1 0 0 0 17 20 2 0 0 0 18 21 1 0 0 0 18 22 2 0 0 0 6 8 1 0 0 0 9 11 2 0 0 0 1 23 1 1 0 0 2 24 1 6 0 0 M END