Benzoic acid, 3,4-dihydroxy- (3TMS) http://gmd-dev.mpimp-golm.mpg.de/search.aspx?query=79e88e8b-5e5a-4775-a5e5-ed446a2b546a 23 23 0 0 0 0 0 0 0 0999 V2000 1.0717 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 1.6471 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 2.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6083 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -1.6471 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -2.6083 -1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 -1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -2.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.4096 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.9640 -0.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6083 -0.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -1.2318 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 1 9 1 0 5 10 1 0 4 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 12 15 1 0 10 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 9 20 1 0 20 21 1 0 20 22 1 0 20 23 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 12 13 14 15 M SBL 1 1 12 M SMT 1 TMS M SCL 1 M SBV 1 12 0.0000 -0.8221 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 16 17 18 19 M SBL 2 1 16 M SMT 2 TMS M SCL 2 M SBV 2 16 0.0000 0.8221 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 4 20 21 22 23 M SBL 3 1 20 M SMT 3 TMS M SCL 3 M SBV 3 20 0.0000 0.8221 M END