1-(6'-oxoheptyl)-3,7-dimethylxanthine, ID: R155072 NIST 24031906202D 1 1.00000 0.00000 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 21 22 0 0 0 1 V2000 6.0846 2.4966 0.0000 N 0 0 0 0 0 0 0 0 0 6.0846 1.4960 0.0000 C 0 0 0 0 0 0 0 0 0 6.9483 1.0006 0.0000 N 0 0 0 0 0 0 0 0 0 6.9483 3.0019 0.0000 C 0 0 0 0 0 0 0 0 0 7.8119 2.4966 0.0000 C 0 0 0 0 0 0 0 0 0 7.8173 1.5002 0.0000 C 0 0 0 0 0 0 0 0 0 8.7665 1.1975 0.0000 N 0 0 0 0 0 0 0 0 0 9.3477 2.0068 0.0000 C 0 0 0 0 0 0 0 0 0 8.7577 2.8095 0.0000 N 0 0 0 0 0 0 0 0 0 5.2154 2.9969 0.0000 C 0 0 0 0 0 0 0 0 0 6.9387 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 9.0107 3.7802 0.0000 C 0 0 0 0 0 0 0 0 0 4.3461 2.5016 0.0000 C 0 0 0 0 0 0 0 0 0 3.4769 3.0019 0.0000 C 0 0 0 0 0 0 0 0 0 2.6077 2.5067 0.0000 C 0 0 0 0 0 0 0 0 0 1.7384 3.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0.8692 2.5118 0.0000 C 0 0 0 0 0 0 0 0 0 6.9387 4.0025 0.0000 O 0 0 0 0 0 0 0 0 0 5.2154 1.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0.0000 3.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0.8642 1.5111 0.0000 O 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 6 5 2 0 0 0 3 11 1 0 0 0 9 12 1 0 0 0 2 1 1 0 0 0 10 13 1 0 0 0 1 4 1 0 0 0 13 14 1 0 0 0 3 2 1 0 0 0 14 15 1 0 0 0 6 3 1 0 0 0 15 16 1 0 0 0 7 6 1 0 0 0 16 17 1 0 0 0 8 7 2 0 0 0 4 18 2 0 0 0 9 8 1 0 0 0 2 19 2 0 0 0 5 9 1 0 0 0 17 20 1 0 0 0 4 5 1 0 0 0 17 21 2 0 0 0 M END