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1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.20100000E+01 1.00800000E+00 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 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 1.60000000E+01 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 1.00800000E+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 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.60000000E+01 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 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.60000000E+01 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 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.40100000E+01 1.00800000E+00 1.20100000E+01 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 1.00800000E+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 1.20100000E+01 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+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 1.20100000E+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 1.00800000E+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 1.00800000E+00 1.20100000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.40100000E+01 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+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 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.40100000E+01 1.00800000E+00 1.20100000E+01 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 1.00800000E+00 1.20100000E+01 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+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 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.40100000E+01 1.00800000E+00 1.20100000E+01 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 1.60000000E+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 3.20600000E+01 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 1.20100000E+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 1.60000000E+01 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.60000000E+01 1.60000000E+01 1.00800000E+00 1.00800000E+00 0.00000000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 0.00000000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 0.00000000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 0.00000000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 0.00000000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 0.00000000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 0.00000000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 0.00000000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 0.00000000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 0.00000000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 0.00000000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 0.00000000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 0.00000000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 0.00000000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 0.00000000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 0.00000000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 0.00000000E+00 %FLAG ATOM_TYPE_INDEX %FORMAT(10I8) 1 2 2 2 3 4 3 5 5 6 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 3 9 9 7 8 8 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 7 10 7 10 7 11 12 7 10 7 10 7 8 1 2 3 5 5 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 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 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 5 5 6 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 11 12 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 10 7 10 7 10 7 10 7 10 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 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 3 5 5 6 3 5 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 9 7 8 1 2 3 5 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 9 3 9 9 7 8 8 7 8 1 2 3 5 3 5 3 9 9 9 11 12 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 7 13 1 2 7 7 10 7 10 7 10 7 10 7 7 8 1 2 3 5 3 5 5 6 7 8 1 2 3 5 3 9 9 7 8 8 7 8 1 2 3 5 3 9 9 7 7 13 1 2 7 7 10 7 10 7 10 7 10 7 7 8 1 2 3 5 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 5 3 9 9 9 11 12 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 3 9 9 3 5 5 1 2 7 1 2 2 1 2 2 7 8 1 2 3 5 3 5 5 11 12 7 8 1 2 3 5 3 9 9 7 7 10 7 10 7 11 12 7 10 7 10 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 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 9 7 8 1 2 3 5 3 9 9 7 8 8 7 8 1 2 3 5 3 5 5 6 7 8 1 2 3 5 3 5 3 9 9 9 11 12 7 8 1 2 3 5 3 9 9 7 7 13 1 2 7 7 10 7 10 7 10 7 10 7 7 8 1 2 3 5 3 9 9 7 1 2 7 14 1 2 7 13 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 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 9 3 9 9 3 9 9 3 4 4 1 2 2 2 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 5 5 6 7 8 1 2 3 5 3 9 9 7 7 10 7 10 7 10 7 10 7 10 7 8 1 2 3 5 3 9 9 7 7 13 1 2 7 7 10 7 10 7 10 7 10 7 7 8 1 3 5 5 3 9 9 3 9 9 3 5 7 8 1 2 3 5 3 9 9 7 8 1 2 2 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 9 7 8 8 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 10 7 10 7 10 7 10 7 10 7 8 1 2 3 5 3 9 9 7 7 10 7 10 7 10 7 10 7 10 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 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 14 1 7 13 7 8 1 2 3 5 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 7 7 10 7 10 7 11 12 7 10 7 10 7 8 1 2 3 5 3 9 9 7 7 10 7 10 7 10 7 10 7 10 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 5 5 11 12 7 8 1 2 3 5 3 5 5 6 7 8 1 3 5 5 3 9 9 3 9 9 3 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 11 12 7 8 8 15 16 16 17 15 16 16 17 15 16 16 17 15 16 16 17 15 16 16 17 15 16 16 17 15 16 16 17 15 16 16 17 15 16 16 17 15 16 16 17 15 16 16 17 15 16 16 17 15 16 16 17 15 16 16 17 15 16 16 17 15 16 16 17 15 16 16 17 %FLAG NUMBER_EXCLUDED_ATOMS %FORMAT(10I8) 12 6 5 4 11 7 8 4 3 6 7 3 10 4 13 7 11 6 5 8 4 3 4 3 2 1 1 7 3 10 4 13 7 11 6 5 6 4 3 2 1 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 12 5 4 10 8 4 7 3 6 4 1 3 2 1 1 7 3 7 4 7 4 3 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 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 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 11 7 8 4 3 6 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 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 13 7 11 6 5 8 4 3 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 12 7 8 5 4 3 1 1 7 3 10 4 13 7 10 6 5 8 3 2 4 3 2 1 1 7 3 10 4 13 7 11 6 5 6 4 3 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 7 4 7 4 3 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 14 7 10 7 6 3 2 1 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 12 7 12 5 4 11 7 4 7 3 8 7 4 6 3 4 3 2 1 1 7 3 10 4 11 7 8 4 3 6 7 3 10 4 12 7 8 5 4 3 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 7 4 7 4 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 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 13 7 12 6 5 9 5 4 7 4 3 8 3 6 5 2 1 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 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 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 10 7 6 3 2 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 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 12 7 12 5 4 9 7 4 5 3 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 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 13 7 12 6 5 10 5 4 9 5 4 6 5 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 7 4 7 4 3 7 3 10 4 10 7 6 3 2 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 12 7 12 5 4 11 7 4 7 3 8 7 4 6 3 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 10 5 4 5 3 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 12 7 8 5 4 3 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 6 3 5 3 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 13 7 15 6 5 10 8 7 3 2 1 3 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 7 4 7 4 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 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 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 11 7 7 4 3 2 1 7 3 10 4 10 7 6 3 2 1 10 3 14 11 6 5 8 5 4 7 4 3 6 3 7 3 10 4 16 7 15 9 8 3 2 1 7 5 4 3 2 1 1 7 3 10 4 9 7 7 4 3 2 1 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 %FLAG NONBONDED_PARM_INDEX %FORMAT(10I8) 1 2 4 7 11 16 22 29 37 46 56 67 79 92 106 121 137 2 3 5 8 12 17 23 30 38 47 57 68 80 93 107 122 138 4 5 6 9 13 18 24 31 39 48 58 69 81 94 108 123 139 7 8 9 10 14 19 25 32 40 49 59 70 82 95 109 124 140 11 12 13 14 15 20 26 33 41 50 60 71 83 96 110 125 141 16 17 18 19 20 21 27 34 42 51 61 72 84 97 111 126 142 22 23 24 25 26 27 28 35 43 52 62 73 85 98 112 127 143 29 30 31 32 33 34 35 36 44 53 63 74 86 99 113 128 144 37 38 39 40 41 42 43 44 45 54 64 75 87 100 114 129 145 46 47 48 49 50 51 52 53 54 55 65 76 88 101 115 130 146 56 57 58 59 60 61 62 63 64 65 66 77 89 102 116 131 147 67 68 69 70 71 72 73 74 75 76 77 78 90 103 117 132 148 79 80 81 82 83 84 85 86 87 88 89 90 91 104 118 133 149 92 93 94 95 96 97 98 99 100 101 102 103 104 105 119 134 150 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 -1 151 121 122 123 124 125 126 127 128 129 130 131 132 133 134 -1 136 152 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 %FLAG RESIDUE_LABEL %FORMAT(20a4) CYX GLN GLU ALA ASN TYR GLY ALA LEU LEU ARG GLU LEU CYX LEU THR GLN PHE GLN VAL ASP MET GLU ALA VAL GLY GLU THR LEU TRP CYX ASP TRP GLY ARG THR ILE ARG SER TYR ARG GLU LEU ALA ASP CYX THR TRP HIP MET ALA GLU LYS LEU GLY CYX PHE TRP PRO ASN ALA GLU VAL ASP ARG PHE PHE LEU ALA VAL HID GLY ARG TYR PHE ARG SER CYX PRO ILE SER WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT %FLAG RESIDUE_POINTER %FORMAT(10I8) 1 13 30 45 55 69 90 97 107 126 145 169 184 203 213 232 246 263 283 300 316 328 345 360 370 386 393 408 422 441 465 475 487 511 518 542 556 575 599 610 631 655 670 689 699 711 721 735 759 777 794 804 819 841 860 867 877 897 921 935 949 959 974 990 1002 1026 1046 1066 1085 1095 1111 1128 1135 1159 1180 1200 1224 1235 1245 1259 1278 1290 1294 1298 1302 1306 1310 1314 1318 1322 1326 1330 1334 1338 1342 1346 1350 1354 %FLAG BOND_FORCE_CONSTANT %FORMAT(5E16.8) 5.70000000E+02 4.90000000E+02 1.66000000E+02 3.40000000E+02 2.27000000E+02 3.40000000E+02 3.10000000E+02 3.17000000E+02 4.34000000E+02 3.67000000E+02 4.34000000E+02 3.40000000E+02 3.17000000E+02 3.10000000E+02 3.40000000E+02 3.10000000E+02 3.17000000E+02 3.37000000E+02 6.56000000E+02 3.17000000E+02 3.40000000E+02 3.10000000E+02 3.67000000E+02 4.69000000E+02 5.53000000E+02 4.50000000E+02 4.69000000E+02 3.17000000E+02 3.40000000E+02 3.10000000E+02 3.10000000E+02 4.34000000E+02 4.81000000E+02 3.40000000E+02 3.37000000E+02 3.40000000E+02 3.10000000E+02 3.10000000E+02 3.40000000E+02 3.20000000E+02 3.10000000E+02 3.40000000E+02 2.27000000E+02 4.69000000E+02 4.69000000E+02 4.47000000E+02 4.34000000E+02 4.28000000E+02 3.67000000E+02 4.27000000E+02 5.46000000E+02 3.88000000E+02 3.17000000E+02 3.10000000E+02 3.20000000E+02 3.67000000E+02 4.77000000E+02 4.22000000E+02 5.18000000E+02 3.17000000E+02 3.40000000E+02 3.67000000E+02 3.10000000E+02 3.37000000E+02 3.67000000E+02 4.10000000E+02 4.88000000E+02 5.12000000E+02 6.56000000E+02 3.40000000E+02 3.37000000E+02 5.53000000E+02 5.53000000E+02 5.53000000E+02 %FLAG BOND_EQUIL_VALUE %FORMAT(5E16.8) 1.22900000E+00 1.33500000E+00 2.03800000E+00 1.09000000E+00 1.81000000E+00 1.09000000E+00 1.52600000E+00 1.52200000E+00 1.01000000E+00 1.47100000E+00 1.01000000E+00 1.09000000E+00 1.52200000E+00 1.52600000E+00 1.09000000E+00 1.52600000E+00 1.52200000E+00 1.44900000E+00 1.25000000E+00 1.52200000E+00 1.09000000E+00 1.52600000E+00 1.08000000E+00 1.40000000E+00 9.60000000E-01 1.36400000E+00 1.40900000E+00 1.51000000E+00 1.09000000E+00 1.52600000E+00 1.52600000E+00 1.01000000E+00 1.34000000E+00 1.09000000E+00 1.46300000E+00 1.09000000E+00 1.52600000E+00 1.52600000E+00 1.09000000E+00 1.41000000E+00 1.52600000E+00 1.09000000E+00 1.81000000E+00 1.40400000E+00 1.40000000E+00 1.41900000E+00 1.01000000E+00 1.38000000E+00 1.08000000E+00 1.38100000E+00 1.35200000E+00 1.45900000E+00 1.49500000E+00 1.52600000E+00 1.41000000E+00 1.08000000E+00 1.34300000E+00 1.38500000E+00 1.37100000E+00 1.50400000E+00 1.09000000E+00 1.47100000E+00 1.52600000E+00 1.44900000E+00 1.08000000E+00 1.39400000E+00 1.33500000E+00 1.37500000E+00 1.25000000E+00 1.09000000E+00 1.44900000E+00 1.37120510E+00 1.59398330E-01 8.72433130E-01 %FLAG ANGLE_FORCE_CONSTANT %FORMAT(5E16.8) 8.00000000E+01 5.00000000E+01 5.00000000E+01 6.80000000E+01 5.00000000E+01 3.50000000E+01 6.30000000E+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 3.50000000E+01 5.00000000E+01 3.50000000E+01 8.00000000E+01 7.00000000E+01 5.00000000E+01 6.30000000E+01 6.30000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 4.00000000E+01 8.00000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 8.00000000E+01 6.30000000E+01 8.00000000E+01 5.00000000E+01 7.00000000E+01 6.30000000E+01 3.50000000E+01 6.30000000E+01 5.00000000E+01 5.00000000E+01 8.00000000E+01 6.30000000E+01 5.00000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 6.30000000E+01 6.30000000E+01 6.30000000E+01 5.00000000E+01 7.00000000E+01 6.30000000E+01 3.50000000E+01 4.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 4.00000000E+01 4.00000000E+01 3.50000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 8.00000000E+01 6.30000000E+01 4.00000000E+01 5.00000000E+01 5.00000000E+01 4.00000000E+01 8.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 6.30000000E+01 5.50000000E+01 5.00000000E+01 5.00000000E+01 4.00000000E+01 5.00000000E+01 8.00000000E+01 5.00000000E+01 6.30000000E+01 3.50000000E+01 5.00000000E+01 6.20000000E+01 5.00000000E+01 5.00000000E+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 5.00000000E+01 5.00000000E+01 4.00000000E+01 4.00000000E+01 5.00000000E+01 5.50000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+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 3.50000000E+01 5.00000000E+01 5.00000000E+01 8.00000000E+01 5.00000000E+01 5.00000000E+01 4.00000000E+01 5.00000000E+01 5.00000000E+01 4.00000000E+01 5.00000000E+01 8.00000000E+01 5.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 5.00000000E+01 8.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 8.00000000E+01 6.30000000E+01 %FLAG ANGLE_EQUIL_VALUE %FORMAT(5E16.8) 2.14501057E+00 2.09439600E+00 2.12755727E+00 1.80990721E+00 1.91113635E+00 1.91113635E+00 1.93906163E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 2.00189351E+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 2.10137732E+00 2.03505478E+00 1.91113635E+00 1.93906163E+00 1.93906163E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 2.10137732E+00 2.03505478E+00 2.06018753E+00 1.91113635E+00 1.91462701E+00 1.92160833E+00 2.19911580E+00 1.91113635E+00 2.04203610E+00 1.93906163E+00 1.91113635E+00 1.93906163E+00 1.91113635E+00 1.91113635E+00 1.91462701E+00 1.93906163E+00 2.09439600E+00 2.09439600E+00 1.97222290E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 1.91113635E+00 2.09439600E+00 1.98967620E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 1.91113635E+00 1.91113635E+00 2.06647072E+00 2.15024656E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.94080696E+00 1.93906163E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91462701E+00 1.91113635E+00 2.00189351E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.93906163E+00 1.89368305E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91462701E+00 1.91113635E+00 1.93906163E+00 1.91113635E+00 1.91113635E+00 1.72613137E+00 1.91113635E+00 2.00189351E+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 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.89368305E+00 1.91113635E+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 1.91113635E+00 2.09439600E+00 2.09439600E+00 1.97396823E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.94080696E+00 2.12755727E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 2.05948940E+00 1.91113635E+00 1.91113635E+00 1.91462701E+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 2.12755727E+00 2.19911580E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 2.04203610E+00 2.06018753E+00 1.91113635E+00 1.91462701E+00 1.92160833E+00 %FLAG DIHEDRAL_FORCE_CONSTANT %FORMAT(5E16.8) 2.00000000E+00 2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 6.02000000E-01 3.94000000E-01 3.23000000E-01 2.78000000E-01 5.60000000E-02 6.66000000E-01 3.02000000E-01 1.35000000E-01 3.33333333E-01 1.55555556E-01 2.00000000E-01 2.00000000E-01 4.00000000E-01 4.20000000E-01 4.48000000E+00 6.82000000E-01 3.79000000E-01 4.69000000E-01 2.10000000E-02 6.40000000E-02 8.00000000E-01 8.00000000E-02 4.21000000E-01 3.93000000E-01 1.44000000E-01 1.45000000E-01 1.50000000E-01 6.09000000E-01 8.45000000E-01 8.50000000E-02 4.20000000E-02 0.00000000E+00 1.60000000E-01 1.96000000E-01 8.30000000E-02 4.12000000E-01 1.38000000E-01 1.00000000E-01 1.84000000E-01 7.80000000E-02 0.00000000E+00 0.00000000E+00 3.90000000E-01 1.36700000E+00 2.22000000E-01 6.08000000E-01 5.60000000E-02 1.04600000E+00 3.03000000E-01 3.30000000E-02 1.07000000E-01 8.28000000E-01 4.85000000E-01 3.01000000E-01 8.00000000E-03 6.88000000E-01 2.97000000E-01 5.90000000E-02 3.62500000E+00 8.83000000E-01 6.50000000E-02 5.50000000E-02 4.69000000E-01 1.92000000E-01 1.20000000E-02 6.90000000E-02 4.80000000E-02 1.20000000E-02 2.90000000E-01 7.00000000E-03 7.06000000E-01 6.20000000E-01 1.90000000E-01 3.79000000E-01 2.70000000E-02 1.42000000E-01 1.79000000E-01 9.80000000E-02 2.59000000E-01 7.30000000E-02 2.40000000E+00 2.00000000E-01 2.50000000E-01 1.80000000E-01 6.97000000E-01 1.19000000E-01 3.15000000E-01 1.56000000E-01 2.50000000E-01 4.06000000E-01 2.89000000E-01 1.48000000E-01 1.12000000E-01 6.43000000E-01 7.90000000E-02 2.36000000E-01 4.80000000E-02 1.66666667E-01 6.00000000E-03 2.51000000E-01 1.30000000E-02 3.37000000E-01 2.16000000E-01 1.00000000E-03 6.74000000E-01 6.00000000E-03 9.50000000E-02 4.24000000E-01 4.59000000E-01 5.80000000E-02 1.54000000E-01 7.69000000E-01 3.10000000E-02 2.15400000E+00 6.47000000E-01 8.90000000E-02 2.47000000E-01 4.42000000E-01 4.14000000E-01 5.70000000E-02 4.17000000E-01 2.45000000E-01 1.60000000E-02 2.80000000E-02 3.00000000E+00 3.50000000E+00 1.52500000E+00 6.52500000E+00 1.50000000E+00 1.67500000E+00 1.70000000E-02 3.53000000E-01 2.34000000E-01 7.40000000E-02 3.65000000E-01 4.08000000E-01 8.19000000E-01 9.50000000E-02 7.90000000E-02 3.13000000E-01 3.10000000E-02 1.62000000E-01 7.35000000E-01 1.13000000E-01 1.15000000E-01 2.02000000E-01 7.70000000E-02 1.07000000E-01 2.24000000E-01 4.47000000E-01 5.30000000E-02 2.30000000E-01 3.10000000E-01 1.44000000E-01 9.70000000E-02 6.61000000E-01 2.18000000E-01 4.01000000E-01 1.29000000E-01 2.11000000E-01 4.44000000E-01 2.67000000E-01 7.00000000E-03 6.66000000E-01 2.46000000E-01 1.60000000E-01 2.32500000E+00 1.40000000E+00 5.37500000E+00 1.43000000E-01 2.44000000E-01 2.19000000E-01 2.50000000E-02 1.60000000E-01 3.92000000E-01 6.86000000E-01 3.70000000E-02 3.06000000E-01 2.21000000E-01 2.00000000E+00 5.00000000E+00 5.15000000E+00 6.74000000E-01 7.50000000E-01 1.22000000E-01 1.00000000E-02 1.80000000E+00 8.00000000E-01 2.70000000E-01 4.20000000E-01 1.05000000E+01 1.00000000E+00 1.10000000E+00 0.00000000E+00 %FLAG DIHEDRAL_PERIODICITY %FORMAT(5E16.8) 1.00000000E+00 2.00000000E+00 2.00000000E+00 1.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+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 4.00000000E+00 1.00000000E+00 2.00000000E+00 4.00000000E+00 1.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 3.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 2.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 4.00000000E+00 2.00000000E+00 2.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 2.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 4.00000000E+00 2.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 2.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 4.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 2.00000000E+00 3.00000000E+00 2.00000000E+00 3.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 %FLAG DIHEDRAL_PHASE %FORMAT(5E16.8) 0.00000000E+00 3.14159400E+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 0.00000000E+00 0.00000000E+00 0.00000000E+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 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 3.14159400E+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 0.00000000E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 0.00000000E+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 3.14159400E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+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 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+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 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+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 3.14159400E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 %FLAG SCEE_SCALE_FACTOR %FORMAT(5E16.8) 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 %FLAG SCNB_SCALE_FACTOR %FORMAT(5E16.8) 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 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 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 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 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 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 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 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 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 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 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 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 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 2.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+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 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 2.02752779E+06 5.85957523E+03 2.11351845E+06 4.90026081E+04 1.42615819E+05 4.26366419E+06 8.82619071E+05 2.27577561E+03 9.24822270E+05 2.01619733E+04 6.01816484E+04 1.87390085E+06 8.19971662E+05 6.06829342E+05 1.02595236E+03 6.47841731E+05 1.12780457E+04 3.69471530E+04 1.33368524E+06 5.74393458E+05 3.79876399E+05 8.96776989E+04 1.07193646E+02 9.71708117E+04 1.41077189E+03 4.98586848E+03 2.02574546E+05 8.61541883E+04 5.44261042E+04 7.51607703E+03 7.91627154E+04 8.90987508E+01 8.59947003E+04 1.21014911E+03 4.33325458E+03 1.79659945E+05 7.62451550E+04 4.77908183E+04 6.55825601E+03 5.71629601E+03 7.44975864E+05 1.40467023E+03 7.91544157E+05 1.45985502E+04 4.66922514E+04 1.62294350E+06 7.01803794E+05 4.71003287E+05 6.82786631E+04 6.00750218E+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 0.00000000E+00 6.58473870E+04 6.63368273E+01 7.18621074E+04 9.55000044E+02 3.50301067E+03 1.50723105E+05 6.37148278E+04 3.93690817E+04 5.34045360E+03 4.64559155E+03 4.96707306E+04 0.00000000E+00 3.76169105E+03 5.46147253E+04 4.90239937E+01 5.98885646E+04 7.50063100E+02 2.82099197E+03 1.26117560E+05 5.30987710E+04 3.23283631E+04 4.33325458E+03 3.76169105E+03 4.09427581E+04 0.00000000E+00 3.03448006E+03 2.43828624E+03 9.04754248E+05 1.88214625E+03 9.57153878E+05 1.86002079E+04 5.82169798E+04 1.95529336E+06 8.48637713E+05 5.77196189E+05 8.45678586E+04 7.45424739E+04 7.10552826E+05 0.00000000E+00 6.18379568E+04 5.11473202E+04 8.65113123E+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 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_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 1.33303578E+03 3.95051895E+01 1.21899948E+03 1.14243284E+02 1.94896900E+02 2.19459223E+03 6.53361429E+02 1.82891803E+01 5.99015525E+02 5.44372326E+01 9.40505980E+01 1.08079689E+03 5.31102864E+02 6.77220874E+02 1.53505284E+01 6.26720080E+02 5.08951803E+01 9.21192136E+01 1.13979741E+03 5.55666448E+02 5.64885984E+02 1.36131731E+02 2.59456373E+00 1.26919150E+02 9.41257003E+00 1.76949863E+01 2.32280910E+02 1.12529845E+02 1.11805549E+02 2.17257828E+01 1.26451907E+02 2.33864085E+00 1.18043746E+02 8.61880722E+00 1.63092814E+01 2.16269171E+02 1.04660679E+02 1.03580945E+02 2.00642027E+01 1.85196588E+01 7.50714425E+02 1.79702257E+01 6.93079947E+02 5.79323581E+01 1.03606917E+02 1.25793819E+03 6.14502845E+02 6.29300710E+02 1.25287818E+02 1.16187983E+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 0.00000000E+00 1.15327881E+02 2.01792524E+00 1.07908863E+02 7.65648470E+00 1.46638650E+01 1.98088334E+02 9.56748258E+01 9.40124296E+01 1.81057616E+01 1.66953734E+01 1.05648788E+02 0.00000000E+00 1.50233639E+01 1.05031585E+02 1.73473071E+00 9.85097219E+01 6.78541827E+00 1.31591746E+01 1.81199404E+02 8.73413012E+01 8.51921330E+01 1.63092814E+01 1.50233639E+01 9.59185913E+01 0.00000000E+00 1.34932874E+01 1.20953369E+01 8.29661356E+02 2.08605096E+01 7.64308217E+02 6.55778432E+01 1.16017383E+02 1.38466735E+03 6.77655696E+02 6.98618155E+02 1.39830173E+02 1.29792032E+02 7.75502024E+02 0.00000000E+00 1.18215302E+02 1.07512157E+02 8.58130004E+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 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 BONDS_INC_HYDROGEN %FORMAT(10I8) 18 21 4 18 24 4 12 15 6 0 3 9 0 6 9 0 9 9 72 75 11 72 78 11 57 60 12 57 63 12 48 51 12 48 54 12 42 45 15 36 39 11 108 111 12 108 114 12 99 102 12 99 105 12 93 96 15 87 90 11 144 147 21 144 150 21 144 153 21 138 141 15 132 135 11 189 192 11 189 195 11 174 177 12 174 180 12 168 171 15 162 165 11 255 258 23 249 252 23 243 246 25 234 237 23 228 231 23 216 219 21 216 222 21 210 213 15 204 207 11 273 276 15 273 279 15 267 270 11 300 303 21 300 306 21 300 309 21 294 297 15 288 291 11 357 360 21 357 363 21 357 366 21 345 348 21 345 351 21 345 354 21 339 342 29 330 333 12 330 336 12 324 327 15 318 321 11 414 417 21 414 420 21 414 423 21 402 405 21 402 408 21 402 411 21 396 399 29 387 390 12 387 393 12 381 384 15 375 378 11 489 492 32 489 495 32 480 483 32 480 486 32 471 474 32 462 465 34 462 468 34 453 456 36 453 459 36 444 447 36 444 450 36 438 441 15 432 435 11 525 528 12 525 531 12 516 519 12 516 522 12 510 513 15 504 507 11 588 591 21 588 594 21 588 597 21 576 579 21 576 582 21 576 585 21 570 573 29 561 564 12 561 567 12 555 558 15 549 552 11 618 621 4 618 624 4 612 615 15 606 609 11 675 678 21 675 681 21 675 684 21 663 666 21 663 669 21 663 672 21 657 660 29 648 651 12 648 654 12 642 645 15 636 639 11 723 726 25 711 714 21 711 717 21 711 720 21 705 708 39 699 702 15 693 696 11 771 774 11 771 777 11 756 759 12 756 762 12 747 750 12 747 753 12 741 744 15 735 738 11 834 837 23 828 831 23 822 825 23 816 819 23 810 813 23 798 801 21 798 804 21 792 795 15 786 789 11 882 885 11 882 888 11 867 870 12 867 873 12 858 861 12 858 864 12 852 855 15 846 849 11 927 930 21 927 933 21 927 936 21 915 918 21 915 921 21 915 924 21 909 912 29 903 906 15 897 900 11 957 960 12 957 963 12 951 954 15 945 948 11 1014 1017 42 1014 1020 42 1014 1023 42 1002 1005 4 1002 1008 4 993 996 12 993 999 12 987 990 15 981 984 11 1053 1056 12 1053 1059 12 1044 1047 12 1044 1050 12 1038 1041 15 1032 1035 11 1089 1092 21 1089 1095 21 1089 1098 21 1083 1086 15 1077 1080 11 1137 1140 21 1137 1143 21 1137 1146 21 1125 1128 21 1125 1131 21 1125 1134 21 1119 1122 29 1113 1116 15 1107 1110 11 1161 1164 15 1161 1167 15 1155 1158 11 1197 1200 12 1197 1203 12 1188 1191 12 1188 1194 12 1182 1185 15 1176 1179 11 1251 1254 25 1239 1242 21 1239 1245 21 1239 1248 21 1233 1236 39 1227 1230 15 1221 1224 11 1302 1305 21 1302 1308 21 1302 1311 21 1290 1293 21 1290 1296 21 1290 1299 21 1284 1287 29 1275 1278 12 1275 1281 12 1269 1272 15 1263 1266 11 1377 1380 23 1371 1374 23 1365 1368 23 1359 1362 23 1350 1353 47 1344 1347 49 1332 1335 21 1332 1338 21 1326 1329 15 1320 1323 11 1404 1407 4 1404 1410 4 1398 1401 15 1392 1395 11 1434 1437 12 1434 1440 12 1428 1431 15 1422 1425 11 1515 1518 23 1509 1512 23 1503 1506 23 1497 1500 23 1488 1491 47 1482 1485 49 1470 1473 21 1470 1476 21 1464 1467 15 1458 1461 11 1536 1539 15 1536 1542 15 1530 1533 11 1608 1611 32 1608 1614 32 1599 1602 32 1599 1605 32 1590 1593 32 1581 1584 34 1581 1587 34 1572 1575 36 1572 1578 36 1563 1566 36 1563 1569 36 1557 1560 15 1551 1554 11 1653 1656 25 1641 1644 21 1641 1647 21 1641 1650 21 1635 1638 39 1629 1632 15 1623 1626 11 1704 1707 21 1704 1710 21 1704 1713 21 1695 1698 12 1695 1701 12 1683 1686 21 1683 1689 21 1683 1692 21 1677 1680 29 1671 1674 15 1665 1668 11 1779 1782 32 1779 1785 32 1770 1773 32 1770 1776 32 1761 1764 32 1752 1755 34 1752 1758 34 1743 1746 36 1743 1749 36 1734 1737 36 1734 1740 36 1728 1731 15 1722 1725 11 1815 1818 25 1806 1809 4 1806 1812 4 1800 1803 15 1794 1797 11 1878 1881 23 1872 1875 23 1866 1869 25 1857 1860 23 1851 1854 23 1839 1842 21 1839 1845 21 1833 1836 15 1827 1830 11 1947 1950 32 1947 1953 32 1938 1941 32 1938 1944 32 1929 1932 32 1920 1923 34 1920 1926 34 1911 1914 36 1911 1917 36 1902 1905 36 1902 1908 36 1896 1899 15 1890 1893 11 1983 1986 12 1983 1989 12 1974 1977 12 1974 1980 12 1968 1971 15 1962 1965 11 2046 2049 21 2046 2052 21 2046 2055 21 2034 2037 21 2034 2040 21 2034 2043 21 2028 2031 29 2019 2022 12 2019 2025 12 2013 2016 15 2007 2010 11 2076 2079 21 2076 2082 21 2076 2085 21 2070 2073 15 2064 2067 11 2106 2109 12 2106 2112 12 2100 2103 15 2094 2097 11 2142 2145 4 2142 2148 4 2136 2139 15 2130 2133 11 2190 2193 25 2178 2181 21 2178 2184 21 2178 2187 21 2172 2175 39 2166 2169 15 2160 2163 11 2259 2262 23 2253 2256 23 2247 2250 23 2241 2244 23 2232 2235 47 2226 2229 49 2214 2217 21 2214 2220 21 2208 2211 15 2202 2205 11 2316 2319 49 2310 2313 47 2304 2307 56 2298 2301 47 2286 2289 21 2286 2292 21 2280 2283 15 2274 2277 11 2361 2364 42 2361 2367 42 2361 2370 42 2349 2352 4 2349 2355 4 2340 2343 12 2340 2346 12 2334 2337 15 2328 2331 11 2391 2394 21 2391 2397 21 2391 2400 21 2385 2388 15 2379 2382 11 2430 2433 12 2430 2436 12 2421 2424 12 2421 2427 12 2415 2418 15 2409 2412 11 2502 2505 9 2502 2508 9 2502 2511 9 2493 2496 61 2493 2499 61 2484 2487 36 2484 2490 36 2475 2478 36 2475 2481 36 2466 2469 36 2466 2472 36 2460 2463 15 2454 2457 11 2559 2562 21 2559 2565 21 2559 2568 21 2547 2550 21 2547 2553 21 2547 2556 21 2541 2544 29 2532 2535 12 2532 2538 12 2526 2529 15 2520 2523 11 2583 2586 15 2583 2589 15 2577 2580 11 2610 2613 4 2610 2616 4 2604 2607 15 2598 2601 11 2676 2679 23 2670 2673 23 2664 2667 23 2658 2661 23 2652 2655 23 2640 2643 21 2640 2646 21 2634 2637 15 2628 2631 11 2745 2748 23 2739 2742 23 2733 2736 23 2727 2730 23 2718 2721 47 2712 2715 49 2700 2703 21 2700 2706 21 2694 2697 15 2688 2691 11 2790 2793 15 2781 2784 21 2781 2787 21 2772 2775 21 2772 2778 21 2763 2766 42 2763 2769 42 2829 2832 11 2829 2835 11 2814 2817 12 2814 2820 12 2808 2811 15 2802 2805 11 2856 2859 21 2856 2862 21 2856 2865 21 2850 2853 15 2844 2847 11 2895 2898 12 2895 2901 12 2886 2889 12 2886 2892 12 2880 2883 15 2874 2877 11 2949 2952 21 2949 2955 21 2949 2958 21 2937 2940 21 2937 2943 21 2937 2946 21 2931 2934 29 2925 2928 15 2919 2922 11 2979 2982 12 2979 2985 12 2973 2976 15 2967 2970 11 3060 3063 32 3060 3066 32 3051 3054 32 3051 3057 32 3042 3045 32 3033 3036 34 3033 3039 34 3024 3027 36 3024 3030 36 3015 3018 36 3015 3021 36 3009 3012 15 3003 3006 11 3123 3126 23 3117 3120 23 3111 3114 23 3105 3108 23 3099 3102 23 3087 3090 21 3087 3093 21 3081 3084 15 3075 3078 11 3183 3186 23 3177 3180 23 3171 3174 23 3165 3168 23 3159 3162 23 3147 3150 21 3147 3153 21 3141 3144 15 3135 3138 11 3234 3237 21 3234 3240 21 3234 3243 21 3222 3225 21 3222 3228 21 3222 3231 21 3216 3219 29 3207 3210 12 3207 3213 12 3201 3204 15 3195 3198 11 3264 3267 21 3264 3270 21 3264 3273 21 3258 3261 15 3252 3255 11 3312 3315 21 3312 3318 21 3312 3321 21 3300 3303 21 3300 3306 21 3300 3309 21 3294 3297 29 3288 3291 15 3282 3285 11 3369 3372 65 3360 3363 56 3354 3357 47 3342 3345 21 3342 3348 21 3336 3339 15 3330 3333 11 3387 3390 15 3387 3393 15 3381 3384 11 3459 3462 32 3459 3465 32 3450 3453 32 3450 3456 32 3441 3444 32 3432 3435 34 3432 3438 34 3423 3426 36 3423 3429 36 3414 3417 36 3414 3420 36 3408 3411 15 3402 3405 11 3525 3528 23 3519 3522 23 3513 3516 25 3504 3507 23 3498 3501 23 3486 3489 21 3486 3492 21 3480 3483 15 3474 3477 11 3585 3588 23 3579 3582 23 3573 3576 23 3567 3570 23 3561 3564 23 3549 3552 21 3549 3555 21 3543 3546 15 3537 3540 11 3654 3657 32 3654 3660 32 3645 3648 32 3645 3651 32 3636 3639 32 3627 3630 34 3627 3633 34 3618 3621 36 3618 3624 36 3609 3612 36 3609 3615 36 3603 3606 15 3597 3600 11 3690 3693 25 3681 3684 4 3681 3687 4 3675 3678 15 3669 3672 11 3714 3717 4 3714 3720 4 3708 3711 15 3702 3705 11 3762 3765 15 3753 3756 21 3753 3759 21 3744 3747 21 3744 3750 21 3735 3738 42 3735 3741 42 3813 3816 21 3813 3819 21 3813 3822 21 3804 3807 12 3804 3810 12 3792 3795 21 3792 3798 21 3792 3801 21 3786 3789 29 3780 3783 15 3774 3777 11 3852 3855 25 3843 3846 4 3843 3849 4 3837 3840 70 3831 3834 11 3870 3873 72 3867 3870 74 3867 3873 74 3882 3885 72 3879 3882 74 3879 3885 74 3894 3897 72 3891 3894 74 3891 3897 74 3906 3909 72 3903 3906 74 3903 3909 74 3918 3921 72 3915 3918 74 3915 3921 74 3930 3933 72 3927 3930 74 3927 3933 74 3942 3945 72 3939 3942 74 3939 3945 74 3954 3957 72 3951 3954 74 3951 3957 74 3966 3969 72 3963 3966 74 3963 3969 74 3978 3981 72 3975 3978 74 3975 3981 74 3990 3993 72 3987 3990 74 3987 3993 74 4002 4005 72 3999 4002 74 3999 4005 74 4014 4017 72 4011 4014 74 4011 4017 74 4026 4029 72 4023 4026 74 4023 4029 74 4038 4041 72 4035 4038 74 4035 4041 74 4050 4053 72 4047 4050 74 4047 4053 74 4062 4065 72 4059 4062 74 4059 4065 74 %FLAG BONDS_WITHOUT_HYDROGEN %FORMAT(10I8) 30 33 1 30 36 2 27 2619 3 18 27 5 12 18 7 12 30 8 0 12 10 81 84 1 81 87 2 66 69 1 66 72 2 57 66 13 48 57 14 42 48 16 42 81 17 36 42 18 126 129 1 126 132 2 117 120 19 117 123 19 108 117 20 99 108 14 93 99 16 93 126 17 87 93 18 156 159 1 156 162 2 138 144 22 138 156 17 132 138 18 198 201 1 198 204 2 183 186 1 183 189 2 174 183 13 168 174 16 168 198 17 162 168 18 261 264 1 261 267 2 249 255 24 240 243 26 240 249 27 234 240 27 228 234 24 225 228 24 225 255 24 216 225 28 210 216 22 210 261 17 204 210 18 282 285 1 282 288 2 273 282 17 267 273 18 312 315 1 312 318 2 294 300 22 294 312 17 288 294 18 369 372 1 369 375 2 339 345 30 339 357 30 330 339 31 324 330 16 324 369 17 318 324 18 426 429 1 426 432 2 396 402 30 396 414 30 387 396 31 381 387 16 381 426 17 375 381 18 498 501 1 498 504 2 477 480 33 477 489 33 471 477 33 462 471 35 453 462 37 444 453 37 438 444 38 438 498 17 432 438 18 543 546 1 543 549 2 534 537 19 534 540 19 525 534 20 516 525 14 510 516 16 510 543 17 504 510 18 600 603 1 600 606 2 570 576 30 570 588 30 561 570 31 555 561 16 555 600 17 549 555 18 630 633 1 630 636 2 627 2151 3 618 627 5 612 618 16 612 630 17 606 612 18 687 690 1 687 693 2 657 663 30 657 675 30 648 657 31 642 648 16 642 687 17 636 642 18 729 732 1 729 735 2 705 711 30 705 723 40 699 705 41 699 729 17 693 699 18 780 783 1 780 786 2 765 768 1 765 771 2 756 765 13 747 756 14 741 747 16 741 780 17 735 741 18 840 843 1 840 846 2 828 834 24 822 828 24 816 822 24 810 816 24 807 810 24 807 834 24 798 807 28 792 798 22 792 840 17 786 792 18 891 894 1 891 897 2 876 879 1 876 882 2 867 876 13 858 867 14 852 858 16 852 891 17 846 852 18 939 942 1 939 945 2 909 915 30 909 927 30 903 909 41 903 939 17 897 903 18 975 978 1 975 981 2 966 969 19 966 972 19 957 966 20 951 957 16 951 975 17 945 951 18 1026 1029 1 1026 1032 2 1011 1014 43 1002 1011 5 993 1002 14 987 993 16 987 1026 17 981 987 18 1071 1074 1 1071 1077 2 1062 1065 19 1062 1068 19 1053 1062 20 1044 1053 14 1038 1044 16 1038 1071 17 1032 1038 18 1101 1104 1 1101 1107 2 1083 1089 22 1083 1101 17 1077 1083 18 1149 1152 1 1149 1155 2 1119 1125 30 1119 1137 30 1113 1119 41 1113 1149 17 1107 1113 18 1170 1173 1 1170 1176 2 1161 1170 17 1155 1161 18 1215 1218 1 1215 1221 2 1206 1209 19 1206 1212 19 1197 1206 20 1188 1197 14 1182 1188 16 1182 1215 17 1176 1182 18 1257 1260 1 1257 1263 2 1233 1239 30 1233 1251 40 1227 1233 41 1227 1257 17 1221 1227 18 1314 1317 1 1314 1320 2 1284 1290 30 1284 1302 30 1275 1284 31 1269 1275 16 1269 1314 17 1263 1269 18 1386 1389 1 1386 1392 2 1377 1383 44 1371 1377 24 1365 1371 24 1359 1365 24 1356 1359 45 1356 1383 46 1350 1356 48 1344 1350 50 1341 1344 51 1341 1383 52 1332 1341 53 1326 1332 22 1326 1386 17 1320 1326 18 1416 1419 1 1416 1422 2 1413 3723 3 1404 1413 5 1398 1404 16 1398 1416 17 1392 1398 18 1452 1455 1 1452 1458 2 1443 1446 19 1443 1449 19 1434 1443 20 1428 1434 16 1428 1452 17 1422 1428 18 1524 1527 1 1524 1530 2 1515 1521 44 1509 1515 24 1503 1509 24 1497 1503 24 1494 1497 45 1494 1521 46 1488 1494 48 1482 1488 50 1479 1482 51 1479 1521 52 1470 1479 53 1464 1470 22 1464 1524 17 1458 1464 18 1545 1548 1 1545 1551 2 1536 1545 17 1530 1536 18 1617 1620 1 1617 1623 2 1596 1599 33 1596 1608 33 1590 1596 33 1581 1590 35 1572 1581 37 1563 1572 37 1557 1563 38 1557 1617 17 1551 1557 18 1659 1662 1 1659 1665 2 1635 1641 30 1635 1653 40 1629 1635 41 1629 1659 17 1623 1629 18 1716 1719 1 1716 1722 2 1695 1704 54 1677 1683 30 1677 1695 31 1671 1677 41 1671 1716 17 1665 1671 18 1788 1791 1 1788 1794 2 1767 1770 33 1767 1779 33 1761 1767 33 1752 1761 35 1743 1752 37 1734 1743 37 1728 1734 38 1728 1788 17 1722 1728 18 1821 1824 1 1821 1827 2 1806 1815 55 1800 1806 16 1800 1821 17 1794 1800 18 1884 1887 1 1884 1890 2 1872 1878 24 1863 1866 26 1863 1872 27 1857 1863 27 1851 1857 24 1848 1851 24 1848 1878 24 1839 1848 28 1833 1839 22 1833 1884 17 1827 1833 18 1956 1959 1 1956 1962 2 1935 1938 33 1935 1947 33 1929 1935 33 1920 1929 35 1911 1920 37 1902 1911 37 1896 1902 38 1896 1956 17 1890 1896 18 2001 2004 1 2001 2007 2 1992 1995 19 1992 1998 19 1983 1992 20 1974 1983 14 1968 1974 16 1968 2001 17 1962 1968 18 2058 2061 1 2058 2064 2 2028 2034 30 2028 2046 30 2019 2028 31 2013 2019 16 2013 2058 17 2007 2013 18 2088 2091 1 2088 2094 2 2070 2076 22 2070 2088 17 2064 2070 18 2124 2127 1 2124 2130 2 2115 2118 19 2115 2121 19 2106 2115 20 2100 2106 16 2100 2124 17 2094 2100 18 2154 2157 1 2154 2160 2 2142 2151 5 2136 2142 16 2136 2154 17 2130 2136 18 2196 2199 1 2196 2202 2 2172 2178 30 2172 2190 40 2166 2172 41 2166 2196 17 2160 2166 18 2268 2271 1 2268 2274 2 2259 2265 44 2253 2259 24 2247 2253 24 2241 2247 24 2238 2241 45 2238 2265 46 2232 2238 48 2226 2232 50 2223 2226 51 2223 2265 52 2214 2223 53 2208 2214 22 2208 2268 17 2202 2208 18 2322 2325 1 2322 2328 2 2310 2316 50 2304 2310 57 2298 2304 57 2295 2298 58 2295 2316 59 2286 2295 60 2280 2286 22 2280 2322 17 2274 2280 18 2373 2376 1 2373 2379 2 2358 2361 43 2349 2358 5 2340 2349 14 2334 2340 16 2334 2373 17 2328 2334 18 2403 2406 1 2403 2409 2 2385 2391 22 2385 2403 17 2379 2385 18 2448 2451 1 2448 2454 2 2439 2442 19 2439 2445 19 2430 2439 20 2421 2430 14 2415 2421 16 2415 2448 17 2409 2415 18 2514 2517 1 2514 2520 2 2493 2502 62 2484 2493 37 2475 2484 37 2466 2475 37 2460 2466 38 2460 2514 17 2454 2460 18 2571 2574 1 2571 2577 2 2541 2547 30 2541 2559 30 2532 2541 31 2526 2532 16 2526 2571 17 2520 2526 18 2592 2595 1 2592 2598 2 2583 2592 17 2577 2583 18 2622 2625 1 2622 2628 2 2610 2619 5 2604 2610 16 2604 2622 17 2598 2604 18 2682 2685 1 2682 2688 2 2670 2676 24 2664 2670 24 2658 2664 24 2652 2658 24 2649 2652 24 2649 2676 24 2640 2649 28 2634 2640 22 2634 2682 17 2628 2634 18 2754 2757 1 2754 2760 2 2745 2751 44 2739 2745 24 2733 2739 24 2727 2733 24 2724 2727 45 2724 2751 46 2718 2724 48 2712 2718 50 2709 2712 51 2709 2751 52 2700 2709 53 2694 2700 22 2694 2754 17 2688 2694 18 2796 2799 1 2796 2802 2 2790 2796 17 2781 2790 22 2772 2781 63 2763 2772 63 2760 2763 64 2760 2790 18 2838 2841 1 2838 2844 2 2823 2826 1 2823 2829 2 2814 2823 13 2808 2814 16 2808 2838 17 2802 2808 18 2868 2871 1 2868 2874 2 2850 2856 22 2850 2868 17 2844 2850 18 2913 2916 1 2913 2919 2 2904 2907 19 2904 2910 19 2895 2904 20 2886 2895 14 2880 2886 16 2880 2913 17 2874 2880 18 2961 2964 1 2961 2967 2 2931 2937 30 2931 2949 30 2925 2931 41 2925 2961 17 2919 2925 18 2997 3000 1 2997 3003 2 2988 2991 19 2988 2994 19 2979 2988 20 2973 2979 16 2973 2997 17 2967 2973 18 3069 3072 1 3069 3075 2 3048 3051 33 3048 3060 33 3042 3048 33 3033 3042 35 3024 3033 37 3015 3024 37 3009 3015 38 3009 3069 17 3003 3009 18 3129 3132 1 3129 3135 2 3117 3123 24 3111 3117 24 3105 3111 24 3099 3105 24 3096 3099 24 3096 3123 24 3087 3096 28 3081 3087 22 3081 3129 17 3075 3081 18 3189 3192 1 3189 3195 2 3177 3183 24 3171 3177 24 3165 3171 24 3159 3165 24 3156 3159 24 3156 3183 24 3147 3156 28 3141 3147 22 3141 3189 17 3135 3141 18 3246 3249 1 3246 3252 2 3216 3222 30 3216 3234 30 3207 3216 31 3201 3207 16 3201 3246 17 3195 3201 18 3276 3279 1 3276 3282 2 3258 3264 22 3258 3276 17 3252 3258 18 3324 3327 1 3324 3330 2 3294 3300 30 3294 3312 30 3288 3294 41 3288 3324 17 3282 3288 18 3375 3378 1 3375 3381 2 3366 3369 66 3360 3366 67 3354 3360 57 3351 3354 58 3351 3369 68 3342 3351 60 3336 3342 22 3336 3375 17 3330 3336 18 3396 3399 1 3396 3402 2 3387 3396 17 3381 3387 18 3468 3471 1 3468 3474 2 3447 3450 33 3447 3459 33 3441 3447 33 3432 3441 35 3423 3432 37 3414 3423 37 3408 3414 38 3408 3468 17 3402 3408 18 3531 3534 1 3531 3537 2 3519 3525 24 3510 3513 26 3510 3519 27 3504 3510 27 3498 3504 24 3495 3498 24 3495 3525 24 3486 3495 28 3480 3486 22 3480 3531 17 3474 3480 18 3591 3594 1 3591 3597 2 3579 3585 24 3573 3579 24 3567 3573 24 3561 3567 24 3558 3561 24 3558 3585 24 3549 3558 28 3543 3549 22 3543 3591 17 3537 3543 18 3663 3666 1 3663 3669 2 3642 3645 33 3642 3654 33 3636 3642 33 3627 3636 35 3618 3627 37 3609 3618 37 3603 3609 38 3603 3663 17 3597 3603 18 3696 3699 1 3696 3702 2 3681 3690 55 3675 3681 16 3675 3696 17 3669 3675 18 3726 3729 1 3726 3732 2 3714 3723 5 3708 3714 16 3708 3726 17 3702 3708 18 3768 3771 1 3768 3774 2 3762 3768 17 3753 3762 22 3744 3753 63 3735 3744 63 3732 3735 64 3732 3762 18 3825 3828 1 3825 3831 2 3804 3813 54 3786 3792 30 3786 3804 31 3780 3786 41 3780 3825 17 3774 3780 18 3858 3861 69 3858 3864 69 3843 3852 55 3837 3843 7 3837 3858 8 3831 3837 71 3867 3876 73 3879 3888 73 3891 3900 73 3903 3912 73 3915 3924 73 3927 3936 73 3939 3948 73 3951 3960 73 3963 3972 73 3975 3984 73 3987 3996 73 3999 4008 73 4011 4020 73 4023 4032 73 4035 4044 73 4047 4056 73 4059 4068 73 %FLAG ANGLES_INC_HYDROGEN %FORMAT(10I8) 30 36 39 2 24 18 27 5 21 18 24 6 21 18 27 5 15 12 18 8 15 12 30 9 12 18 21 10 12 18 24 10 9 0 12 14 6 0 9 15 6 0 12 14 3 0 6 15 3 0 9 15 3 0 12 14 0 12 15 16 81 87 90 2 75 72 78 19 66 72 75 2 66 72 78 2 63 57 66 20 60 57 63 21 60 57 66 20 54 48 57 24 51 48 54 21 51 48 57 24 48 57 60 24 48 57 63 24 45 42 48 27 45 42 81 28 42 48 51 29 42 48 54 29 39 36 42 33 36 42 45 34 126 132 135 2 114 108 117 38 111 108 114 21 111 108 117 38 105 99 108 24 102 99 105 21 102 99 108 24 99 108 111 24 99 108 114 24 96 93 99 27 96 93 126 28 93 99 102 29 93 99 105 29 90 87 93 33 87 93 96 34 156 162 165 2 150 144 153 41 147 144 150 41 147 144 153 41 141 138 144 43 141 138 156 28 138 144 147 44 138 144 150 44 138 144 153 44 135 132 138 33 132 138 141 34 198 204 207 2 192 189 195 19 183 189 192 2 183 189 195 2 180 174 183 20 177 174 180 21 177 174 183 20 171 168 174 27 171 168 198 28 168 174 177 29 168 174 180 29 165 162 168 33 162 168 171 34 261 267 270 2 252 249 255 47 249 255 258 47 240 243 246 49 240 249 252 50 237 234 240 50 231 228 234 47 228 234 237 47 225 228 231 47 225 255 258 47 222 216 225 54 219 216 222 41 219 216 225 54 213 210 216 43 213 210 261 28 210 216 219 44 210 216 222 44 207 204 210 33 204 210 213 34 282 288 291 2 279 273 282 28 276 273 279 57 276 273 282 28 270 267 273 33 267 273 276 34 267 273 279 34 312 318 321 2 306 300 309 41 303 300 306 41 303 300 309 41 297 294 300 43 297 294 312 28 294 300 303 44 294 300 306 44 294 300 309 44 291 288 294 33 288 294 297 34 369 375 378 2 363 357 366 41 360 357 363 41 360 357 366 41 351 345 354 41 348 345 351 41 348 345 354 41 342 339 345 59 342 339 357 59 339 345 348 60 339 345 351 60 339 345 354 60 339 357 360 60 339 357 363 60 339 357 366 60 336 330 339 61 333 330 336 21 333 330 339 61 330 339 342 62 327 324 330 27 327 324 369 28 324 330 333 29 324 330 336 29 321 318 324 33 318 324 327 34 426 432 435 2 420 414 423 41 417 414 420 41 417 414 423 41 408 402 411 41 405 402 408 41 405 402 411 41 399 396 402 59 399 396 414 59 396 402 405 60 396 402 408 60 396 402 411 60 396 414 417 60 396 414 420 60 396 414 423 60 393 387 396 61 390 387 393 21 390 387 396 61 387 396 399 62 384 381 387 27 384 381 426 28 381 387 390 29 381 387 393 29 378 375 381 33 375 381 384 34 498 504 507 2 492 489 495 65 483 480 486 65 477 480 483 67 477 480 486 67 477 489 492 67 477 489 495 67 474 471 477 67 468 462 471 68 465 462 468 69 465 462 471 68 462 471 474 70 459 453 462 72 456 453 459 73 456 453 462 72 453 462 465 74 453 462 468 74 450 444 453 72 447 444 450 73 447 444 453 72 444 453 456 72 444 453 459 72 441 438 444 78 441 438 498 28 438 444 447 79 438 444 450 79 435 432 438 33 432 438 441 34 543 549 552 2 531 525 534 38 528 525 531 21 528 525 534 38 522 516 525 24 519 516 522 21 519 516 525 24 516 525 528 24 516 525 531 24 513 510 516 27 513 510 543 28 510 516 519 29 510 516 522 29 507 504 510 33 504 510 513 34 600 606 609 2 594 588 597 41 591 588 594 41 591 588 597 41 582 576 585 41 579 576 582 41 579 576 585 41 573 570 576 59 573 570 588 59 570 576 579 60 570 576 582 60 570 576 585 60 570 588 591 60 570 588 594 60 570 588 597 60 567 561 570 61 564 561 567 21 564 561 570 61 561 570 573 62 558 555 561 27 558 555 600 28 555 561 564 29 555 561 567 29 552 549 555 33 549 555 558 34 630 636 639 2 624 618 627 5 621 618 624 6 621 618 627 5 615 612 618 27 615 612 630 28 612 618 621 82 612 618 624 82 609 606 612 33 606 612 615 34 687 693 696 2 681 675 684 41 678 675 681 41 678 675 684 41 669 663 672 41 666 663 669 41 666 663 672 41 660 657 663 59 660 657 675 59 657 663 666 60 657 663 669 60 657 663 672 60 657 675 678 60 657 675 681 60 657 675 684 60 654 648 657 61 651 648 654 21 651 648 657 61 648 657 660 62 645 642 648 27 645 642 687 28 642 648 651 29 642 648 654 29 639 636 642 33 636 642 645 34 729 735 738 2 717 711 720 41 714 711 717 41 714 711 720 41 708 705 711 85 708 705 723 86 705 711 714 60 705 711 717 60 705 711 720 60 705 723 726 88 702 699 705 89 702 699 729 28 699 705 708 90 696 693 699 33 693 699 702 34 780 786 789 2 774 771 777 19 765 771 774 2 765 771 777 2 762 756 765 20 759 756 762 21 759 756 765 20 753 747 756 24 750 747 753 21 750 747 756 24 747 756 759 24 747 756 762 24 744 741 747 27 744 741 780 28 741 747 750 29 741 747 753 29 738 735 741 33 735 741 744 34 840 846 849 2 831 828 834 47 828 834 837 47 825 822 828 47 822 828 831 47 819 816 822 47 816 822 825 47 813 810 816 47 810 816 819 47 807 810 813 47 807 834 837 47 804 798 807 54 801 798 804 41 801 798 807 54 795 792 798 43 795 792 840 28 792 798 801 44 792 798 804 44 789 786 792 33 786 792 795 34 891 897 900 2 885 882 888 19 876 882 885 2 876 882 888 2 873 867 876 20 870 867 873 21 870 867 876 20 864 858 867 24 861 858 864 21 861 858 867 24 858 867 870 24 858 867 873 24 855 852 858 27 855 852 891 28 852 858 861 29 852 858 864 29 849 846 852 33 846 852 855 34 939 945 948 2 933 927 936 41 930 927 933 41 930 927 936 41 921 915 924 41 918 915 921 41 918 915 924 41 912 909 915 59 912 909 927 59 909 915 918 60 909 915 921 60 909 915 924 60 909 927 930 60 909 927 933 60 909 927 936 60 906 903 909 89 906 903 939 28 903 909 912 94 900 897 903 33 897 903 906 34 975 981 984 2 963 957 966 38 960 957 963 21 960 957 966 38 954 951 957 27 954 951 975 28 951 957 960 29 951 957 963 29 948 945 951 33 945 951 954 34 1026 1032 1035 2 1020 1014 1023 96 1017 1014 1020 96 1017 1014 1023 96 1011 1014 1017 97 1011 1014 1020 97 1011 1014 1023 97 1008 1002 1011 5 1005 1002 1008 6 1005 1002 1011 5 999 993 1002 24 996 993 999 21 996 993 1002 24 993 1002 1005 99 993 1002 1008 99 990 987 993 27 990 987 1026 28 987 993 996 29 987 993 999 29 984 981 987 33 981 987 990 34 1071 1077 1080 2 1059 1053 1062 38 1056 1053 1059 21 1056 1053 1062 38 1050 1044 1053 24 1047 1044 1050 21 1047 1044 1053 24 1044 1053 1056 24 1044 1053 1059 24 1041 1038 1044 27 1041 1038 1071 28 1038 1044 1047 29 1038 1044 1050 29 1035 1032 1038 33 1032 1038 1041 34 1101 1107 1110 2 1095 1089 1098 41 1092 1089 1095 41 1092 1089 1098 41 1086 1083 1089 43 1086 1083 1101 28 1083 1089 1092 44 1083 1089 1095 44 1083 1089 1098 44 1080 1077 1083 33 1077 1083 1086 34 1149 1155 1158 2 1143 1137 1146 41 1140 1137 1143 41 1140 1137 1146 41 1131 1125 1134 41 1128 1125 1131 41 1128 1125 1134 41 1122 1119 1125 59 1122 1119 1137 59 1119 1125 1128 60 1119 1125 1131 60 1119 1125 1134 60 1119 1137 1140 60 1119 1137 1143 60 1119 1137 1146 60 1116 1113 1119 89 1116 1113 1149 28 1113 1119 1122 94 1110 1107 1113 33 1107 1113 1116 34 1170 1176 1179 2 1167 1161 1170 28 1164 1161 1167 57 1164 1161 1170 28 1158 1155 1161 33 1155 1161 1164 34 1155 1161 1167 34 1215 1221 1224 2 1203 1197 1206 38 1200 1197 1203 21 1200 1197 1206 38 1194 1188 1197 24 1191 1188 1194 21 1191 1188 1197 24 1188 1197 1200 24 1188 1197 1203 24 1185 1182 1188 27 1185 1182 1215 28 1182 1188 1191 29 1182 1188 1194 29 1179 1176 1182 33 1176 1182 1185 34 1257 1263 1266 2 1245 1239 1248 41 1242 1239 1245 41 1242 1239 1248 41 1236 1233 1239 85 1236 1233 1251 86 1233 1239 1242 60 1233 1239 1245 60 1233 1239 1248 60 1233 1251 1254 88 1230 1227 1233 89 1230 1227 1257 28 1227 1233 1236 90 1224 1221 1227 33 1221 1227 1230 34 1314 1320 1323 2 1308 1302 1311 41 1305 1302 1308 41 1305 1302 1311 41 1296 1290 1299 41 1293 1290 1296 41 1293 1290 1299 41 1287 1284 1290 59 1287 1284 1302 59 1284 1290 1293 60 1284 1290 1296 60 1284 1290 1299 60 1284 1302 1305 60 1284 1302 1308 60 1284 1302 1311 60 1281 1275 1284 61 1278 1275 1281 21 1278 1275 1284 61 1275 1284 1287 62 1272 1269 1275 27 1272 1269 1314 28 1269 1275 1278 29 1269 1275 1281 29 1266 1263 1269 33 1263 1269 1272 34 1386 1392 1395 2 1380 1377 1383 101 1374 1371 1377 47 1371 1377 1380 47 1368 1365 1371 47 1365 1371 1374 47 1362 1359 1365 47 1359 1365 1368 47 1356 1359 1362 104 1353 1350 1356 107 1347 1344 1350 110 1344 1350 1353 112 1341 1344 1347 114 1338 1332 1341 118 1335 1332 1338 41 1335 1332 1341 118 1329 1326 1332 43 1329 1326 1386 28 1326 1332 1335 44 1326 1332 1338 44 1323 1320 1326 33 1320 1326 1329 34 1416 1422 1425 2 1410 1404 1413 5 1407 1404 1410 6 1407 1404 1413 5 1401 1398 1404 27 1401 1398 1416 28 1398 1404 1407 82 1398 1404 1410 82 1395 1392 1398 33 1392 1398 1401 34 1452 1458 1461 2 1440 1434 1443 38 1437 1434 1440 21 1437 1434 1443 38 1431 1428 1434 27 1431 1428 1452 28 1428 1434 1437 29 1428 1434 1440 29 1425 1422 1428 33 1422 1428 1431 34 1524 1530 1533 2 1518 1515 1521 101 1512 1509 1515 47 1509 1515 1518 47 1506 1503 1509 47 1503 1509 1512 47 1500 1497 1503 47 1497 1503 1506 47 1494 1497 1500 104 1491 1488 1494 107 1485 1482 1488 110 1482 1488 1491 112 1479 1482 1485 114 1476 1470 1479 118 1473 1470 1476 41 1473 1470 1479 118 1467 1464 1470 43 1467 1464 1524 28 1464 1470 1473 44 1464 1470 1476 44 1461 1458 1464 33 1458 1464 1467 34 1545 1551 1554 2 1542 1536 1545 28 1539 1536 1542 57 1539 1536 1545 28 1533 1530 1536 33 1530 1536 1539 34 1530 1536 1542 34 1617 1623 1626 2 1611 1608 1614 65 1602 1599 1605 65 1596 1599 1602 67 1596 1599 1605 67 1596 1608 1611 67 1596 1608 1614 67 1593 1590 1596 67 1587 1581 1590 68 1584 1581 1587 69 1584 1581 1590 68 1581 1590 1593 70 1578 1572 1581 72 1575 1572 1578 73 1575 1572 1581 72 1572 1581 1584 74 1572 1581 1587 74 1569 1563 1572 72 1566 1563 1569 73 1566 1563 1572 72 1563 1572 1575 72 1563 1572 1578 72 1560 1557 1563 78 1560 1557 1617 28 1557 1563 1566 79 1557 1563 1569 79 1554 1551 1557 33 1551 1557 1560 34 1659 1665 1668 2 1647 1641 1650 41 1644 1641 1647 41 1644 1641 1650 41 1638 1635 1641 85 1638 1635 1653 86 1635 1641 1644 60 1635 1641 1647 60 1635 1641 1650 60 1635 1653 1656 88 1632 1629 1635 89 1632 1629 1659 28 1629 1635 1638 90 1626 1623 1629 33 1623 1629 1632 34 1716 1722 1725 2 1710 1704 1713 41 1707 1704 1710 41 1707 1704 1713 41 1701 1695 1704 122 1698 1695 1701 21 1698 1695 1704 122 1695 1704 1707 123 1695 1704 1710 123 1695 1704 1713 123 1689 1683 1692 41 1686 1683 1689 41 1686 1683 1692 41 1680 1677 1683 59 1680 1677 1695 62 1677 1683 1686 60 1677 1683 1689 60 1677 1683 1692 60 1677 1695 1698 61 1677 1695 1701 61 1674 1671 1677 89 1674 1671 1716 28 1671 1677 1680 94 1668 1665 1671 33 1665 1671 1674 34 1788 1794 1797 2 1782 1779 1785 65 1773 1770 1776 65 1767 1770 1773 67 1767 1770 1776 67 1767 1779 1782 67 1767 1779 1785 67 1764 1761 1767 67 1758 1752 1761 68 1755 1752 1758 69 1755 1752 1761 68 1752 1761 1764 70 1749 1743 1752 72 1746 1743 1749 73 1746 1743 1752 72 1743 1752 1755 74 1743 1752 1758 74 1740 1734 1743 72 1737 1734 1740 73 1737 1734 1743 72 1734 1743 1746 72 1734 1743 1749 72 1731 1728 1734 78 1731 1728 1788 28 1728 1734 1737 79 1728 1734 1740 79 1725 1722 1728 33 1722 1728 1731 34 1821 1827 1830 2 1812 1806 1815 126 1809 1806 1812 6 1809 1806 1815 126 1806 1815 1818 127 1803 1800 1806 27 1803 1800 1821 28 1800 1806 1809 82 1800 1806 1812 82 1797 1794 1800 33 1794 1800 1803 34 1884 1890 1893 2 1875 1872 1878 47 1872 1878 1881 47 1863 1866 1869 49 1863 1872 1875 50 1860 1857 1863 50 1854 1851 1857 47 1851 1857 1860 47 1848 1851 1854 47 1848 1878 1881 47 1845 1839 1848 54 1842 1839 1845 41 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2040 41 2037 2034 2043 41 2031 2028 2034 59 2031 2028 2046 59 2028 2034 2037 60 2028 2034 2040 60 2028 2034 2043 60 2028 2046 2049 60 2028 2046 2052 60 2028 2046 2055 60 2025 2019 2028 61 2022 2019 2025 21 2022 2019 2028 61 2019 2028 2031 62 2016 2013 2019 27 2016 2013 2058 28 2013 2019 2022 29 2013 2019 2025 29 2010 2007 2013 33 2007 2013 2016 34 2088 2094 2097 2 2082 2076 2085 41 2079 2076 2082 41 2079 2076 2085 41 2073 2070 2076 43 2073 2070 2088 28 2070 2076 2079 44 2070 2076 2082 44 2070 2076 2085 44 2067 2064 2070 33 2064 2070 2073 34 2124 2130 2133 2 2112 2106 2115 38 2109 2106 2112 21 2109 2106 2115 38 2103 2100 2106 27 2103 2100 2124 28 2100 2106 2109 29 2100 2106 2112 29 2097 2094 2100 33 2094 2100 2103 34 2154 2160 2163 2 2148 2142 2151 5 2145 2142 2148 6 2145 2142 2151 5 2139 2136 2142 27 2139 2136 2154 28 2136 2142 2145 82 2136 2142 2148 82 2133 2130 2136 33 2130 2136 2139 34 2196 2202 2205 2 2184 2178 2187 41 2181 2178 2184 41 2181 2178 2187 41 2175 2172 2178 85 2175 2172 2190 86 2172 2178 2181 60 2172 2178 2184 60 2172 2178 2187 60 2172 2190 2193 88 2169 2166 2172 89 2169 2166 2196 28 2166 2172 2175 90 2163 2160 2166 33 2160 2166 2169 34 2268 2274 2277 2 2262 2259 2265 101 2256 2253 2259 47 2253 2259 2262 47 2250 2247 2253 47 2247 2253 2256 47 2244 2241 2247 47 2241 2247 2250 47 2238 2241 2244 104 2235 2232 2238 107 2229 2226 2232 110 2226 2232 2235 112 2223 2226 2229 114 2220 2214 2223 118 2217 2214 2220 41 2217 2214 2223 118 2211 2208 2214 43 2211 2208 2268 28 2208 2214 2217 44 2208 2214 2220 44 2205 2202 2208 33 2202 2208 2211 34 2322 2328 2331 2 2313 2310 2316 112 2310 2316 2319 110 2307 2304 2310 129 2304 2310 2313 130 2301 2298 2304 130 2298 2304 2307 129 2295 2298 2301 134 2295 2316 2319 137 2292 2286 2295 138 2289 2286 2292 41 2289 2286 2295 138 2283 2280 2286 43 2283 2280 2322 28 2280 2286 2289 44 2280 2286 2292 44 2277 2274 2280 33 2274 2280 2283 34 2373 2379 2382 2 2367 2361 2370 96 2364 2361 2367 96 2364 2361 2370 96 2358 2361 2364 97 2358 2361 2367 97 2358 2361 2370 97 2355 2349 2358 5 2352 2349 2355 6 2352 2349 2358 5 2346 2340 2349 24 2343 2340 2346 21 2343 2340 2349 24 2340 2349 2352 99 2340 2349 2355 99 2337 2334 2340 27 2337 2334 2373 28 2334 2340 2343 29 2334 2340 2346 29 2331 2328 2334 33 2328 2334 2337 34 2403 2409 2412 2 2397 2391 2400 41 2394 2391 2397 41 2394 2391 2400 41 2388 2385 2391 43 2388 2385 2403 28 2385 2391 2394 44 2385 2391 2397 44 2385 2391 2400 44 2382 2379 2385 33 2379 2385 2388 34 2448 2454 2457 2 2436 2430 2439 38 2433 2430 2436 21 2433 2430 2439 38 2427 2421 2430 24 2424 2421 2427 21 2424 2421 2430 24 2421 2430 2433 24 2421 2430 2436 24 2418 2415 2421 27 2418 2415 2448 28 2415 2421 2424 29 2415 2421 2427 29 2412 2409 2415 33 2409 2415 2418 34 2514 2520 2523 2 2508 2502 2511 15 2505 2502 2508 15 2505 2502 2511 15 2499 2493 2502 142 2496 2493 2499 143 2496 2493 2502 142 2493 2502 2505 144 2493 2502 2508 144 2493 2502 2511 144 2490 2484 2493 72 2487 2484 2490 73 2487 2484 2493 72 2484 2493 2496 145 2484 2493 2499 145 2481 2475 2484 72 2478 2475 2481 73 2478 2475 2484 72 2475 2484 2487 72 2475 2484 2490 72 2472 2466 2475 72 2469 2466 2472 73 2469 2466 2475 72 2466 2475 2478 72 2466 2475 2481 72 2463 2460 2466 78 2463 2460 2514 28 2460 2466 2469 79 2460 2466 2472 79 2457 2454 2460 33 2454 2460 2463 34 2571 2577 2580 2 2565 2559 2568 41 2562 2559 2565 41 2562 2559 2568 41 2553 2547 2556 41 2550 2547 2553 41 2550 2547 2556 41 2544 2541 2547 59 2544 2541 2559 59 2541 2547 2550 60 2541 2547 2553 60 2541 2547 2556 60 2541 2559 2562 60 2541 2559 2565 60 2541 2559 2568 60 2538 2532 2541 61 2535 2532 2538 21 2535 2532 2541 61 2532 2541 2544 62 2529 2526 2532 27 2529 2526 2571 28 2526 2532 2535 29 2526 2532 2538 29 2523 2520 2526 33 2520 2526 2529 34 2592 2598 2601 2 2589 2583 2592 28 2586 2583 2589 57 2586 2583 2592 28 2580 2577 2583 33 2577 2583 2586 34 2577 2583 2589 34 2622 2628 2631 2 2616 2610 2619 5 2613 2610 2616 6 2613 2610 2619 5 2607 2604 2610 27 2607 2604 2622 28 2604 2610 2613 82 2604 2610 2616 82 2601 2598 2604 33 2598 2604 2607 34 2682 2688 2691 2 2673 2670 2676 47 2670 2676 2679 47 2667 2664 2670 47 2664 2670 2673 47 2661 2658 2664 47 2658 2664 2667 47 2655 2652 2658 47 2652 2658 2661 47 2649 2652 2655 47 2649 2676 2679 47 2646 2640 2649 54 2643 2640 2646 41 2643 2640 2649 54 2637 2634 2640 43 2637 2634 2682 28 2634 2640 2643 44 2634 2640 2646 44 2631 2628 2634 33 2628 2634 2637 34 2748 2745 2751 101 2742 2739 2745 47 2739 2745 2748 47 2736 2733 2739 47 2733 2739 2742 47 2730 2727 2733 47 2727 2733 2736 47 2724 2727 2730 104 2721 2718 2724 107 2715 2712 2718 110 2712 2718 2721 112 2709 2712 2715 114 2706 2700 2709 118 2703 2700 2706 41 2703 2700 2709 118 2697 2694 2700 43 2697 2694 2754 28 2694 2700 2703 44 2694 2700 2706 44 2691 2688 2694 33 2688 2694 2697 34 2796 2802 2805 2 2793 2790 2796 28 2787 2781 2790 44 2784 2781 2787 41 2784 2781 2790 44 2781 2790 2793 43 2778 2772 2781 148 2775 2772 2778 41 2775 2772 2781 148 2772 2781 2784 148 2772 2781 2787 148 2769 2763 2772 150 2766 2763 2769 96 2766 2763 2772 150 2763 2772 2775 148 2763 2772 2778 148 2760 2763 2766 153 2760 2763 2769 153 2760 2790 2793 34 2838 2844 2847 2 2832 2829 2835 19 2823 2829 2832 2 2823 2829 2835 2 2820 2814 2823 20 2817 2814 2820 21 2817 2814 2823 20 2811 2808 2814 27 2811 2808 2838 28 2808 2814 2817 29 2808 2814 2820 29 2805 2802 2808 33 2802 2808 2811 34 2868 2874 2877 2 2862 2856 2865 41 2859 2856 2862 41 2859 2856 2865 41 2853 2850 2856 43 2853 2850 2868 28 2850 2856 2859 44 2850 2856 2862 44 2850 2856 2865 44 2847 2844 2850 33 2844 2850 2853 34 2913 2919 2922 2 2901 2895 2904 38 2898 2895 2901 21 2898 2895 2904 38 2892 2886 2895 24 2889 2886 2892 21 2889 2886 2895 24 2886 2895 2898 24 2886 2895 2901 24 2883 2880 2886 27 2883 2880 2913 28 2880 2886 2889 29 2880 2886 2892 29 2877 2874 2880 33 2874 2880 2883 34 2961 2967 2970 2 2955 2949 2958 41 2952 2949 2955 41 2952 2949 2958 41 2943 2937 2946 41 2940 2937 2943 41 2940 2937 2946 41 2934 2931 2937 59 2934 2931 2949 59 2931 2937 2940 60 2931 2937 2943 60 2931 2937 2946 60 2931 2949 2952 60 2931 2949 2955 60 2931 2949 2958 60 2928 2925 2931 89 2928 2925 2961 28 2925 2931 2934 94 2922 2919 2925 33 2919 2925 2928 34 2997 3003 3006 2 2985 2979 2988 38 2982 2979 2985 21 2982 2979 2988 38 2976 2973 2979 27 2976 2973 2997 28 2973 2979 2982 29 2973 2979 2985 29 2970 2967 2973 33 2967 2973 2976 34 3069 3075 3078 2 3063 3060 3066 65 3054 3051 3057 65 3048 3051 3054 67 3048 3051 3057 67 3048 3060 3063 67 3048 3060 3066 67 3045 3042 3048 67 3039 3033 3042 68 3036 3033 3039 69 3036 3033 3042 68 3033 3042 3045 70 3030 3024 3033 72 3027 3024 3030 73 3027 3024 3033 72 3024 3033 3036 74 3024 3033 3039 74 3021 3015 3024 72 3018 3015 3021 73 3018 3015 3024 72 3015 3024 3027 72 3015 3024 3030 72 3012 3009 3015 78 3012 3009 3069 28 3009 3015 3018 79 3009 3015 3021 79 3006 3003 3009 33 3003 3009 3012 34 3129 3135 3138 2 3120 3117 3123 47 3117 3123 3126 47 3114 3111 3117 47 3111 3117 3120 47 3108 3105 3111 47 3105 3111 3114 47 3102 3099 3105 47 3099 3105 3108 47 3096 3099 3102 47 3096 3123 3126 47 3093 3087 3096 54 3090 3087 3093 41 3090 3087 3096 54 3084 3081 3087 43 3084 3081 3129 28 3081 3087 3090 44 3081 3087 3093 44 3078 3075 3081 33 3075 3081 3084 34 3189 3195 3198 2 3180 3177 3183 47 3177 3183 3186 47 3174 3171 3177 47 3171 3177 3180 47 3168 3165 3171 47 3165 3171 3174 47 3162 3159 3165 47 3159 3165 3168 47 3156 3159 3162 47 3156 3183 3186 47 3153 3147 3156 54 3150 3147 3153 41 3150 3147 3156 54 3144 3141 3147 43 3144 3141 3189 28 3141 3147 3150 44 3141 3147 3153 44 3138 3135 3141 33 3135 3141 3144 34 3246 3252 3255 2 3240 3234 3243 41 3237 3234 3240 41 3237 3234 3243 41 3228 3222 3231 41 3225 3222 3228 41 3225 3222 3231 41 3219 3216 3222 59 3219 3216 3234 59 3216 3222 3225 60 3216 3222 3228 60 3216 3222 3231 60 3216 3234 3237 60 3216 3234 3240 60 3216 3234 3243 60 3213 3207 3216 61 3210 3207 3213 21 3210 3207 3216 61 3207 3216 3219 62 3204 3201 3207 27 3204 3201 3246 28 3201 3207 3210 29 3201 3207 3213 29 3198 3195 3201 33 3195 3201 3204 34 3276 3282 3285 2 3270 3264 3273 41 3267 3264 3270 41 3267 3264 3273 41 3261 3258 3264 43 3261 3258 3276 28 3258 3264 3267 44 3258 3264 3270 44 3258 3264 3273 44 3255 3252 3258 33 3252 3258 3261 34 3324 3330 3333 2 3318 3312 3321 41 3315 3312 3318 41 3315 3312 3321 41 3306 3300 3309 41 3303 3300 3306 41 3303 3300 3309 41 3297 3294 3300 59 3297 3294 3312 59 3294 3300 3303 60 3294 3300 3306 60 3294 3300 3309 60 3294 3312 3315 60 3294 3312 3318 60 3294 3312 3321 60 3291 3288 3294 89 3291 3288 3324 28 3288 3294 3297 94 3285 3282 3288 33 3282 3288 3291 34 3375 3381 3384 2 3366 3369 3372 155 3363 3360 3366 156 3357 3354 3360 130 3354 3360 3363 129 3351 3354 3357 134 3351 3369 3372 161 3348 3342 3351 138 3345 3342 3348 41 3345 3342 3351 138 3339 3336 3342 43 3339 3336 3375 28 3336 3342 3345 44 3336 3342 3348 44 3333 3330 3336 33 3330 3336 3339 34 3396 3402 3405 2 3393 3387 3396 28 3390 3387 3393 57 3390 3387 3396 28 3384 3381 3387 33 3381 3387 3390 34 3381 3387 3393 34 3468 3474 3477 2 3462 3459 3465 65 3453 3450 3456 65 3447 3450 3453 67 3447 3450 3456 67 3447 3459 3462 67 3447 3459 3465 67 3444 3441 3447 67 3438 3432 3441 68 3435 3432 3438 69 3435 3432 3441 68 3432 3441 3444 70 3429 3423 3432 72 3426 3423 3429 73 3426 3423 3432 72 3423 3432 3435 74 3423 3432 3438 74 3420 3414 3423 72 3417 3414 3420 73 3417 3414 3423 72 3414 3423 3426 72 3414 3423 3429 72 3411 3408 3414 78 3411 3408 3468 28 3408 3414 3417 79 3408 3414 3420 79 3405 3402 3408 33 3402 3408 3411 34 3531 3537 3540 2 3522 3519 3525 47 3519 3525 3528 47 3510 3513 3516 49 3510 3519 3522 50 3507 3504 3510 50 3501 3498 3504 47 3498 3504 3507 47 3495 3498 3501 47 3495 3525 3528 47 3492 3486 3495 54 3489 3486 3492 41 3489 3486 3495 54 3483 3480 3486 43 3483 3480 3531 28 3480 3486 3489 44 3480 3486 3492 44 3477 3474 3480 33 3474 3480 3483 34 3591 3597 3600 2 3582 3579 3585 47 3579 3585 3588 47 3576 3573 3579 47 3573 3579 3582 47 3570 3567 3573 47 3567 3573 3576 47 3564 3561 3567 47 3561 3567 3570 47 3558 3561 3564 47 3558 3585 3588 47 3555 3549 3558 54 3552 3549 3555 41 3552 3549 3558 54 3546 3543 3549 43 3546 3543 3591 28 3543 3549 3552 44 3543 3549 3555 44 3540 3537 3543 33 3537 3543 3546 34 3663 3669 3672 2 3657 3654 3660 65 3648 3645 3651 65 3642 3645 3648 67 3642 3645 3651 67 3642 3654 3657 67 3642 3654 3660 67 3639 3636 3642 67 3633 3627 3636 68 3630 3627 3633 69 3630 3627 3636 68 3627 3636 3639 70 3624 3618 3627 72 3621 3618 3624 73 3621 3618 3627 72 3618 3627 3630 74 3618 3627 3633 74 3615 3609 3618 72 3612 3609 3615 73 3612 3609 3618 72 3609 3618 3621 72 3609 3618 3624 72 3606 3603 3609 78 3606 3603 3663 28 3603 3609 3612 79 3603 3609 3615 79 3600 3597 3603 33 3597 3603 3606 34 3696 3702 3705 2 3687 3681 3690 126 3684 3681 3687 6 3684 3681 3690 126 3681 3690 3693 127 3678 3675 3681 27 3678 3675 3696 28 3675 3681 3684 82 3675 3681 3687 82 3672 3669 3675 33 3669 3675 3678 34 3720 3714 3723 5 3717 3714 3720 6 3717 3714 3723 5 3711 3708 3714 27 3711 3708 3726 28 3708 3714 3717 82 3708 3714 3720 82 3705 3702 3708 33 3702 3708 3711 34 3768 3774 3777 2 3765 3762 3768 28 3759 3753 3762 44 3756 3753 3759 41 3756 3753 3762 44 3753 3762 3765 43 3750 3744 3753 148 3747 3744 3750 41 3747 3744 3753 148 3744 3753 3756 148 3744 3753 3759 148 3741 3735 3744 150 3738 3735 3741 96 3738 3735 3744 150 3735 3744 3747 148 3735 3744 3750 148 3732 3735 3738 153 3732 3735 3741 153 3732 3762 3765 34 3825 3831 3834 2 3819 3813 3822 41 3816 3813 3819 41 3816 3813 3822 41 3810 3804 3813 122 3807 3804 3810 21 3807 3804 3813 122 3804 3813 3816 123 3804 3813 3819 123 3804 3813 3822 123 3798 3792 3801 41 3795 3792 3798 41 3795 3792 3801 41 3789 3786 3792 59 3789 3786 3804 62 3786 3792 3795 60 3786 3792 3798 60 3786 3792 3801 60 3786 3804 3807 61 3786 3804 3810 61 3783 3780 3786 89 3783 3780 3825 28 3780 3786 3789 94 3777 3774 3780 33 3774 3780 3783 34 3849 3843 3852 126 3846 3843 3849 6 3846 3843 3852 126 3843 3852 3855 127 3840 3837 3843 165 3840 3837 3858 166 3837 3843 3846 10 3837 3843 3849 10 3834 3831 3837 169 3831 3837 3840 170 %FLAG ANGLES_WITHOUT_HYDROGEN %FORMAT(10I8) 33 30 36 1 30 36 42 3 27 2619 2610 4 18 12 30 7 18 27 2619 4 12 18 27 11 12 30 33 12 12 30 36 13 0 12 18 17 0 12 30 18 84 81 87 1 81 87 93 3 69 66 72 1 57 66 69 22 57 66 72 23 48 42 81 25 48 57 66 26 42 48 57 30 42 81 84 31 42 81 87 32 36 42 48 35 36 42 81 36 129 126 132 1 126 132 138 3 120 117 123 37 108 117 120 39 108 117 123 39 99 93 126 25 99 108 117 40 93 99 108 30 93 126 129 31 93 126 132 32 87 93 99 35 87 93 126 36 159 156 162 1 156 162 168 3 144 138 156 42 138 156 159 31 138 156 162 32 132 138 144 45 132 138 156 36 201 198 204 1 198 204 210 3 186 183 189 1 174 168 198 25 174 183 186 22 174 183 189 23 168 174 183 46 168 198 201 31 168 198 204 32 162 168 174 35 162 168 198 36 264 261 267 1 261 267 273 3 243 240 249 48 240 249 255 51 234 240 243 48 234 240 249 52 228 225 255 53 228 234 240 51 225 228 234 53 225 255 249 53 216 210 261 42 216 225 228 55 216 225 255 55 210 216 225 56 210 261 264 31 210 261 267 32 204 210 216 45 204 210 261 36 285 282 288 1 282 288 294 3 273 282 285 31 273 282 288 32 267 273 282 36 315 312 318 1 312 318 324 3 300 294 312 42 294 312 315 31 294 312 318 32 288 294 300 45 288 294 312 36 372 369 375 1 369 375 381 3 345 339 357 58 330 324 369 25 330 339 345 63 330 339 357 63 324 330 339 64 324 369 372 31 324 369 375 32 318 324 330 35 318 324 369 36 429 426 432 1 426 432 438 3 402 396 414 58 387 381 426 25 387 396 402 63 387 396 414 63 381 387 396 64 381 426 429 31 381 426 432 32 375 381 387 35 375 381 426 36 501 498 504 1 498 504 510 3 480 477 489 66 471 477 480 66 471 477 489 66 462 471 477 71 453 462 471 75 444 438 498 76 444 453 462 77 438 444 453 80 438 498 501 31 438 498 504 32 432 438 444 81 432 438 498 36 546 543 549 1 543 549 555 3 537 534 540 37 525 534 537 39 525 534 540 39 516 510 543 25 516 525 534 40 510 516 525 30 510 543 546 31 510 543 549 32 504 510 516 35 504 510 543 36 603 600 606 1 600 606 612 3 576 570 588 58 561 555 600 25 561 570 576 63 561 570 588 63 555 561 570 64 555 600 603 31 555 600 606 32 549 555 561 35 549 555 600 36 633 630 636 1 630 636 642 3 627 2151 2142 4 618 612 630 25 618 627 2151 4 612 618 627 83 612 630 633 31 612 630 636 32 606 612 618 35 606 612 630 36 690 687 693 1 687 693 699 3 663 657 675 58 648 642 687 25 648 657 663 63 648 657 675 63 642 648 657 64 642 687 690 31 642 687 693 32 636 642 648 35 636 642 687 36 732 729 735 1 729 735 741 3 711 705 723 84 705 699 729 87 699 705 711 91 699 705 723 92 699 729 732 31 699 729 735 32 693 699 705 93 693 699 729 36 783 780 786 1 780 786 792 3 768 765 771 1 756 765 768 22 756 765 771 23 747 741 780 25 747 756 765 26 741 747 756 30 741 780 783 31 741 780 786 32 735 741 747 35 735 741 780 36 843 840 846 1 840 846 852 3 822 828 834 53 816 822 828 53 810 807 834 53 810 816 822 53 807 810 816 53 807 834 828 53 798 792 840 42 798 807 810 55 798 807 834 55 792 798 807 56 792 840 843 31 792 840 846 32 786 792 798 45 786 792 840 36 894 891 897 1 891 897 903 3 879 876 882 1 867 876 879 22 867 876 882 23 858 852 891 25 858 867 876 26 852 858 867 30 852 891 894 31 852 891 897 32 846 852 858 35 846 852 891 36 942 939 945 1 939 945 951 3 915 909 927 58 909 903 939 87 903 909 915 91 903 909 927 91 903 939 942 31 903 939 945 32 897 903 909 93 897 903 939 36 978 975 981 1 975 981 987 3 969 966 972 37 957 951 975 25 957 966 969 39 957 966 972 39 951 957 966 95 951 975 978 31 951 975 981 32 945 951 957 35 945 951 975 36 1029 1026 1032 1 1026 1032 1038 3 1002 1011 1014 98 993 987 1026 25 993 1002 1011 100 987 993 1002 30 987 1026 1029 31 987 1026 1032 32 981 987 993 35 981 987 1026 36 1074 1071 1077 1 1071 1077 1083 3 1065 1062 1068 37 1053 1062 1065 39 1053 1062 1068 39 1044 1038 1071 25 1044 1053 1062 40 1038 1044 1053 30 1038 1071 1074 31 1038 1071 1077 32 1032 1038 1044 35 1032 1038 1071 36 1104 1101 1107 1 1101 1107 1113 3 1089 1083 1101 42 1083 1101 1104 31 1083 1101 1107 32 1077 1083 1089 45 1077 1083 1101 36 1152 1149 1155 1 1149 1155 1161 3 1125 1119 1137 58 1119 1113 1149 87 1113 1119 1125 91 1113 1119 1137 91 1113 1149 1152 31 1113 1149 1155 32 1107 1113 1119 93 1107 1113 1149 36 1173 1170 1176 1 1170 1176 1182 3 1161 1170 1173 31 1161 1170 1176 32 1155 1161 1170 36 1218 1215 1221 1 1215 1221 1227 3 1209 1206 1212 37 1197 1206 1209 39 1197 1206 1212 39 1188 1182 1215 25 1188 1197 1206 40 1182 1188 1197 30 1182 1215 1218 31 1182 1215 1221 32 1176 1182 1188 35 1176 1182 1215 36 1260 1257 1263 1 1257 1263 1269 3 1239 1233 1251 84 1233 1227 1257 87 1227 1233 1239 91 1227 1233 1251 92 1227 1257 1260 31 1227 1257 1263 32 1221 1227 1233 93 1221 1227 1257 36 1317 1314 1320 1 1314 1320 1326 3 1290 1284 1302 58 1275 1269 1314 25 1275 1284 1290 63 1275 1284 1302 63 1269 1275 1284 64 1269 1314 1317 31 1269 1314 1320 32 1263 1269 1275 35 1263 1269 1314 36 1389 1386 1392 1 1386 1392 1398 3 1371 1377 1383 102 1365 1371 1377 53 1359 1356 1383 103 1359 1365 1371 53 1356 1359 1365 105 1356 1383 1377 106 1350 1356 1359 108 1350 1356 1383 109 1344 1341 1383 111 1344 1350 1356 113 1341 1344 1350 115 1341 1383 1356 116 1341 1383 1377 117 1332 1326 1386 42 1332 1341 1344 119 1332 1341 1383 120 1326 1332 1341 121 1326 1386 1389 31 1326 1386 1392 32 1320 1326 1332 45 1320 1326 1386 36 1419 1416 1422 1 1416 1422 1428 3 1413 3723 3714 4 1404 1398 1416 25 1404 1413 3723 4 1398 1404 1413 83 1398 1416 1419 31 1398 1416 1422 32 1392 1398 1404 35 1392 1398 1416 36 1455 1452 1458 1 1452 1458 1464 3 1446 1443 1449 37 1434 1428 1452 25 1434 1443 1446 39 1434 1443 1449 39 1428 1434 1443 95 1428 1452 1455 31 1428 1452 1458 32 1422 1428 1434 35 1422 1428 1452 36 1527 1524 1530 1 1524 1530 1536 3 1509 1515 1521 102 1503 1509 1515 53 1497 1494 1521 103 1497 1503 1509 53 1494 1497 1503 105 1494 1521 1515 106 1488 1494 1497 108 1488 1494 1521 109 1482 1479 1521 111 1482 1488 1494 113 1479 1482 1488 115 1479 1521 1494 116 1479 1521 1515 117 1470 1464 1524 42 1470 1479 1482 119 1470 1479 1521 120 1464 1470 1479 121 1464 1524 1527 31 1464 1524 1530 32 1458 1464 1470 45 1458 1464 1524 36 1548 1545 1551 1 1545 1551 1557 3 1536 1545 1548 31 1536 1545 1551 32 1530 1536 1545 36 1620 1617 1623 1 1617 1623 1629 3 1599 1596 1608 66 1590 1596 1599 66 1590 1596 1608 66 1581 1590 1596 71 1572 1581 1590 75 1563 1557 1617 76 1563 1572 1581 77 1557 1563 1572 80 1557 1617 1620 31 1557 1617 1623 32 1551 1557 1563 81 1551 1557 1617 36 1662 1659 1665 1 1659 1665 1671 3 1641 1635 1653 84 1635 1629 1659 87 1629 1635 1641 91 1629 1635 1653 92 1629 1659 1662 31 1629 1659 1665 32 1623 1629 1635 93 1623 1629 1659 36 1719 1716 1722 1 1716 1722 1728 3 1683 1677 1695 63 1677 1671 1716 87 1677 1695 1704 124 1671 1677 1683 91 1671 1677 1695 125 1671 1716 1719 31 1671 1716 1722 32 1665 1671 1677 93 1665 1671 1716 36 1791 1788 1794 1 1788 1794 1800 3 1770 1767 1779 66 1761 1767 1770 66 1761 1767 1779 66 1752 1761 1767 71 1743 1752 1761 75 1734 1728 1788 76 1734 1743 1752 77 1728 1734 1743 80 1728 1788 1791 31 1728 1788 1794 32 1722 1728 1734 81 1722 1728 1788 36 1824 1821 1827 1 1821 1827 1833 3 1806 1800 1821 25 1800 1806 1815 128 1800 1821 1824 31 1800 1821 1827 32 1794 1800 1806 35 1794 1800 1821 36 1887 1884 1890 1 1884 1890 1896 3 1866 1863 1872 48 1863 1872 1878 51 1857 1863 1866 48 1857 1863 1872 52 1851 1848 1878 53 1851 1857 1863 51 1848 1851 1857 53 1848 1878 1872 53 1839 1833 1884 42 1839 1848 1851 55 1839 1848 1878 55 1833 1839 1848 56 1833 1884 1887 31 1833 1884 1890 32 1827 1833 1839 45 1827 1833 1884 36 1959 1956 1962 1 1956 1962 1968 3 1938 1935 1947 66 1929 1935 1938 66 1929 1935 1947 66 1920 1929 1935 71 1911 1920 1929 75 1902 1896 1956 76 1902 1911 1920 77 1896 1902 1911 80 1896 1956 1959 31 1896 1956 1962 32 1890 1896 1902 81 1890 1896 1956 36 2004 2001 2007 1 2001 2007 2013 3 1995 1992 1998 37 1983 1992 1995 39 1983 1992 1998 39 1974 1968 2001 25 1974 1983 1992 40 1968 1974 1983 30 1968 2001 2004 31 1968 2001 2007 32 1962 1968 1974 35 1962 1968 2001 36 2061 2058 2064 1 2058 2064 2070 3 2034 2028 2046 58 2019 2013 2058 25 2019 2028 2034 63 2019 2028 2046 63 2013 2019 2028 64 2013 2058 2061 31 2013 2058 2064 32 2007 2013 2019 35 2007 2013 2058 36 2091 2088 2094 1 2088 2094 2100 3 2076 2070 2088 42 2070 2088 2091 31 2070 2088 2094 32 2064 2070 2076 45 2064 2070 2088 36 2127 2124 2130 1 2124 2130 2136 3 2118 2115 2121 37 2106 2100 2124 25 2106 2115 2118 39 2106 2115 2121 39 2100 2106 2115 95 2100 2124 2127 31 2100 2124 2130 32 2094 2100 2106 35 2094 2100 2124 36 2157 2154 2160 1 2154 2160 2166 3 2142 2136 2154 25 2136 2142 2151 83 2136 2154 2157 31 2136 2154 2160 32 2130 2136 2142 35 2130 2136 2154 36 2199 2196 2202 1 2196 2202 2208 3 2178 2172 2190 84 2172 2166 2196 87 2166 2172 2178 91 2166 2172 2190 92 2166 2196 2199 31 2166 2196 2202 32 2160 2166 2172 93 2160 2166 2196 36 2271 2268 2274 1 2268 2274 2280 3 2253 2259 2265 102 2247 2253 2259 53 2241 2238 2265 103 2241 2247 2253 53 2238 2241 2247 105 2238 2265 2259 106 2232 2238 2241 108 2232 2238 2265 109 2226 2223 2265 111 2226 2232 2238 113 2223 2226 2232 115 2223 2265 2238 116 2223 2265 2259 117 2214 2208 2268 42 2214 2223 2226 119 2214 2223 2265 120 2208 2214 2223 121 2208 2268 2271 31 2208 2268 2274 32 2202 2208 2214 45 2202 2208 2268 36 2325 2322 2328 1 2322 2328 2334 3 2304 2310 2316 131 2298 2295 2316 132 2298 2304 2310 133 2295 2298 2304 135 2295 2316 2310 136 2286 2280 2322 42 2286 2295 2298 139 2286 2295 2316 140 2280 2286 2295 141 2280 2322 2325 31 2280 2322 2328 32 2274 2280 2286 45 2274 2280 2322 36 2376 2373 2379 1 2373 2379 2385 3 2349 2358 2361 98 2340 2334 2373 25 2340 2349 2358 100 2334 2340 2349 30 2334 2373 2376 31 2334 2373 2379 32 2328 2334 2340 35 2328 2334 2373 36 2406 2403 2409 1 2403 2409 2415 3 2391 2385 2403 42 2385 2403 2406 31 2385 2403 2409 32 2379 2385 2391 45 2379 2385 2403 36 2451 2448 2454 1 2448 2454 2460 3 2442 2439 2445 37 2430 2439 2442 39 2430 2439 2445 39 2421 2415 2448 25 2421 2430 2439 40 2415 2421 2430 30 2415 2448 2451 31 2415 2448 2454 32 2409 2415 2421 35 2409 2415 2448 36 2517 2514 2520 1 2514 2520 2526 3 2484 2493 2502 146 2475 2484 2493 77 2466 2460 2514 76 2466 2475 2484 77 2460 2466 2475 80 2460 2514 2517 31 2460 2514 2520 32 2454 2460 2466 81 2454 2460 2514 36 2574 2571 2577 1 2571 2577 2583 3 2547 2541 2559 58 2532 2526 2571 25 2532 2541 2547 63 2532 2541 2559 63 2526 2532 2541 64 2526 2571 2574 31 2526 2571 2577 32 2520 2526 2532 35 2520 2526 2571 36 2595 2592 2598 1 2592 2598 2604 3 2583 2592 2595 31 2583 2592 2598 32 2577 2583 2592 36 2625 2622 2628 1 2622 2628 2634 3 2610 2604 2622 25 2604 2610 2619 83 2604 2622 2625 31 2604 2622 2628 32 2598 2604 2610 35 2598 2604 2622 36 2685 2682 2688 1 2682 2688 2694 3 2664 2670 2676 53 2658 2664 2670 53 2652 2649 2676 53 2652 2658 2664 53 2649 2652 2658 53 2649 2676 2670 53 2640 2634 2682 42 2640 2649 2652 55 2640 2649 2676 55 2634 2640 2649 56 2634 2682 2685 31 2634 2682 2688 32 2628 2634 2640 45 2628 2634 2682 36 2757 2754 2760 1 2754 2760 2763 147 2754 2760 2790 3 2739 2745 2751 102 2733 2739 2745 53 2727 2724 2751 103 2727 2733 2739 53 2724 2727 2733 105 2724 2751 2745 106 2718 2724 2727 108 2718 2724 2751 109 2712 2709 2751 111 2712 2718 2724 113 2709 2712 2718 115 2709 2751 2724 116 2709 2751 2745 117 2700 2694 2754 42 2700 2709 2712 119 2700 2709 2751 120 2694 2700 2709 121 2694 2754 2757 31 2694 2754 2760 32 2688 2694 2700 45 2688 2694 2754 36 2799 2796 2802 1 2796 2802 2808 3 2790 2796 2799 31 2790 2796 2802 32 2781 2790 2796 42 2772 2781 2790 149 2763 2760 2790 151 2763 2772 2781 152 2760 2763 2772 154 2760 2790 2781 45 2760 2790 2796 36 2841 2838 2844 1 2838 2844 2850 3 2826 2823 2829 1 2814 2808 2838 25 2814 2823 2826 22 2814 2823 2829 23 2808 2814 2823 46 2808 2838 2841 31 2808 2838 2844 32 2802 2808 2814 35 2802 2808 2838 36 2871 2868 2874 1 2868 2874 2880 3 2856 2850 2868 42 2850 2868 2871 31 2850 2868 2874 32 2844 2850 2856 45 2844 2850 2868 36 2916 2913 2919 1 2913 2919 2925 3 2907 2904 2910 37 2895 2904 2907 39 2895 2904 2910 39 2886 2880 2913 25 2886 2895 2904 40 2880 2886 2895 30 2880 2913 2916 31 2880 2913 2919 32 2874 2880 2886 35 2874 2880 2913 36 2964 2961 2967 1 2961 2967 2973 3 2937 2931 2949 58 2931 2925 2961 87 2925 2931 2937 91 2925 2931 2949 91 2925 2961 2964 31 2925 2961 2967 32 2919 2925 2931 93 2919 2925 2961 36 3000 2997 3003 1 2997 3003 3009 3 2991 2988 2994 37 2979 2973 2997 25 2979 2988 2991 39 2979 2988 2994 39 2973 2979 2988 95 2973 2997 3000 31 2973 2997 3003 32 2967 2973 2979 35 2967 2973 2997 36 3072 3069 3075 1 3069 3075 3081 3 3051 3048 3060 66 3042 3048 3051 66 3042 3048 3060 66 3033 3042 3048 71 3024 3033 3042 75 3015 3009 3069 76 3015 3024 3033 77 3009 3015 3024 80 3009 3069 3072 31 3009 3069 3075 32 3003 3009 3015 81 3003 3009 3069 36 3132 3129 3135 1 3129 3135 3141 3 3111 3117 3123 53 3105 3111 3117 53 3099 3096 3123 53 3099 3105 3111 53 3096 3099 3105 53 3096 3123 3117 53 3087 3081 3129 42 3087 3096 3099 55 3087 3096 3123 55 3081 3087 3096 56 3081 3129 3132 31 3081 3129 3135 32 3075 3081 3087 45 3075 3081 3129 36 3192 3189 3195 1 3189 3195 3201 3 3171 3177 3183 53 3165 3171 3177 53 3159 3156 3183 53 3159 3165 3171 53 3156 3159 3165 53 3156 3183 3177 53 3147 3141 3189 42 3147 3156 3159 55 3147 3156 3183 55 3141 3147 3156 56 3141 3189 3192 31 3141 3189 3195 32 3135 3141 3147 45 3135 3141 3189 36 3249 3246 3252 1 3246 3252 3258 3 3222 3216 3234 58 3207 3201 3246 25 3207 3216 3222 63 3207 3216 3234 63 3201 3207 3216 64 3201 3246 3249 31 3201 3246 3252 32 3195 3201 3207 35 3195 3201 3246 36 3279 3276 3282 1 3276 3282 3288 3 3264 3258 3276 42 3258 3276 3279 31 3258 3276 3282 32 3252 3258 3264 45 3252 3258 3276 36 3327 3324 3330 1 3324 3330 3336 3 3300 3294 3312 58 3294 3288 3324 87 3288 3294 3300 91 3288 3294 3312 91 3288 3324 3327 31 3288 3324 3330 32 3282 3288 3294 93 3282 3288 3324 36 3378 3375 3381 1 3375 3381 3387 3 3360 3366 3369 157 3354 3351 3369 158 3354 3360 3366 159 3351 3354 3360 135 3351 3369 3366 160 3342 3336 3375 42 3342 3351 3354 139 3342 3351 3369 162 3336 3342 3351 141 3336 3375 3378 31 3336 3375 3381 32 3330 3336 3342 45 3330 3336 3375 36 3399 3396 3402 1 3396 3402 3408 3 3387 3396 3399 31 3387 3396 3402 32 3381 3387 3396 36 3471 3468 3474 1 3468 3474 3480 3 3450 3447 3459 66 3441 3447 3450 66 3441 3447 3459 66 3432 3441 3447 71 3423 3432 3441 75 3414 3408 3468 76 3414 3423 3432 77 3408 3414 3423 80 3408 3468 3471 31 3408 3468 3474 32 3402 3408 3414 81 3402 3408 3468 36 3534 3531 3537 1 3531 3537 3543 3 3513 3510 3519 48 3510 3519 3525 51 3504 3510 3513 48 3504 3510 3519 52 3498 3495 3525 53 3498 3504 3510 51 3495 3498 3504 53 3495 3525 3519 53 3486 3480 3531 42 3486 3495 3498 55 3486 3495 3525 55 3480 3486 3495 56 3480 3531 3534 31 3480 3531 3537 32 3474 3480 3486 45 3474 3480 3531 36 3594 3591 3597 1 3591 3597 3603 3 3573 3579 3585 53 3567 3573 3579 53 3561 3558 3585 53 3561 3567 3573 53 3558 3561 3567 53 3558 3585 3579 53 3549 3543 3591 42 3549 3558 3561 55 3549 3558 3585 55 3543 3549 3558 56 3543 3591 3594 31 3543 3591 3597 32 3537 3543 3549 45 3537 3543 3591 36 3666 3663 3669 1 3663 3669 3675 3 3645 3642 3654 66 3636 3642 3645 66 3636 3642 3654 66 3627 3636 3642 71 3618 3627 3636 75 3609 3603 3663 76 3609 3618 3627 77 3603 3609 3618 80 3603 3663 3666 31 3603 3663 3669 32 3597 3603 3609 81 3597 3603 3663 36 3699 3696 3702 1 3696 3702 3708 3 3681 3675 3696 25 3675 3681 3690 128 3675 3696 3699 31 3675 3696 3702 32 3669 3675 3681 35 3669 3675 3696 36 3729 3726 3732 1 3726 3732 3735 147 3726 3732 3762 3 3714 3708 3726 25 3708 3714 3723 83 3708 3726 3729 31 3708 3726 3732 32 3702 3708 3714 35 3702 3708 3726 36 3771 3768 3774 1 3768 3774 3780 3 3762 3768 3771 31 3762 3768 3774 32 3753 3762 3768 42 3744 3753 3762 149 3735 3732 3762 151 3735 3744 3753 152 3732 3735 3744 154 3732 3762 3753 45 3732 3762 3768 36 3828 3825 3831 1 3825 3831 3837 163 3792 3786 3804 63 3786 3780 3825 87 3786 3804 3813 124 3780 3786 3792 91 3780 3786 3804 125 3780 3825 3828 31 3780 3825 3831 32 3774 3780 3786 93 3774 3780 3825 36 3861 3858 3864 164 3843 3837 3858 7 3837 3843 3852 167 3837 3858 3861 168 3837 3858 3864 168 3831 3837 3843 171 3831 3837 3858 172 %FLAG DIHEDRALS_INC_HYDROGEN %FORMAT(10I8) 33 30 36 39 1 33 30 -36 39 2 30 36 42 45 3 27 2619 2610 2613 15 27 2619 2610 2616 15 24 18 12 30 16 24 18 27 2619 15 21 18 12 30 16 21 18 27 2619 15 15 12 18 21 16 15 12 18 24 16 15 12 18 27 16 15 12 30 33 3 15 12 30 36 3 12 30 36 39 2 9 0 12 15 16 9 0 12 18 16 9 0 12 30 16 6 0 12 15 16 6 0 12 18 16 6 0 12 30 16 3 0 12 15 16 3 0 12 18 16 3 0 12 30 16 0 12 18 21 16 0 12 18 24 16 84 81 87 90 1 84 81 -87 90 2 81 87 93 96 3 69 66 72 75 1 69 66 -72 75 2 69 66 72 78 1 69 66 -72 78 2 63 57 66 69 27 63 57 -66 69 3 63 57 -66 69 28 63 57 66 72 3 60 57 66 69 27 60 57 -66 69 3 60 57 -66 69 28 60 57 66 72 3 57 66 72 75 2 57 66 72 78 2 54 48 42 81 16 54 48 57 60 33 54 48 57 63 33 54 48 57 66 16 51 48 42 81 16 51 48 57 60 33 51 48 57 63 33 51 48 57 66 16 45 42 48 51 16 45 42 48 54 16 45 42 48 57 16 45 42 81 84 4 45 42 -81 84 3 45 42 -81 84 38 45 42 81 87 3 42 48 57 60 39 42 48 57 63 39 42 81 87 90 2 39 36 42 45 3 39 36 42 48 3 39 36 42 81 3 36 42 48 51 16 36 42 48 54 16 129 126 132 135 1 129 126 -132 135 2 126 132 138 141 3 114 108 117 120 3 114 108 117 123 3 111 108 117 120 3 111 108 117 123 3 105 99 93 126 16 105 99 108 111 33 105 99 108 114 33 105 99 108 117 16 102 99 93 126 16 102 99 108 111 33 102 99 108 114 33 102 99 108 117 16 96 93 99 102 16 96 93 99 105 16 96 93 99 108 16 96 93 126 129 4 96 93 -126 129 3 96 93 -126 129 38 96 93 126 132 3 93 99 108 111 39 93 99 108 114 39 93 126 132 135 2 90 87 93 96 3 90 87 93 99 3 90 87 93 126 3 87 93 99 102 16 87 93 99 105 16 159 156 162 165 1 159 156 -162 165 2 156 162 168 171 3 153 144 138 156 16 150 144 138 156 16 147 144 138 156 16 141 138 144 147 16 141 138 144 150 16 141 138 144 153 16 141 138 156 159 4 141 138 -156 159 3 141 138 -156 159 38 141 138 156 162 3 138 156 162 165 2 135 132 138 141 3 135 132 138 144 3 135 132 138 156 3 132 138 144 147 16 132 138 144 150 16 132 138 144 153 16 201 198 204 207 1 201 198 -204 207 2 198 204 210 213 3 186 183 189 192 1 186 183 -189 192 2 186 183 189 195 1 186 183 -189 195 2 180 174 168 198 16 180 174 183 186 27 180 174 -183 186 3 180 174 -183 186 28 180 174 183 189 3 177 174 168 198 16 177 174 183 186 27 177 174 -183 186 3 177 174 -183 186 28 177 174 183 189 3 174 183 189 192 2 174 183 189 195 2 171 168 174 177 16 171 168 174 180 16 171 168 174 183 16 171 168 198 201 4 171 168 -198 201 3 171 168 -198 201 38 171 168 198 204 3 168 198 204 207 2 165 162 168 171 3 165 162 168 174 3 165 162 168 198 3 162 168 174 177 16 162 168 174 180 16 264 261 267 270 1 264 261 -267 270 2 261 267 273 276 3 261 267 273 279 3 252 249 255 258 65 246 243 240 249 4 246 243 -240 249 66 246 243 -240 249 5 246 243 -240 249 67 243 240 249 252 65 240 249 255 258 65 237 234 240 243 65 237 234 240 249 65 234 240 243 246 4 234 240 -243 246 66 234 240 -243 246 5 234 240 -243 246 67 234 240 249 252 65 231 228 225 255 65 231 228 234 237 65 231 228 234 240 65 228 225 255 258 65 225 228 234 237 65 225 255 249 252 65 222 216 210 261 16 222 216 225 228 3 222 216 225 255 3 219 216 210 261 16 219 216 225 228 3 219 216 225 255 3 216 225 228 231 65 216 225 255 258 65 213 210 216 219 16 213 210 216 222 16 213 210 216 225 16 213 210 261 264 4 213 210 -261 264 3 213 210 -261 264 38 213 210 261 267 3 210 261 267 270 2 207 204 210 213 3 207 204 210 216 3 207 204 210 261 3 204 210 216 219 16 204 210 216 222 16 285 282 288 291 1 285 282 -288 291 2 282 288 294 297 3 279 273 282 285 4 279 273 -282 285 3 279 273 -282 285 38 279 273 282 288 3 276 273 282 285 4 276 273 -282 285 3 276 273 -282 285 38 276 273 282 288 3 273 282 288 291 2 270 267 273 276 3 270 267 273 279 3 270 267 273 282 3 315 312 318 321 1 315 312 -318 321 2 312 318 324 327 3 309 300 294 312 16 306 300 294 312 16 303 300 294 312 16 297 294 300 303 16 297 294 300 306 16 297 294 300 309 16 297 294 312 315 4 297 294 -312 315 3 297 294 -312 315 38 297 294 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1149 1150 1151 1152 1153 1154 1155 1156 1150 1151 1154 1151 1152 1153 1154 1155 1156 1152 1153 1154 1155 1156 1153 1154 1154 1155 1156 1156 0 1158 1159 1160 1161 1162 1163 1178 1159 1160 1161 1160 1161 1162 1163 1164 1165 1166 1178 1179 1180 1161 1162 1163 1178 1162 1163 1164 1165 1166 1167 1176 1178 1179 1180 1181 1182 1163 1164 1165 1166 1178 1179 1180 1164 1165 1166 1167 1168 1169 1174 1176 1177 1178 1179 1180 1165 1166 1167 1176 1178 1166 1167 1176 1178 1167 1168 1169 1170 1171 1174 1175 1176 1177 1178 1168 1169 1170 1171 1172 1174 1176 1177 1169 1170 1171 1176 1170 1171 1172 1173 1174 1175 1176 1171 1172 1174 1172 1173 1174 1175 1176 1177 1173 1174 1175 1176 1174 1175 1176 1177 1176 1177 1177 0 1179 1180 1181 1182 1183 1184 1198 1180 1181 1182 1181 1182 1183 1184 1185 1186 1187 1198 1199 1200 1182 1183 1184 1198 1183 1184 1185 1186 1187 1188 1196 1198 1199 1200 1201 1202 1184 1185 1186 1187 1198 1199 1200 1185 1186 1187 1188 1189 1190 1194 1196 1197 1198 1199 1200 1186 1187 1188 1196 1198 1187 1188 1196 1198 1188 1189 1190 1191 1192 1194 1195 1196 1197 1198 1189 1190 1191 1192 1193 1194 1196 1197 1190 1191 1192 1196 1191 1192 1193 1194 1195 1196 1192 1193 1194 1193 1194 1195 1196 1197 1194 1195 1196 1195 1196 1197 1196 1197 1197 0 1199 1200 1201 1202 1203 1204 1222 1200 1201 1202 1201 1202 1203 1204 1205 1206 1207 1222 1223 1224 1202 1203 1204 1222 1203 1204 1205 1206 1207 1208 1209 1210 1222 1223 1224 1225 1226 1204 1205 1206 1207 1222 1223 1224 1205 1206 1207 1208 1209 1210 1211 1212 1213 1222 1223 1224 1206 1207 1208 1209 1210 1222 1207 1208 1209 1210 1222 1208 1209 1210 1211 1212 1213 1214 1215 1222 1209 1210 1211 1212 1213 1210 1211 1212 1213 1211 1212 1213 1214 1215 1216 1219 1212 1213 1214 1215 1213 1214 1215 1214 1215 1216 1217 1218 1219 1220 1221 1215 1216 1219 1216 1217 1218 1219 1220 1221 1217 1218 1219 1220 1221 1218 1219 1219 1220 1221 1221 0 1223 1224 1225 1226 1227 1228 1233 1224 1225 1226 1225 1226 1227 1228 1229 1230 1231 1233 1234 1235 1226 1227 1228 1233 1227 1228 1229 1230 1231 1232 1233 1234 1235 1236 1237 1228 1229 1230 1231 1233 1234 1235 1229 1230 1231 1232 1233 1234 1235 1230 1231 1232 1233 1231 1232 1233 1232 1233 0 1234 1235 1236 1237 1238 1239 1243 1235 1236 1237 1236 1237 1238 1239 1240 1241 1242 1243 1244 1245 1237 1238 1239 1243 1238 1239 1240 1241 1242 1243 1244 1245 1246 1255 1239 1240 1241 1242 1243 1244 1245 1240 1241 1242 1243 1244 1245 1241 1242 1243 1242 1243 1243 1244 1245 1246 1247 1248 1249 1252 1255 1256 1257 1245 1246 1255 1246 1247 1248 1249 1250 1251 1252 1253 1254 1255 1256 1257 1258 1259 1247 1248 1249 1250 1251 1252 1253 1254 1255 1256 1257 1248 1249 1250 1251 1252 1255 1249 1250 1251 1252 1255 1250 1251 1252 1253 1254 1255 1256 1257 1251 1252 1253 1254 1255 1252 1253 1254 1255 1253 1254 1255 1256 1257 1258 1259 1254 1255 1256 1257 1255 1256 1257 1256 1257 1258 1259 1260 1261 1257 1258 1259 1258 1259 1260 1261 1262 1263 1276 1259 1260 1261 1260 1261 1262 1263 1264 1265 1269 1276 1277 1278 1261 1262 1263 1276 1262 1263 1264 1265 1266 1267 1268 1269 1270 1271 1272 1276 1277 1278 1279 1280 1263 1264 1265 1269 1276 1277 1278 1264 1265 1266 1267 1268 1269 1270 1271 1272 1273 1274 1275 1276 1277 1278 1265 1266 1267 1268 1269 1270 1271 1272 1276 1266 1267 1268 1269 1270 1271 1272 1276 1267 1268 1269 1268 1269 1269 1270 1271 1272 1273 1274 1275 1276 1271 1272 1273 1274 1275 1272 1273 1274 1275 1273 1274 1275 1274 1275 1275 0 1277 1278 1279 1280 1281 1282 1287 1278 1279 1280 1279 1280 1281 1282 1283 1284 1285 1287 1288 1289 1280 1281 1282 1287 1281 1282 1283 1284 1285 1286 1287 1288 1289 1282 1283 1284 1285 1287 1288 1289 1283 1284 1285 1286 1287 1288 1289 1284 1285 1286 1287 1285 1286 1287 1286 1287 0 1288 1289 1289 0 1291 1292 1293 1292 1293 1293 0 1295 1296 1297 1296 1297 1297 0 1299 1300 1301 1300 1301 1301 0 1303 1304 1305 1304 1305 1305 0 1307 1308 1309 1308 1309 1309 0 1311 1312 1313 1312 1313 1313 0 1315 1316 1317 1316 1317 1317 0 1319 1320 1321 1320 1321 1321 0 1323 1324 1325 1324 1325 1325 0 1327 1328 1329 1328 1329 1329 0 1331 1332 1333 1332 1333 1333 0 1335 1336 1337 1336 1337 1337 0 1339 1340 1341 1340 1341 1341 0 1343 1344 1345 1344 1345 1345 0 1347 1348 1349 1348 1349 1349 0 1351 1352 1353 1352 1353 1353 0 1355 1356 1357 1356 1357 1357 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) N3 H H H CX HP 2C H1 H1 S C O N H XC H1 2C HC HC 2C HC HC C O N H H C O N H XC H1 2C HC HC 2C HC HC CO O2 O2 C O N H XC H1 CT HC HC HC C O N H XC H1 2C HC HC C O N H H C O N H XC H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H XC H1 H1 C O N H XC H1 CT HC HC HC C O N H XC H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H XC H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H XC H1 C8 HC HC C8 HC HC C8 H1 H1 N2 H CA N2 H H N2 H H C O N H XC H1 2C HC HC 2C HC HC CO O2 O2 C O N H XC H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H XC H1 2C H1 H1 S C O N H XC H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H XC H1 3C H1 CT HC HC HC OH HO C O N H XC H1 2C HC HC 2C HC HC C O N H H C O N H XC H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H XC H1 2C HC HC 2C HC HC C O N H H C O N H XC H1 3C HC CT HC HC HC CT HC HC HC C O N H XC H1 2C HC HC CO O2 O2 C O N H XC H1 2C HC HC 2C H1 H1 S CT H1 H1 H1 C O N H XC H1 2C HC HC 2C HC HC CO O2 O2 C O N H XC H1 CT HC HC HC C O N H XC H1 3C HC CT HC HC HC CT HC HC HC C O N H XC H1 H1 C O N H XC H1 2C HC HC 2C HC HC CO O2 O2 C O N H XC H1 3C H1 CT HC HC HC OH HO C O N H XC H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H XC H1 CT HC HC C* CW H4 NA H CN CA HA CA HA CA HA CA HA CB C O N H XC H1 2C H1 H1 S C O N H XC H1 2C HC HC CO O2 O2 C O N H XC H1 CT HC HC C* CW H4 NA H CN CA HA CA HA CA HA CA HA CB C O N H XC H1 H1 C O N H XC H1 C8 HC HC C8 HC HC C8 H1 H1 N2 H CA N2 H H N2 H H C O N H XC H1 3C H1 CT HC HC HC OH HO C O N H XC H1 3C HC CT HC HC HC 2C HC HC CT HC HC HC C O N H XC H1 C8 HC HC C8 HC HC C8 H1 H1 N2 H CA N2 H H N2 H H C O N H XC H1 2C H1 H1 OH HO C O N H XC H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H XC H1 C8 HC HC C8 HC HC C8 H1 H1 N2 H CA N2 H H N2 H H C O N H XC H1 2C HC HC 2C HC HC CO O2 O2 C O N H XC H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H XC H1 CT HC HC HC C O N H XC H1 2C HC HC CO O2 O2 C O N H XC H1 2C H1 H1 S C O N H XC H1 3C H1 CT HC HC HC OH HO C O N H XC H1 CT HC HC C* CW H4 NA H CN CA HA CA HA CA HA CA HA CB C O N H XC H1 CT HC HC CC NA H CR H5 NA H CW H4 C O N H XC H1 2C HC HC 2C H1 H1 S CT H1 H1 H1 C O N H XC H1 CT HC HC HC C O N H XC H1 2C HC HC 2C HC HC CO O2 O2 C O N H XC H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H XC H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H XC H1 H1 C O N H XC H1 2C H1 H1 S C O N H XC H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H XC H1 CT HC HC C* CW H4 NA H CN CA HA CA HA CA HA CA HA CB C O N CT H1 H1 CT HC HC CT HC HC XC H1 C O N H XC H1 2C HC HC C O N H H C O N H XC H1 CT HC HC HC C O N H XC H1 2C HC HC 2C HC HC CO O2 O2 C O N H XC H1 3C HC CT HC HC HC CT HC HC HC C O N H XC H1 2C HC HC CO O2 O2 C O N H XC H1 C8 HC HC C8 HC HC C8 H1 H1 N2 H CA N2 H H N2 H H C O N H XC H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H XC H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H XC H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H XC H1 CT HC HC HC C O N H XC H1 3C HC CT HC HC HC CT HC HC HC C O N H XC H1 CT HC HC CC NA H CR H5 NB CV H4 C O N H XC H1 H1 C O N H XC H1 C8 HC HC C8 HC HC C8 H1 H1 N2 H CA N2 H H N2 H H C O N H XC H1 CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H XC H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H XC H1 C8 HC HC C8 HC HC C8 H1 H1 N2 H CA N2 H H N2 H H C O N H XC H1 2C H1 H1 OH HO C O N H XC H1 2C H1 H1 S C O N CT H1 H1 CT HC HC CT HC HC XC H1 C O N H XC H1 3C HC CT HC HC HC 2C HC HC CT HC HC HC C O N H CX H1 2C H1 H1 OH HO C O2 O2 OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP OW HW HW EP %FLAG TREE_CHAIN_CLASSIFICATION %FORMAT(20a4) 3 E E E 3 E 3 E E S S 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 3 E E B E 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 B E B E B S E S E S E M E M E M 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 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 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 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 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 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 B 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 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 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 S 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 B E B E S B E B E B E S 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 B E B E S B E B E B E S E E M E M E M 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 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 3 E E 3 E E B E B B E E B 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 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 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 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 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 B S E S E B E B 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 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 3 E E 3 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 E M E M E M E 3 E E S 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 B E B E S B E B E B E S 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 E B E 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 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 E S E S 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 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 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 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 S E M E M E M E 3 E E E M E M 3 E E 3 E E B E E M E M E M E M E 3 E 3 E E E 3 E E 3 E E E M E BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA 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8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 7.90000000E-01 8.50000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 9.60000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01 %FLAG IPOL %FORMAT(1I8) 0 %FLAG CMAP_COUNT %FORMAT(2I8) 79 13 %FLAG CMAP_RESOLUTION %FORMAT(20I4) 24 24 24 24 24 24 24 24 24 24 24 24 24 %FLAG CMAP_PARAMETER_01 %COMMENT Gly CMAP %FORMAT(8F9.5) 0.82366 1.09817 1.13106 1.38658 2.11377 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599 9 597 599 601 608 610 3 608 610 612 629 631 11 629 631 633 653 655 9 653 655 657 668 670 8 668 670 672 687 689 11 687 689 691 697 699 2 697 699 701 709 711 7 709 711 713 719 721 11 719 721 723 733 735 4 733 735 737 757 759 11 757 759 761 775 777 11 775 777 779 792 794 11 792 794 796 802 804 2 802 804 806 817 819 8 817 819 821 839 841 10 839 841 843 858 860 11 858 860 862 865 867 1 865 867 869 875 877 11 875 877 879 895 897 11 895 897 899 919 921 11 919 921 931 933 935 12 933 935 937 947 949 6 947 949 951 957 959 2 957 959 961 972 974 8 972 974 976 988 990 5 988 990 992 1000 1002 7 1000 1002 1004 1024 1026 9 1024 1026 1028 1044 1046 11 1044 1046 1048 1064 1066 11 1064 1066 1068 1083 1085 11 1083 1085 1087 1093 1095 2 1093 1095 1097 1109 1111 5 1109 1111 1113 1126 1128 11 1126 1128 1130 1133 1135 1 1133 1135 1137 1157 1159 9 1157 1159 1161 1178 1180 11 1178 1180 1182 1198 1200 11 1198 1200 1202 1222 1224 9 1222 1224 1226 1233 1235 3 1233 1235 1237 1243 1245 11 1243 1245 1255 1257 1259 12 1257 1259 1261 1276 1278 5