Androst-5-en-17-one, 3beta-hydroxy- (1TMS) http://gmd-dev.mpimp-golm.mpg.de/search.aspx?query=4f98414e-4a73-4944-904b-8d8559679bda 28 31 0 0 0 0 0 0 0 0999 V2000 -1.3517 -1.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3517 -0.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6373 0.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6373 -1.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0772 -1.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 -1.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5062 -1.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5062 -0.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2206 0.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0053 -0.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4902 0.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0053 1.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2206 0.8682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2206 1.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5062 1.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 0.8682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 0.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0772 -0.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0772 0.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0662 -1.6068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2602 1.9077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 -0.7818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5062 0.4557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2206 -0.7818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7782 -1.1958 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -3.4902 -0.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3671 -0.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1893 -1.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 9 13 1 0 13 14 1 1 13 15 1 0 15 16 1 0 16 17 1 0 8 17 1 0 17 18 1 0 3 18 1 0 5 18 1 0 18 19 1 1 1 20 1 1 12 21 2 0 17 22 1 6 8 23 1 1 9 24 1 6 20 25 1 0 25 26 1 0 25 27 1 0 25 28 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 25 26 27 28 M SBL 1 1 28 M SMT 1 ^TMS M SCL 1 M SBV 1 28 0.7120 -0.4111 M END