Ursodeoxycholic acid 3-sulfate.mol Mrv0541 02231219342D 35 38 0 0 0 0 999 V2000 -1.7151 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4296 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4296 -2.2042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7151 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0006 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2862 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4283 -2.2042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1428 -2.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4283 -1.3792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1428 -0.9667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9274 -1.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4123 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9274 0.1132 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1823 0.8979 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9792 1.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1927 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9896 2.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5990 1.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1428 -0.1417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1428 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4283 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2862 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2862 -0.9667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0006 -1.3792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0006 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5730 1.5384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2032 2.9187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8585 -2.2042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.2710 -2.9187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4460 -1.4897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1441 -2.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5730 -1.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2862 -1.7917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4283 -0.5542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1428 -1.7917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 1 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 13 12 1 1 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 14 18 1 6 0 0 0 13 19 1 0 0 0 0 10 19 1 0 0 0 0 19 20 1 1 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 9 23 1 0 0 0 0 23 24 1 0 0 0 0 1 24 1 0 0 0 0 5 24 1 0 0 0 0 24 25 1 1 0 0 0 17 26 2 0 0 0 0 17 27 1 0 0 0 0 28 29 2 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 28 32 1 0 0 0 0 3 31 1 1 0 0 0 23 33 1 6 0 0 0 9 34 1 1 0 0 0 10 35 1 6 0 0 0 M END