KEGG:C13326 Kad 1229 -ISIS- 03030516262D 51 54 0 0 0 0 0 0 0 0999 V2000 0.0208 -5.7125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.7375 -6.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -5.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1708 -6.1208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8833 -5.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 -6.1167 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0653 -4.8859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7302 -6.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2857 -5.4344 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8724 -4.7196 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2874 -4.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1116 -4.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5208 -4.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1100 -5.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7393 -6.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1726 -6.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8815 -4.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8880 -7.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8893 -8.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6088 -8.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3265 -8.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3247 -7.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6052 -6.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4667 -3.9958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7042 -6.1500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6458 -6.3417 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 0.0208 -5.7125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.7375 -6.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -5.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1708 -6.1208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8833 -5.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 -6.1167 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0653 -4.8859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7302 -6.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2857 -5.4344 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8724 -4.7196 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2874 -4.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1116 -4.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5208 -4.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1100 -5.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7393 -6.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1726 -6.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8815 -4.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8880 -7.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8893 -8.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6088 -8.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3265 -8.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3247 -7.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6052 -6.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4667 -3.9958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7042 -6.1500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 10 24 1 1 0 0 0 1 2 1 0 0 0 0 9 25 1 1 0 0 0 5 6 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 27 28 1 0 0 0 0 11 12 1 0 0 0 0 28 29 1 0 0 0 0 12 13 1 0 0 0 0 29 30 1 0 0 0 0 13 14 1 0 0 0 0 30 31 1 0 0 0 0 14 9 1 0 0 0 0 31 32 1 0 0 0 0 2 15 2 0 0 0 0 27 33 1 0 0 0 0 33 36 1 0 0 0 0 35 34 1 0 0 0 0 34 27 1 0 0 0 0 2 3 1 0 0 0 0 4 16 1 1 0 0 0 1 7 1 0 0 0 0 5 17 2 0 0 0 0 7 10 1 0 0 0 0 16 18 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 35 1 0 0 0 0 9 8 1 0 0 0 0 28 41 2 0 0 0 0 8 1 1 0 0 0 0 30 42 1 1 0 0 0 31 43 2 0 0 0 0 3 4 1 0 0 0 0 42 44 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 49 44 1 0 0 0 0 22 23 2 0 0 0 0 36 50 1 1 0 0 0 23 18 1 0 0 0 0 35 51 1 1 0 0 0 M CHG 3 6 -1 26 2 32 -1 M STY 1 1 MUL M SLB 1 1 1 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 27 28 29 30 31 M SAL 1 15 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 M SAL 1 5 47 48 49 50 51 M SPA 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 M SPA 1 10 16 17 18 19 20 21 22 23 24 25 M SDI 1 4 -2.9700 -9.0400 -2.9700 -3.5100 M SDI 1 4 4.7700 -3.5100 4.7700 -9.0400 M SMT 1 2 M END