KEGG:C02592 Taurolithocholate ISISHOST07120423062D 1 1.00000 0.00000 2313 38 41 0 1 0 999 V2000 3.9496 -8.5556 0.0000 C 0 0 1 0 0 0 0 0 0 3.2331 -8.9694 0.0000 C 0 0 1 0 0 0 0 0 0 3.9530 -7.7322 0.0000 C 0 0 1 0 0 0 0 0 0 5.3764 -8.5591 0.0000 C 0 0 0 0 0 0 0 0 0 2.5234 -8.5625 0.0000 C 0 0 1 0 0 0 0 0 0 3.2227 -9.8204 0.0000 C 0 0 0 0 0 0 0 0 0 4.6626 -7.3260 0.0000 C 0 0 2 0 0 0 0 0 0 3.2296 -7.3294 0.0000 C 0 0 0 0 0 0 0 0 0 3.9220 -6.9191 0.0000 C 0 0 0 0 0 0 0 0 0 5.3764 -7.7357 0.0000 C 0 0 0 0 0 0 0 0 0 1.8207 -8.9763 0.0000 C 0 0 2 0 0 0 0 0 0 2.5165 -7.7391 0.0000 C 0 0 0 0 0 0 0 0 0 2.5268 -10.1956 0.0000 C 0 0 0 0 0 0 0 0 0 4.6661 -6.5198 0.0000 C 0 0 1 0 0 0 0 0 0 1.8207 -9.7893 0.0000 C 0 0 2 0 0 0 0 0 0 1.1145 -8.5728 0.0000 C 0 0 0 0 0 0 0 0 0 1.8138 -8.1770 0.0000 C 0 0 0 0 0 0 0 0 0 5.3661 -6.1198 0.0000 C 0 0 0 0 0 0 0 0 0 3.9737 -6.1129 0.0000 C 0 0 0 0 0 0 0 0 0 1.1145 -10.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0.4221 -8.9763 0.0000 C 0 0 0 0 0 0 0 0 0 6.0551 -6.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0.4221 -9.7893 0.0000 C 0 0 1 0 0 0 0 0 0 6.7509 -6.1233 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2745 -10.1852 0.0000 O 0 0 0 0 0 0 0 0 0 7.4467 -6.5336 0.0000 N 0 0 0 0 0 0 0 0 0 6.7509 -5.3206 0.0000 O 0 0 0 0 0 0 0 0 0 7.4398 -7.3363 0.0000 C 0 0 0 0 0 0 0 0 0 8.1322 -7.7391 0.0000 C 0 0 0 0 0 0 0 0 0 8.1253 -8.5418 0.0000 S 0 0 3 0 0 0 0 0 0 8.1253 -9.3445 0.0000 O 0 0 0 0 0 0 0 0 0 7.3260 -8.5384 0.0000 O 0 0 0 0 0 0 0 0 0 8.9349 -8.5280 0.0000 O 0 0 0 0 0 0 0 0 0 3.9496 -9.3549 0.0000 H 0 0 0 0 0 0 0 0 0 3.2262 -8.1633 0.0000 H 0 0 0 0 0 0 0 0 0 2.5199 -9.3652 0.0000 H 0 0 0 0 0 0 0 0 0 5.3887 -6.9389 0.0000 H 0 0 0 0 0 0 0 0 0 1.8138 -10.5921 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 7 14 1 0 0 0 11 15 1 0 0 0 11 16 1 0 0 0 11 17 1 1 0 0 14 18 1 0 0 0 14 19 1 6 0 0 15 20 1 0 0 0 16 21 1 0 0 0 18 22 1 0 0 0 20 23 1 0 0 0 22 24 1 0 0 0 23 25 1 6 0 0 24 26 1 0 0 0 24 27 2 0 0 0 26 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 30 32 2 0 0 0 30 33 2 0 0 0 7 10 1 0 0 0 8 12 1 0 0 0 13 15 1 0 0 0 21 23 1 0 0 0 1 34 1 6 0 0 2 35 1 1 0 0 5 36 1 6 0 0 7 37 1 6 0 0 15 38 1 1 0 0 M END