Gulonic acid-1,4-lactone (4TMS) http://gmd-dev.mpimp-golm.mpg.de/search.aspx?query=4c15a65d-b426-457d-8309-0146981ed07f 28 28 0 0 0 0 0 0 0 0999 V2000 -1.1428 -0.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1428 0.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8102 0.6296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3582 0.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1032 1.1842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1267 -0.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9517 -0.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3642 -0.9823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3642 0.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8102 -1.1652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3582 -0.9353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1892 0.4467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9532 -1.6943 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.5421 -2.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2412 -1.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6651 -2.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6003 1.1587 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.8883 1.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0114 1.8707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3123 0.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6532 1.7952 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.2033 2.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0422 2.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2642 1.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5612 0.2952 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -3.3123 -0.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8956 1.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2268 -0.4558 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 0 7 8 1 1 7 9 1 0 1 10 2 0 1 11 1 0 6 11 1 6 9 12 1 0 8 13 1 0 13 14 1 0 13 15 1 0 13 16 1 0 12 17 1 0 17 18 1 0 17 19 1 0 17 20 1 0 5 21 1 0 21 22 1 0 21 23 1 0 21 24 1 0 3 25 1 0 25 26 1 0 25 27 1 0 25 28 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 13 14 15 16 M SBL 1 1 13 M SMT 1 ^TMS M SCL 1 M SBV 1 13 0.4111 0.7120 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 17 18 19 20 M SBL 2 1 17 M SMT 2 TMS M SCL 2 M SBV 2 17 -0.4111 -0.7120 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 4 21 22 23 24 M SBL 3 1 21 M SMT 3 ^TMS M SCL 3 M SBV 3 21 0.5501 -0.6110 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 4 25 26 27 28 M SBL 4 1 25 M SMT 4 ^TMS M SCL 4 M SBV 4 25 0.7511 0.3344 M END