%VERSION VERSION_STAMP = V0001.000 DATE = 04/28/22 23:05:06 %FLAG TITLE %FORMAT(20a4) SLV %FLAG POINTERS %FORMAT(10I8) 3 2 2 0 1 0 0 0 0 0 4 1 0 0 0 1 1 0 2 0 0 0 0 0 0 0 0 0 3 0 0 %FLAG ATOM_NAME %FORMAT(20a4) O H H1 %FLAG CHARGE %FORMAT(5E16.8) -1.30262256E+01 6.51311278E+00 6.51311280E+00 %FLAG ATOMIC_NUMBER %FORMAT(10I8) 8 1 1 %FLAG MASS %FORMAT(5E16.8) 1.60000000E+01 1.00800000E+00 1.00800000E+00 %FLAG ATOM_TYPE_INDEX %FORMAT(10I8) 1 2 2 %FLAG NUMBER_EXCLUDED_ATOMS %FORMAT(10I8) 2 1 1 %FLAG NONBONDED_PARM_INDEX %FORMAT(10I8) 1 2 2 3 %FLAG RESIDUE_LABEL %FORMAT(20a4) SLV %FLAG RESIDUE_POINTER %FORMAT(10I8) 1 %FLAG BOND_FORCE_CONSTANT %FORMAT(5E16.8) 3.71400000E+02 %FLAG BOND_EQUIL_VALUE %FORMAT(5E16.8) 9.73000000E-01 %FLAG ANGLE_FORCE_CONSTANT %FORMAT(5E16.8) 4.16000000E+01 %FLAG ANGLE_EQUIL_VALUE %FORMAT(5E16.8) 1.85860192E+00 %FLAG DIHEDRAL_FORCE_CONSTANT %FORMAT(5E16.8) %FLAG DIHEDRAL_PERIODICITY %FORMAT(5E16.8) %FLAG DIHEDRAL_PHASE %FORMAT(5E16.8) %FLAG SCEE_SCALE_FACTOR %FORMAT(5E16.8) %FLAG SCNB_SCALE_FACTOR %FORMAT(5E16.8) %FLAG SOLTY %FORMAT(5E16.8) 0.00000000E+00 0.00000000E+00 %FLAG LENNARD_JONES_ACOEF %FORMAT(5E16.8) 5.81803229E+05 0.00000000E+00 0.00000000E+00 %FLAG LENNARD_JONES_BCOEF %FORMAT(5E16.8) 6.99746810E+02 0.00000000E+00 0.00000000E+00 %FLAG BONDS_INC_HYDROGEN %FORMAT(10I8) 0 3 1 0 6 1 %FLAG BONDS_WITHOUT_HYDROGEN %FORMAT(10I8) %FLAG ANGLES_INC_HYDROGEN %FORMAT(10I8) 3 0 6 1 %FLAG ANGLES_WITHOUT_HYDROGEN %FORMAT(10I8) %FLAG DIHEDRALS_INC_HYDROGEN %FORMAT(10I8) %FLAG DIHEDRALS_WITHOUT_HYDROGEN %FORMAT(10I8) %FLAG EXCLUDED_ATOMS_LIST %FORMAT(10I8) 2 3 3 0 %FLAG HBOND_ACOEF %FORMAT(5E16.8) %FLAG HBOND_BCOEF %FORMAT(5E16.8) %FLAG HBCUT %FORMAT(5E16.8) %FLAG AMBER_ATOM_TYPE %FORMAT(20a4) oh ho ho %FLAG TREE_CHAIN_CLASSIFICATION %FORMAT(20a4) BLA BLA BLA %FLAG JOIN_ARRAY %FORMAT(10I8) 0 0 0 %FLAG IROTAT %FORMAT(10I8) 0 0 0 %FLAG RADIUS_SET %FORMAT(1a80) modified Bondi radii (mbondi) %FLAG RADII %FORMAT(5E16.8) 1.50000000E+00 8.00000000E-01 8.00000000E-01 %FLAG SCREEN %FORMAT(5E16.8) 8.50000000E-01 8.50000000E-01 8.50000000E-01 %FLAG IPOL %FORMAT(1I8) 0