Neoabietic acid (1TMS) http://gmd-dev.mpimp-golm.mpg.de/search.aspx?query=bde26303-1ec5-4cf6-9782-75bf429afb1d 27 29 0 0 0 0 0 0 0 0999 V2000 -1.0742 -1.9120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0742 -1.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3597 -1.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3597 -0.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3597 0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3548 0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3548 1.3880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0692 1.8005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7837 1.3880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4982 1.8005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4982 2.6255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2126 1.3880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7837 0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3548 -0.2620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0692 0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0692 -0.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3548 -1.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0742 0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7887 0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7887 -0.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3597 0.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3597 -2.3245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7887 -2.3245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -1.9135 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 -3.2126 -1.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0896 -1.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9117 -2.6255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 1 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 9 13 1 0 6 14 1 1 6 15 1 0 13 15 2 0 15 16 1 0 16 17 1 0 4 17 1 0 5 18 1 0 18 19 1 0 19 20 1 0 2 20 1 0 5 21 1 1 1 22 2 0 1 23 1 0 23 24 1 0 24 25 1 0 24 26 1 0 24 27 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 24 25 26 27 M SBL 1 1 26 M SMT 1 ^TMS M SCL 1 M SBV 1 26 0.7120 -0.4111 M END