KEGG:C02528 Chenodeoxycholate ISISHOST03240423062D 1 1.00000 0.00000 2262 33 36 0 1 0 999 V2000 0.4517 -0.4276 0.0000 C 0 0 1 0 0 0 0 0 0 -0.2552 -0.8379 0.0000 C 0 0 1 0 0 0 0 0 0 0.4552 0.3931 0.0000 C 0 0 1 0 0 0 0 0 0 1.8690 -0.4310 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9586 -0.4345 0.0000 C 0 0 1 0 0 0 0 0 0 -0.2483 -1.6552 0.0000 C 0 0 1 0 0 0 0 0 0 1.1655 0.8000 0.0000 C 0 0 2 0 0 0 0 0 0 -0.2586 0.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0.4517 1.1931 0.0000 C 0 0 0 0 0 0 0 0 0 1.8759 0.3897 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6483 -0.8552 0.0000 C 0 0 2 0 0 0 0 0 0 -0.9655 0.3828 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9552 -2.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0.4586 -2.0655 0.0000 O 0 0 0 0 0 0 0 0 0 1.1690 1.6000 0.0000 C 0 0 1 0 0 0 0 0 0 -1.6621 -1.6517 0.0000 C 0 0 2 0 0 0 0 0 0 -2.3621 -0.4448 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6655 -0.0448 0.0000 C 0 0 0 0 0 0 0 0 0 1.8621 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0.4793 2.0035 0.0000 C 0 0 0 0 0 0 0 0 0 -2.3621 -2.0586 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0517 -0.8448 0.0000 C 0 0 0 0 0 0 0 0 0 2.5517 1.5966 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0517 -1.6517 0.0000 C 0 0 1 0 0 0 0 0 0 3.2448 1.9897 0.0000 C 0 0 0 0 0 0 0 0 0 -3.7690 -2.0621 0.0000 O 0 0 0 0 0 0 0 0 0 3.9345 1.5897 0.0000 O 0 0 0 0 0 0 0 0 0 3.2448 2.7897 0.0000 O 0 0 0 0 0 0 0 0 0 0.4483 -1.2483 0.0000 H 0 0 0 0 0 0 0 0 0 -0.2621 -0.0103 0.0000 H 0 0 0 0 0 0 0 0 0 -0.9655 -1.2586 0.0000 H 0 0 0 0 0 0 0 0 0 1.8759 1.2172 0.0000 H 0 0 0 0 0 0 0 0 0 -1.6690 -2.4793 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 6 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 7 10 1 0 0 0 8 12 1 0 0 0 13 16 1 0 0 0 22 24 1 0 0 0 1 29 1 6 0 0 2 30 1 1 0 0 5 31 1 6 0 0 7 32 1 6 0 0 16 33 1 1 0 0 M END