Aconitic acid, trans- (3TMS) http://gmd-dev.mpimp-golm.mpg.de/search.aspx?query=8b6148d6-267c-4040-8046-2024aec6287f 24 23 0 0 0 0 0 0 0 0999 V2000 1.0717 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.2063 0.0000 C 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 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -1.4438 0.0000 O 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 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7837 1.0327 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.3726 0.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1948 1.7447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4957 0.6216 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 -3.2102 0.6159 0.0000 C 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 2.4982 -1.0327 0.0000 Si 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 3.2102 -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 1 2 1 0 2 3 2 0 3 4 1 0 3 5 1 0 5 6 1 0 1 7 2 0 1 8 1 0 4 9 2 0 4 10 1 0 6 11 2 0 6 12 1 0 10 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 8 21 1 0 21 22 1 0 21 23 1 0 21 24 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 13 14 15 16 M SBL 1 1 12 M SMT 1 TMS M SCL 1 M SBV 1 12 -0.7120 0.4111 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 17 18 19 20 M SBL 2 1 16 M SMT 2 ^TMS M SCL 2 M SBV 2 16 0.7120 -0.4111 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 4 21 22 23 24 M SBL 3 1 20 M SMT 3 TMS M SCL 3 M SBV 3 20 -0.7120 -0.4111 M END