1,7-Dimethylxanthine http://gmd-dev.mpimp-golm.mpg.de/search.aspx?query=933399f0-e066-4da0-8799-a5f2b2594a81 21 22 0 0 0 0 0 0 0999 V2000 3.7321 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 0.6147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -0.9947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 1.5653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7479 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4443 1.3726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0476 2.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 1.7579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 10 2 0 0 0 0 3 7 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 13 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 14 1 0 0 0 0 6 8 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 M END