public static void writeatominfotoscreen(OBAtom a)
{
Console.WriteLine("atomtype: " + a.GetAtomType() + " id " + a.GetIdx() + " index " + a.GetIndex() +
" CIdx" + a.GetCIdx() + " title" + a.GetTitle() + " hash" + a.GetHashCode());
var ddd = OpenBabel.OBBuilder.GetNewBondVector(a);
string foobar = ddd.GetX() + " " + ddd.GetY() + " " + ddd.GetZ();
Console.WriteLine(foobar);
}