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1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 %FLAG ATOM_TYPE_INDEX %FORMAT(10I8) 1 2 3 1 2 3 2 4 4 4 4 5 4 4 6 5 7 7 7 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 %FLAG NUMBER_EXCLUDED_ATOMS %FORMAT(10I8) 8 10 11 9 10 8 5 3 2 1 1 2 2 1 1 3 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 %FLAG NONBONDED_PARM_INDEX %FORMAT(10I8) 1 2 4 7 11 16 22 29 37 2 3 5 8 12 17 23 30 38 4 5 6 9 13 18 24 31 39 7 8 9 10 14 19 25 32 40 11 12 13 14 15 20 26 33 41 16 17 18 19 20 21 27 34 42 22 23 24 25 26 27 28 35 43 29 30 31 32 33 34 35 36 -1 37 38 39 40 41 42 43 -1 45 %FLAG RESIDUE_LABEL %FORMAT(20a4) *** WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT %FLAG RESIDUE_POINTER %FORMAT(10I8) 1 20 23 26 29 32 35 38 41 44 47 50 53 56 59 62 65 68 71 74 77 80 83 86 89 92 95 98 101 104 107 110 113 116 119 122 125 128 131 134 137 140 143 146 149 152 155 158 161 164 167 170 173 176 179 182 185 188 191 194 197 200 203 206 209 212 215 218 221 224 227 230 233 236 239 242 245 248 251 254 257 260 263 266 269 272 275 278 281 284 287 290 293 296 299 302 305 308 311 314 317 320 323 326 329 332 335 338 341 344 347 350 353 356 359 362 365 368 371 374 377 380 383 386 389 392 395 398 401 404 407 410 413 416 419 422 425 428 431 434 437 440 443 446 449 452 455 458 461 464 467 470 473 476 479 482 485 488 491 494 497 500 503 506 509 512 515 518 521 524 527 530 533 536 539 542 545 548 551 554 557 560 563 566 569 572 575 578 581 584 587 590 593 596 599 602 605 608 611 614 617 620 623 626 629 632 635 638 641 644 647 650 653 656 659 662 665 668 671 674 677 680 683 686 689 692 695 698 701 704 707 710 713 716 719 722 725 728 731 734 737 740 743 746 749 752 755 758 761 764 767 770 773 776 779 782 785 788 791 794 797 800 803 806 809 812 815 818 821 824 827 830 833 836 839 842 845 848 851 854 857 860 863 866 869 872 875 878 881 884 887 890 893 896 899 902 905 908 911 914 917 920 923 926 929 932 935 938 941 944 947 950 953 956 959 962 965 968 971 974 977 980 983 986 989 992 995 998 1001 1004 1007 1010 1013 1016 1019 1022 1025 1028 1031 1034 1037 1040 1043 1046 1049 1052 1055 1058 1061 1064 1067 1070 1073 1076 1079 1082 1085 1088 1091 1094 1097 1100 1103 1106 1109 1112 1115 1118 1121 1124 1127 1130 1133 1136 1139 1142 1145 1148 1151 1154 1157 1160 1163 1166 1169 1172 1175 1178 1181 1184 1187 1190 1193 1196 1199 1202 1205 1208 1211 1214 1217 1220 1223 1226 1229 1232 1235 1238 1241 1244 1247 1250 1253 1256 1259 1262 1265 1268 1271 1274 1277 1280 1283 1286 1289 1292 1295 1298 1301 1304 1307 1310 1313 1316 1319 1322 1325 1328 1331 1334 1337 1340 1343 1346 1349 1352 1355 1358 1361 1364 1367 1370 1373 1376 1379 1382 1385 1388 1391 1394 1397 1400 1403 1406 1409 1412 1415 1418 1421 1424 1427 1430 1433 1436 1439 1442 1445 1448 1451 1454 1457 1460 1463 1466 1469 1472 1475 1478 1481 1484 1487 1490 1493 1496 1499 1502 1505 1508 1511 1514 1517 1520 1523 1526 1529 1532 1535 1538 1541 1544 1547 1550 1553 1556 1559 1562 1565 1568 1571 1574 1577 1580 1583 1586 1589 1592 1595 1598 1601 1604 1607 1610 1613 1616 1619 1622 1625 1628 1631 1634 1637 1640 1643 1646 1649 1652 1655 1658 1661 1664 1667 1670 1673 1676 1679 1682 1685 1688 1691 1694 1697 1700 1703 1706 1709 1712 1715 1718 1721 1724 1727 1730 1733 1736 1739 1742 1745 1748 1751 1754 1757 1760 1763 1766 1769 1772 1775 1778 1781 1784 1787 1790 1793 1796 1799 1802 1805 1808 1811 1814 1817 1820 1823 1826 1829 1832 1835 1838 1841 1844 1847 1850 1853 1856 1859 1862 1865 1868 1871 1874 1877 1880 1883 1886 1889 1892 1895 1898 1901 1904 1907 1910 1913 1916 1919 1922 1925 1928 1931 1934 1937 1940 1943 1946 1949 1952 %FLAG BOND_FORCE_CONSTANT %FORMAT(5E16.8) 5.00000000E+02 5.00000000E+02 5.00000000E+02 5.00000000E+02 5.00000000E+02 5.00000000E+02 5.00000000E+02 5.00000000E+02 5.00000000E+02 5.00000000E+02 5.00000000E+02 5.00000000E+02 5.00000000E+02 5.00000000E+02 5.00000000E+02 5.00000000E+02 5.00000000E+02 5.53000000E+02 5.53000000E+02 %FLAG BOND_EQUIL_VALUE %FORMAT(5E16.8) 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 9.57200000E-01 1.51360000E+00 %FLAG ANGLE_FORCE_CONSTANT %FORMAT(5E16.8) 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 %FLAG ANGLE_EQUIL_VALUE %FORMAT(5E16.8) 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 %FLAG DIHEDRAL_FORCE_CONSTANT %FORMAT(5E16.8) 1.70000000E+00 %FLAG DIHEDRAL_PERIODICITY %FORMAT(5E16.8) 2.00000000E+00 %FLAG DIHEDRAL_PHASE %FORMAT(5E16.8) 3.14159400E+00 %FLAG SCEE_SCALE_FACTOR %FORMAT(5E16.8) 1.20000000E+00 %FLAG SCNB_SCALE_FACTOR %FORMAT(5E16.8) 2.00000000E+00 %FLAG SOLTY %FORMAT(5E16.8) 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 %FLAG LENNARD_JONES_ACOEF %FORMAT(5E16.8) 1.04308023E+06 9.24822270E+05 8.19971662E+05 9.95480466E+05 8.82619071E+05 9.44293233E+05 6.78771368E+04 6.01816484E+04 6.20665997E+04 3.25969625E+03 6.47841731E+05 5.74393458E+05 6.06829342E+05 3.69471530E+04 3.79876399E+05 2.56678134E+03 2.27577561E+03 2.12601181E+03 5.94667300E+01 1.02595236E+03 1.39982777E-01 9.71708117E+04 8.61541883E+04 8.96776989E+04 4.98586848E+03 5.44261042E+04 1.07193646E+02 7.51607703E+03 7.85890042E+05 6.96790708E+05 7.42364908E+05 4.75728872E+04 4.72934643E+05 1.52094041E+03 6.91773368E+04 5.81935564E+05 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 %FLAG LENNARD_JONES_BCOEF %FORMAT(5E16.8) 6.75612247E+02 5.99015525E+02 5.31102864E+02 7.36907417E+02 6.53361429E+02 8.01323529E+02 1.06076943E+02 9.40505980E+01 1.13252061E+02 1.43076527E+01 6.26720080E+02 5.55666448E+02 6.77220874E+02 9.21192136E+01 5.64885984E+02 2.06278363E+01 1.82891803E+01 2.09604198E+01 1.93248820E+00 1.53505284E+01 9.37598976E-02 1.26919150E+02 1.12529845E+02 1.36131731E+02 1.76949863E+01 1.11805549E+02 2.59456373E+00 2.17257828E+01 6.36687196E+02 5.64503554E+02 6.90894667E+02 9.64152120E+01 5.81361517E+02 1.72393904E+01 1.16264660E+02 5.94825035E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 %FLAG BONDS_INC_HYDROGEN %FORMAT(10I8) 60 57 18 63 57 18 63 60 19 69 66 18 72 66 18 72 69 19 78 75 18 81 75 18 81 78 19 87 84 18 90 84 18 90 87 19 96 93 18 99 93 18 99 96 19 105 102 18 108 102 18 108 105 19 114 111 18 117 111 18 117 114 19 123 120 18 126 120 18 126 123 19 132 129 18 135 129 18 135 132 19 141 138 18 144 138 18 144 141 19 150 147 18 153 147 18 153 150 19 159 156 18 162 156 18 162 159 19 168 165 18 171 165 18 171 168 19 177 174 18 180 174 18 180 177 19 186 183 18 189 183 18 189 186 19 195 192 18 198 192 18 198 195 19 204 201 18 207 201 18 207 204 19 213 210 18 216 210 18 216 213 19 222 219 18 225 219 18 225 222 19 231 228 18 234 228 18 234 231 19 240 237 18 243 237 18 243 240 19 249 246 18 252 246 18 252 249 19 258 255 18 261 255 18 261 258 19 267 264 18 270 264 18 270 267 19 276 273 18 279 273 18 279 276 19 285 282 18 288 282 18 288 285 19 294 291 18 297 291 18 297 294 19 303 300 18 306 300 18 306 303 19 312 309 18 315 309 18 315 312 19 321 318 18 324 318 18 324 321 19 330 327 18 333 327 18 333 330 19 339 336 18 342 336 18 342 339 19 348 345 18 351 345 18 351 348 19 357 354 18 360 354 18 360 357 19 366 363 18 369 363 18 369 366 19 375 372 18 378 372 18 378 375 19 384 381 18 387 381 18 387 384 19 393 390 18 396 390 18 396 393 19 402 399 18 405 399 18 405 402 19 411 408 18 414 408 18 414 411 19 420 417 18 423 417 18 423 420 19 429 426 18 432 426 18 432 429 19 438 435 18 441 435 18 441 438 19 447 444 18 450 444 18 450 447 19 456 453 18 459 453 18 459 456 19 465 462 18 468 462 18 468 465 19 474 471 18 477 471 18 477 474 19 483 480 18 486 480 18 486 483 19 492 489 18 495 489 18 495 492 19 501 498 18 504 498 18 504 501 19 510 507 18 513 507 18 513 510 19 519 516 18 522 516 18 522 519 19 528 525 18 531 525 18 531 528 19 537 534 18 540 534 18 540 537 19 546 543 18 549 543 18 549 546 19 555 552 18 558 552 18 558 555 19 564 561 18 567 561 18 567 564 19 573 570 18 576 570 18 576 573 19 582 579 18 585 579 18 585 582 19 591 588 18 594 588 18 594 591 19 600 597 18 603 597 18 603 600 19 609 606 18 612 606 18 612 609 19 618 615 18 621 615 18 621 618 19 627 624 18 630 624 18 630 627 19 636 633 18 639 633 18 639 636 19 645 642 18 648 642 18 648 645 19 654 651 18 657 651 18 657 654 19 663 660 18 666 660 18 666 663 19 672 669 18 675 669 18 675 672 19 681 678 18 684 678 18 684 681 19 690 687 18 693 687 18 693 690 19 699 696 18 702 696 18 702 699 19 708 705 18 711 705 18 711 708 19 717 714 18 720 714 18 720 717 19 726 723 18 729 723 18 729 726 19 735 732 18 738 732 18 738 735 19 744 741 18 747 741 18 747 744 19 753 750 18 756 750 18 756 753 19 762 759 18 765 759 18 765 762 19 771 768 18 774 768 18 774 771 19 780 777 18 783 777 18 783 780 19 789 786 18 792 786 18 792 789 19 798 795 18 801 795 18 801 798 19 807 804 18 810 804 18 810 807 19 816 813 18 819 813 18 819 816 19 825 822 18 828 822 18 828 825 19 834 831 18 837 831 18 837 834 19 843 840 18 846 840 18 846 843 19 852 849 18 855 849 18 855 852 19 861 858 18 864 858 18 864 861 19 870 867 18 873 867 18 873 870 19 879 876 18 882 876 18 882 879 19 888 885 18 891 885 18 891 888 19 897 894 18 900 894 18 900 897 19 906 903 18 909 903 18 909 906 19 915 912 18 918 912 18 918 915 19 924 921 18 927 921 18 927 924 19 933 930 18 936 930 18 936 933 19 942 939 18 945 939 18 945 942 19 951 948 18 954 948 18 954 951 19 960 957 18 963 957 18 963 960 19 969 966 18 972 966 18 972 969 19 978 975 18 981 975 18 981 978 19 987 984 18 990 984 18 990 987 19 996 993 18 999 993 18 999 996 19 1005 1002 18 1008 1002 18 1008 1005 19 1014 1011 18 1017 1011 18 1017 1014 19 1023 1020 18 1026 1020 18 1026 1023 19 1032 1029 18 1035 1029 18 1035 1032 19 1041 1038 18 1044 1038 18 1044 1041 19 1050 1047 18 1053 1047 18 1053 1050 19 1059 1056 18 1062 1056 18 1062 1059 19 1068 1065 18 1071 1065 18 1071 1068 19 1077 1074 18 1080 1074 18 1080 1077 19 1086 1083 18 1089 1083 18 1089 1086 19 1095 1092 18 1098 1092 18 1098 1095 19 1104 1101 18 1107 1101 18 1107 1104 19 1113 1110 18 1116 1110 18 1116 1113 19 1122 1119 18 1125 1119 18 1125 1122 19 1131 1128 18 1134 1128 18 1134 1131 19 1140 1137 18 1143 1137 18 1143 1140 19 1149 1146 18 1152 1146 18 1152 1149 19 1158 1155 18 1161 1155 18 1161 1158 19 1167 1164 18 1170 1164 18 1170 1167 19 1176 1173 18 1179 1173 18 1179 1176 19 1185 1182 18 1188 1182 18 1188 1185 19 1194 1191 18 1197 1191 18 1197 1194 19 1203 1200 18 1206 1200 18 1206 1203 19 1212 1209 18 1215 1209 18 1215 1212 19 1221 1218 18 1224 1218 18 1224 1221 19 1230 1227 18 1233 1227 18 1233 1230 19 1239 1236 18 1242 1236 18 1242 1239 19 1248 1245 18 1251 1245 18 1251 1248 19 1257 1254 18 1260 1254 18 1260 1257 19 1266 1263 18 1269 1263 18 1269 1266 19 1275 1272 18 1278 1272 18 1278 1275 19 1284 1281 18 1287 1281 18 1287 1284 19 1293 1290 18 1296 1290 18 1296 1293 19 1302 1299 18 1305 1299 18 1305 1302 19 1311 1308 18 1314 1308 18 1314 1311 19 1320 1317 18 1323 1317 18 1323 1320 19 1329 1326 18 1332 1326 18 1332 1329 19 1338 1335 18 1341 1335 18 1341 1338 19 1347 1344 18 1350 1344 18 1350 1347 19 1356 1353 18 1359 1353 18 1359 1356 19 1365 1362 18 1368 1362 18 1368 1365 19 1374 1371 18 1377 1371 18 1377 1374 19 1383 1380 18 1386 1380 18 1386 1383 19 1392 1389 18 1395 1389 18 1395 1392 19 1401 1398 18 1404 1398 18 1404 1401 19 1410 1407 18 1413 1407 18 1413 1410 19 1419 1416 18 1422 1416 18 1422 1419 19 1428 1425 18 1431 1425 18 1431 1428 19 1437 1434 18 1440 1434 18 1440 1437 19 1446 1443 18 1449 1443 18 1449 1446 19 1455 1452 18 1458 1452 18 1458 1455 19 1464 1461 18 1467 1461 18 1467 1464 19 1473 1470 18 1476 1470 18 1476 1473 19 1482 1479 18 1485 1479 18 1485 1482 19 1491 1488 18 1494 1488 18 1494 1491 19 1500 1497 18 1503 1497 18 1503 1500 19 1509 1506 18 1512 1506 18 1512 1509 19 1518 1515 18 1521 1515 18 1521 1518 19 1527 1524 18 1530 1524 18 1530 1527 19 1536 1533 18 1539 1533 18 1539 1536 19 1545 1542 18 1548 1542 18 1548 1545 19 1554 1551 18 1557 1551 18 1557 1554 19 1563 1560 18 1566 1560 18 1566 1563 19 1572 1569 18 1575 1569 18 1575 1572 19 1581 1578 18 1584 1578 18 1584 1581 19 1590 1587 18 1593 1587 18 1593 1590 19 1599 1596 18 1602 1596 18 1602 1599 19 1608 1605 18 1611 1605 18 1611 1608 19 1617 1614 18 1620 1614 18 1620 1617 19 1626 1623 18 1629 1623 18 1629 1626 19 1635 1632 18 1638 1632 18 1638 1635 19 1644 1641 18 1647 1641 18 1647 1644 19 1653 1650 18 1656 1650 18 1656 1653 19 1662 1659 18 1665 1659 18 1665 1662 19 1671 1668 18 1674 1668 18 1674 1671 19 1680 1677 18 1683 1677 18 1683 1680 19 1689 1686 18 1692 1686 18 1692 1689 19 1698 1695 18 1701 1695 18 1701 1698 19 1707 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1932 19 1941 1938 18 1944 1938 18 1944 1941 19 1950 1947 18 1953 1947 18 1953 1950 19 1959 1956 18 1962 1956 18 1962 1959 19 1968 1965 18 1971 1965 18 1971 1968 19 1977 1974 18 1980 1974 18 1980 1977 19 1986 1983 18 1989 1983 18 1989 1986 19 1995 1992 18 1998 1992 18 1998 1995 19 2004 2001 18 2007 2001 18 2007 2004 19 2013 2010 18 2016 2010 18 2016 2013 19 2022 2019 18 2025 2019 18 2025 2022 19 2031 2028 18 2034 2028 18 2034 2031 19 2040 2037 18 2043 2037 18 2043 2040 19 2049 2046 18 2052 2046 18 2052 2049 19 2058 2055 18 2061 2055 18 2061 2058 19 2067 2064 18 2070 2064 18 2070 2067 19 2076 2073 18 2079 2073 18 2079 2076 19 2085 2082 18 2088 2082 18 2088 2085 19 2094 2091 18 2097 2091 18 2097 2094 19 2103 2100 18 2106 2100 18 2106 2103 19 2112 2109 18 2115 2109 18 2115 2112 19 2121 2118 18 2124 2118 18 2124 2121 19 2130 2127 18 2133 2127 18 2133 2130 19 2139 2136 18 2142 2136 18 2142 2139 19 2148 2145 18 2151 2145 18 2151 2148 19 2157 2154 18 2160 2154 18 2160 2157 19 2166 2163 18 2169 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396 397 397 0 399 400 400 0 402 403 403 0 405 406 406 0 408 409 409 0 411 412 412 0 414 415 415 0 417 418 418 0 420 421 421 0 423 424 424 0 426 427 427 0 429 430 430 0 432 433 433 0 435 436 436 0 438 439 439 0 441 442 442 0 444 445 445 0 447 448 448 0 450 451 451 0 453 454 454 0 456 457 457 0 459 460 460 0 462 463 463 0 465 466 466 0 468 469 469 0 471 472 472 0 474 475 475 0 477 478 478 0 480 481 481 0 483 484 484 0 486 487 487 0 489 490 490 0 492 493 493 0 495 496 496 0 498 499 499 0 501 502 502 0 504 505 505 0 507 508 508 0 510 511 511 0 513 514 514 0 516 517 517 0 519 520 520 0 522 523 523 0 525 526 526 0 528 529 529 0 531 532 532 0 534 535 535 0 537 538 538 0 540 541 541 0 543 544 544 0 546 547 547 0 549 550 550 0 552 553 553 0 555 556 556 0 558 559 559 0 561 562 562 0 564 565 565 0 567 568 568 0 570 571 571 0 573 574 574 0 576 577 577 0 579 580 580 0 582 583 583 0 585 586 586 0 588 589 589 0 591 592 592 0 594 595 595 0 597 598 598 0 600 601 601 0 603 604 604 0 606 607 607 0 609 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823 0 825 826 826 0 828 829 829 0 831 832 832 0 834 835 835 0 837 838 838 0 840 841 841 0 843 844 844 0 846 847 847 0 849 850 850 0 852 853 853 0 855 856 856 0 858 859 859 0 861 862 862 0 864 865 865 0 867 868 868 0 870 871 871 0 873 874 874 0 876 877 877 0 879 880 880 0 882 883 883 0 885 886 886 0 888 889 889 0 891 892 892 0 894 895 895 0 897 898 898 0 900 901 901 0 903 904 904 0 906 907 907 0 909 910 910 0 912 913 913 0 915 916 916 0 918 919 919 0 921 922 922 0 924 925 925 0 927 928 928 0 930 931 931 0 933 934 934 0 936 937 937 0 939 940 940 0 942 943 943 0 945 946 946 0 948 949 949 0 951 952 952 0 954 955 955 0 957 958 958 0 960 961 961 0 963 964 964 0 966 967 967 0 969 970 970 0 972 973 973 0 975 976 976 0 978 979 979 0 981 982 982 0 984 985 985 0 987 988 988 0 990 991 991 0 993 994 994 0 996 997 997 0 999 1000 1000 0 1002 1003 1003 0 1005 1006 1006 0 1008 1009 1009 0 1011 1012 1012 0 1014 1015 1015 0 1017 1018 1018 0 1020 1021 1021 0 1023 1024 1024 0 1026 1027 1027 0 1029 1030 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1383 1384 1384 0 1386 1387 1387 0 1389 1390 1390 0 1392 1393 1393 0 1395 1396 1396 0 1398 1399 1399 0 1401 1402 1402 0 1404 1405 1405 0 1407 1408 1408 0 1410 1411 1411 0 1413 1414 1414 0 1416 1417 1417 0 1419 1420 1420 0 1422 1423 1423 0 1425 1426 1426 0 1428 1429 1429 0 1431 1432 1432 0 1434 1435 1435 0 1437 1438 1438 0 1440 1441 1441 0 1443 1444 1444 0 1446 1447 1447 0 1449 1450 1450 0 1452 1453 1453 0 1455 1456 1456 0 1458 1459 1459 0 1461 1462 1462 0 1464 1465 1465 0 1467 1468 1468 0 1470 1471 1471 0 1473 1474 1474 0 1476 1477 1477 0 1479 1480 1480 0 1482 1483 1483 0 1485 1486 1486 0 1488 1489 1489 0 1491 1492 1492 0 1494 1495 1495 0 1497 1498 1498 0 1500 1501 1501 0 1503 1504 1504 0 1506 1507 1507 0 1509 1510 1510 0 1512 1513 1513 0 1515 1516 1516 0 1518 1519 1519 0 1521 1522 1522 0 1524 1525 1525 0 1527 1528 1528 0 1530 1531 1531 0 1533 1534 1534 0 1536 1537 1537 0 1539 1540 1540 0 1542 1543 1543 0 1545 1546 1546 0 1548 1549 1549 0 1551 1552 1552 0 1554 1555 1555 0 1557 1558 1558 0 1560 1561 1561 0 1563 1564 1564 0 1566 1567 1567 0 1569 1570 1570 0 1572 1573 1573 0 1575 1576 1576 0 1578 1579 1579 0 1581 1582 1582 0 1584 1585 1585 0 1587 1588 1588 0 1590 1591 1591 0 1593 1594 1594 0 1596 1597 1597 0 1599 1600 1600 0 1602 1603 1603 0 1605 1606 1606 0 1608 1609 1609 0 1611 1612 1612 0 1614 1615 1615 0 1617 1618 1618 0 1620 1621 1621 0 1623 1624 1624 0 1626 1627 1627 0 1629 1630 1630 0 1632 1633 1633 0 1635 1636 1636 0 1638 1639 1639 0 1641 1642 1642 0 1644 1645 1645 0 1647 1648 1648 0 1650 1651 1651 0 1653 1654 1654 0 1656 1657 1657 0 1659 1660 1660 0 1662 1663 1663 0 1665 1666 1666 0 1668 1669 1669 0 1671 1672 1672 0 1674 1675 1675 0 1677 1678 1678 0 1680 1681 1681 0 1683 1684 1684 0 1686 1687 1687 0 1689 1690 1690 0 1692 1693 1693 0 1695 1696 1696 0 1698 1699 1699 0 1701 1702 1702 0 1704 1705 1705 0 1707 1708 1708 0 1710 1711 1711 0 1713 1714 1714 0 1716 1717 1717 0 1719 1720 1720 0 1722 1723 1723 0 1725 1726 1726 0 1728 1729 1729 0 1731 1732 1732 0 1734 1735 1735 0 1737 1738 1738 0 1740 1741 1741 0 1743 1744 1744 0 1746 1747 1747 0 1749 1750 1750 0 1752 1753 1753 0 1755 1756 1756 0 1758 1759 1759 0 1761 1762 1762 0 1764 1765 1765 0 1767 1768 1768 0 1770 1771 1771 0 1773 1774 1774 0 1776 1777 1777 0 1779 1780 1780 0 1782 1783 1783 0 1785 1786 1786 0 1788 1789 1789 0 1791 1792 1792 0 1794 1795 1795 0 1797 1798 1798 0 1800 1801 1801 0 1803 1804 1804 0 1806 1807 1807 0 1809 1810 1810 0 1812 1813 1813 0 1815 1816 1816 0 1818 1819 1819 0 1821 1822 1822 0 1824 1825 1825 0 1827 1828 1828 0 1830 1831 1831 0 1833 1834 1834 0 1836 1837 1837 0 1839 1840 1840 0 1842 1843 1843 0 1845 1846 1846 0 1848 1849 1849 0 1851 1852 1852 0 1854 1855 1855 0 1857 1858 1858 0 1860 1861 1861 0 1863 1864 1864 0 1866 1867 1867 0 1869 1870 1870 0 1872 1873 1873 0 1875 1876 1876 0 1878 1879 1879 0 1881 1882 1882 0 1884 1885 1885 0 1887 1888 1888 0 1890 1891 1891 0 1893 1894 1894 0 1896 1897 1897 0 1899 1900 1900 0 1902 1903 1903 0 1905 1906 1906 0 1908 1909 1909 0 1911 1912 1912 0 1914 1915 1915 0 1917 1918 1918 0 1920 1921 1921 0 1923 1924 1924 0 1926 1927 1927 0 1929 1930 1930 0 1932 1933 1933 0 1935 1936 1936 0 1938 1939 1939 0 1941 1942 1942 0 1944 1945 1945 0 1947 1948 1948 0 1950 1951 1951 0 1953 1954 1954 0 %FLAG HBOND_ACOEF %FORMAT(5E16.8) 0.00000000E+00 %FLAG HBOND_BCOEF %FORMAT(5E16.8) 0.00000000E+00 %FLAG HBCUT %FORMAT(5E16.8) 0.00000000E+00 %FLAG AMBER_ATOM_TYPE %FORMAT(20a4) AA AB AC AD AG AF AG AH AM AN AM AL AM AN AO AP AQ AR AS OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW %FLAG TREE_CHAIN_CLASSIFICATION %FORMAT(20a4) BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA %FLAG JOIN_ARRAY %FORMAT(10I8) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 0 0 0 0 0 %FLAG SOLVENT_POINTERS %FORMAT(3I8) 1 646 2 %FLAG ATOMS_PER_MOLECULE %FORMAT(10I8) 19 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 %FLAG BOX_DIMENSIONS %FORMAT(5E16.8) 9.00000000E+01 3.29553330E+01 3.21581290E+01 2.81853230E+01 %FLAG RADIUS_SET %FORMAT(1a80) modified Bondi radii (mbondi) %FLAG RADII %FORMAT(5E16.8) 1.50000000E+00 1.50000000E+00 1.70000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 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8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 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