Ketcher 04301510172D 1 1.00000 0.00000 0 41 45 0 0 0 999 V2000 2.4500 -2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3160 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3160 -3.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4500 -4.1250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5840 -3.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5840 -2.6250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4500 -1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1820 -2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2819 -2.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2819 -2.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7819 -2.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7820 -2.0178 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2820 -2.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7820 -3.7498 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7819 -3.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2820 -1.1518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2820 -2.8838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2820 -4.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4500 -5.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2590 -5.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -6.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -6.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6410 -5.7128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2765 -4.7204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4844 -5.6986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6184 -6.1986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8753 -5.5294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5378 -7.4729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3622 -7.4729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5139 -7.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6003 -7.5998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8878 -7.4479 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.8878 -6.4479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8878 -8.4479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3980 -6.1053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3980 -6.1053 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.3980 -5.1053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3980 -7.1053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3980 -6.1053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8980 -6.9713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 1 1 0 0 0 1 7 2 0 0 0 2 8 1 6 0 0 2 9 1 1 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 10 2 0 0 0 11 16 2 0 0 0 13 17 2 0 0 0 14 18 1 0 0 0 4 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 19 1 0 0 0 18 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 18 1 0 0 0 5 28 2 0 0 0 21 29 1 0 0 0 22 30 1 0 0 0 26 31 1 0 0 0 31 32 1 0 0 0 29 33 1 0 0 0 32 33 1 0 0 0 33 34 2 0 0 0 33 35 1 0 0 0 25 36 1 0 0 0 36 37 1 0 0 0 37 38 2 0 0 0 37 39 1 0 0 0 37 40 1 0 0 0 40 41 1 0 0 0 A 30 G* A 41 G* M CHG 2 35 -1 39 -1 M END > CHEBI:85625 > (5R)-5,6-dihydro-5-(thymidin-7-yl)thymidine (in double-helical DNA) > 2 > C19H22N4O14P2 > 592.345 > 592.06187 > -2 > C[C@@]12CN(C3CC(OP([O-])(=O)OCC4OC(CC4OP([O-])(=O)O*)n4cc(C1)c(=O)[nH]c4=O)C(*)O3)C(=O)NC2=O > 16829680 $$$$