allo-Cholanic acid, 3.beta.,7.beta.,12.alpha.-trihydroxy, Me-DMES, ID: R533625 NIST 24032903002D 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 3.4777 4.0084 0.0000 C 0 0 0 0 0 0 0 0 0 3.4777 3.0076 0.0000 C 0 0 0 0 0 0 0 0 0 4.3414 2.5121 0.0000 C 0 0 0 0 0 0 0 0 0 4.3414 4.5138 0.0000 C 0 0 0 0 0 0 0 0 0 5.2051 4.0084 0.0000 C 0 0 0 0 0 0 0 0 0 5.2009 3.0076 0.0000 C 0 0 0 0 0 0 0 0 0 6.0608 2.5062 0.0000 C 0 0 0 0 0 0 0 0 0 6.9303 3.0002 0.0000 C 0 0 0 0 0 0 0 0 0 6.0693 4.5078 0.0000 C 0 0 0 0 0 0 0 0 0 6.9298 3.9980 0.0000 C 0 0 0 0 0 0 0 0 0 6.9503 5.9950 0.0000 C 0 0 0 0 0 0 0 0 0 6.0757 5.5054 0.0000 C 0 0 0 0 0 0 0 0 0 7.8109 5.4851 0.0000 C 0 0 0 0 0 0 0 0 0 7.8001 4.4884 0.0000 C 0 0 0 0 0 0 0 0 0 8.7447 4.1701 0.0000 C 0 0 0 0 0 0 0 0 0 9.3394 4.9702 0.0000 C 0 0 0 0 0 0 0 0 0 8.7621 5.7827 0.0000 C 0 0 0 0 0 0 0 0 0 5.1963 5.0092 0.0000 C 0 0 0 0 0 0 0 0 0 7.8045 6.4902 0.0000 C 0 0 0 0 0 0 0 0 0 9.2552 6.6570 0.0000 C 0 0 0 0 0 0 0 0 0 8.7497 7.5265 0.0000 C 0 0 0 0 0 0 0 0 0 10.2560 6.6570 0.0000 C 0 0 0 0 0 0 0 0 0 10.7513 5.7927 0.0000 C 0 0 0 0 0 0 0 0 0 11.7521 5.7927 0.0000 C 0 0 0 0 0 0 0 0 0 12.2476 6.6621 0.0000 O 0 0 0 0 0 0 0 0 0 12.2476 4.9283 0.0000 O 0 0 0 0 0 0 0 0 0 13.2484 4.9283 0.0000 C 0 0 0 0 0 0 0 0 0 2.6082 2.5121 0.0000 O 0 0 0 0 0 0 0 0 0 1.7389 3.0125 0.0000 Si 0 0 0 0 0 0 0 0 0 1.2334 2.1482 0.0000 C 0 0 0 0 0 0 0 0 0 2.2342 3.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0.8694 3.5130 0.0000 C 0 0 0 0 0 0 0 0 0 7.7943 2.5021 0.0000 O 0 0 0 0 0 0 0 0 0 7.7893 1.5012 0.0000 Si 0 0 0 0 0 0 0 0 0 6.7885 1.5063 0.0000 C 0 0 0 0 0 0 0 0 0 8.7902 1.5012 0.0000 C 0 0 0 0 0 0 0 0 0 7.7842 0.5004 0.0000 C 0 0 0 0 0 0 0 0 0 6.9451 7.0007 0.0000 O 0 0 0 0 0 0 0 0 0 6.0758 7.5011 0.0000 Si 0 0 0 0 0 0 0 0 0 5.5703 6.6368 0.0000 C 0 0 0 0 0 0 0 0 0 6.5711 8.3706 0.0000 C 0 0 0 0 0 0 0 0 0 5.2064 8.0015 0.0000 C 0 0 0 0 0 0 0 0 0 4.3369 7.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0.0000 3.0176 0.0000 C 0 0 0 0 0 0 0 0 0 8.6486 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 20 21 1 6 0 0 4 5 1 0 0 0 20 22 1 0 0 0 6 5 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 9 12 1 1 0 0 24 25 2 0 0 0 10 14 1 6 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 2 28 1 1 0 0 14 13 1 0 0 0 28 29 1 0 0 0 2 1 1 0 0 0 29 30 1 0 0 0 1 4 1 0 0 0 29 31 1 0 0 0 3 2 1 0 0 0 29 32 1 0 0 0 5 9 1 0 0 0 8 33 1 1 0 0 6 7 1 1 0 0 33 34 1 0 0 0 14 15 1 1 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 13 17 1 0 0 0 11 38 1 6 0 0 8 7 1 0 0 0 38 39 1 0 0 0 5 18 1 1 0 0 39 40 1 0 0 0 10 8 1 0 0 0 39 41 1 0 0 0 13 19 1 1 0 0 39 42 1 0 0 0 10 9 1 0 0 0 42 43 1 0 0 0 17 20 1 1 0 0 32 44 1 0 0 0 6 3 1 0 0 0 37 45 1 0 0 0 M END