Hi JP, The carbon in question is planar in the 3D structure (or at least very close to planar); this makes it impossible to assign stereochemistry to it.
-greg On Wed, Dec 7, 2011 at 3:57 PM, JP <[email protected]> wrote: > 1q6r_LX1_1_B_9301__F___ > -ISIS- 3D > Created by: Ligand Depot > 13 12 0 0 0 0 0 0 0 0 0 > 40.7470 4.7140 13.2080 O 0 0 0 0 0 > 40.8090 5.1440 11.6320 P 0 0 0 0 0 > 41.5820 4.1140 10.7090 O 0 0 0 0 0 > 39.2960 5.3700 11.1140 O 0 0 0 0 0 > 41.5340 6.7450 11.2760 O 0 0 0 0 0 > 41.0300 7.8890 11.9210 C 0 0 0 0 0 > 41.9250 8.2720 13.0860 C 0 0 0 0 0 > 41.3150 9.4640 13.5990 O 0 0 0 0 0 > 43.4030 8.4270 12.7750 C 0 0 0 0 0 > 43.6880 9.3100 11.6630 O 0 0 0 0 0 > 44.0970 8.9680 14.0190 C 0 0 0 0 0 > 44.4830 10.1450 14.1600 O 0 0 0 0 0 > 44.2970 7.9470 15.0230 C 0 0 0 0 0 > 1 2 1 0 0 0 > 2 3 2 0 0 0 > 2 4 1 0 0 0 > 2 5 1 0 0 0 > 5 6 1 0 0 0 > 6 7 1 0 0 0 > 7 8 1 0 0 0 > 7 9 1 0 0 0 > 9 10 1 0 0 0 > 9 11 1 0 0 0 > 11 12 1 0 0 0 > 11 13 1 0 0 0 > M END ------------------------------------------------------------------------------ Cloud Services Checklist: Pricing and Packaging Optimization This white paper is intended to serve as a reference, checklist and point of discussion for anyone considering optimizing the pricing and packaging model of a cloud services business. Read Now! http://www.accelacomm.com/jaw/sfnl/114/51491232/ _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
