3-Methylxanthine, TMS, ID: R93707 NIST 24032814112D 1 1.00000 0.00000 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 20 21 0 0 0 1 V2000 2.7110 3.0298 0.0000 N 0 0 0 0 0 0 0 0 0 2.7110 2.0283 0.0000 C 0 0 0 0 0 0 0 0 0 3.5753 1.5326 0.0000 N 0 0 0 0 0 0 0 0 0 3.5753 3.5355 0.0000 C 0 0 0 0 0 0 0 0 0 4.4396 3.0298 0.0000 C 0 0 0 0 0 0 0 0 0 4.4396 2.0326 0.0000 C 0 0 0 0 0 0 0 0 0 5.3880 1.7244 0.0000 N 0 0 0 0 0 0 0 0 0 5.9742 2.5311 0.0000 C 0 0 0 0 0 0 0 0 0 5.3881 3.3378 0.0000 N 0 0 0 0 0 0 0 0 0 1.8410 3.5355 0.0000 C 0 0 0 0 0 0 0 0 0 5.8824 0.8599 0.0000 Si 0 0 0 0 0 0 0 0 0 3.5659 4.5370 0.0000 O 0 0 0 0 0 0 0 0 0 1.8410 1.5377 0.0000 O 0 0 0 0 0 0 0 0 0 0.9711 2.0384 0.0000 Si 0 0 0 0 0 0 0 0 0 0.4653 1.1735 0.0000 C 0 0 0 0 0 0 0 0 0 1.2291 3.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0.0000 2.3015 0.0000 C 0 0 0 0 0 0 0 0 0 5.0125 0.3693 0.0000 C 0 0 0 0 0 0 0 0 0 6.7473 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 6.3781 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 6 5 2 0 0 0 1 10 1 0 0 0 2 1 1 0 0 0 7 11 1 0 0 0 1 4 1 0 0 0 4 12 2 0 0 0 3 2 2 0 0 0 2 13 1 0 0 0 6 3 1 0 0 0 13 14 1 0 0 0 7 6 1 0 0 0 14 15 1 0 0 0 8 7 1 0 0 0 14 16 1 0 0 0 9 8 2 0 0 0 14 17 1 0 0 0 11 18 1 0 0 0 5 9 1 0 0 0 11 19 1 0 0 0 4 5 1 0 0 0 11 20 1 0 0 0 M END