%VERSION VERSION_STAMP = V0001.000 DATE = 03/04/09 10:55:37 %FLAG TITLE %FORMAT(20a4) %FLAG POINTERS %FORMAT(10I8) 10 2 0 8 0 12 0 0 0 0 22 2 8 12 0 1 1 0 2 0 0 0 0 0 0 0 0 0 5 0 0 %FLAG ATOM_NAME %FORMAT(20a4) Cl C Cl2 Cl3 Cl1 Cl C Cl2 Cl3 Cl1 %FLAG CHARGE %FORMAT(5E16.8) -1.47855742E+00 5.91149634E+00 -1.47746408E+00 -1.47837520E+00 -1.47709964E+00 -1.47855742E+00 5.91149634E+00 -1.47746408E+00 -1.47837520E+00 -1.47709964E+00 %FLAG MASS %FORMAT(5E16.8) 3.54500000E+01 1.20100000E+01 3.54500000E+01 3.54500000E+01 3.54500000E+01 3.54500000E+01 1.20100000E+01 3.54500000E+01 3.54500000E+01 3.54500000E+01 %FLAG ATOM_TYPE_INDEX %FORMAT(10I8) 1 2 1 1 1 1 2 1 1 1 %FLAG NUMBER_EXCLUDED_ATOMS %FORMAT(10I8) 4 3 2 1 1 4 3 2 1 1 %FLAG NONBONDED_PARM_INDEX %FORMAT(10I8) 1 2 2 3 %FLAG RESIDUE_LABEL %FORMAT(20a4) UNK UNK %FLAG RESIDUE_POINTER %FORMAT(10I8) 1 6 %FLAG BOND_FORCE_CONSTANT %FORMAT(5E16.8) 2.79000000E+02 %FLAG BOND_EQUIL_VALUE %FORMAT(5E16.8) 1.78600000E+00 %FLAG ANGLE_FORCE_CONSTANT %FORMAT(5E16.8) 5.42000000E+01 %FLAG ANGLE_EQUIL_VALUE %FORMAT(5E16.8) 1.93783990E+00 %FLAG DIHEDRAL_FORCE_CONSTANT %FORMAT(5E16.8) %FLAG DIHEDRAL_PERIODICITY %FORMAT(5E16.8) %FLAG DIHEDRAL_PHASE %FORMAT(5E16.8) %FLAG SOLTY %FORMAT(5E16.8) 0.00000000E+00 0.00000000E+00 %FLAG LENNARD_JONES_ACOEF %FORMAT(5E16.8) 3.24095688E+06 1.83982239E+06 1.04308023E+06 %FLAG LENNARD_JONES_BCOEF %FORMAT(5E16.8) 1.85348706E+03 1.11939599E+03 6.75612247E+02 %FLAG BONDS_INC_HYDROGEN %FORMAT(10I8) %FLAG BONDS_WITHOUT_HYDROGEN %FORMAT(10I8) 3 6 1 3 9 1 3 12 1 0 3 1 18 21 1 18 24 1 18 27 1 15 18 1 %FLAG ANGLES_INC_HYDROGEN %FORMAT(10I8) %FLAG ANGLES_WITHOUT_HYDROGEN %FORMAT(10I8) 9 3 12 1 6 3 9 1 6 3 12 1 0 3 6 1 0 3 9 1 0 3 12 1 24 18 27 1 21 18 24 1 21 18 27 1 15 18 21 1 15 18 24 1 15 18 27 1 %FLAG DIHEDRALS_INC_HYDROGEN %FORMAT(10I8) %FLAG DIHEDRALS_WITHOUT_HYDROGEN %FORMAT(10I8) %FLAG EXCLUDED_ATOMS_LIST %FORMAT(10I8) 2 3 4 5 3 4 5 4 5 5 0 7 8 9 10 8 9 10 9 10 10 0 %FLAG HBOND_ACOEF %FORMAT(5E16.8) %FLAG HBOND_BCOEF %FORMAT(5E16.8) %FLAG HBCUT %FORMAT(5E16.8) %FLAG AMBER_ATOM_TYPE %FORMAT(20a4) cl c3 cl cl cl cl c3 cl cl cl %FLAG TREE_CHAIN_CLASSIFICATION %FORMAT(20a4) M M E E M M M E E M %FLAG JOIN_ARRAY %FORMAT(10I8) 0 0 0 0 0 0 0 0 0 0 %FLAG IROTAT %FORMAT(10I8) 0 0 0 0 0 0 0 0 0 0 %FLAG RADIUS_SET %FORMAT(1a80) modified Bondi radii (mbondi) %FLAG RADII %FORMAT(5E16.8) 1.70000000E+00 1.70000000E+00 1.70000000E+00 1.70000000E+00 1.70000000E+00 1.70000000E+00 1.70000000E+00 1.70000000E+00 1.70000000E+00 1.70000000E+00 %FLAG SCREEN %FORMAT(5E16.8) 8.00000000E-01 7.20000000E-01 8.00000000E-01 8.00000000E-01 8.00000000E-01 8.00000000E-01 7.20000000E-01 8.00000000E-01 8.00000000E-01 8.00000000E-01