3-.alpha.,7-.beta.,22-Trihydroxy-5-.beta.-cholic acid, methyl ester, TMS NIST 24032813022D 1 1.00000 0.00000 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 43 46 0 0 0 1 V2000 2.6055 3.5043 0.0000 C 0 0 0 0 0 0 0 0 0 2.6055 2.5046 0.0000 C 0 0 0 0 0 0 0 0 0 3.4684 2.0096 0.0000 C 0 0 0 0 0 0 0 0 0 3.4684 4.0092 0.0000 C 0 0 0 0 0 0 0 0 0 4.3312 3.5043 0.0000 C 0 0 0 0 0 0 0 0 0 4.3270 2.5046 0.0000 C 0 0 0 0 0 0 0 0 0 5.1859 2.0037 0.0000 C 0 0 0 0 0 0 0 0 0 6.0546 2.4972 0.0000 C 0 0 0 0 0 0 0 0 0 5.1944 4.0033 0.0000 C 0 0 0 0 0 0 0 0 0 6.0588 3.4911 0.0000 C 0 0 0 0 0 0 0 0 0 6.0794 5.4971 0.0000 C 0 0 0 0 0 0 0 0 0 5.2010 5.0054 0.0000 C 0 0 0 0 0 0 0 0 0 6.9440 4.9849 0.0000 C 0 0 0 0 0 0 0 0 0 6.9276 3.9833 0.0000 C 0 0 0 0 0 0 0 0 0 7.8753 3.6583 0.0000 C 0 0 0 0 0 0 0 0 0 8.4772 4.4591 0.0000 C 0 0 0 0 0 0 0 0 0 7.9016 5.2789 0.0000 C 0 0 0 0 0 0 0 0 0 1.7370 2.0096 0.0000 O 0 0 0 0 0 0 0 0 0 4.3222 4.5041 0.0000 C 0 0 0 0 0 0 0 0 0 6.9379 5.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0.8684 2.5095 0.0000 Si 0 0 0 0 0 0 0 0 0 1.1259 3.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0.0000 3.0094 0.0000 C 0 0 0 0 0 0 0 0 0 8.3922 6.1502 0.0000 C 0 0 0 0 0 0 0 0 0 7.6802 6.8622 0.0000 C 0 0 0 0 0 0 0 0 0 9.3919 6.1502 0.0000 C 0 0 0 0 0 0 0 0 0 9.8867 5.2868 0.0000 C 0 0 0 0 0 0 0 0 0 10.8865 5.2868 0.0000 C 0 0 0 0 0 0 0 0 0 11.3813 6.1553 0.0000 O 0 0 0 0 0 0 0 0 0 11.3813 4.4233 0.0000 O 0 0 0 0 0 0 0 0 0 12.3811 4.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0.6059 1.5451 0.0000 C 0 0 0 0 0 0 0 0 0 6.9177 1.9996 0.0000 O 0 0 0 0 0 0 0 0 0 6.9126 0.9998 0.0000 Si 0 0 0 0 0 0 0 0 0 5.9128 1.0049 0.0000 C 0 0 0 0 0 0 0 0 0 7.9124 0.9998 0.0000 C 0 0 0 0 0 0 0 0 0 6.9076 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 4.3173 1.5097 0.0000 H 0 0 0 0 0 0 0 0 0 9.8867 7.0187 0.0000 O 0 0 0 0 0 0 0 0 0 9.3818 7.8872 0.0000 Si 0 0 0 0 0 0 0 0 0 8.5133 7.3924 0.0000 C 0 0 0 0 0 0 0 0 0 10.2452 8.3922 0.0000 C 0 0 0 0 0 0 0 0 0 8.8769 8.7557 0.0000 C 0 0 0 0 0 0 0 0 0 13 20 1 1 0 0 6 3 1 0 0 0 18 21 1 0 0 0 4 5 1 0 0 0 21 22 1 0 0 0 6 5 1 0 0 0 21 23 1 0 0 0 17 24 1 1 0 0 9 12 1 0 0 0 24 25 1 6 0 0 14 10 1 0 0 0 24 26 1 0 0 0 11 13 1 0 0 0 26 27 1 0 0 0 12 11 1 0 0 0 27 28 1 0 0 0 14 13 1 0 0 0 28 29 2 0 0 0 2 1 1 0 0 0 28 30 1 0 0 0 1 4 1 0 0 0 30 31 1 0 0 0 3 2 1 0 0 0 21 32 1 0 0 0 5 9 1 0 0 0 8 33 1 1 0 0 7 6 1 0 0 0 15 14 1 0 0 0 34 35 1 0 0 0 16 15 1 0 0 0 34 36 1 0 0 0 17 16 1 0 0 0 34 37 1 0 0 0 33 34 1 0 0 0 13 17 1 0 0 0 6 38 1 1 0 0 8 7 1 0 0 0 26 39 1 0 0 0 2 18 1 6 0 0 39 40 1 0 0 0 10 8 1 0 0 0 40 41 1 0 0 0 5 19 1 1 0 0 40 42 1 0 0 0 10 9 1 0 0 0 40 43 1 0 0 0 M END