KEGG:C00871 Alkylated DNA ISISHOST03240423032D 1 1.00000 0.00000 829 33 35 0 1 0 999 V2000 0.0448 0.4793 0.0000 C 0 0 2 0 0 0 0 0 0 0.2724 -0.2345 0.0000 C 0 0 2 0 0 0 0 0 0 0.6448 0.9138 0.0000 O 0 0 0 0 0 0 0 0 0 -0.6655 0.7138 0.0000 C 0 0 0 0 0 0 0 0 0 1.0241 -0.2345 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1690 -0.8379 0.0000 O 0 0 0 0 0 0 0 0 0 1.2552 0.4793 0.0000 C 0 0 2 0 0 0 0 0 0 -1.8448 1.4483 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1724 -1.5862 0.0000 P 0 0 3 0 0 0 0 0 0 1.9655 0.7138 0.0000 R 0 0 0 0 0 0 0 0 0 -1.8483 2.1966 0.0000 P 0 0 3 0 0 0 0 0 0 -0.1138 -2.3828 0.0000 O 0 0 0 0 0 0 0 0 0 -0.9241 -1.5828 0.0000 O 0 0 0 0 0 0 0 0 0 0.5793 -1.5862 0.0000 O 0 0 0 0 0 0 0 0 0 -1.8483 2.9448 0.0000 O 0 0 0 0 0 0 0 0 0 -2.5966 2.2000 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1035 2.1966 0.0000 O 0 0 0 0 0 0 0 0 0 0.9241 -3.8828 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4069 3.5483 0.0000 C 0 0 2 0 0 0 0 0 0 1.6379 -4.1172 0.0000 C 0 0 1 0 0 0 0 0 0 -1.6345 4.2621 0.0000 C 0 0 2 0 0 0 0 0 0 -0.6552 3.5483 0.0000 C 0 0 0 0 0 0 0 0 0 2.2379 -3.6793 0.0000 O 0 0 0 0 0 0 0 0 0 1.8621 -4.8310 0.0000 C 0 0 2 0 0 0 0 0 0 -1.0310 4.6931 0.0000 O 0 0 0 0 0 0 0 0 0 -2.3448 4.4897 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4241 4.2621 0.0000 C 0 0 1 0 0 0 0 0 0 2.8448 -4.1172 0.0000 C 0 0 2 0 0 0 0 0 0 2.6138 -4.8310 0.0000 C 0 0 0 0 0 0 0 0 0 1.4207 -5.4345 0.0000 O 0 0 0 0 0 0 0 0 0 -2.9000 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0.2862 4.4897 0.0000 R 0 0 0 0 0 0 0 0 0 3.5552 -3.8828 0.0000 R 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 1 0 0 2 5 1 0 0 0 2 6 1 6 0 0 3 7 1 0 0 0 4 8 1 0 0 0 6 9 1 0 0 0 7 10 1 1 0 0 8 11 1 0 0 0 9 12 1 0 0 0 9 13 1 0 0 0 9 14 2 0 0 0 11 15 1 0 0 0 11 16 1 0 0 0 11 17 2 0 0 0 12 18 1 0 0 0 19 15 1 6 0 0 20 18 1 1 0 0 19 21 1 0 0 0 19 22 1 0 0 0 20 23 1 0 0 0 20 24 1 0 0 0 21 25 1 0 0 0 21 26 1 1 0 0 22 27 1 0 0 0 23 28 1 0 0 0 24 29 1 0 0 0 24 30 1 6 0 0 26 31 1 0 0 0 27 32 1 1 0 0 28 33 1 1 0 0 5 7 1 0 0 0 25 27 1 0 0 0 28 29 1 0 0 0 M STY 1 1 SRU M SLB 1 1 1 M SCN 1 1 HT M SAL 1 12 1 2 3 4 5 6 7 9 10 12 13 14 M SBL 1 2 7 17 M SDI 1 4 -1.1483 0.6793 -1.1483 1.5000 M SDI 1 4 0.8000 -3.2517 -0.0276 -3.2517 M END