From: Egon Willighagen <egon.willighagen@gm...>  20070928 14:01:31

On 9/28/07, Rajarshi Guha <rguha@...> wrote: > On Sep 28, 2007, at 9:44 AM, Egon Willighagen wrote: > > Just add it, but please come up with accurate values for: > > > >  #neighbors > >  #hydrization state > >  #lone pair count > >  #number of pi bonds > > I thought of adding it, but I'm not sure I have accurate values for > the above items. > > It has a 6s^26p^4 configuration, so I assume that it would have > valence states of 2 and 4. So, that would be at least two atom types. These things are difficult indeed... I ran yesterday (or Wednesday) into a 3center2electron bonding system (borane) :( No idea yet how I like to work that out... The joys of chemoinformatics ... Egon   http://chemblaics.blogspot.com/ 