KEGG:C03642 Taurolithocholate sulfate ISISHOST07120423082D 1 1.00000 0.00000 3174 42 45 0 1 0 999 V2000 11.1621 -6.5181 0.0000 C 0 0 1 0 0 0 0 0 0 10.4456 -6.9319 0.0000 C 0 0 1 0 0 0 0 0 0 11.1655 -5.6947 0.0000 C 0 0 1 0 0 0 0 0 0 12.5889 -6.5216 0.0000 C 0 0 0 0 0 0 0 0 0 9.7359 -6.5250 0.0000 C 0 0 1 0 0 0 0 0 0 10.4352 -7.7829 0.0000 C 0 0 0 0 0 0 0 0 0 11.8751 -5.2885 0.0000 C 0 0 2 0 0 0 0 0 0 10.4421 -5.2919 0.0000 C 0 0 0 0 0 0 0 0 0 11.1345 -4.8816 0.0000 C 0 0 0 0 0 0 0 0 0 12.5889 -5.6982 0.0000 C 0 0 0 0 0 0 0 0 0 9.0332 -6.9388 0.0000 C 0 0 2 0 0 0 0 0 0 9.7290 -5.7016 0.0000 C 0 0 0 0 0 0 0 0 0 9.7393 -8.1581 0.0000 C 0 0 0 0 0 0 0 0 0 11.8786 -4.4823 0.0000 C 0 0 1 0 0 0 0 0 0 9.0332 -7.7518 0.0000 C 0 0 2 0 0 0 0 0 0 8.3270 -6.5353 0.0000 C 0 0 0 0 0 0 0 0 0 9.0263 -6.1395 0.0000 C 0 0 0 0 0 0 0 0 0 12.5786 -4.0823 0.0000 C 0 0 0 0 0 0 0 0 0 11.1862 -4.0754 0.0000 C 0 0 0 0 0 0 0 0 0 8.3270 -8.1615 0.0000 C 0 0 0 0 0 0 0 0 0 7.6346 -6.9388 0.0000 C 0 0 0 0 0 0 0 0 0 13.2676 -4.4858 0.0000 C 0 0 0 0 0 0 0 0 0 7.6346 -7.7518 0.0000 C 0 0 1 0 0 0 0 0 0 13.9634 -4.0858 0.0000 C 0 0 0 0 0 0 0 0 0 6.9380 -8.1477 0.0000 O 0 0 0 0 0 0 0 0 0 14.6592 -4.4961 0.0000 N 0 0 0 0 0 0 0 0 0 13.9634 -3.2831 0.0000 O 0 0 0 0 0 0 0 0 0 14.6523 -5.2988 0.0000 C 0 0 0 0 0 0 0 0 0 15.3447 -5.7016 0.0000 C 0 0 0 0 0 0 0 0 0 15.3378 -6.5043 0.0000 S 0 0 3 0 0 0 0 0 0 15.3378 -7.3070 0.0000 O 0 0 0 0 0 0 0 0 0 14.5385 -6.5009 0.0000 O 0 0 0 0 0 0 0 0 0 16.1474 -6.4905 0.0000 O 0 0 0 0 0 0 0 0 0 11.1621 -7.3174 0.0000 H 0 0 0 0 0 0 0 0 0 10.4387 -6.1258 0.0000 H 0 0 0 0 0 0 0 0 0 9.7324 -7.3277 0.0000 H 0 0 0 0 0 0 0 0 0 12.6012 -4.9014 0.0000 H 0 0 0 0 0 0 0 0 0 9.0263 -8.5546 0.0000 H 0 0 0 0 0 0 0 0 0 6.1125 -8.1458 0.0000 S 0 0 3 0 0 0 0 0 0 6.1083 -8.9708 0.0000 O 0 0 0 0 0 0 0 0 0 6.1083 -7.3208 0.0000 O 0 0 0 0 0 0 0 0 0 5.2875 -8.1417 0.0000 O 0 0 0 0 0 0 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 25 39 1 0 0 0 1 2 1 0 0 0 39 40 2 0 0 0 1 3 1 0 0 0 39 41 1 0 0 0 1 4 1 0 0 0 39 42 2 0 0 0 M END