Epicatechin (5TMS) http://gmd-dev.mpimp-golm.mpg.de/search.aspx?query=c3605fb5-b63f-4d6f-8906-d1f1d5418c8f 41 43 0 0 0 0 0 0 0 0999 V2000 0.3572 -0.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.3581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -0.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -0.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -1.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.2919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -2.1169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 0.3581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 1.1831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 1.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.1831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 1.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -0.0544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7837 -0.8808 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.3726 -0.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4957 -0.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1948 -1.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9271 -0.0529 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -4.6391 -0.4640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3382 0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5160 -0.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9271 0.3567 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 3.5160 1.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6391 0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3382 -0.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 2.4178 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 2.3930 2.4178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 3.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0373 2.4178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0742 -2.5279 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.4853 -3.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6631 -1.8159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3622 -2.9390 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 7 8 1 0 8 9 2 0 9 10 1 0 4 10 2 0 5 7 2 0 2 11 1 6 10 12 1 0 8 13 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 14 19 2 0 17 20 1 0 16 21 1 0 1 14 1 6 11 22 1 0 22 23 1 0 22 24 1 0 22 25 1 0 13 26 1 0 26 27 1 0 26 28 1 0 26 29 1 0 21 30 1 0 30 31 1 0 30 32 1 0 30 33 1 0 20 34 1 0 34 35 1 0 34 36 1 0 34 37 1 0 12 38 1 0 38 39 1 0 38 40 1 0 38 41 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 22 23 24 25 M SBL 1 1 24 M SMT 1 TMS M SCL 1 M SBV 1 24 -0.7120 -0.4111 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 26 27 28 29 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 30 31 32 33 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 34 35 36 37 M SBL 4 1 36 M SMT 4 TMS M SCL 4 M SBV 4 36 0.0000 -0.8221 M STY 1 5 SUP M SLB 1 5 5 M SAL 5 4 38 39 40 41 M SBL 5 1 40 M SMT 5 TMS M SCL 5 M SBV 5 40 -0.7120 0.4111 M END