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1.40100000E+01 1.00800000E+00 1.00800000E+00 1.40100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.60000000E+01 %FLAG ATOM_TYPE_INDEX %FORMAT(10I8) 1 2 2 2 3 4 3 5 5 6 2 7 8 1 3 5 5 3 9 9 3 9 9 3 5 7 8 1 2 3 5 3 9 9 3 9 3 9 9 9 3 9 9 9 7 8 1 2 3 5 3 9 9 3 5 5 6 3 5 5 5 7 8 1 2 3 5 3 9 3 9 9 9 3 9 9 9 7 8 1 2 3 5 3 9 9 3 9 9 3 9 9 3 4 4 1 2 2 2 7 8 1 2 3 5 3 9 3 9 9 9 3 9 9 9 7 8 1 2 3 5 3 9 9 3 9 3 9 9 9 3 9 9 9 7 8 1 2 3 5 3 9 9 7 8 8 7 8 1 2 3 5 3 9 9 9 7 8 1 2 3 5 3 9 3 9 9 9 3 9 9 9 7 8 1 2 3 5 3 9 9 3 9 9 3 5 5 1 2 7 1 2 2 1 2 2 7 8 1 2 3 5 5 7 8 1 2 3 5 3 5 5 10 11 7 8 1 3 5 5 3 9 9 3 9 9 3 5 7 8 1 2 3 5 3 9 9 9 7 8 1 2 3 5 3 9 3 9 9 9 3 9 9 3 9 9 9 7 8 1 2 3 5 3 9 9 7 8 1 2 2 7 8 1 2 3 5 3 9 3 9 9 9 3 9 9 9 7 8 1 2 3 5 3 9 9 9 7 8 1 2 3 5 3 9 3 9 9 9 3 9 9 9 7 8 1 2 3 5 3 9 9 7 1 2 7 12 1 7 13 7 8 1 2 3 5 3 9 3 9 9 9 3 9 9 9 7 8 1 2 3 5 3 9 9 7 7 14 7 14 7 14 7 14 7 14 7 8 1 2 3 5 3 9 9 3 9 9 3 5 5 1 2 7 1 2 2 1 2 2 7 8 1 2 3 5 3 9 9 3 9 9 3 9 9 3 4 4 1 2 2 2 7 8 1 2 3 5 3 9 9 9 7 8 1 2 3 5 3 9 9 9 7 8 1 2 3 5 3 9 9 7 8 8 7 8 1 2 3 5 3 9 9 7 8 8 7 8 1 2 3 5 3 5 3 9 9 9 10 11 7 8 1 2 3 5 3 9 9 7 7 13 1 2 7 7 14 7 14 7 14 7 14 7 7 8 1 2 3 5 3 9 9 3 9 9 7 8 8 7 8 1 3 5 5 3 9 9 3 9 9 3 5 7 8 1 2 3 5 3 9 9 7 7 14 7 14 7 14 7 14 7 14 7 8 1 2 3 5 3 9 9 9 7 8 1 2 3 5 3 5 5 10 11 7 8 1 2 3 5 5 7 8 1 2 3 5 3 9 9 3 9 9 3 9 9 3 4 4 1 2 2 2 7 8 1 2 3 5 3 5 3 9 9 9 10 11 7 8 1 2 3 5 3 5 5 10 11 7 8 1 2 3 5 3 9 9 3 9 9 7 8 8 7 8 1 2 3 5 3 5 5 10 11 7 8 1 2 3 5 5 7 8 1 2 3 5 3 9 9 3 9 9 7 8 8 7 8 1 2 3 5 3 9 9 3 9 3 9 9 9 3 9 9 9 7 8 1 2 3 5 3 9 9 7 1 2 7 12 1 7 13 7 8 1 2 3 5 5 7 8 1 2 3 5 3 9 9 3 9 3 9 9 9 3 9 9 9 7 8 1 2 3 5 3 5 3 9 9 9 10 11 7 8 1 2 3 5 3 5 3 9 9 9 10 11 7 8 1 2 3 5 3 9 9 3 9 9 7 8 8 7 8 1 2 3 5 3 9 9 3 9 9 7 8 8 7 8 1 2 3 5 3 9 9 3 9 9 7 8 1 2 2 7 8 1 2 3 5 3 9 9 7 7 14 7 14 7 14 7 14 7 14 7 8 1 2 3 5 3 9 3 9 9 9 3 9 9 9 7 8 1 2 3 5 3 9 9 3 9 9 7 8 8 7 8 1 2 3 5 5 7 8 1 2 3 5 3 9 3 9 9 9 3 9 9 3 9 9 9 7 8 1 2 3 5 3 9 9 7 7 14 7 14 7 10 11 7 14 7 14 7 8 1 2 3 5 3 9 9 3 9 9 3 9 9 3 4 4 1 2 2 2 7 8 1 2 3 5 3 9 3 9 9 9 3 9 9 9 7 8 1 2 3 5 3 9 9 3 9 9 7 8 8 7 8 1 2 3 5 3 9 3 9 9 9 3 9 9 3 9 9 9 7 8 1 2 3 5 3 9 9 7 8 8 7 8 1 2 3 5 3 5 3 9 9 9 10 11 7 8 1 2 3 5 3 9 9 3 9 9 3 9 9 3 4 4 1 2 2 2 7 8 1 2 3 5 3 5 5 10 11 7 8 1 2 3 5 3 9 9 7 7 14 7 14 7 10 11 7 14 7 14 7 8 1 2 3 5 3 9 9 7 7 13 1 2 7 7 14 7 14 7 14 7 14 7 7 8 1 2 3 5 3 9 9 3 9 9 3 9 9 3 4 4 1 2 2 2 7 8 1 2 3 5 3 9 9 9 7 8 1 2 3 5 3 9 9 3 9 3 9 9 9 3 9 9 9 7 8 1 2 3 5 5 7 8 1 2 3 5 3 9 3 9 9 9 3 9 9 3 9 9 9 7 8 1 2 3 5 3 5 5 10 11 7 8 1 3 5 5 3 9 9 3 9 9 3 5 7 8 1 2 3 5 3 9 9 7 7 14 7 14 7 14 7 14 7 14 7 8 1 2 3 5 3 9 9 7 1 2 7 12 1 7 13 7 8 1 2 3 5 3 9 9 3 9 9 7 8 8 7 8 1 2 3 5 3 9 9 7 1 2 7 12 1 7 13 7 8 1 2 3 5 3 9 9 9 7 8 1 2 3 5 3 9 9 3 9 9 7 8 8 7 8 1 2 3 5 3 9 3 9 9 9 3 9 9 9 7 8 1 2 3 5 3 9 3 9 9 9 3 9 9 9 7 8 1 2 3 5 3 9 9 7 7 14 7 14 7 14 7 14 7 14 7 8 1 2 3 5 3 5 3 9 9 9 10 11 7 8 1 2 3 5 3 9 9 9 7 8 1 2 3 5 3 9 9 7 8 1 2 2 7 8 1 2 3 5 3 9 9 7 8 8 7 8 1 2 3 5 3 5 5 10 11 7 8 1 2 3 5 5 7 8 1 3 5 5 3 9 9 3 9 9 3 5 7 8 1 2 3 5 3 9 9 3 9 9 3 5 5 1 2 7 1 2 2 1 2 2 7 8 1 2 3 5 3 9 9 3 9 9 3 5 5 1 2 7 1 2 2 1 2 2 7 8 1 2 3 5 3 9 9 7 7 14 7 14 7 10 11 7 14 7 14 7 8 1 2 3 5 3 5 3 9 9 9 10 11 7 8 1 2 3 5 3 9 3 9 9 9 3 9 9 3 9 9 9 7 8 1 2 3 5 3 9 9 9 7 8 1 2 3 5 3 9 9 9 7 8 1 2 3 5 3 9 9 3 9 3 9 9 9 3 9 9 9 7 8 1 2 3 5 3 9 9 3 9 3 9 9 9 3 9 9 9 7 8 1 2 3 5 3 5 5 10 11 7 8 1 3 5 5 3 9 9 3 9 9 3 5 7 8 1 2 3 5 3 9 9 7 7 14 7 14 7 10 11 7 14 7 14 7 8 1 2 3 5 3 5 5 10 11 7 8 1 2 3 5 3 9 9 7 7 14 7 14 7 10 11 7 14 7 14 7 8 1 2 3 5 3 5 5 10 11 7 8 1 2 3 5 3 5 3 9 9 9 10 11 7 8 1 2 3 5 3 5 3 9 9 9 10 11 7 8 1 2 3 5 3 9 9 9 7 8 1 2 3 5 3 9 3 9 9 9 3 9 9 9 7 8 1 2 3 5 3 9 3 9 9 9 3 9 9 9 7 8 1 2 3 5 3 5 3 9 9 9 10 11 7 8 1 2 3 5 3 9 9 7 8 1 2 2 7 8 8 %FLAG NUMBER_EXCLUDED_ATOMS %FORMAT(10I8) 12 6 5 4 11 7 7 4 3 2 1 10 3 14 11 6 5 8 5 4 7 4 3 6 3 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 10 4 13 7 10 6 5 8 3 2 4 3 2 1 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 10 4 12 7 8 5 4 3 1 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 13 7 12 6 5 9 5 4 7 4 3 8 3 6 5 2 1 2 1 1 7 3 7 4 7 4 3 7 3 10 4 11 7 7 4 3 2 1 10 3 14 11 6 5 8 5 4 7 4 3 6 3 7 3 10 4 10 7 6 3 2 1 7 3 10 4 16 7 15 9 8 3 2 1 7 5 4 3 2 1 1 7 3 10 4 12 7 10 5 4 5 3 2 1 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 12 7 12 5 4 8 6 4 4 2 2 1 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 12 7 12 5 4 10 8 4 6 3 5 3 3 2 1 1 7 3 10 4 13 7 12 6 5 9 5 4 7 4 3 8 3 6 5 2 1 2 1 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 12 7 8 5 4 3 1 1 7 3 10 4 12 7 8 5 4 3 1 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 12 7 12 5 4 11 7 4 7 3 8 7 4 6 3 4 3 2 1 1 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 10 3 14 11 6 5 8 5 4 7 4 3 6 3 7 3 10 4 12 7 12 5 4 10 8 4 6 3 5 3 3 2 1 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 11 7 7 4 3 2 1 7 3 7 4 7 4 3 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 11 7 7 4 3 2 1 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 11 7 7 4 3 2 1 7 3 7 4 7 4 3 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 10 4 12 7 12 5 4 8 6 4 4 2 2 1 1 7 3 7 4 7 4 3 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 13 7 11 6 5 8 4 3 4 3 2 1 1 7 3 10 4 12 7 12 5 4 10 8 4 6 3 5 3 3 2 1 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 7 4 7 4 3 7 3 10 4 16 7 15 9 8 3 2 1 7 5 4 3 2 1 1 7 3 10 4 12 7 12 5 4 10 8 4 7 3 6 4 1 3 2 1 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 16 7 15 9 8 3 2 1 7 5 4 3 2 1 1 7 3 10 4 12 7 8 5 4 3 1 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 11 7 7 4 3 2 1 7 3 10 4 12 7 12 5 4 10 8 4 7 3 6 4 1 3 2 1 1 7 3 10 4 12 7 12 5 4 11 7 4 7 3 8 7 4 6 3 4 3 2 1 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 7 4 7 4 3 7 3 10 4 16 7 15 9 8 3 2 1 7 5 4 3 2 1 1 7 3 10 4 11 7 7 4 3 2 1 10 3 14 11 6 5 8 5 4 7 4 3 6 3 7 3 10 4 12 7 12 5 4 10 8 4 6 3 5 3 3 2 1 1 7 3 10 4 12 7 12 5 4 8 6 4 4 2 2 1 1 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 12 7 12 5 4 8 6 4 4 2 2 1 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 12 7 12 5 4 10 8 4 6 3 5 3 3 2 1 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 12 7 10 5 4 5 3 2 1 1 7 3 10 4 12 7 8 5 4 3 1 1 7 3 10 4 11 7 7 4 3 2 1 7 3 7 4 7 4 3 10 3 14 11 6 5 8 5 4 7 4 3 6 3 7 3 10 4 13 7 12 6 5 9 5 4 7 4 3 8 3 6 5 2 1 2 1 1 7 3 10 4 13 7 12 6 5 9 5 4 7 4 3 8 3 6 5 2 1 2 1 1 7 3 10 4 12 7 12 5 4 10 8 4 7 3 6 4 1 3 2 1 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 16 7 15 9 8 3 2 1 7 5 4 3 2 1 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 10 4 11 7 7 4 3 2 1 10 3 14 11 6 5 8 5 4 7 4 3 6 3 7 3 10 4 12 7 12 5 4 10 8 4 7 3 6 4 1 3 2 1 1 7 3 10 4 11 7 7 4 3 2 1 7 3 10 4 12 7 12 5 4 10 8 4 7 3 6 4 1 3 2 1 1 7 3 10 4 11 7 7 4 3 2 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 10 7 10 5 4 5 3 2 1 1 2 1 1 %FLAG NONBONDED_PARM_INDEX %FORMAT(10I8) 1 2 4 7 11 16 22 29 37 46 56 67 79 92 2 3 5 8 12 17 23 30 38 47 57 68 80 93 4 5 6 9 13 18 24 31 39 48 58 69 81 94 7 8 9 10 14 19 25 32 40 49 59 70 82 95 11 12 13 14 15 20 26 33 41 50 60 71 83 96 16 17 18 19 20 21 27 34 42 51 61 72 84 97 22 23 24 25 26 27 28 35 43 52 62 73 85 98 29 30 31 32 33 34 35 36 44 53 63 74 86 99 37 38 39 40 41 42 43 44 45 54 64 75 87 100 46 47 48 49 50 51 52 53 54 55 65 76 88 101 56 57 58 59 60 61 62 63 64 65 66 77 89 102 67 68 69 70 71 72 73 74 75 76 77 78 90 103 79 80 81 82 83 84 85 86 87 88 89 90 91 104 92 93 94 95 96 97 98 99 100 101 102 103 104 105 %FLAG RESIDUE_LABEL %FORMAT(20a4) CYS PRO LEU MET VAL LYS VAL LEU ASP ALA VAL ARG GLY SER PRO ALA ILE ASN VAL ALA VAL HID VAL PHE ARG LYS ALA ALA ASP ASP THR TRP GLU PRO PHE ALA SER GLY LYS THR SER GLU SER GLY GLU LEU HID GLY LEU THR THR GLU GLU GLN PHE VAL GLU GLY ILE TYR LYS VAL GLU ILE ASP THR LYS SER TYR TRP LYS ALA LEU GLY ILE SER PRO PHE HID GLU HID ALA GLU VAL VAL PHE THR ALA ASN ASP SER GLY PRO ARG ARG TYR THR ILE ALA ALA LEU LEU SER PRO TYR SER TYR SER THR THR ALA VAL VAL THR ASN %FLAG RESIDUE_POINTER %FORMAT(10I8) 1 14 28 47 64 80 102 118 137 149 159 175 199 206 217 231 241 260 274 290 300 316 333 349 369 393 415 425 435 447 459 473 497 512 526 546 556 567 574 596 610 621 636 647 654 669 688 705 712 731 745 759 774 789 806 826 842 857 864 883 904 926 942 957 976 988 1002 1024 1035 1056 1080 1102 1112 1131 1138 1157 1168 1182 1202 1219 1234 1251 1261 1276 1292 1308 1328 1342 1352 1366 1378 1389 1396 1410 1434 1458 1479 1493 1512 1522 1532 1551 1570 1581 1595 1616 1627 1648 1659 1673 1687 1697 1713 1729 1743 %FLAG BOND_FORCE_CONSTANT %FORMAT(5E16.8) 5.70000000E+02 4.90000000E+02 2.74000000E+02 3.40000000E+02 2.37000000E+02 3.40000000E+02 3.10000000E+02 3.17000000E+02 4.34000000E+02 3.67000000E+02 3.40000000E+02 3.37000000E+02 4.34000000E+02 2.27000000E+02 6.56000000E+02 4.34000000E+02 4.81000000E+02 3.37000000E+02 5.53000000E+02 3.20000000E+02 3.67000000E+02 4.10000000E+02 3.67000000E+02 4.88000000E+02 4.34000000E+02 4.77000000E+02 4.22000000E+02 5.12000000E+02 3.17000000E+02 3.67000000E+02 4.69000000E+02 3.17000000E+02 4.69000000E+02 4.69000000E+02 4.47000000E+02 4.28000000E+02 3.67000000E+02 4.27000000E+02 5.46000000E+02 3.88000000E+02 3.17000000E+02 4.50000000E+02 4.69000000E+02 %FLAG BOND_EQUIL_VALUE %FORMAT(5E16.8) 1.22900000E+00 1.33500000E+00 1.33600000E+00 1.09000000E+00 1.81000000E+00 1.09000000E+00 1.52600000E+00 1.52200000E+00 1.01000000E+00 1.47100000E+00 1.09000000E+00 1.44900000E+00 1.01000000E+00 1.81000000E+00 1.25000000E+00 1.01000000E+00 1.34000000E+00 1.46300000E+00 9.60000000E-01 1.41000000E+00 1.08000000E+00 1.39400000E+00 1.08000000E+00 1.33500000E+00 1.01000000E+00 1.34300000E+00 1.38500000E+00 1.37500000E+00 1.50400000E+00 1.08000000E+00 1.40000000E+00 1.51000000E+00 1.40400000E+00 1.40000000E+00 1.41900000E+00 1.38000000E+00 1.08000000E+00 1.38100000E+00 1.35200000E+00 1.45900000E+00 1.49500000E+00 1.36400000E+00 1.40900000E+00 %FLAG ANGLE_FORCE_CONSTANT %FORMAT(5E16.8) 8.00000000E+01 5.00000000E+01 5.00000000E+01 3.50000000E+01 6.30000000E+01 4.30000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 8.00000000E+01 7.00000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 8.00000000E+01 8.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 3.50000000E+01 4.00000000E+01 5.00000000E+01 5.00000000E+01 8.00000000E+01 6.30000000E+01 5.00000000E+01 5.00000000E+01 6.20000000E+01 5.00000000E+01 3.50000000E+01 8.00000000E+01 5.00000000E+01 7.00000000E+01 3.50000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 8.00000000E+01 5.00000000E+01 5.50000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 5.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 6.30000000E+01 5.00000000E+01 6.30000000E+01 5.00000000E+01 7.00000000E+01 6.30000000E+01 5.00000000E+01 6.30000000E+01 6.30000000E+01 5.00000000E+01 6.30000000E+01 6.30000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 6.30000000E+01 5.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 6.30000000E+01 6.30000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 6.30000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 6.30000000E+01 6.30000000E+01 %FLAG ANGLE_EQUIL_VALUE %FORMAT(5E16.8) 2.14501057E+00 2.12755727E+00 1.91113635E+00 1.91113635E+00 1.93906163E+00 1.67551680E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.89542838E+00 2.10137732E+00 2.03505478E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.94080696E+00 1.94080696E+00 2.09439600E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 2.05948940E+00 1.91113635E+00 1.91462701E+00 1.92160833E+00 2.06018753E+00 1.91113635E+00 1.72613137E+00 2.00189351E+00 1.91113635E+00 2.19911580E+00 1.91113635E+00 2.04203610E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 1.91113635E+00 2.06647072E+00 2.15024656E+00 1.94080696E+00 1.91113635E+00 1.89368305E+00 1.91113635E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.04203610E+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 1.91113635E+00 2.09439600E+00 2.09439600E+00 1.97396823E+00 2.09439600E+00 2.09439600E+00 1.91113635E+00 2.09439600E+00 1.98967620E+00 2.09439600E+00 2.09439600E+00 2.14151991E+00 2.09439600E+00 2.09439600E+00 2.02807346E+00 2.14850123E+00 2.31779824E+00 1.82212452E+00 2.09439600E+00 1.85703112E+00 2.09439600E+00 1.94778828E+00 2.09439600E+00 1.89717371E+00 1.89891904E+00 2.35445017E+00 1.91113635E+00 2.18166250E+00 2.24449438E+00 2.01760148E+00 2.09439600E+00 1.97222290E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 %FLAG DIHEDRAL_FORCE_CONSTANT %FORMAT(5E16.8) 2.50000000E+00 0.00000000E+00 5.30000000E-01 1.50000000E-01 5.00000000E-01 1.00000000E+00 1.55555556E-01 2.50000000E-01 7.00000000E-02 1.00000000E-01 2.00000000E+00 8.00000000E-01 8.00000000E-02 1.50000000E-01 1.60000000E-01 2.00000000E-01 2.50000000E-01 1.80000000E-01 7.00000000E-01 1.10000000E+00 3.33333333E-01 2.40000000E+00 0.00000000E+00 1.66666667E-01 2.50000000E-01 5.00000000E+00 1.40000000E+00 2.32500000E+00 5.15000000E+00 3.62500000E+00 3.00000000E+00 3.50000000E+00 1.52500000E+00 6.52500000E+00 1.50000000E+00 1.67500000E+00 2.30000000E+00 1.05000000E+01 1.00000000E+00 1.10000000E+00 %FLAG DIHEDRAL_PERIODICITY %FORMAT(5E16.8) 2.00000000E+00 2.00000000E+00 1.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 3.00000000E+00 3.00000000E+00 2.00000000E+00 4.00000000E+00 1.00000000E+00 1.00000000E+00 3.00000000E+00 3.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 2.00000000E+00 3.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 %FLAG DIHEDRAL_PHASE %FORMAT(5E16.8) 3.14159400E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+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 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) 9.44293233E+05 2.12601181E+03 1.39982777E-01 9.95480466E+05 2.56678134E+03 1.04308023E+06 2.01791425E+04 9.14716912E+00 2.27401052E+04 2.01823541E+02 6.20665997E+04 5.94667300E+01 6.78771368E+04 8.79040886E+02 3.25969625E+03 2.01562190E+06 5.97860700E+03 2.09861767E+06 4.93469320E+04 1.42791446E+05 4.19430400E+06 8.82619071E+05 2.27577561E+03 9.24822270E+05 2.01619733E+04 6.01816484E+04 1.86068943E+06 8.19971662E+05 6.06829342E+05 1.02595236E+03 6.47841731E+05 1.12780457E+04 3.69471530E+04 1.32911052E+06 5.74393458E+05 3.79876399E+05 8.96776989E+04 1.07193646E+02 9.71708117E+04 1.41077189E+03 4.98586848E+03 2.02461849E+05 8.61541883E+04 5.44261042E+04 7.51607703E+03 7.44975864E+05 1.40467023E+03 7.91544157E+05 1.45985502E+04 4.66922514E+04 1.61587928E+06 7.01803794E+05 4.71003287E+05 6.82786631E+04 5.81803229E+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 0.00000000E+00 0.00000000E+00 5.46147253E+04 4.90239937E+01 5.98885646E+04 7.50063100E+02 2.82099197E+03 1.26338489E+05 5.30987710E+04 3.23283631E+04 4.33325458E+03 4.09427581E+04 0.00000000E+00 2.43828624E+03 6.58473870E+04 6.63368273E+01 7.18621074E+04 9.55000044E+02 3.50301067E+03 1.50848032E+05 6.37148278E+04 3.93690817E+04 5.34045360E+03 4.96707306E+04 0.00000000E+00 3.03448006E+03 3.76169105E+03 7.91627154E+04 8.90987508E+01 8.59947003E+04 1.21014911E+03 4.33325458E+03 1.79647996E+05 7.62451550E+04 4.77908183E+04 6.55825601E+03 6.00750218E+04 0.00000000E+00 3.76169105E+03 4.64559155E+03 5.71629601E+03 %FLAG LENNARD_JONES_BCOEF %FORMAT(5E16.8) 8.01323529E+02 2.09604198E+01 9.37598976E-02 7.36907417E+02 2.06278363E+01 6.75612247E+02 6.45756063E+01 7.57919667E-01 6.13981767E+01 3.56012899E+00 1.13252061E+02 1.93248820E+00 1.06076943E+02 7.42992380E+00 1.43076527E+01 1.28923404E+03 3.87070358E+01 1.17824605E+03 1.11203892E+02 1.89165096E+02 2.04800000E+03 6.53361429E+02 1.82891803E+01 5.99015525E+02 5.44372326E+01 9.40505980E+01 1.04466382E+03 5.31102864E+02 6.77220874E+02 1.53505284E+01 6.26720080E+02 5.08951803E+01 9.21192136E+01 1.10369829E+03 5.55666448E+02 5.64885984E+02 1.36131731E+02 2.59456373E+00 1.26919150E+02 9.41257003E+00 1.76949863E+01 2.25248294E+02 1.12529845E+02 1.11805549E+02 2.17257828E+01 7.50714425E+02 1.79702257E+01 6.93079947E+02 5.79323581E+01 1.03606917E+02 1.21753341E+03 6.14502845E+02 6.29300710E+02 1.25287818E+02 6.99746810E+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 0.00000000E+00 0.00000000E+00 1.05031585E+02 1.73473071E+00 9.85097219E+01 6.78541827E+00 1.31591746E+01 1.75916126E+02 8.73413012E+01 8.51921330E+01 1.63092814E+01 9.59185913E+01 0.00000000E+00 1.20953369E+01 1.15327881E+02 2.01792524E+00 1.07908863E+02 7.65648470E+00 1.46638650E+01 1.92224012E+02 9.56748258E+01 9.40124296E+01 1.81057616E+01 1.05648788E+02 0.00000000E+00 1.34932874E+01 1.50233639E+01 1.26451907E+02 2.33864085E+00 1.18043746E+02 8.61880722E+00 1.63092814E+01 2.09772716E+02 1.04660679E+02 1.03580945E+02 2.00642027E+01 1.16187983E+02 0.00000000E+00 1.50233639E+01 1.66953734E+01 1.85196588E+01 %FLAG BONDS_INC_HYDROGEN %FORMAT(10I8) 27 30 3 18 21 4 18 24 4 12 15 6 0 3 9 0 6 9 0 9 9 69 72 4 60 63 11 60 66 11 51 54 11 51 57 11 42 45 4 42 48 4 120 123 11 120 126 11 120 129 11 108 111 11 108 114 11 108 117 11 102 105 11 93 96 11 93 99 11 87 90 4 81 84 13 171 174 4 171 177 4 171 180 4 159 162 4 159 165 4 150 153 11 150 156 11 144 147 4 138 141 13 219 222 11 219 225 11 219 228 11 207 210 11 207 213 11 207 216 11 201 204 11 195 198 4 189 192 13 285 288 9 285 291 9 285 294 9 276 279 6 276 282 6 267 270 11 267 273 11 258 261 11 258 264 11 249 252 11 249 255 11 243 246 4 237 240 13 333 336 11 333 339 11 333 342 11 321 324 11 321 327 11 321 330 11 315 318 11 309 312 4 303 306 13 390 393 11 390 396 11 390 399 11 378 381 11 378 384 11 378 387 11 372 375 11 363 366 11 363 369 11 357 360 4 351 354 13 420 423 11 420 426 11 414 417 4 408 411 13 456 459 11 456 462 11 456 465 11 450 453 4 444 447 13 504 507 11 504 510 11 504 513 11 492 495 11 492 498 11 492 501 11 486 489 11 480 483 4 474 477 13 579 582 16 579 585 16 570 573 16 570 576 16 561 564 16 552 555 4 552 558 4 543 546 11 543 549 11 534 537 11 534 540 11 528 531 4 522 525 13 600 603 4 600 606 4 594 597 13 636 639 19 627 630 4 627 633 4 621 624 4 615 618 13 678 681 4 669 672 11 669 675 11 660 663 11 660 666 11 651 654 4 651 657 4 702 705 11 702 708 11 702 711 11 696 699 4 690 693 13 759 762 11 759 765 11 759 768 11 750 753 11 750 756 11 738 741 11 738 744 11 738 747 11 732 735 11 726 729 4 720 723 13 804 807 13 804 810 13 789 792 11 789 795 11 783 786 4 777 780 13 849 852 11 849 855 11 849 858 11 837 840 11 837 843 11 837 846 11 831 834 11 825 828 4 819 822 13 879 882 11 879 885 11 879 888 11 873 876 4 867 870 13 927 930 11 927 933 11 927 936 11 915 918 11 915 921 11 915 924 11 909 912 11 903 906 4 897 900 13 984 987 21 975 978 23 969 972 25 957 960 11 957 963 11 951 954 4 945 948 13 1026 1029 11 1026 1032 11 1026 1035 11 1014 1017 11 1014 1020 11 1014 1023 11 1008 1011 11 1002 1005 4 996 999 13 1092 1095 30 1086 1089 30 1080 1083 30 1074 1077 30 1068 1071 30 1056 1059 11 1056 1062 11 1050 1053 4 1044 1047 13 1161 1164 16 1161 1167 16 1152 1155 16 1152 1158 16 1143 1146 16 1134 1137 4 1134 1140 4 1125 1128 11 1125 1131 11 1116 1119 11 1116 1122 11 1110 1113 4 1104 1107 13 1224 1227 9 1224 1230 9 1224 1233 9 1215 1218 6 1215 1221 6 1206 1209 11 1206 1212 11 1197 1200 11 1197 1203 11 1188 1191 11 1188 1194 11 1182 1185 4 1176 1179 13 1254 1257 11 1254 1260 11 1254 1263 11 1248 1251 4 1242 1245 13 1284 1287 11 1284 1290 11 1284 1293 11 1278 1281 4 1272 1275 13 1314 1317 11 1314 1320 11 1308 1311 4 1302 1305 13 1350 1353 11 1350 1356 11 1344 1347 4 1338 1341 13 1404 1407 19 1392 1395 11 1392 1398 11 1392 1401 11 1386 1389 4 1380 1383 4 1374 1377 13 1473 1476 30 1467 1470 30 1461 1464 30 1455 1458 30 1446 1449 25 1440 1443 37 1428 1431 11 1428 1434 11 1422 1425 4 1416 1419 13 1509 1512 11 1509 1515 11 1500 1503 11 1500 1506 11 1494 1497 4 1488 1491 13 1563 1566 4 1554 1557 11 1554 1560 11 1545 1548 11 1545 1551 11 1536 1539 4 1536 1542 4 1623 1626 30 1617 1620 30 1611 1614 30 1605 1608 30 1599 1602 30 1587 1590 11 1587 1593 11 1581 1584 4 1575 1578 13 1647 1650 11 1647 1653 11 1647 1656 11 1641 1644 4 1635 1638 13 1686 1689 19 1677 1680 4 1677 1683 4 1671 1674 4 1665 1668 13 1704 1707 4 1704 1710 4 1698 1701 13 1767 1770 9 1767 1773 9 1767 1776 9 1758 1761 6 1758 1764 6 1749 1752 11 1749 1755 11 1740 1743 11 1740 1746 11 1731 1734 11 1731 1737 11 1725 1728 4 1719 1722 13 1815 1818 19 1803 1806 11 1803 1809 11 1803 1812 11 1797 1800 4 1791 1794 4 1785 1788 13 1848 1851 19 1839 1842 4 1839 1845 4 1833 1836 4 1827 1830 13 1881 1884 11 1881 1887 11 1872 1875 11 1872 1878 11 1866 1869 4 1860 1863 13 1926 1929 19 1917 1920 4 1917 1923 4 1911 1914 4 1905 1908 13 1944 1947 4 1944 1950 4 1938 1941 13 1980 1983 11 1980 1986 11 1971 1974 11 1971 1977 11 1965 1968 4 1959 1962 13 2043 2046 11 2043 2049 11 2043 2052 11 2031 2034 11 2031 2037 11 2031 2040 11 2025 2028 11 2016 2019 11 2016 2022 11 2010 2013 4 2004 2007 13 2100 2103 21 2091 2094 23 2085 2088 25 2073 2076 11 2073 2079 11 2067 2070 4 2061 2064 13 2118 2121 4 2118 2124 4 2112 2115 13 2172 2175 11 2172 2178 11 2172 2181 11 2160 2163 11 2160 2166 11 2160 2169 11 2154 2157 11 2145 2148 11 2145 2151 11 2139 2142 4 2133 2136 13 2220 2223 19 2208 2211 11 2208 2214 11 2208 2217 11 2202 2205 4 2196 2199 4 2190 2193 13 2262 2265 19 2250 2253 11 2250 2256 11 2250 2259 11 2244 2247 4 2238 2241 4 2232 2235 13 2295 2298 11 2295 2301 11 2286 2289 11 2286 2292 11 2280 2283 4 2274 2277 13 2340 2343 11 2340 2346 11 2331 2334 11 2331 2337 11 2325 2328 4 2319 2322 13 2400 2403 13 2400 2406 13 2385 2388 11 2385 2391 11 2376 2379 11 2376 2382 11 2370 2373 4 2364 2367 13 2463 2466 30 2457 2460 30 2451 2454 30 2445 2448 30 2439 2442 30 2427 2430 11 2427 2433 11 2421 2424 4 2415 2418 13 2505 2508 11 2505 2511 11 2505 2514 11 2493 2496 11 2493 2499 11 2493 2502 11 2487 2490 11 2481 2484 4 2475 2478 13 2544 2547 11 2544 2550 11 2535 2538 11 2535 2541 11 2529 2532 4 2523 2526 13 2574 2577 4 2574 2580 4 2568 2571 13 2628 2631 11 2628 2634 11 2628 2637 11 2619 2622 11 2619 2625 11 2607 2610 11 2607 2613 11 2607 2616 11 2601 2604 11 2595 2598 4 2589 2592 13 2697 2700 30 2691 2694 30 2685 2688 19 2676 2679 30 2670 2673 30 2658 2661 11 2658 2664 11 2652 2655 4 2646 2649 13 2757 2760 9 2757 2763 9 2757 2766 9 2748 2751 6 2748 2754 6 2739 2742 11 2739 2745 11 2730 2733 11 2730 2736 11 2721 2724 11 2721 2727 11 2715 2718 4 2709 2712 13 2805 2808 11 2805 2811 11 2805 2814 11 2793 2796 11 2793 2799 11 2793 2802 11 2787 2790 11 2781 2784 4 2775 2778 13 2844 2847 11 2844 2850 11 2835 2838 11 2835 2841 11 2829 2832 4 2823 2826 13 2907 2910 11 2907 2913 11 2907 2916 11 2898 2901 11 2898 2904 11 2886 2889 11 2886 2892 11 2886 2895 11 2880 2883 11 2874 2877 4 2868 2871 13 2937 2940 11 2937 2943 11 2931 2934 4 2925 2928 13 2991 2994 19 2979 2982 11 2979 2985 11 2979 2988 11 2973 2976 4 2967 2970 4 2961 2964 13 3051 3054 9 3051 3057 9 3051 3060 9 3042 3045 6 3042 3048 6 3033 3036 11 3033 3039 11 3024 3027 11 3024 3030 11 3015 3018 11 3015 3021 11 3009 3012 4 3003 3006 13 3090 3093 19 3081 3084 4 3081 3087 4 3075 3078 4 3069 3072 13 3153 3156 30 3147 3150 30 3141 3144 19 3132 3135 30 3126 3129 30 3114 3117 11 3114 3120 11 3108 3111 4 3102 3105 13 3222 3225 30 3216 3219 30 3210 3213 30 3204 3207 30 3195 3198 25 3189 3192 37 3177 3180 11 3177 3183 11 3171 3174 4 3165 3168 13 3285 3288 9 3285 3291 9 3285 3294 9 3276 3279 6 3276 3282 6 3267 3270 11 3267 3273 11 3258 3261 11 3258 3264 11 3249 3252 11 3249 3255 11 3243 3246 4 3237 3240 13 3315 3318 11 3315 3321 11 3315 3324 11 3309 3312 4 3303 3306 13 3372 3375 11 3372 3378 11 3372 3381 11 3360 3363 11 3360 3366 11 3360 3369 11 3354 3357 11 3345 3348 11 3345 3351 11 3339 3342 4 3333 3336 13 3396 3399 4 3396 3402 4 3390 3393 13 3450 3453 11 3450 3456 11 3450 3459 11 3441 3444 11 3441 3447 11 3429 3432 11 3429 3435 11 3429 3438 11 3423 3426 11 3417 3420 4 3411 3414 13 3489 3492 19 3480 3483 4 3480 3486 4 3474 3477 4 3468 3471 13 3531 3534 4 3522 3525 11 3522 3528 11 3513 3516 11 3513 3519 11 3504 3507 4 3504 3510 4 3591 3594 30 3585 3588 30 3579 3582 30 3573 3576 30 3567 3570 30 3555 3558 11 3555 3561 11 3549 3552 4 3543 3546 13 3642 3645 21 3633 3636 23 3627 3630 25 3615 3618 11 3615 3621 11 3609 3612 4 3603 3606 13 3675 3678 11 3675 3681 11 3666 3669 11 3666 3672 11 3660 3663 4 3654 3657 13 3738 3741 21 3729 3732 23 3723 3726 25 3711 3714 11 3711 3717 11 3705 3708 4 3699 3702 13 3762 3765 11 3762 3768 11 3762 3771 11 3756 3759 4 3750 3753 13 3801 3804 11 3801 3807 11 3792 3795 11 3792 3798 11 3786 3789 4 3780 3783 13 3855 3858 11 3855 3861 11 3855 3864 11 3843 3846 11 3843 3849 11 3843 3852 11 3837 3840 11 3831 3834 4 3825 3828 13 3903 3906 11 3903 3909 11 3903 3912 11 3891 3894 11 3891 3897 11 3891 3900 11 3885 3888 11 3879 3882 4 3873 3876 13 3969 3972 30 3963 3966 30 3957 3960 30 3951 3954 30 3945 3948 30 3933 3936 11 3933 3939 11 3927 3930 4 3921 3924 13 4011 4014 19 3999 4002 11 3999 4005 11 3999 4008 11 3993 3996 4 3987 3990 4 3981 3984 13 4035 4038 11 4035 4041 11 4035 4044 11 4029 4032 4 4023 4026 13 4080 4083 13 4080 4086 13 4065 4068 11 4065 4071 11 4059 4062 4 4053 4056 13 4107 4110 11 4107 4113 11 4101 4104 4 4095 4098 13 4152 4155 19 4143 4146 4 4143 4149 4 4137 4140 4 4131 4134 13 4170 4173 4 4170 4176 4 4164 4167 13 4215 4218 4 4206 4209 11 4206 4212 11 4197 4200 11 4197 4203 11 4188 4191 4 4188 4194 4 4284 4287 16 4284 4290 16 4275 4278 16 4275 4281 16 4266 4269 16 4257 4260 4 4257 4263 4 4248 4251 11 4248 4254 11 4239 4242 11 4239 4245 11 4233 4236 4 4227 4230 13 4356 4359 16 4356 4362 16 4347 4350 16 4347 4353 16 4338 4341 16 4329 4332 4 4329 4335 4 4320 4323 11 4320 4326 11 4311 4314 11 4311 4317 11 4305 4308 4 4299 4302 13 4422 4425 30 4416 4419 30 4410 4413 19 4401 4404 30 4395 4398 30 4383 4386 11 4383 4389 11 4377 4380 4 4371 4374 13 4464 4467 19 4452 4455 11 4452 4458 11 4452 4461 11 4446 4449 4 4440 4443 4 4434 4437 13 4515 4518 11 4515 4521 11 4515 4524 11 4506 4509 11 4506 4512 11 4494 4497 11 4494 4500 11 4494 4503 11 4488 4491 11 4482 4485 4 4476 4479 13 4545 4548 11 4545 4551 11 4545 4554 11 4539 4542 4 4533 4536 13 4575 4578 11 4575 4581 11 4575 4584 11 4569 4572 4 4563 4566 13 4632 4635 11 4632 4638 11 4632 4641 11 4620 4623 11 4620 4626 11 4620 4629 11 4614 4617 11 4605 4608 11 4605 4611 11 4599 4602 4 4593 4596 13 4689 4692 11 4689 4695 11 4689 4698 11 4677 4680 11 4677 4683 11 4677 4686 11 4671 4674 11 4662 4665 11 4662 4668 11 4656 4659 4 4650 4653 13 4728 4731 19 4719 4722 4 4719 4725 4 4713 4716 4 4707 4710 13 4770 4773 4 4761 4764 11 4761 4767 11 4752 4755 11 4752 4758 11 4743 4746 4 4743 4749 4 4833 4836 30 4827 4830 30 4821 4824 19 4812 4815 30 4806 4809 30 4794 4797 11 4794 4800 11 4788 4791 4 4782 4785 13 4866 4869 19 4857 4860 4 4857 4863 4 4851 4854 4 4845 4848 13 4929 4932 30 4923 4926 30 4917 4920 19 4908 4911 30 4902 4905 30 4890 4893 11 4890 4896 11 4884 4887 4 4878 4881 13 4962 4965 19 4953 4956 4 4953 4959 4 4947 4950 4 4941 4944 13 5004 5007 19 4992 4995 11 4992 4998 11 4992 5001 11 4986 4989 4 4980 4983 4 4974 4977 13 5046 5049 19 5034 5037 11 5034 5040 11 5034 5043 11 5028 5031 4 5022 5025 4 5016 5019 13 5070 5073 11 5070 5076 11 5070 5079 11 5064 5067 4 5058 5061 13 5118 5121 11 5118 5124 11 5118 5127 11 5106 5109 11 5106 5112 11 5106 5115 11 5100 5103 11 5094 5097 4 5088 5091 13 5166 5169 11 5166 5172 11 5166 5175 11 5154 5157 11 5154 5160 11 5154 5163 11 5148 5151 11 5142 5145 4 5136 5139 13 5214 5217 19 5202 5205 11 5202 5208 11 5202 5211 11 5196 5199 4 5190 5193 4 5184 5187 13 5253 5256 13 5253 5259 13 5238 5241 11 5238 5244 11 5232 5235 4 5226 5229 13 %FLAG BONDS_WITHOUT_HYDROGEN %FORMAT(10I8) 33 36 1 33 39 2 18 27 5 12 18 7 12 33 8 0 12 10 75 78 1 75 81 2 69 75 8 60 69 7 51 60 7 42 51 7 39 42 12 39 69 12 132 135 1 132 138 2 102 108 7 102 120 7 93 102 7 87 93 7 87 132 8 81 87 12 183 186 1 183 189 2 168 171 14 159 168 14 150 159 7 144 150 7 144 183 8 138 144 12 231 234 1 231 237 2 201 207 7 201 219 7 195 201 7 195 231 8 189 195 12 297 300 1 297 303 2 276 285 10 267 276 7 258 267 7 249 258 7 243 249 7 243 297 8 237 243 12 345 348 1 345 351 2 315 321 7 315 333 7 309 315 7 309 345 8 303 309 12 402 405 1 402 408 2 372 378 7 372 390 7 363 372 7 357 363 7 357 402 8 351 357 12 438 441 1 438 444 2 429 432 15 429 435 15 420 429 8 414 420 7 414 438 8 408 414 12 468 471 1 468 474 2 450 456 7 450 468 8 444 450 12 516 519 1 516 522 2 486 492 7 486 504 7 480 486 7 480 516 8 474 480 12 588 591 1 588 594 2 567 570 17 567 579 17 561 567 17 552 561 18 543 552 7 534 543 7 528 534 7 528 588 8 522 528 12 609 612 1 609 615 2 600 609 8 594 600 12 642 645 1 642 648 2 627 636 20 621 627 7 621 642 8 615 621 12 684 687 1 684 690 2 678 684 8 669 678 7 660 669 7 651 660 7 648 651 12 648 678 12 714 717 1 714 720 2 696 702 7 696 714 8 690 696 12 771 774 1 771 777 2 750 759 7 732 738 7 732 750 7 726 732 7 726 771 8 720 726 12 813 816 1 813 819 2 798 801 1 798 804 2 789 798 8 783 789 7 783 813 8 777 783 12 861 864 1 861 867 2 831 837 7 831 849 7 825 831 7 825 861 8 819 825 12 891 894 1 891 897 2 873 879 7 873 891 8 867 873 12 939 942 1 939 945 2 909 915 7 909 927 7 903 909 7 903 939 8 897 903 12 990 993 1 990 996 2 981 984 22 975 981 24 969 975 26 966 969 27 966 984 28 957 966 29 951 957 7 951 990 8 945 951 12 1038 1041 1 1038 1044 2 1008 1014 7 1008 1026 7 1002 1008 7 1002 1038 8 996 1002 12 1098 1101 1 1098 1104 2 1086 1092 31 1080 1086 31 1074 1080 31 1068 1074 31 1065 1068 31 1065 1092 31 1056 1065 32 1050 1056 7 1050 1098 8 1044 1050 12 1170 1173 1 1170 1176 2 1149 1152 17 1149 1161 17 1143 1149 17 1134 1143 18 1125 1134 7 1116 1125 7 1110 1116 7 1110 1170 8 1104 1110 12 1236 1239 1 1236 1242 2 1215 1224 10 1206 1215 7 1197 1206 7 1188 1197 7 1182 1188 7 1182 1236 8 1176 1182 12 1266 1269 1 1266 1272 2 1248 1254 7 1248 1266 8 1242 1248 12 1296 1299 1 1296 1302 2 1278 1284 7 1278 1296 8 1272 1278 12 1332 1335 1 1332 1338 2 1323 1326 15 1323 1329 15 1314 1323 8 1308 1314 7 1308 1332 8 1302 1308 12 1368 1371 1 1368 1374 2 1359 1362 15 1359 1365 15 1350 1359 8 1344 1350 7 1344 1368 8 1338 1344 12 1410 1413 1 1410 1416 2 1386 1392 7 1386 1404 20 1380 1386 7 1380 1410 8 1374 1380 12 1482 1485 1 1482 1488 2 1473 1479 33 1467 1473 31 1461 1467 31 1455 1461 31 1452 1455 34 1452 1479 35 1446 1452 36 1440 1446 38 1437 1440 39 1437 1479 40 1428 1437 41 1422 1428 7 1422 1482 8 1416 1422 12 1527 1530 1 1527 1533 2 1518 1521 15 1518 1524 15 1509 1518 8 1500 1509 7 1494 1500 7 1494 1527 8 1488 1494 12 1569 1572 1 1569 1575 2 1563 1569 8 1554 1563 7 1545 1554 7 1536 1545 7 1533 1536 12 1533 1563 12 1629 1632 1 1629 1635 2 1617 1623 31 1611 1617 31 1605 1611 31 1599 1605 31 1596 1599 31 1596 1623 31 1587 1596 32 1581 1587 7 1581 1629 8 1575 1581 12 1659 1662 1 1659 1665 2 1641 1647 7 1641 1659 8 1635 1641 12 1692 1695 1 1692 1698 2 1677 1686 20 1671 1677 7 1671 1692 8 1665 1671 12 1713 1716 1 1713 1719 2 1704 1713 8 1698 1704 12 1779 1782 1 1779 1785 2 1758 1767 10 1749 1758 7 1740 1749 7 1731 1740 7 1725 1731 7 1725 1779 8 1719 1725 12 1821 1824 1 1821 1827 2 1797 1803 7 1797 1815 20 1791 1797 7 1791 1821 8 1785 1791 12 1854 1857 1 1854 1860 2 1839 1848 20 1833 1839 7 1833 1854 8 1827 1833 12 1899 1902 1 1899 1905 2 1890 1893 15 1890 1896 15 1881 1890 8 1872 1881 7 1866 1872 7 1866 1899 8 1860 1866 12 1932 1935 1 1932 1938 2 1917 1926 20 1911 1917 7 1911 1932 8 1905 1911 12 1953 1956 1 1953 1959 2 1944 1953 8 1938 1944 12 1998 2001 1 1998 2004 2 1989 1992 15 1989 1995 15 1980 1989 8 1971 1980 7 1965 1971 7 1965 1998 8 1959 1965 12 2055 2058 1 2055 2061 2 2025 2031 7 2025 2043 7 2016 2025 7 2010 2016 7 2010 2055 8 2004 2010 12 2106 2109 1 2106 2112 2 2097 2100 22 2091 2097 24 2085 2091 26 2082 2085 27 2082 2100 28 2073 2082 29 2067 2073 7 2067 2106 8 2061 2067 12 2127 2130 1 2127 2133 2 2118 2127 8 2112 2118 12 2184 2187 1 2184 2190 2 2154 2160 7 2154 2172 7 2145 2154 7 2139 2145 7 2139 2184 8 2133 2139 12 2226 2229 1 2226 2232 2 2202 2208 7 2202 2220 20 2196 2202 7 2196 2226 8 2190 2196 12 2268 2271 1 2268 2274 2 2244 2250 7 2244 2262 20 2238 2244 7 2238 2268 8 2232 2238 12 2313 2316 1 2313 2319 2 2304 2307 15 2304 2310 15 2295 2304 8 2286 2295 7 2280 2286 7 2280 2313 8 2274 2280 12 2358 2361 1 2358 2364 2 2349 2352 15 2349 2355 15 2340 2349 8 2331 2340 7 2325 2331 7 2325 2358 8 2319 2325 12 2409 2412 1 2409 2415 2 2394 2397 1 2394 2400 2 2385 2394 8 2376 2385 7 2370 2376 7 2370 2409 8 2364 2370 12 2469 2472 1 2469 2475 2 2457 2463 31 2451 2457 31 2445 2451 31 2439 2445 31 2436 2439 31 2436 2463 31 2427 2436 32 2421 2427 7 2421 2469 8 2415 2421 12 2517 2520 1 2517 2523 2 2487 2493 7 2487 2505 7 2481 2487 7 2481 2517 8 2475 2481 12 2562 2565 1 2562 2568 2 2553 2556 15 2553 2559 15 2544 2553 8 2535 2544 7 2529 2535 7 2529 2562 8 2523 2529 12 2583 2586 1 2583 2589 2 2574 2583 8 2568 2574 12 2640 2643 1 2640 2646 2 2619 2628 7 2601 2607 7 2601 2619 7 2595 2601 7 2595 2640 8 2589 2595 12 2703 2706 1 2703 2709 2 2691 2697 31 2682 2685 42 2682 2691 43 2676 2682 43 2670 2676 31 2667 2670 31 2667 2697 31 2658 2667 32 2652 2658 7 2652 2703 8 2646 2652 12 2769 2772 1 2769 2775 2 2748 2757 10 2739 2748 7 2730 2739 7 2721 2730 7 2715 2721 7 2715 2769 8 2709 2715 12 2817 2820 1 2817 2823 2 2787 2793 7 2787 2805 7 2781 2787 7 2781 2817 8 2775 2781 12 2862 2865 1 2862 2868 2 2853 2856 15 2853 2859 15 2844 2853 8 2835 2844 7 2829 2835 7 2829 2862 8 2823 2829 12 2919 2922 1 2919 2925 2 2898 2907 7 2880 2886 7 2880 2898 7 2874 2880 7 2874 2919 8 2868 2874 12 2955 2958 1 2955 2961 2 2946 2949 15 2946 2952 15 2937 2946 8 2931 2937 7 2931 2955 8 2925 2931 12 2997 3000 1 2997 3003 2 2973 2979 7 2973 2991 20 2967 2973 7 2967 2997 8 2961 2967 12 3063 3066 1 3063 3069 2 3042 3051 10 3033 3042 7 3024 3033 7 3015 3024 7 3009 3015 7 3009 3063 8 3003 3009 12 3096 3099 1 3096 3102 2 3081 3090 20 3075 3081 7 3075 3096 8 3069 3075 12 3159 3162 1 3159 3165 2 3147 3153 31 3138 3141 42 3138 3147 43 3132 3138 43 3126 3132 31 3123 3126 31 3123 3153 31 3114 3123 32 3108 3114 7 3108 3159 8 3102 3108 12 3231 3234 1 3231 3237 2 3222 3228 33 3216 3222 31 3210 3216 31 3204 3210 31 3201 3204 34 3201 3228 35 3195 3201 36 3189 3195 38 3186 3189 39 3186 3228 40 3177 3186 41 3171 3177 7 3171 3231 8 3165 3171 12 3297 3300 1 3297 3303 2 3276 3285 10 3267 3276 7 3258 3267 7 3249 3258 7 3243 3249 7 3243 3297 8 3237 3243 12 3327 3330 1 3327 3333 2 3309 3315 7 3309 3327 8 3303 3309 12 3384 3387 1 3384 3390 2 3354 3360 7 3354 3372 7 3345 3354 7 3339 3345 7 3339 3384 8 3333 3339 12 3405 3408 1 3405 3411 2 3396 3405 8 3390 3396 12 3462 3465 1 3462 3468 2 3441 3450 7 3423 3429 7 3423 3441 7 3417 3423 7 3417 3462 8 3411 3417 12 3495 3498 1 3495 3501 2 3480 3489 20 3474 3480 7 3474 3495 8 3468 3474 12 3537 3540 1 3537 3543 2 3531 3537 8 3522 3531 7 3513 3522 7 3504 3513 7 3501 3504 12 3501 3531 12 3597 3600 1 3597 3603 2 3585 3591 31 3579 3585 31 3573 3579 31 3567 3573 31 3564 3567 31 3564 3591 31 3555 3564 32 3549 3555 7 3549 3597 8 3543 3549 12 3648 3651 1 3648 3654 2 3639 3642 22 3633 3639 24 3627 3633 26 3624 3627 27 3624 3642 28 3615 3624 29 3609 3615 7 3609 3648 8 3603 3609 12 3693 3696 1 3693 3699 2 3684 3687 15 3684 3690 15 3675 3684 8 3666 3675 7 3660 3666 7 3660 3693 8 3654 3660 12 3744 3747 1 3744 3750 2 3735 3738 22 3729 3735 24 3723 3729 26 3720 3723 27 3720 3738 28 3711 3720 29 3705 3711 7 3705 3744 8 3699 3705 12 3774 3777 1 3774 3780 2 3756 3762 7 3756 3774 8 3750 3756 12 3819 3822 1 3819 3825 2 3810 3813 15 3810 3816 15 3801 3810 8 3792 3801 7 3786 3792 7 3786 3819 8 3780 3786 12 3867 3870 1 3867 3873 2 3837 3843 7 3837 3855 7 3831 3837 7 3831 3867 8 3825 3831 12 3915 3918 1 3915 3921 2 3885 3891 7 3885 3903 7 3879 3885 7 3879 3915 8 3873 3879 12 3975 3978 1 3975 3981 2 3963 3969 31 3957 3963 31 3951 3957 31 3945 3951 31 3942 3945 31 3942 3969 31 3933 3942 32 3927 3933 7 3927 3975 8 3921 3927 12 4017 4020 1 4017 4023 2 3993 3999 7 3993 4011 20 3987 3993 7 3987 4017 8 3981 3987 12 4047 4050 1 4047 4053 2 4029 4035 7 4029 4047 8 4023 4029 12 4089 4092 1 4089 4095 2 4074 4077 1 4074 4080 2 4065 4074 8 4059 4065 7 4059 4089 8 4053 4059 12 4125 4128 1 4125 4131 2 4116 4119 15 4116 4122 15 4107 4116 8 4101 4107 7 4101 4125 8 4095 4101 12 4158 4161 1 4158 4164 2 4143 4152 20 4137 4143 7 4137 4158 8 4131 4137 12 4179 4182 1 4179 4185 2 4170 4179 8 4164 4170 12 4221 4224 1 4221 4227 2 4215 4221 8 4206 4215 7 4197 4206 7 4188 4197 7 4185 4188 12 4185 4215 12 4293 4296 1 4293 4299 2 4272 4275 17 4272 4284 17 4266 4272 17 4257 4266 18 4248 4257 7 4239 4248 7 4233 4239 7 4233 4293 8 4227 4233 12 4365 4368 1 4365 4371 2 4344 4347 17 4344 4356 17 4338 4344 17 4329 4338 18 4320 4329 7 4311 4320 7 4305 4311 7 4305 4365 8 4299 4305 12 4428 4431 1 4428 4434 2 4416 4422 31 4407 4410 42 4407 4416 43 4401 4407 43 4395 4401 31 4392 4395 31 4392 4422 31 4383 4392 32 4377 4383 7 4377 4428 8 4371 4377 12 4470 4473 1 4470 4476 2 4446 4452 7 4446 4464 20 4440 4446 7 4440 4470 8 4434 4440 12 4527 4530 1 4527 4533 2 4506 4515 7 4488 4494 7 4488 4506 7 4482 4488 7 4482 4527 8 4476 4482 12 4557 4560 1 4557 4563 2 4539 4545 7 4539 4557 8 4533 4539 12 4587 4590 1 4587 4593 2 4569 4575 7 4569 4587 8 4563 4569 12 4644 4647 1 4644 4650 2 4614 4620 7 4614 4632 7 4605 4614 7 4599 4605 7 4599 4644 8 4593 4599 12 4701 4704 1 4701 4707 2 4671 4677 7 4671 4689 7 4662 4671 7 4656 4662 7 4656 4701 8 4650 4656 12 4734 4737 1 4734 4740 2 4719 4728 20 4713 4719 7 4713 4734 8 4707 4713 12 4776 4779 1 4776 4782 2 4770 4776 8 4761 4770 7 4752 4761 7 4743 4752 7 4740 4743 12 4740 4770 12 4839 4842 1 4839 4845 2 4827 4833 31 4818 4821 42 4818 4827 43 4812 4818 43 4806 4812 31 4803 4806 31 4803 4833 31 4794 4803 32 4788 4794 7 4788 4839 8 4782 4788 12 4872 4875 1 4872 4878 2 4857 4866 20 4851 4857 7 4851 4872 8 4845 4851 12 4935 4938 1 4935 4941 2 4923 4929 31 4914 4917 42 4914 4923 43 4908 4914 43 4902 4908 31 4899 4902 31 4899 4929 31 4890 4899 32 4884 4890 7 4884 4935 8 4878 4884 12 4968 4971 1 4968 4974 2 4953 4962 20 4947 4953 7 4947 4968 8 4941 4947 12 5010 5013 1 5010 5016 2 4986 4992 7 4986 5004 20 4980 4986 7 4980 5010 8 4974 4980 12 5052 5055 1 5052 5058 2 5028 5034 7 5028 5046 20 5022 5028 7 5022 5052 8 5016 5022 12 5082 5085 1 5082 5088 2 5064 5070 7 5064 5082 8 5058 5064 12 5130 5133 1 5130 5136 2 5100 5106 7 5100 5118 7 5094 5100 7 5094 5130 8 5088 5094 12 5178 5181 1 5178 5184 2 5148 5154 7 5148 5166 7 5142 5148 7 5142 5178 8 5136 5142 12 5220 5223 1 5220 5226 2 5196 5202 7 5196 5214 20 5190 5196 7 5190 5220 8 5184 5190 12 5262 5265 15 5262 5268 15 5247 5250 1 5247 5253 2 5238 5247 8 5232 5238 7 5232 5262 8 5226 5232 12 %FLAG ANGLES_INC_HYDROGEN %FORMAT(10I8) 24 18 27 3 21 18 24 4 21 18 27 3 18 27 30 6 15 12 18 7 15 12 33 8 12 18 21 9 12 18 24 9 9 0 12 13 6 0 9 14 6 0 12 13 3 0 6 14 3 0 9 14 3 0 12 13 0 12 15 15 75 81 84 18 72 69 75 19 66 60 69 20 63 60 66 21 63 60 69 20 60 69 72 9 57 51 60 20 54 51 57 21 54 51 60 20 51 60 63 20 51 60 66 20 48 42 51 9 45 42 48 4 45 42 51 9 42 51 54 20 42 51 57 20 39 42 45 24 39 42 48 24 39 69 72 24 132 138 141 18 126 120 129 21 123 120 126 21 123 120 129 21 114 108 117 21 111 108 114 21 111 108 117 21 105 102 108 20 105 102 120 20 102 108 111 20 102 108 114 20 102 108 117 20 102 120 123 20 102 120 126 20 102 120 129 20 99 93 102 20 96 93 99 21 96 93 102 20 93 102 105 20 90 87 93 9 90 87 132 19 87 93 96 20 87 93 99 20 84 81 87 27 81 87 90 24 183 189 192 18 177 171 180 4 174 171 177 4 174 171 180 4 168 171 174 28 168 171 177 28 168 171 180 28 165 159 168 28 162 159 165 4 162 159 168 28 156 150 159 20 153 150 156 21 153 150 159 20 150 159 162 9 150 159 165 9 147 144 150 9 147 144 183 19 144 150 153 20 144 150 156 20 141 138 144 27 138 144 147 24 231 237 240 18 225 219 228 21 222 219 225 21 222 219 228 21 213 207 216 21 210 207 213 21 210 207 216 21 204 201 207 20 204 201 219 20 201 207 210 20 201 207 213 20 201 207 216 20 201 219 222 20 201 219 225 20 201 219 228 20 198 195 201 9 198 195 231 19 195 201 204 20 192 189 195 27 189 195 198 24 297 303 306 18 291 285 294 14 288 285 291 14 288 285 294 14 282 276 285 15 279 276 282 31 279 276 285 15 276 285 288 13 276 285 291 13 276 285 294 13 273 267 276 20 270 267 273 21 270 267 276 20 267 276 279 7 267 276 282 7 264 258 267 20 261 258 264 21 261 258 267 20 258 267 270 20 258 267 273 20 255 249 258 20 252 249 255 21 252 249 258 20 249 258 261 20 249 258 264 20 246 243 249 9 246 243 297 19 243 249 252 20 243 249 255 20 240 237 243 27 237 243 246 24 345 351 354 18 339 333 342 21 336 333 339 21 336 333 342 21 327 321 330 21 324 321 327 21 324 321 330 21 318 315 321 20 318 315 333 20 315 321 324 20 315 321 327 20 315 321 330 20 315 333 336 20 315 333 339 20 315 333 342 20 312 309 315 9 312 309 345 19 309 315 318 20 306 303 309 27 303 309 312 24 402 408 411 18 396 390 399 21 393 390 396 21 393 390 399 21 384 378 387 21 381 378 384 21 381 378 387 21 375 372 378 20 375 372 390 20 372 378 381 20 372 378 384 20 372 378 387 20 372 390 393 20 372 390 396 20 372 390 399 20 369 363 372 20 366 363 369 21 366 363 372 20 363 372 375 20 360 357 363 9 360 357 402 19 357 363 366 20 357 363 369 20 354 351 357 27 351 357 360 24 438 444 447 18 426 420 429 33 423 420 426 21 423 420 429 33 417 414 420 9 417 414 438 19 414 420 423 20 414 420 426 20 411 408 414 27 408 414 417 24 468 474 477 18 462 456 465 21 459 456 462 21 459 456 465 21 453 450 456 9 453 450 468 19 450 456 459 20 450 456 462 20 450 456 465 20 447 444 450 27 444 450 453 24 516 522 525 18 510 504 513 21 507 504 510 21 507 504 513 21 498 492 501 21 495 492 498 21 495 492 501 21 489 486 492 20 489 486 504 20 486 492 495 20 486 492 498 20 486 492 501 20 486 504 507 20 486 504 510 20 486 504 513 20 483 480 486 9 483 480 516 19 480 486 489 20 477 474 480 27 474 480 483 24 588 594 597 18 582 579 585 35 573 570 576 35 567 570 573 37 567 570 576 37 567 579 582 37 567 579 585 37 564 561 567 37 558 552 561 38 555 552 558 4 555 552 561 38 552 561 564 39 549 543 552 20 546 543 549 21 546 543 552 20 543 552 555 9 543 552 558 9 540 534 543 20 537 534 540 21 537 534 543 20 534 543 546 20 534 543 549 20 531 528 534 9 531 528 588 19 528 534 537 20 528 534 540 20 525 522 528 27 522 528 531 24 609 615 618 18 606 600 609 19 603 600 606 4 603 600 609 19 597 594 600 27 594 600 603 24 594 600 606 24 633 627 636 42 630 627 633 4 630 627 636 42 627 636 639 43 624 621 627 9 624 621 642 19 621 627 630 9 621 627 633 9 618 615 621 27 615 621 624 24 684 690 693 18 681 678 684 19 675 669 678 20 672 669 675 21 672 669 678 20 669 678 681 9 666 660 669 20 663 660 666 21 663 660 669 20 660 669 672 20 660 669 675 20 657 651 660 9 654 651 657 4 654 651 660 9 651 660 663 20 651 660 666 20 648 651 654 24 648 651 657 24 648 678 681 24 714 720 723 18 708 702 711 21 705 702 708 21 705 702 711 21 699 696 702 9 699 696 714 19 696 702 705 20 696 702 708 20 696 702 711 20 693 690 696 27 690 696 699 24 771 777 780 18 765 759 768 21 762 759 765 21 762 759 768 21 756 750 759 20 753 750 756 21 753 750 759 20 750 759 762 20 750 759 765 20 750 759 768 20 744 738 747 21 741 738 744 21 741 738 747 21 735 732 738 20 735 732 750 20 732 738 741 20 732 738 744 20 732 738 747 20 732 750 753 20 732 750 756 20 729 726 732 9 729 726 771 19 726 732 735 20 723 720 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3681 20 3663 3660 3666 9 3663 3660 3693 19 3660 3666 3669 20 3660 3666 3672 20 3657 3654 3660 27 3654 3660 3663 24 3744 3750 3753 18 3735 3738 3741 46 3732 3729 3735 47 3726 3723 3729 49 3723 3729 3732 51 3720 3723 3726 53 3720 3738 3741 56 3717 3711 3720 57 3714 3711 3717 21 3714 3711 3720 57 3708 3705 3711 9 3708 3705 3744 19 3705 3711 3714 20 3705 3711 3717 20 3702 3699 3705 27 3699 3705 3708 24 3774 3780 3783 18 3768 3762 3771 21 3765 3762 3768 21 3765 3762 3771 21 3759 3756 3762 9 3759 3756 3774 19 3756 3762 3765 20 3756 3762 3768 20 3756 3762 3771 20 3753 3750 3756 27 3750 3756 3759 24 3819 3825 3828 18 3807 3801 3810 33 3804 3801 3807 21 3804 3801 3810 33 3798 3792 3801 20 3795 3792 3798 21 3795 3792 3801 20 3792 3801 3804 20 3792 3801 3807 20 3789 3786 3792 9 3789 3786 3819 19 3786 3792 3795 20 3786 3792 3798 20 3783 3780 3786 27 3780 3786 3789 24 3867 3873 3876 18 3861 3855 3864 21 3858 3855 3861 21 3858 3855 3864 21 3849 3843 3852 21 3846 3843 3849 21 3846 3843 3852 21 3840 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4350 4347 4353 35 4344 4347 4350 37 4344 4347 4353 37 4344 4356 4359 37 4344 4356 4362 37 4341 4338 4344 37 4335 4329 4338 38 4332 4329 4335 4 4332 4329 4338 38 4329 4338 4341 39 4326 4320 4329 20 4323 4320 4326 21 4323 4320 4329 20 4320 4329 4332 9 4320 4329 4335 9 4317 4311 4320 20 4314 4311 4317 21 4314 4311 4320 20 4311 4320 4323 20 4311 4320 4326 20 4308 4305 4311 9 4308 4305 4365 19 4305 4311 4314 20 4305 4311 4317 20 4302 4299 4305 27 4299 4305 4308 24 4428 4434 4437 18 4419 4416 4422 61 4416 4422 4425 61 4407 4410 4413 88 4407 4416 4419 89 4404 4401 4407 89 4398 4395 4401 61 4395 4401 4404 61 4392 4395 4398 61 4392 4422 4425 61 4389 4383 4392 63 4386 4383 4389 21 4386 4383 4392 63 4380 4377 4383 9 4380 4377 4428 19 4377 4383 4386 20 4377 4383 4389 20 4374 4371 4377 27 4371 4377 4380 24 4470 4476 4479 18 4458 4452 4461 21 4455 4452 4458 21 4455 4452 4461 21 4449 4446 4452 9 4449 4446 4464 42 4446 4452 4455 20 4446 4452 4458 20 4446 4452 4461 20 4446 4464 4467 43 4443 4440 4446 9 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4911 61 4899 4902 4905 61 4899 4929 4932 61 4896 4890 4899 63 4893 4890 4896 21 4893 4890 4899 63 4887 4884 4890 9 4887 4884 4935 19 4884 4890 4893 20 4884 4890 4896 20 4881 4878 4884 27 4878 4884 4887 24 4968 4974 4977 18 4959 4953 4962 42 4956 4953 4959 4 4956 4953 4962 42 4953 4962 4965 43 4950 4947 4953 9 4950 4947 4968 19 4947 4953 4956 9 4947 4953 4959 9 4944 4941 4947 27 4941 4947 4950 24 5010 5016 5019 18 4998 4992 5001 21 4995 4992 4998 21 4995 4992 5001 21 4989 4986 4992 9 4989 4986 5004 42 4986 4992 4995 20 4986 4992 4998 20 4986 4992 5001 20 4986 5004 5007 43 4983 4980 4986 9 4983 4980 5010 19 4980 4986 4989 9 4977 4974 4980 27 4974 4980 4983 24 5052 5058 5061 18 5040 5034 5043 21 5037 5034 5040 21 5037 5034 5043 21 5031 5028 5034 9 5031 5028 5046 42 5028 5034 5037 20 5028 5034 5040 20 5028 5034 5043 20 5028 5046 5049 43 5025 5022 5028 9 5025 5022 5052 19 5022 5028 5031 9 5019 5016 5022 27 5016 5022 5025 24 5082 5088 5091 18 5076 5070 5079 21 5073 5070 5076 21 5073 5070 5079 21 5067 5064 5070 9 5067 5064 5082 19 5064 5070 5073 20 5064 5070 5076 20 5064 5070 5079 20 5061 5058 5064 27 5058 5064 5067 24 5130 5136 5139 18 5124 5118 5127 21 5121 5118 5124 21 5121 5118 5127 21 5112 5106 5115 21 5109 5106 5112 21 5109 5106 5115 21 5103 5100 5106 20 5103 5100 5118 20 5100 5106 5109 20 5100 5106 5112 20 5100 5106 5115 20 5100 5118 5121 20 5100 5118 5124 20 5100 5118 5127 20 5097 5094 5100 9 5097 5094 5130 19 5094 5100 5103 20 5091 5088 5094 27 5088 5094 5097 24 5178 5184 5187 18 5172 5166 5175 21 5169 5166 5172 21 5169 5166 5175 21 5160 5154 5163 21 5157 5154 5160 21 5157 5154 5163 21 5151 5148 5154 20 5151 5148 5166 20 5148 5154 5157 20 5148 5154 5160 20 5148 5154 5163 20 5148 5166 5169 20 5148 5166 5172 20 5148 5166 5175 20 5145 5142 5148 9 5145 5142 5178 19 5142 5148 5151 20 5139 5136 5142 27 5136 5142 5145 24 5220 5226 5229 18 5208 5202 5211 21 5205 5202 5208 21 5205 5202 5211 21 5199 5196 5202 9 5199 5196 5214 42 5196 5202 5205 20 5196 5202 5208 20 5196 5202 5211 20 5196 5214 5217 43 5193 5190 5196 9 5193 5190 5220 19 5190 5196 5199 9 5187 5184 5190 27 5184 5190 5193 24 5256 5253 5259 45 5247 5253 5256 18 5247 5253 5259 18 5244 5238 5247 33 5241 5238 5244 21 5241 5238 5247 33 5235 5232 5238 9 5235 5232 5262 19 5232 5238 5241 20 5232 5238 5244 20 5229 5226 5232 27 5226 5232 5235 24 %FLAG ANGLES_WITHOUT_HYDROGEN %FORMAT(10I8) 36 33 39 1 33 39 42 2 33 39 69 2 18 12 33 5 12 18 27 10 12 33 36 11 12 33 39 12 0 12 18 16 0 12 33 17 78 75 81 1 75 81 87 2 69 75 78 11 69 75 81 12 60 69 75 5 51 60 69 22 42 39 69 23 42 51 60 22 39 42 51 25 39 69 60 25 39 69 75 26 135 132 138 1 132 138 144 2 108 102 120 22 93 87 132 5 93 102 108 22 93 102 120 22 87 93 102 22 87 132 135 11 87 132 138 12 81 87 93 25 81 87 132 26 186 183 189 1 183 189 195 2 159 168 171 29 150 144 183 5 150 159 168 30 144 150 159 22 144 183 186 11 144 183 189 12 138 144 150 25 138 144 183 26 234 231 237 1 231 237 243 2 207 201 219 22 201 195 231 5 195 201 207 22 195 201 219 22 195 231 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2268 26 2316 2313 2319 1 2313 2319 2325 2 2307 2304 2310 32 2295 2304 2307 34 2295 2304 2310 34 2286 2280 2313 5 2286 2295 2304 5 2280 2286 2295 22 2280 2313 2316 11 2280 2313 2319 12 2274 2280 2286 25 2274 2280 2313 26 2361 2358 2364 1 2358 2364 2370 2 2352 2349 2355 32 2340 2349 2352 34 2340 2349 2355 34 2331 2325 2358 5 2331 2340 2349 5 2325 2331 2340 22 2325 2358 2361 11 2325 2358 2364 12 2319 2325 2331 25 2319 2325 2358 26 2412 2409 2415 1 2409 2415 2421 2 2397 2394 2400 1 2385 2394 2397 11 2385 2394 2400 12 2376 2370 2409 5 2376 2385 2394 5 2370 2376 2385 22 2370 2409 2412 11 2370 2409 2415 12 2364 2370 2376 25 2364 2370 2409 26 2472 2469 2475 1 2469 2475 2481 2 2451 2457 2463 62 2445 2451 2457 62 2439 2436 2463 62 2439 2445 2451 62 2436 2439 2445 62 2436 2463 2457 62 2427 2421 2469 5 2427 2436 2439 64 2427 2436 2463 64 2421 2427 2436 65 2421 2469 2472 11 2421 2469 2475 12 2415 2421 2427 25 2415 2421 2469 26 2520 2517 2523 1 2517 2523 2529 2 2493 2487 2505 22 2487 2481 2517 5 2481 2487 2493 22 2481 2487 2505 22 2481 2517 2520 11 2481 2517 2523 12 2475 2481 2487 25 2475 2481 2517 26 2565 2562 2568 1 2562 2568 2574 2 2556 2553 2559 32 2544 2553 2556 34 2544 2553 2559 34 2535 2529 2562 5 2535 2544 2553 5 2529 2535 2544 22 2529 2562 2565 11 2529 2562 2568 12 2523 2529 2535 25 2523 2529 2562 26 2586 2583 2589 1 2583 2589 2595 2 2574 2583 2586 11 2574 2583 2589 12 2568 2574 2583 26 2643 2640 2646 1 2640 2646 2652 2 2607 2601 2619 22 2601 2595 2640 5 2601 2619 2628 22 2595 2601 2607 22 2595 2601 2619 22 2595 2640 2643 11 2595 2640 2646 12 2589 2595 2601 25 2589 2595 2640 26 2706 2703 2709 1 2703 2709 2715 2 2685 2682 2691 87 2682 2691 2697 90 2676 2682 2685 87 2676 2682 2691 91 2670 2667 2697 62 2670 2676 2682 90 2667 2670 2676 62 2667 2697 2691 62 2658 2652 2703 5 2658 2667 2670 64 2658 2667 2697 64 2652 2658 2667 65 2652 2703 2706 11 2652 2703 2709 12 2646 2652 2658 25 2646 2652 2703 26 2772 2769 2775 1 2769 2775 2781 2 2739 2748 2757 16 2730 2739 2748 22 2721 2715 2769 5 2721 2730 2739 22 2715 2721 2730 22 2715 2769 2772 11 2715 2769 2775 12 2709 2715 2721 25 2709 2715 2769 26 2820 2817 2823 1 2817 2823 2829 2 2793 2787 2805 22 2787 2781 2817 5 2781 2787 2793 22 2781 2787 2805 22 2781 2817 2820 11 2781 2817 2823 12 2775 2781 2787 25 2775 2781 2817 26 2865 2862 2868 1 2862 2868 2874 2 2856 2853 2859 32 2844 2853 2856 34 2844 2853 2859 34 2835 2829 2862 5 2835 2844 2853 5 2829 2835 2844 22 2829 2862 2865 11 2829 2862 2868 12 2823 2829 2835 25 2823 2829 2862 26 2922 2919 2925 1 2919 2925 2931 2 2886 2880 2898 22 2880 2874 2919 5 2880 2898 2907 22 2874 2880 2886 22 2874 2880 2898 22 2874 2919 2922 11 2874 2919 2925 12 2868 2874 2880 25 2868 2874 2919 26 2958 2955 2961 1 2955 2961 2967 2 2949 2946 2952 32 2937 2931 2955 5 2937 2946 2949 34 2937 2946 2952 34 2931 2937 2946 5 2931 2955 2958 11 2931 2955 2961 12 2925 2931 2937 25 2925 2931 2955 26 3000 2997 3003 1 2997 3003 3009 2 2979 2973 2991 44 2973 2967 2997 5 2967 2973 2979 22 2967 2973 2991 44 2967 2997 3000 11 2967 2997 3003 12 2961 2967 2973 25 2961 2967 2997 26 3066 3063 3069 1 3063 3069 3075 2 3033 3042 3051 16 3024 3033 3042 22 3015 3009 3063 5 3015 3024 3033 22 3009 3015 3024 22 3009 3063 3066 11 3009 3063 3069 12 3003 3009 3015 25 3003 3009 3063 26 3099 3096 3102 1 3096 3102 3108 2 3081 3075 3096 5 3075 3081 3090 44 3075 3096 3099 11 3075 3096 3102 12 3069 3075 3081 25 3069 3075 3096 26 3162 3159 3165 1 3159 3165 3171 2 3141 3138 3147 87 3138 3147 3153 90 3132 3138 3141 87 3132 3138 3147 91 3126 3123 3153 62 3126 3132 3138 90 3123 3126 3132 62 3123 3153 3147 62 3114 3108 3159 5 3114 3123 3126 64 3114 3123 3153 64 3108 3114 3123 65 3108 3159 3162 11 3108 3159 3165 12 3102 3108 3114 25 3102 3108 3159 26 3234 3231 3237 1 3231 3237 3243 2 3216 3222 3228 67 3210 3216 3222 62 3204 3201 3228 68 3204 3210 3216 62 3201 3204 3210 70 3201 3228 3222 71 3195 3201 3204 73 3195 3201 3228 74 3189 3186 3228 76 3189 3195 3201 78 3186 3189 3195 80 3186 3228 3201 81 3186 3228 3222 82 3177 3171 3231 5 3177 3186 3189 84 3177 3186 3228 85 3171 3177 3186 86 3171 3231 3234 11 3171 3231 3237 12 3165 3171 3177 25 3165 3171 3231 26 3300 3297 3303 1 3297 3303 3309 2 3267 3276 3285 16 3258 3267 3276 22 3249 3243 3297 5 3249 3258 3267 22 3243 3249 3258 22 3243 3297 3300 11 3243 3297 3303 12 3237 3243 3249 25 3237 3243 3297 26 3330 3327 3333 1 3327 3333 3339 2 3315 3309 3327 5 3309 3327 3330 11 3309 3327 3333 12 3303 3309 3315 25 3303 3309 3327 26 3387 3384 3390 1 3384 3390 3396 2 3360 3354 3372 22 3345 3339 3384 5 3345 3354 3360 22 3345 3354 3372 22 3339 3345 3354 22 3339 3384 3387 11 3339 3384 3390 12 3333 3339 3345 25 3333 3339 3384 26 3408 3405 3411 1 3405 3411 3417 2 3396 3405 3408 11 3396 3405 3411 12 3390 3396 3405 26 3465 3462 3468 1 3462 3468 3474 2 3429 3423 3441 22 3423 3417 3462 5 3423 3441 3450 22 3417 3423 3429 22 3417 3423 3441 22 3417 3462 3465 11 3417 3462 3468 12 3411 3417 3423 25 3411 3417 3462 26 3498 3495 3501 1 3495 3501 3504 2 3495 3501 3531 2 3480 3474 3495 5 3474 3480 3489 44 3474 3495 3498 11 3474 3495 3501 12 3468 3474 3480 25 3468 3474 3495 26 3540 3537 3543 1 3537 3543 3549 2 3531 3537 3540 11 3531 3537 3543 12 3522 3531 3537 5 3513 3522 3531 22 3504 3501 3531 23 3504 3513 3522 22 3501 3504 3513 25 3501 3531 3522 25 3501 3531 3537 26 3600 3597 3603 1 3597 3603 3609 2 3579 3585 3591 62 3573 3579 3585 62 3567 3564 3591 62 3567 3573 3579 62 3564 3567 3573 62 3564 3591 3585 62 3555 3549 3597 5 3555 3564 3567 64 3555 3564 3591 64 3549 3555 3564 65 3549 3597 3600 11 3549 3597 3603 12 3543 3549 3555 25 3543 3549 3597 26 3651 3648 3654 1 3648 3654 3660 2 3633 3639 3642 48 3627 3624 3642 50 3627 3633 3639 52 3624 3627 3633 54 3624 3642 3639 55 3615 3609 3648 5 3615 3624 3627 58 3615 3624 3642 59 3609 3615 3624 60 3609 3648 3651 11 3609 3648 3654 12 3603 3609 3615 25 3603 3609 3648 26 3696 3693 3699 1 3693 3699 3705 2 3687 3684 3690 32 3675 3684 3687 34 3675 3684 3690 34 3666 3660 3693 5 3666 3675 3684 5 3660 3666 3675 22 3660 3693 3696 11 3660 3693 3699 12 3654 3660 3666 25 3654 3660 3693 26 3747 3744 3750 1 3744 3750 3756 2 3729 3735 3738 48 3723 3720 3738 50 3723 3729 3735 52 3720 3723 3729 54 3720 3738 3735 55 3711 3705 3744 5 3711 3720 3723 58 3711 3720 3738 59 3705 3711 3720 60 3705 3744 3747 11 3705 3744 3750 12 3699 3705 3711 25 3699 3705 3744 26 3777 3774 3780 1 3774 3780 3786 2 3762 3756 3774 5 3756 3774 3777 11 3756 3774 3780 12 3750 3756 3762 25 3750 3756 3774 26 3822 3819 3825 1 3819 3825 3831 2 3813 3810 3816 32 3801 3810 3813 34 3801 3810 3816 34 3792 3786 3819 5 3792 3801 3810 5 3786 3792 3801 22 3786 3819 3822 11 3786 3819 3825 12 3780 3786 3792 25 3780 3786 3819 26 3870 3867 3873 1 3867 3873 3879 2 3843 3837 3855 22 3837 3831 3867 5 3831 3837 3843 22 3831 3837 3855 22 3831 3867 3870 11 3831 3867 3873 12 3825 3831 3837 25 3825 3831 3867 26 3918 3915 3921 1 3915 3921 3927 2 3891 3885 3903 22 3885 3879 3915 5 3879 3885 3891 22 3879 3885 3903 22 3879 3915 3918 11 3879 3915 3921 12 3873 3879 3885 25 3873 3879 3915 26 3978 3975 3981 1 3975 3981 3987 2 3957 3963 3969 62 3951 3957 3963 62 3945 3942 3969 62 3945 3951 3957 62 3942 3945 3951 62 3942 3969 3963 62 3933 3927 3975 5 3933 3942 3945 64 3933 3942 3969 64 3927 3933 3942 65 3927 3975 3978 11 3927 3975 3981 12 3921 3927 3933 25 3921 3927 3975 26 4020 4017 4023 1 4017 4023 4029 2 3999 3993 4011 44 3993 3987 4017 5 3987 3993 3999 22 3987 3993 4011 44 3987 4017 4020 11 3987 4017 4023 12 3981 3987 3993 25 3981 3987 4017 26 4050 4047 4053 1 4047 4053 4059 2 4035 4029 4047 5 4029 4047 4050 11 4029 4047 4053 12 4023 4029 4035 25 4023 4029 4047 26 4092 4089 4095 1 4089 4095 4101 2 4077 4074 4080 1 4065 4059 4089 5 4065 4074 4077 11 4065 4074 4080 12 4059 4065 4074 5 4059 4089 4092 11 4059 4089 4095 12 4053 4059 4065 25 4053 4059 4089 26 4128 4125 4131 1 4125 4131 4137 2 4119 4116 4122 32 4107 4101 4125 5 4107 4116 4119 34 4107 4116 4122 34 4101 4107 4116 5 4101 4125 4128 11 4101 4125 4131 12 4095 4101 4107 25 4095 4101 4125 26 4161 4158 4164 1 4158 4164 4170 2 4143 4137 4158 5 4137 4143 4152 44 4137 4158 4161 11 4137 4158 4164 12 4131 4137 4143 25 4131 4137 4158 26 4182 4179 4185 1 4179 4185 4188 2 4179 4185 4215 2 4170 4179 4182 11 4170 4179 4185 12 4164 4170 4179 26 4224 4221 4227 1 4221 4227 4233 2 4215 4221 4224 11 4215 4221 4227 12 4206 4215 4221 5 4197 4206 4215 22 4188 4185 4215 23 4188 4197 4206 22 4185 4188 4197 25 4185 4215 4206 25 4185 4215 4221 26 4296 4293 4299 1 4293 4299 4305 2 4275 4272 4284 36 4266 4272 4275 36 4266 4272 4284 36 4257 4266 4272 40 4248 4257 4266 41 4239 4233 4293 5 4239 4248 4257 22 4233 4239 4248 22 4233 4293 4296 11 4233 4293 4299 12 4227 4233 4239 25 4227 4233 4293 26 4368 4365 4371 1 4365 4371 4377 2 4347 4344 4356 36 4338 4344 4347 36 4338 4344 4356 36 4329 4338 4344 40 4320 4329 4338 41 4311 4305 4365 5 4311 4320 4329 22 4305 4311 4320 22 4305 4365 4368 11 4305 4365 4371 12 4299 4305 4311 25 4299 4305 4365 26 4431 4428 4434 1 4428 4434 4440 2 4410 4407 4416 87 4407 4416 4422 90 4401 4407 4410 87 4401 4407 4416 91 4395 4392 4422 62 4395 4401 4407 90 4392 4395 4401 62 4392 4422 4416 62 4383 4377 4428 5 4383 4392 4395 64 4383 4392 4422 64 4377 4383 4392 65 4377 4428 4431 11 4377 4428 4434 12 4371 4377 4383 25 4371 4377 4428 26 4473 4470 4476 1 4470 4476 4482 2 4452 4446 4464 44 4446 4440 4470 5 4440 4446 4452 22 4440 4446 4464 44 4440 4470 4473 11 4440 4470 4476 12 4434 4440 4446 25 4434 4440 4470 26 4530 4527 4533 1 4527 4533 4539 2 4494 4488 4506 22 4488 4482 4527 5 4488 4506 4515 22 4482 4488 4494 22 4482 4488 4506 22 4482 4527 4530 11 4482 4527 4533 12 4476 4482 4488 25 4476 4482 4527 26 4560 4557 4563 1 4557 4563 4569 2 4545 4539 4557 5 4539 4557 4560 11 4539 4557 4563 12 4533 4539 4545 25 4533 4539 4557 26 4590 4587 4593 1 4587 4593 4599 2 4575 4569 4587 5 4569 4587 4590 11 4569 4587 4593 12 4563 4569 4575 25 4563 4569 4587 26 4647 4644 4650 1 4644 4650 4656 2 4620 4614 4632 22 4605 4599 4644 5 4605 4614 4620 22 4605 4614 4632 22 4599 4605 4614 22 4599 4644 4647 11 4599 4644 4650 12 4593 4599 4605 25 4593 4599 4644 26 4704 4701 4707 1 4701 4707 4713 2 4677 4671 4689 22 4662 4656 4701 5 4662 4671 4677 22 4662 4671 4689 22 4656 4662 4671 22 4656 4701 4704 11 4656 4701 4707 12 4650 4656 4662 25 4650 4656 4701 26 4737 4734 4740 1 4734 4740 4743 2 4734 4740 4770 2 4719 4713 4734 5 4713 4719 4728 44 4713 4734 4737 11 4713 4734 4740 12 4707 4713 4719 25 4707 4713 4734 26 4779 4776 4782 1 4776 4782 4788 2 4770 4776 4779 11 4770 4776 4782 12 4761 4770 4776 5 4752 4761 4770 22 4743 4740 4770 23 4743 4752 4761 22 4740 4743 4752 25 4740 4770 4761 25 4740 4770 4776 26 4842 4839 4845 1 4839 4845 4851 2 4821 4818 4827 87 4818 4827 4833 90 4812 4818 4821 87 4812 4818 4827 91 4806 4803 4833 62 4806 4812 4818 90 4803 4806 4812 62 4803 4833 4827 62 4794 4788 4839 5 4794 4803 4806 64 4794 4803 4833 64 4788 4794 4803 65 4788 4839 4842 11 4788 4839 4845 12 4782 4788 4794 25 4782 4788 4839 26 4875 4872 4878 1 4872 4878 4884 2 4857 4851 4872 5 4851 4857 4866 44 4851 4872 4875 11 4851 4872 4878 12 4845 4851 4857 25 4845 4851 4872 26 4938 4935 4941 1 4935 4941 4947 2 4917 4914 4923 87 4914 4923 4929 90 4908 4914 4917 87 4908 4914 4923 91 4902 4899 4929 62 4902 4908 4914 90 4899 4902 4908 62 4899 4929 4923 62 4890 4884 4935 5 4890 4899 4902 64 4890 4899 4929 64 4884 4890 4899 65 4884 4935 4938 11 4884 4935 4941 12 4878 4884 4890 25 4878 4884 4935 26 4971 4968 4974 1 4968 4974 4980 2 4953 4947 4968 5 4947 4953 4962 44 4947 4968 4971 11 4947 4968 4974 12 4941 4947 4953 25 4941 4947 4968 26 5013 5010 5016 1 5010 5016 5022 2 4992 4986 5004 44 4986 4980 5010 5 4980 4986 4992 22 4980 4986 5004 44 4980 5010 5013 11 4980 5010 5016 12 4974 4980 4986 25 4974 4980 5010 26 5055 5052 5058 1 5052 5058 5064 2 5034 5028 5046 44 5028 5022 5052 5 5022 5028 5034 22 5022 5028 5046 44 5022 5052 5055 11 5022 5052 5058 12 5016 5022 5028 25 5016 5022 5052 26 5085 5082 5088 1 5082 5088 5094 2 5070 5064 5082 5 5064 5082 5085 11 5064 5082 5088 12 5058 5064 5070 25 5058 5064 5082 26 5133 5130 5136 1 5130 5136 5142 2 5106 5100 5118 22 5100 5094 5130 5 5094 5100 5106 22 5094 5100 5118 22 5094 5130 5133 11 5094 5130 5136 12 5088 5094 5100 25 5088 5094 5130 26 5181 5178 5184 1 5178 5184 5190 2 5154 5148 5166 22 5148 5142 5178 5 5142 5148 5154 22 5142 5148 5166 22 5142 5178 5181 11 5142 5178 5184 12 5136 5142 5148 25 5136 5142 5178 26 5223 5220 5226 1 5220 5226 5232 2 5202 5196 5214 44 5196 5190 5220 5 5190 5196 5202 22 5190 5196 5214 44 5190 5220 5223 11 5190 5220 5226 12 5184 5190 5196 25 5184 5190 5220 26 5265 5262 5268 32 5250 5247 5253 1 5238 5232 5262 5 5238 5247 5250 11 5238 5247 5253 12 5232 5238 5247 5 5232 5262 5265 34 5232 5262 5268 34 5226 5232 5238 25 5226 5232 5262 26 %FLAG DIHEDRALS_INC_HYDROGEN %FORMAT(10I8) 33 39 42 45 2 33 39 42 48 2 33 39 69 72 2 24 18 12 33 7 24 18 27 30 8 21 18 12 33 7 21 18 27 30 8 15 12 18 21 7 15 12 18 24 7 15 12 18 27 7 15 12 33 36 2 15 12 33 39 2 12 18 27 30 8 9 0 12 15 7 9 0 12 18 7 9 0 12 33 7 6 0 12 15 7 6 0 12 18 7 6 0 12 33 7 3 0 12 15 7 3 0 12 18 7 3 0 12 33 7 0 12 18 21 7 0 12 18 24 7 78 75 81 84 11 78 75 -81 84 1 75 81 87 90 2 72 69 75 78 12 72 69 -75 78 13 72 69 75 81 2 69 75 81 84 1 66 60 69 72 7 66 60 69 75 7 63 60 69 72 7 63 60 69 75 7 57 51 60 63 14 57 51 60 66 14 57 51 60 69 15 54 51 60 63 14 54 51 60 66 14 54 51 60 69 15 51 60 69 72 7 48 42 39 69 2 48 42 51 54 7 48 42 51 57 7 48 42 51 60 7 45 42 39 69 2 45 42 51 54 7 45 42 51 57 7 45 42 51 60 7 42 39 69 72 2 42 51 60 63 15 42 51 60 66 15 39 42 51 54 7 39 42 51 57 7 39 69 60 63 7 39 69 60 66 7 135 132 138 141 11 135 132 -138 141 1 132 138 144 147 2 117 108 102 120 15 114 108 102 120 15 111 108 102 120 15 108 102 120 123 15 108 102 120 126 15 108 102 120 129 15 105 102 108 111 14 105 102 108 114 14 105 102 108 117 14 105 102 120 123 14 105 102 120 126 14 105 102 120 129 14 99 93 87 132 7 99 93 102 105 14 99 93 102 108 15 99 93 102 120 15 96 93 87 132 7 96 93 102 105 14 96 93 102 108 15 96 93 102 120 15 93 102 108 111 15 93 102 108 114 15 93 102 108 117 15 93 102 120 123 15 93 102 120 126 15 93 102 120 129 15 90 87 93 96 7 90 87 93 99 7 90 87 93 102 7 90 87 132 135 12 90 87 -132 135 13 90 87 132 138 2 87 93 102 105 15 87 132 138 141 1 84 81 87 90 2 84 81 87 93 2 84 81 87 132 2 81 87 93 96 7 81 87 93 99 7 186 183 189 192 11 186 183 -189 192 1 183 189 195 198 2 165 159 168 171 21 162 159 168 171 21 159 168 171 174 21 159 168 171 177 21 159 168 171 180 21 156 150 144 183 7 156 150 159 162 7 156 150 159 165 7 156 150 159 168 7 153 150 144 183 7 153 150 159 162 7 153 150 159 165 7 153 150 159 168 7 147 144 150 153 7 147 144 150 156 7 147 144 150 159 7 147 144 183 186 12 147 144 -183 186 13 147 144 183 189 2 144 150 159 162 7 144 150 159 165 7 144 183 189 192 1 141 138 144 147 2 141 138 144 150 2 141 138 144 183 2 138 144 150 153 7 138 144 150 156 7 234 231 237 240 11 234 231 -237 240 1 231 237 243 246 2 216 207 201 219 15 213 207 201 219 15 210 207 201 219 15 207 201 219 222 15 207 201 219 225 15 207 201 219 228 15 204 201 195 231 7 204 201 207 210 14 204 201 207 213 14 204 201 207 216 14 204 201 219 222 14 204 201 219 225 14 204 201 219 228 14 198 195 201 204 7 198 195 201 207 7 198 195 201 219 7 198 195 231 234 12 198 195 -231 234 13 198 195 231 237 2 195 201 207 210 15 195 201 207 213 15 195 201 207 216 15 195 201 219 222 15 195 201 219 225 15 195 201 219 228 15 195 231 237 240 1 192 189 195 198 2 192 189 195 201 2 192 189 195 231 2 189 195 201 204 7 300 297 303 306 11 300 297 -303 306 1 297 303 309 312 2 282 276 285 288 7 282 276 285 291 7 282 276 285 294 7 279 276 285 288 7 279 276 285 291 7 279 276 285 294 7 273 267 276 279 7 273 267 276 282 7 273 267 276 285 7 270 267 276 279 7 270 267 276 282 7 270 267 276 285 7 267 276 285 288 7 267 276 285 291 7 267 276 285 294 7 264 258 267 270 14 264 258 267 273 14 264 258 267 276 15 261 258 267 270 14 261 258 267 273 14 261 258 267 276 15 258 267 276 279 7 258 267 276 282 7 255 249 243 297 7 255 249 258 261 14 255 249 258 264 14 255 249 258 267 15 252 249 243 297 7 252 249 258 261 14 252 249 258 264 14 252 249 258 267 15 249 258 267 270 15 249 258 267 273 15 246 243 249 252 7 246 243 249 255 7 246 243 249 258 7 246 243 297 300 12 246 243 -297 300 13 246 243 297 303 2 243 249 258 261 15 243 249 258 264 15 243 297 303 306 1 240 237 243 246 2 240 237 243 249 2 240 237 243 297 2 237 243 249 252 7 237 243 249 255 7 348 345 351 354 11 348 345 -351 354 1 345 351 357 360 2 330 321 315 333 15 327 321 315 333 15 324 321 315 333 15 321 315 333 336 15 321 315 333 339 15 321 315 333 342 15 318 315 309 345 7 318 315 321 324 14 318 315 321 327 14 318 315 321 330 14 318 315 333 336 14 318 315 333 339 14 318 315 333 342 14 312 309 315 318 7 312 309 315 321 7 312 309 315 333 7 312 309 345 348 12 312 309 -345 348 13 312 309 345 351 2 309 315 321 324 15 309 315 321 327 15 309 315 321 330 15 309 315 333 336 15 309 315 333 339 15 309 315 333 342 15 309 345 351 354 1 306 303 309 312 2 306 303 309 315 2 306 303 309 345 2 303 309 315 318 7 405 402 408 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1743 1744 1745 1746 1747 1755 1743 1744 1745 1744 1745 1746 1747 1748 1749 1750 1755 1756 1757 1745 1746 1747 1755 1746 1747 1748 1749 1750 1751 1752 1755 1756 1757 1747 1748 1749 1750 1755 1756 1757 1748 1749 1750 1751 1752 1753 1754 1755 1756 1757 1749 1750 1751 1752 1755 1750 1751 1752 1755 1751 1752 1753 1754 1755 1752 1753 1754 1753 1754 1754 0 1756 1757 1757 0 %FLAG HBOND_ACOEF %FORMAT(5E16.8) %FLAG HBOND_BCOEF %FORMAT(5E16.8) %FLAG HBCUT %FORMAT(5E16.8) %FLAG AMBER_ATOM_TYPE %FORMAT(20a4) N3 H H H CT HP CT H1 H1 SH HS C O N CT H1 H1 CT HC HC CT HC HC CT H1 C O N H CT H1 CT HC HC CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC CT H1 H1 S CT H1 H1 H1 C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC CT HC HC CT HC HC CT HP HP N3 H H H C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC C O2 O2 C O N H CT H1 CT HC HC HC C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 H1 C O N H CT H1 CT H1 H1 OH HO C O N CT H1 H1 CT HC HC CT HC HC CT H1 C O N H CT H1 CT HC HC HC C O N H CT H1 CT HC CT HC HC HC CT HC HC CT HC HC HC C O N H CT H1 CT HC HC C O N H H C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC HC C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC CC NA H CR H5 NB CV H4 C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT HC HC CT HC HC CT HC HC CT HP HP N3 H H H C O N H CT H1 CT HC HC HC C O N H CT H1 CT HC HC HC C O N H CT H1 CT HC HC C O2 O2 C O N H CT H1 CT HC HC C O2 O2 C O N H CT H1 CT H1 CT HC HC HC OH HO C O N H CT H1 CT HC HC C* CW H4 NA H CN CA HA CA HA CA HA CA HA CB C O N H CT H1 CT HC HC CT HC HC C O2 O2 C O N CT H1 H1 CT HC HC CT HC HC CT H1 C O N H CT H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H CT H1 CT HC HC HC C O N H CT H1 CT H1 H1 OH HO C O N H CT H1 H1 C O N H CT H1 CT HC HC CT HC HC CT HC HC CT HP HP N3 H H H C O N H CT H1 CT H1 CT HC HC HC OH HO C O N H CT H1 CT H1 H1 OH HO C O N H CT H1 CT HC HC CT HC HC C O2 O2 C O N H CT H1 CT H1 H1 OH HO C O N H CT H1 H1 C O N H CT H1 CT HC HC CT HC HC C O2 O2 C O N H CT H1 CT HC HC CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC CC NA H CR H5 NB CV H4 C O N H CT H1 H1 C O N H CT H1 CT HC HC CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT H1 CT HC HC HC OH HO C O N H CT H1 CT H1 CT HC HC HC OH HO C O N H CT H1 CT HC HC CT HC HC C O2 O2 C O N H CT H1 CT HC HC CT HC HC C O2 O2 C O N H CT H1 CT HC HC CT HC HC C O N H H C O N H CT H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC CT HC HC C O2 O2 C O N H CT H1 H1 C O N H CT H1 CT HC CT HC HC HC CT HC HC CT HC HC HC C O N H CT H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H CT H1 CT HC HC CT HC HC CT HC HC CT HP HP N3 H H H C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC CT HC HC C O2 O2 C O N H CT H1 CT HC CT HC HC HC CT HC HC CT HC HC HC C O N H CT H1 CT HC HC C O2 O2 C O N H CT H1 CT H1 CT HC HC HC OH HO C O N H CT H1 CT HC HC CT HC HC CT HC HC CT HP HP N3 H H H C O N H CT H1 CT H1 H1 OH HO C O N H CT H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H CT H1 CT HC HC C* CW H4 NA H CN CA HA CA HA CA HA CA HA CB C O N H CT H1 CT HC HC CT HC HC CT HC HC CT HP HP N3 H H H C O N H CT H1 CT HC HC HC C O N H CT H1 CT HC HC CT HC CT HC HC HC CT HC HC HC C O N H CT H1 H1 C O N H CT H1 CT HC CT HC HC HC CT HC HC CT HC HC HC C O N H CT H1 CT H1 H1 OH HO C O N CT H1 H1 CT HC HC CT HC HC CT H1 C O N H CT H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H CT H1 CT HC HC CC NA H CR H5 NB CV H4 C O N H CT H1 CT HC HC CT HC HC C O2 O2 C O N H CT H1 CT HC HC CC NA H CR H5 NB CV H4 C O N H CT H1 CT HC HC HC C O N H CT H1 CT HC HC CT HC HC C O2 O2 C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H CT H1 CT H1 CT HC HC HC OH HO C O N H CT H1 CT HC HC HC C O N H CT H1 CT HC HC C O N H H C O N H CT H1 CT HC HC C O2 O2 C O N H CT H1 CT H1 H1 OH HO C O N H CT H1 H1 C O N CT H1 H1 CT HC HC CT HC HC CT H1 C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT HC HC CT HC HC CT H1 H1 N2 H CA N2 H H N2 H H C O N H CT H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H CT H1 CT H1 CT HC HC HC OH HO C O N H CT H1 CT HC CT HC HC HC CT HC HC CT HC HC HC C O N H CT H1 CT HC HC HC C O N H CT H1 CT HC HC HC C O N H CT H1 CT HC HC CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT H1 H1 OH HO C O N CT H1 H1 CT HC HC CT HC HC CT H1 C O N H CT H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H CT H1 CT H1 H1 OH HO C O N H CT H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H CT H1 CT H1 H1 OH HO C O N H CT H1 CT H1 CT HC HC HC OH HO C O N H CT H1 CT H1 CT HC HC HC OH HO C O N H CT H1 CT HC HC HC C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT H1 CT HC HC HC OH HO C O N H CT H1 CT HC HC C O N H H C O2 O2 %FLAG TREE_CHAIN_CLASSIFICATION %FORMAT(20a4) BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA M 3 E E 3 E E B E E M E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E E S 3 E E E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E B E E M E M E M E 3 E E E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E E 3 E E B E B B E E B E E M E M E M E E M E M E M E 3 E E S E M E M 3 E E 3 E E B E E M E M E M E M E 3 E E E M E M E M E 3 E 3 E E E 3 E E 3 E E E M E M E M E 3 E E B E B E E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E E E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E E B S E S E S B E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E E B B E B E B E S E S E M E M E M E 3 E E 3 E E 3 E E B E B B E E B E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E E E M E M E M E 3 E E E M E M E M E 3 E E B E E M E M E M E 3 E E B E E M E M E M E 3 E 3 E E E S E M E M E M E 3 E E B B E B E S B E B E B E S E E M E M E M E 3 E E 3 E E B E E M E M 3 E E 3 E E B E E M E M E M E M E 3 E E B B E B E B E S E S E M E M E M E 3 E E E M E M E M E 3 E E S E M E M E M E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E 3 E E E S E M E M E M E 3 E E S E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E E S E M E M E M E E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E B S E S E S B E M E M E M E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E 3 E E E S E M E M E M E 3 E 3 E E E S E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E E 3 E E B E B E E M E M E M E 3 E E B B E B E B E S E S E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E E B E E M E M E M E E M E M E M E 3 E 3 E E E 3 E E 3 E E E M E M E M E 3 E E B B E B E B S E S E S E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E 3 E E E 3 E E 3 E E E M E M E M E 3 E E B E E M E M E M E 3 E 3 E E E S E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E E S E M E M E M E 3 E E B B E B E B S E S E S E M E M E M E 3 E E B B E B E S B E B E B E S E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E E M E M E M E 3 E 3 E E E 3 E E 3 E E E M E M E M E 3 E E S E M E M 3 E E 3 E E B E E M E M E M E M E 3 E E B B E B E B E S E S E M E M E M E 3 E E B S E S E S B E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E E B S E S E S B E M E M E M E 3 E E E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E E B B E B E B E S E S E M E M E M E 3 E 3 E E E S E M E M E M E 3 E E E M E M E M E 3 E E B E B E E M E M E M E 3 E E B E E M E M E M E 3 E E S E M E M E M E E M E M 3 E E 3 E E B E E M E M E M E M E 3 E E 3 E E 3 E E B E B B E E B E E M E M E M E 3 E E 3 E E 3 E E B E B B E E B E E M E M E M E 3 E E B B E B E B S E S E S E M E M E M E 3 E 3 E E E S E M E M E M E 3 E 3 E E E 3 E E 3 E E E M E M E M E 3 E E E M E M E M E 3 E E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E S E M E M 3 E E 3 E E B E E M E M E M E M E 3 E E B B E B E B S E S E S E M E M E M E 3 E E S E M E M E M E 3 E E B B E B E B S E S E S E M E M E M E 3 E E S E M E M E M E 3 E 3 E E E S E M E M E M E 3 E 3 E E E S E M E M E M E 3 E E E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E 3 E E E S E M E 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 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