#include <algorithm>
#include <vector>
#include <string>
#include <cstring>
#include <iostream>
#include <fstream>
namespace OpenBabel {
// symmetry
string spacegroup;
string pointgroup;
vector <double[12]> rotTransVector;
vector <double[9]> rotVector;
// angle
vector <pair <vector<OBAtom*>, double> > angleVector;
#include "extable.h"
#include <strstream>
#include <cstdlib>
using namespace std;