Nivalenol (4TMS) http://gmd-dev.mpimp-golm.mpg.de/search.aspx?query=72ef0309-cda2-49d5-ba34-4e7ac4808f8f 39 42 0 0 0 0 0 0 0 0999 V2000 1.0013 0.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6434 -0.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1609 -0.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3445 -1.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8059 0.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8059 -1.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5204 -0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2349 0.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2349 1.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5204 1.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8059 1.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8059 1.9120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1609 1.6014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6434 1.4178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7225 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5452 0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9493 1.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9493 -0.1505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5204 -1.4704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5204 -0.9755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1578 -0.7138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8263 0.6745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1869 -0.3319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2324 -1.0592 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -2.9443 -0.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8212 -0.3473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6435 -1.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2324 -1.3865 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -2.9444 -1.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6435 -0.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8214 -2.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9707 -0.5913 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.8482 0.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7837 -0.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0932 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2373 1.3865 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.5253 1.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6484 2.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9493 0.9755 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 1 3 5 1 0 5 6 1 6 5 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 6 5 11 1 0 11 13 1 0 13 14 1 6 1 14 1 0 14 15 1 0 3 15 1 0 15 16 1 1 9 17 1 0 8 18 2 0 6 19 1 0 7 20 1 6 2 21 1 1 1 22 1 6 15 23 1 6 16 23 1 0 19 24 1 0 24 25 1 0 24 26 1 0 24 27 1 0 20 28 1 0 28 29 1 0 28 30 1 0 28 31 1 0 21 32 1 0 32 33 1 0 32 34 1 0 32 35 1 0 22 36 1 0 36 37 1 0 36 38 1 0 36 39 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 24 25 26 27 M SBL 1 1 27 M SMT 1 ^TMS M SCL 1 M SBV 1 27 0.7119 -0.4112 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 28 29 30 31 M SBL 2 1 31 M SMT 2 ^TMS M SCL 2 M SBV 2 31 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 35 M SMT 3 TMS M SCL 3 M SBV 3 35 -0.8130 -0.1225 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 4 36 37 38 39 M SBL 4 1 39 M SMT 4 TMS M SCL 4 M SBV 4 39 -0.4111 -0.7120 M END