Orotic acid, 4,5-dihydro- (3TMS) http://gmd-dev.mpimp-golm.mpg.de/search.aspx?query=c15940a9-9f78-4c3e-97e1-5e79abc84139 23 23 0 0 0 0 0 0 0 0999 V2000 -1.0717 0.2615 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.9760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -1.8010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.5635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.4990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.9760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -1.8010 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -2.6112 -1.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9612 -1.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -2.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.9115 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.0553 2.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 2.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7697 1.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.2615 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6112 0.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9612 0.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 1 6 1 0 7 8 2 0 7 9 1 0 4 7 1 0 6 10 1 0 2 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 12 15 1 0 10 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 9 20 1 0 20 21 1 0 20 22 1 0 20 23 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 12 13 14 15 M SBL 1 1 12 M SMT 1 TMS M SCL 1 M SBV 1 12 0.0000 0.8250 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 16 17 18 19 M SBL 2 1 16 M SMT 2 TMS M SCL 2 M SBV 2 16 -0.7145 -0.4125 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 4 20 21 22 23 M SBL 3 1 20 M SMT 3 TMS M SCL 3 M SBV 3 20 0.0000 -0.8250 M END 23 23 0 0 0 0 0 0 0 0999 V2000 -1.4289 -0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8221 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.0596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.5366 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1077 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -0.4139 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.7299 -1.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5520 0.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8529 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 1.2332 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -2.8529 1.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7299 1.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5520 0.5212 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 0 4 5 1 0 5 6 1 0 1 6 1 0 7 8 2 0 7 9 1 0 3 7 1 1 5 10 2 0 1 11 2 0 2 12 1 0 12 13 1 0 12 14 1 0 12 15 1 0 9 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 6 20 1 0 20 21 1 0 20 22 1 0 20 23 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 12 13 14 15 M SBL 1 1 12 M SMT 1 TMS M SCL 1 M SBV 1 12 0.0000 0.8221 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 16 17 18 19 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 20 21 22 23 M SBL 3 1 20 M SMT 3 ^TMS M SCL 3 M SBV 3 20 0.7120 -0.4111 M END