Sitosterol, beta- (1TMS) http://gmd-dev.mpimp-golm.mpg.de/search.aspx?query=8fd18f97-add1-44df-b5f7-4fab5dfe16bb 37 40 0 0 0 0 0 0 0 0999 V2000 -2.8613 -2.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8613 -1.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1468 -1.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1468 -2.8608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4324 -2.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7179 -2.8608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0034 -2.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0034 -1.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7111 -1.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4957 -1.4657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9806 -0.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4957 -0.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7506 0.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5576 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 1.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6195 1.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8330 2.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2497 3.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6299 2.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1673 1.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7111 -0.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7111 0.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0034 0.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7179 -0.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7179 -1.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4324 -1.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4324 -0.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2029 1.1981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9998 1.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5758 -2.8608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7179 -2.0358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0034 -0.7983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7111 -2.0358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2878 -2.4497 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -4.9998 -2.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8767 -1.7377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6988 -3.1617 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 12 11 1 1 12 13 1 0 13 14 1 0 14 15 1 0 16 15 1 6 16 17 1 0 17 18 1 0 17 19 1 0 13 20 1 6 12 21 1 0 9 21 1 0 21 22 1 1 21 23 1 0 23 24 1 0 24 25 1 0 8 25 1 0 25 26 1 0 3 26 1 0 5 26 1 0 26 27 1 1 28 29 1 0 16 28 1 0 1 30 1 0 25 31 1 6 8 32 1 1 9 33 1 6 30 34 1 0 34 35 1 0 34 36 1 0 34 37 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 34 35 36 37 M SBL 1 1 37 M SMT 1 ^TMS M SCL 1 M SBV 1 37 0.7120 -0.4111 M END