Alanine, beta- (3TMS) http://gmd-dev.mpimp-golm.mpg.de/search.aspx?query=7f28d146-9d14-4a5f-939b-e4fd03fdb698 18 17 0 0 0 0 0 0 0 0999 V2000 0.7145 0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.2034 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.4409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.2034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 0.6145 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -2.8529 1.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7299 1.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5520 -0.0975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 0.6145 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.7299 1.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8529 1.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5520 -0.0975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.6187 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -2.2511 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6068 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 3 4 1 0 1 4 1 0 1 5 2 0 1 6 1 0 2 7 1 0 7 8 1 0 7 9 1 0 7 10 1 0 6 11 1 0 11 12 1 0 11 13 1 0 11 14 1 0 2 15 1 0 15 16 1 0 15 17 1 0 15 18 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 7 8 9 10 M SBL 1 1 6 M SMT 1 ^TMS M SCL 1 M SBV 1 6 0.7120 -0.4111 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 11 12 13 14 M SBL 2 1 10 M SMT 2 TMS M SCL 2 M SBV 2 10 -0.7120 -0.4111 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 4 15 16 17 18 M SBL 3 1 14 M SMT 3 TMS M SCL 3 M SBV 3 14 0.0000 0.8221 M END