Cellobiitol (9TMS) http://gmd-dev.mpimp-golm.mpg.de/search.aspx?query=fa3cc903-10c7-41a2-8abe-f1b2f697764a 59 59 0 0 0 0 0 0 0 0999 V2000 3.2151 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0692 2.6798 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.7812 3.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6582 3.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4803 1.9678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4982 1.0327 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -3.2102 0.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9092 1.7447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0871 0.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9271 1.4423 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 3.5160 2.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6391 1.8534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3382 0.7303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0692 -1.0327 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.6582 -0.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7812 -0.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4803 -1.7447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3597 -2.6798 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 -3.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0514 -1.9678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3523 -3.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4982 -0.2048 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 2.0871 -0.9168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9092 0.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2102 -0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9271 0.2048 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -4.6391 0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5160 0.9168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3382 -0.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7837 2.6798 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.3726 3.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4957 3.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1948 1.9678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2126 -1.0327 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -3.9246 -0.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8016 -0.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6237 -1.7447 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 6 3 5 1 0 5 6 1 6 5 7 1 0 7 8 1 6 7 9 1 0 9 10 1 1 9 11 1 0 11 12 1 0 13 14 1 0 14 15 1 6 14 16 1 0 16 17 1 1 16 18 1 0 18 19 1 6 18 20 1 0 20 21 1 0 20 22 1 1 22 23 1 0 13 21 1 0 13 8 1 1 10 24 1 0 24 25 1 0 24 26 1 0 24 27 1 0 12 28 1 0 28 29 1 0 28 30 1 0 28 31 1 0 1 32 1 0 32 33 1 0 32 34 1 0 32 35 1 0 15 36 1 0 36 37 1 0 36 38 1 0 36 39 1 0 17 40 1 0 40 41 1 0 40 42 1 0 40 43 1 0 4 44 1 0 44 45 1 0 44 46 1 0 44 47 1 0 23 48 1 0 48 49 1 0 48 50 1 0 48 51 1 0 6 52 1 0 52 53 1 0 52 54 1 0 52 55 1 0 19 56 1 0 56 57 1 0 56 58 1 0 56 59 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 24 25 26 27 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 28 29 30 31 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 32 33 34 35 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 36 37 38 39 M SBL 4 1 36 M SMT 4 TMS M SCL 4 M SBV 4 36 -0.7120 -0.4111 M STY 1 5 SUP M SLB 1 5 5 M SAL 5 4 40 41 42 43 M SBL 5 1 40 M SMT 5 TMS M SCL 5 M SBV 5 40 -0.7120 0.4111 M STY 1 6 SUP M SLB 1 6 6 M SAL 6 4 44 45 46 47 M SBL 6 1 44 M SMT 6 TMS M SCL 6 M SBV 6 44 -0.7120 0.4111 M STY 1 7 SUP M SLB 1 7 7 M SAL 7 4 48 49 50 51 M SBL 7 1 48 M SMT 7 ^TMS M SCL 7 M SBV 7 48 0.7120 -0.4111 M STY 1 8 SUP M SLB 1 8 8 M SAL 8 4 52 53 54 55 M SBL 8 1 52 M SMT 8 TMS M SCL 8 M SBV 8 52 -0.7120 -0.4111 M STY 1 9 SUP M SLB 1 9 9 M SAL 9 4 56 57 58 59 M SBL 9 1 56 M SMT 9 ^TMS M SCL 9 M SBV 9 56 0.7120 -0.4111 M END