Salicylaldehyde-beta-D-glucopyranoside (1MEOX) (4TMS) MP http://gmd-dev.mpimp-golm.mpg.de/search.aspx?query=c246177d-dd26-4e55-b984-7cf5369a12eb 38 39 0 0 0 0 0 0 0 0999 V2000 2.4994 1.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 0.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -0.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 -1.0863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2139 -0.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2139 0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2139 1.8012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 0.5637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -0.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.0863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 -1.0863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 -1.9113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 -0.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7874 -1.0863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 0.5637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7874 0.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5019 0.1512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2139 2.6233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9259 3.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.9085 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.2483 -1.9085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8926 -1.9085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -2.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2139 0.5622 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -3.9259 0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8028 1.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6249 -0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4994 -0.6753 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -3.2114 -0.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0883 0.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9105 -1.3872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -2.3224 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -2.7335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4815 -1.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6594 -3.0344 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 2 0 4 5 1 0 5 6 2 0 6 7 1 0 2 7 2 0 1 8 2 0 10 11 1 0 11 12 1 6 11 13 1 0 13 14 1 1 13 15 1 0 15 16 1 6 15 17 1 0 17 18 1 0 17 19 1 1 19 20 1 0 10 18 1 0 10 9 1 1 3 9 1 0 8 21 1 0 21 22 1 0 12 23 1 0 23 24 1 0 23 25 1 0 23 26 1 0 20 27 1 0 27 28 1 0 27 29 1 0 27 30 1 0 16 31 1 0 31 32 1 0 31 33 1 0 31 34 1 0 14 35 1 0 35 36 1 0 35 37 1 0 35 38 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 23 24 25 26 M SBL 1 1 24 M SMT 1 TMS M SCL 1 M SBV 1 24 0.0000 0.8221 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 27 28 29 30 M SBL 2 1 28 M SMT 2 ^TMS M SCL 2 M SBV 2 28 0.7120 -0.4111 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 4 31 32 33 34 M SBL 3 1 32 M SMT 3 ^TMS M SCL 3 M SBV 3 32 0.7120 -0.4111 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 4 35 36 37 38 M SBL 4 1 36 M SMT 4 ^TMS M SCL 4 M SBV 4 36 0.7120 0.4111 M END