KEGG:C05462 Chenodeoxyglycocholate ISISHOST03240423122D 1 1.00000 0.00000 4633 33 36 0 0 0 999 V2000 -0.2138 -0.6345 0.0000 C 0 0 3 0 0 0 0 0 0 -0.9172 -1.0448 0.0000 C 0 0 3 0 0 0 0 0 0 -0.2138 0.1759 0.0000 C 0 0 1 0 0 0 0 0 0 1.1793 -0.6310 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6207 -0.6345 0.0000 C 0 0 3 0 0 0 0 0 0 -0.9138 -1.8586 0.0000 C 0 0 1 0 0 0 0 0 0 0.4862 0.5897 0.0000 C 0 0 3 0 0 0 0 0 0 -0.9172 0.5862 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2207 0.9897 0.0000 C 0 0 0 0 0 0 0 0 0 1.1862 0.1793 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3241 -1.0483 0.0000 C 0 0 2 0 0 0 0 0 0 -1.6207 0.1759 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6172 -2.2655 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2069 -2.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0.4793 1.4000 0.0000 C 0 0 3 0 0 0 0 0 0 -2.3241 -1.8586 0.0000 C 0 0 2 0 0 0 0 0 0 -3.0276 -0.6379 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3310 -0.2276 0.0000 C 0 0 0 0 0 0 0 0 0 1.1793 1.8069 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2241 1.8035 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0276 -2.2621 0.0000 C 0 0 0 0 0 0 0 0 0 -3.7345 -1.0448 0.0000 C 0 0 0 0 0 0 0 0 0 1.8862 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 -3.7345 -1.8586 0.0000 C 0 0 1 0 0 0 0 0 0 2.5862 1.8069 0.0000 C 0 0 0 0 0 0 0 0 0 -4.4345 -2.2621 0.0000 O 0 0 0 0 0 0 0 0 0 3.2897 1.4000 0.0000 N 0 0 0 0 0 0 0 0 0 2.5862 2.6172 0.0000 O 0 0 0 0 0 0 0 0 0 3.9897 1.8069 0.0000 C 0 0 0 0 0 0 0 0 0 4.6931 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 5.3931 1.8069 0.0000 O 0 0 0 0 0 0 0 0 0 4.6931 0.5897 0.0000 O 0 0 0 0 0 0 0 0 0 -2.3310 -2.6690 0.0000 H 0 0 0 0 0 0 0 0 0 1 2 1 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 1 0 0 0 3 9 1 1 0 0 4 10 1 0 0 0 5 11 1 0 0 0 5 12 1 0 0 0 6 13 1 0 0 0 6 14 1 6 0 0 7 15 1 0 0 0 11 16 1 0 0 0 11 17 1 0 0 0 11 18 1 1 0 0 15 19 1 0 0 0 15 20 1 0 0 0 16 21 1 0 0 0 17 22 1 0 0 0 19 23 1 0 0 0 21 24 1 0 0 0 23 25 1 0 0 0 24 26 1 6 0 0 25 27 1 0 0 0 25 28 2 0 0 0 27 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 30 32 2 0 0 0 7 10 1 0 0 0 8 12 1 0 0 0 13 16 1 0 0 0 22 24 1 0 0 0 16 33 1 1 0 0 M END