Hexanoic acid (1TMS) http://gmd-dev.mpimp-golm.mpg.de/search.aspx?query=a6337096-5350-4806-85f4-b5a7ea9388bf 12 11 0 0 0 0 0 0 0 0999 V2000 0.7170 -0.0558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.0558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4265 -0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -0.0558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 -0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 0.7692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4314 -0.4683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.0572 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.7323 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8554 0.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5545 -0.7692 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 7 2 0 1 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 9 12 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 9 10 11 12 M SBL 1 1 8 M SMT 1 TMS M SCL 1 M SBV 1 8 -0.7120 -0.4111 M END