3.alpha.,5.beta.,7.beta.-trihydroxy-5.beta.-cholan-24-oic acid, TMS, ID: R279831 NIST 24032815512D 1 1.00000 0.00000 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 45 48 0 0 0 1 V2000 2.5963 3.4617 0.0000 C 0 0 0 0 0 0 0 0 0 2.5963 2.4577 0.0000 C 0 0 0 0 0 0 0 0 0 3.4612 1.9584 0.0000 C 0 0 0 0 0 0 0 0 0 3.4612 3.9666 0.0000 C 0 0 0 0 0 0 0 0 0 4.3314 2.4577 0.0000 C 0 0 0 0 0 0 0 0 0 5.2011 1.9556 0.0000 C 0 0 0 0 0 0 0 0 0 6.0706 2.4577 0.0000 C 0 0 0 0 0 0 0 0 0 4.3314 3.4617 0.0000 C 0 0 0 0 0 0 0 0 0 6.0706 3.4617 0.0000 C 0 0 0 0 0 0 0 0 0 6.0706 5.4700 0.0000 C 0 0 0 0 0 0 0 0 0 5.2011 4.9679 0.0000 C 0 0 0 0 0 0 0 0 0 5.2011 3.9638 0.0000 C 0 0 0 0 0 0 0 0 0 6.9402 4.9679 0.0000 C 0 0 0 0 0 0 0 0 0 6.9402 3.9638 0.0000 C 0 0 0 0 0 0 0 0 0 7.8952 3.6535 0.0000 C 0 0 0 0 0 0 0 0 0 8.4853 4.4658 0.0000 C 0 0 0 0 0 0 0 0 0 7.8951 5.2783 0.0000 C 0 0 0 0 0 0 0 0 0 1.7308 1.9638 0.0000 O 0 0 0 0 0 0 0 0 0 4.3271 4.4603 0.0000 C 0 0 0 0 0 0 0 0 0 6.9346 5.9693 0.0000 C 0 0 0 0 0 0 0 0 0 8.3879 6.1468 0.0000 C 0 0 0 0 0 0 0 0 0 7.8832 7.0122 0.0000 C 0 0 0 0 0 0 0 0 0 9.3865 6.1468 0.0000 C 0 0 0 0 0 0 0 0 0 9.8803 5.2869 0.0000 C 0 0 0 0 0 0 0 0 0 10.8789 5.2869 0.0000 C 0 0 0 0 0 0 0 0 0 4.3271 1.4591 0.0000 O 0 0 0 0 0 0 0 0 0 0.8654 2.4631 0.0000 Si 0 0 0 0 0 0 0 0 0 0.3607 1.6033 0.0000 C 0 0 0 0 0 0 0 0 0 1.1207 3.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0.0000 2.9624 0.0000 C 0 0 0 0 0 0 0 0 0 11.3726 6.1524 0.0000 O 0 0 0 0 0 0 0 0 0 11.3726 4.4270 0.0000 O 0 0 0 0 0 0 0 0 0 12.3712 4.4270 0.0000 Si 0 0 0 0 0 0 0 0 0 12.3712 5.4255 0.0000 C 0 0 0 0 0 0 0 0 0 12.3712 3.4284 0.0000 C 0 0 0 0 0 0 0 0 0 13.3697 4.4270 0.0000 C 0 0 0 0 0 0 0 0 0 5.1871 0.9598 0.0000 Si 0 0 0 0 0 0 0 0 0 6.0469 1.4646 0.0000 C 0 0 0 0 0 0 0 0 0 4.9263 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 6.0469 0.4605 0.0000 C 0 0 0 0 0 0 0 0 0 6.9290 1.9638 0.0000 O 0 0 0 0 0 0 0 0 0 7.9275 1.9638 0.0000 Si 0 0 0 0 0 0 0 0 0 7.9275 2.9624 0.0000 C 0 0 0 0 0 0 0 0 0 7.9275 0.9653 0.0000 C 0 0 0 0 0 0 0 0 0 8.9261 1.9638 0.0000 C 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 5 3 1 0 0 0 4 8 1 0 0 0 5 8 1 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 9 7 1 0 0 0 8 12 1 0 0 0 9 12 1 0 0 0 14 9 1 0 0 0 10 13 1 0 0 0 11 10 1 0 0 0 12 11 1 0 0 0 14 13 1 0 0 0 15 14 1 0 0 0 16 15 1 0 0 0 17 16 1 0 0 0 13 17 1 0 0 0 2 18 1 6 0 0 8 19 1 0 0 0 13 20 1 0 0 0 17 21 1 0 0 0 21 22 1 0 0 0 21 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 5 26 1 1 0 0 18 27 1 0 0 0 27 28 1 0 0 0 27 29 1 0 0 0 27 30 1 0 0 0 25 31 2 0 0 0 25 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 33 35 1 0 0 0 33 36 1 0 0 0 26 37 1 0 0 0 37 38 1 0 0 0 37 39 1 0 0 0 37 40 1 0 0 0 7 41 1 1 0 0 41 42 1 0 0 0 42 43 1 0 0 0 42 44 1 0 0 0 42 45 1 0 0 0 M END