KEGG:C08083 Abacavir sulfate ISISHOST03240423192D 1 1.00000 0.00000 7126 47 52 0 0 0 999 V2000 0.2172 0.5793 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5103 0.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0.9552 0.2552 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0034 1.3000 0.0000 N 0 0 0 0 0 0 0 0 0 -1.1379 0.4793 0.0000 N 0 0 3 0 0 0 0 0 0 -0.4310 -0.7931 0.0000 N 0 0 0 0 0 0 0 0 0 1.6069 0.7379 0.0000 N 0 0 0 0 0 0 0 0 0 1.0517 -0.6207 0.0000 N 0 0 0 0 0 0 0 0 0 -0.8586 1.3035 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9000 0.2345 0.0000 C 0 0 2 0 0 0 0 0 0 0.3483 -1.1414 0.0000 C 0 0 0 0 0 0 0 0 0 2.3655 0.4069 0.0000 C 0 0 3 0 0 0 0 0 0 -2.5724 0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1517 -0.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0.4379 -1.9621 0.0000 N 0 0 0 0 0 0 0 0 0 2.8552 -0.2517 0.0000 C 0 0 0 0 0 0 0 0 0 3.1828 0.5103 0.0000 C 0 0 0 0 0 0 0 0 0 -3.2207 0.2690 0.0000 C 0 0 1 0 0 0 0 0 0 -2.9690 -0.5034 0.0000 C 0 0 0 0 0 0 0 0 0 -3.9897 0.5103 0.0000 C 0 0 0 0 0 0 0 0 0 -4.6448 0.0172 0.0000 O 0 0 0 0 0 0 0 0 0 0.2172 0.5793 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5103 0.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0.9552 0.2552 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0034 1.3000 0.0000 N 0 0 0 0 0 0 0 0 0 -1.1379 0.4793 0.0000 N 0 0 3 0 0 0 0 0 0 -0.4310 -0.7931 0.0000 N 0 0 0 0 0 0 0 0 0 1.6069 0.7379 0.0000 N 0 0 0 0 0 0 0 0 0 1.0517 -0.6207 0.0000 N 0 0 0 0 0 0 0 0 0 -0.8586 1.3035 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9000 0.2345 0.0000 C 0 0 2 0 0 0 0 0 0 0.3483 -1.1414 0.0000 C 0 0 0 0 0 0 0 0 0 2.3655 0.4069 0.0000 C 0 0 3 0 0 0 0 0 0 -2.5724 0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1517 -0.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0.4379 -1.9621 0.0000 N 0 0 0 0 0 0 0 0 0 2.8552 -0.2517 0.0000 C 0 0 0 0 0 0 0 0 0 3.1828 0.5103 0.0000 C 0 0 0 0 0 0 0 0 0 -3.2207 0.2690 0.0000 C 0 0 1 0 0 0 0 0 0 -2.9690 -0.5034 0.0000 C 0 0 0 0 0 0 0 0 0 -3.9897 0.5103 0.0000 C 0 0 0 0 0 0 0 0 0 -4.6448 0.0172 0.0000 O 0 0 0 0 0 0 0 0 0 5.3690 -0.3310 0.0000 S 0 0 3 0 0 0 0 0 0 4.5448 -0.3276 0.0000 O 0 0 0 0 0 0 0 0 0 6.1931 -0.3310 0.0000 O 0 0 0 0 0 0 0 0 0 5.3655 0.4931 0.0000 O 0 0 0 0 0 0 0 0 0 5.3655 -1.1586 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 3 8 2 0 0 0 4 9 2 0 0 0 10 5 1 1 0 0 6 11 2 0 0 0 7 12 1 0 0 0 10 13 1 0 0 0 10 14 1 0 0 0 11 15 1 0 0 0 12 16 1 0 0 0 12 17 1 0 0 0 13 18 1 0 0 0 14 19 2 0 0 0 18 20 1 1 0 0 20 21 1 0 0 0 22 23 2 0 0 0 22 24 1 0 0 0 22 25 1 0 0 0 23 26 1 0 0 0 23 27 1 0 0 0 24 28 1 0 0 0 24 29 2 0 0 0 25 30 2 0 0 0 31 26 1 1 0 0 27 32 2 0 0 0 28 33 1 0 0 0 31 34 1 0 0 0 31 35 1 0 0 0 32 36 1 0 0 0 33 37 1 0 0 0 33 38 1 0 0 0 34 39 1 0 0 0 35 40 2 0 0 0 39 41 1 1 0 0 41 42 1 0 0 0 43 44 1 0 0 0 43 45 1 0 0 0 43 46 2 0 0 0 43 47 2 0 0 0 5 9 1 0 0 0 8 11 1 0 0 0 16 17 1 0 0 0 18 19 1 0 0 0 26 30 1 0 0 0 29 32 1 0 0 0 37 38 1 0 0 0 39 40 1 0 0 0 M STY 1 1 MUL M SLB 1 1 1 M SCN 1 1 HT M SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 M SAL 1 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 M SAL 1 12 31 32 33 34 35 36 37 38 39 40 41 42 M SPA 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 M SPA 1 6 16 17 18 19 20 21 M SMT 1 2 M SDI 1 4 -5.6552 -2.6069 -5.6552 1.8345 M SDI 1 4 3.6172 1.8345 3.6172 -2.6069 M END