Gulonic acid (6TMS) http://gmd-dev.mpimp-golm.mpg.de/search.aspx?query=ffcc7b49-5d41-4f7b-aba3-0844d450ca1a 37 36 0 0 0 0 0 0 0 0999 V2000 -1.2918 -0.3571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8793 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2918 1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0544 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3581 1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3582 -0.3571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0544 -1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1831 -0.3571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5956 -1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5957 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1831 1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8793 -1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1168 -0.3571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1168 1.0717 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -2.9390 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1168 1.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1168 0.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4177 -1.0716 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 2.4177 -1.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4177 -0.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2399 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7665 1.6551 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.1851 2.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3478 2.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3478 1.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5279 -1.0691 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -2.9389 -1.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2399 -0.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8159 -1.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3566 -1.7837 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.3554 -2.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0687 -1.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7676 -2.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0530 1.7837 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.4640 2.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 2.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7649 1.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 6 2 4 1 0 4 5 1 6 4 6 1 0 6 7 1 6 6 8 1 0 8 9 1 1 8 10 1 0 10 11 1 0 1 12 2 0 1 13 1 0 3 14 1 0 14 15 1 0 14 16 1 0 14 17 1 0 9 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 13 26 1 0 26 27 1 0 26 28 1 0 26 29 1 0 7 30 1 0 30 31 1 0 30 32 1 0 30 33 1 0 5 34 1 0 34 35 1 0 34 36 1 0 34 37 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 14 15 16 17 M SBL 1 1 13 M SMT 1 ^TMS M SCL 1 M SBV 1 13 0.8250 0.0000 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 18 19 20 21 M SBL 2 1 17 M SMT 2 TMS M SCL 2 M SBV 2 17 -0.8221 0.0000 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 4 22 23 24 25 M SBL 3 1 21 M SMT 3 TMS M SCL 3 M SBV 3 21 -0.5834 -0.5834 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 4 26 27 28 29 M SBL 4 1 25 M SMT 4 ^TMS M SCL 4 M SBV 4 25 0.4111 0.7120 M STY 1 5 SUP M SLB 1 5 5 M SAL 5 4 30 31 32 33 M SBL 5 1 29 M SMT 5 TMS M SCL 5 M SBV 5 29 -0.4110 0.7120 M STY 1 6 SUP M SLB 1 6 6 M SAL 6 4 34 35 36 37 M SBL 6 1 33 M SMT 6 ^TMS M SCL 6 M SBV 6 33 0.4111 -0.7120 M END