3,4-Dihydroxyhydrocinnamic acid (3TMS) http://gmd-dev.mpimp-golm.mpg.de/search.aspx?query=c26a41bc-aa7c-4c45-8718-f582679dbfec 25 25 0 0 0 0 0 0 0 0999 V2000 1.7862 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 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 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -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 1.7862 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 1.6500 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -3.3256 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6756 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -1.6500 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -3.3256 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6756 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -0.4125 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.6756 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3256 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 -1.2375 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 2 0 6 7 1 0 7 8 2 0 8 9 1 0 4 9 2 0 1 10 2 0 1 11 1 0 7 12 1 0 6 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 14 17 1 0 12 18 1 0 18 19 1 0 18 20 1 0 18 21 1 0 11 22 1 0 22 23 1 0 22 24 1 0 22 25 1 0 M END