Pinitol, D- (5TMS) http://gmd-dev.mpimp-golm.mpg.de/search.aspx?query=dfedbee2-6b66-4b52-b802-dbd1df6905c0 33 33 0 0 0 0 0 0 0 0999 V2000 0.3010 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4135 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4135 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3010 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0153 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0153 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3010 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1280 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1280 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3010 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7298 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7298 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4443 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7298 1.6471 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.9077 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7298 2.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5520 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 2.0610 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.1230 2.4721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8221 1.3490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8400 0.4139 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -2.5520 0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2511 1.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1280 -1.6471 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.1280 -2.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9501 -1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3059 -1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0129 -2.0610 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.6019 -2.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 -1.3490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7249 -2.4721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 1 6 1 0 1 7 1 6 2 8 1 1 3 9 1 0 4 10 1 6 5 11 1 6 12 13 1 0 6 12 1 0 11 14 1 0 14 15 1 0 14 16 1 0 14 17 1 0 10 18 1 0 18 19 1 0 18 20 1 0 18 21 1 0 9 22 1 0 22 23 1 0 22 24 1 0 22 25 1 0 8 26 1 0 26 27 1 0 26 28 1 0 26 29 1 0 7 30 1 0 30 31 1 0 30 32 1 0 30 33 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 14 15 16 17 M SBL 1 1 14 M SMT 1 TMS M SCL 1 M SBV 1 14 -0.0000 -0.8221 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 18 19 20 21 M SBL 2 1 18 M SMT 2 ^TMS M SCL 2 M SBV 2 18 0.7120 -0.4111 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 4 22 23 24 25 M SBL 3 1 22 M SMT 3 ^TMS M SCL 3 M SBV 3 22 0.7120 0.4111 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 4 26 27 28 29 M SBL 4 1 26 M SMT 4 TMS M SCL 4 M SBV 4 26 0.0000 0.8221 M STY 1 5 SUP M SLB 1 5 5 M SAL 5 4 30 31 32 33 M SBL 5 1 30 M SMT 5 TMS M SCL 5 M SBV 5 30 -0.7120 0.4111 M END