Tauroursodeoxycholic acid.mol Mrv0541 02231218482D 36 39 0 0 0 0 999 V2000 2.8767 2.4687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2934 3.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6736 2.6823 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4601 3.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8871 1.8854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4705 2.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4965 2.8386 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7560 -2.6542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7560 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0416 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0416 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3271 -2.6542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6126 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8981 -2.6542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8981 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1837 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6010 -1.6716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0859 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6010 -0.3367 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8559 0.4479 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2725 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4861 1.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2829 2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6629 0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1837 -0.5917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0974 0.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8981 -0.1792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6126 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6126 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3271 -1.8292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3271 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8663 1.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8981 0.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1837 -3.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4705 -3.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3271 -3.4792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 4 2 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 1 3 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 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 17 18 1 0 0 0 0 19 18 1 1 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 20 24 1 1 0 0 0 19 25 1 0 0 0 0 16 25 1 0 0 0 0 25 26 1 1 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 15 29 1 0 0 0 0 29 30 1 0 0 0 0 10 30 1 0 0 0 0 12 30 1 0 0 0 0 30 31 1 1 0 0 0 23 32 2 0 0 0 0 27 33 1 6 0 0 0 14 34 1 1 0 0 0 8 35 1 6 0 0 0 12 36 1 1 0 0 0 7 23 1 0 0 0 0 2 7 1 0 0 0 0 M END