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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 1.60000000E+01 %FLAG ATOM_TYPE_INDEX %FORMAT(10I8) 1 2 2 2 3 4 3 5 5 3 5 5 3 5 5 3 4 4 1 2 2 2 6 7 1 2 3 8 3 5 3 5 5 5 3 5 5 5 6 7 1 2 3 8 3 5 5 3 5 5 6 7 1 2 2 6 7 1 2 3 8 3 5 3 5 5 5 3 5 5 3 5 5 5 6 7 1 2 3 8 3 5 3 5 5 5 3 5 5 3 5 5 5 6 7 1 2 3 8 3 5 5 6 7 1 2 2 6 7 1 2 3 8 3 5 5 3 5 5 3 5 5 3 4 4 1 2 2 2 6 7 1 2 3 8 3 5 5 3 5 5 3 5 5 3 4 4 1 2 2 2 6 7 1 2 3 8 3 5 5 3 5 3 5 5 5 3 5 5 5 6 7 1 2 3 8 3 5 5 6 7 7 6 7 1 2 3 8 3 5 5 3 5 3 5 5 5 3 5 5 5 6 7 1 2 3 8 3 8 8 9 10 6 7 1 2 3 8 3 5 5 6 7 1 2 2 6 7 1 2 3 8 3 5 3 5 5 5 3 5 5 5 6 7 1 2 3 8 3 5 5 3 5 5 6 7 1 2 2 6 7 1 2 3 8 3 8 8 9 10 6 7 1 2 3 8 3 5 5 3 5 5 3 5 5 3 4 4 1 2 2 2 6 7 1 2 3 8 3 8 8 11 2 6 7 1 2 3 8 8 6 7 1 2 3 8 3 8 8 9 10 6 7 1 2 3 8 3 5 5 3 5 5 3 5 5 3 4 4 1 2 2 2 6 7 1 2 3 8 3 5 5 6 7 7 6 7 1 2 3 8 3 5 5 6 7 1 2 2 6 7 1 2 3 8 3 5 3 5 5 5 3 5 5 3 5 5 5 6 7 1 2 3 8 3 5 5 3 5 5 3 5 5 3 4 4 1 2 2 2 6 7 1 2 3 8 3 5 5 6 1 6 12 1 2 6 13 6 7 1 2 3 8 3 5 3 5 5 5 3 5 5 5 6 7 7 %FLAG NUMBER_EXCLUDED_ATOMS %FORMAT(10I8) 12 6 5 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 13 7 11 6 5 8 4 3 4 3 2 1 1 7 3 10 4 16 7 15 9 8 3 2 1 7 5 4 3 2 1 1 7 3 10 4 16 7 15 9 8 3 2 1 7 5 4 3 2 1 1 7 3 10 4 12 7 10 5 4 5 3 2 1 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 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 10 4 12 7 8 5 4 3 1 1 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 10 4 11 7 7 4 3 2 1 7 3 10 4 12 7 10 5 4 5 3 2 1 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 13 7 11 6 5 8 4 3 4 3 2 1 1 7 3 10 4 11 7 7 4 3 2 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 11 7 7 4 3 2 1 7 3 7 4 7 4 3 7 3 10 4 11 7 7 4 3 2 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 12 7 8 5 4 3 1 1 7 3 10 4 12 7 10 5 4 5 3 2 1 1 7 3 10 4 16 7 15 9 8 3 2 1 7 5 4 3 2 1 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 12 7 11 5 4 8 6 5 3 3 2 1 1 7 3 10 4 14 7 12 9 8 3 2 1 4 2 1 1 2 1 1 %FLAG NONBONDED_PARM_INDEX %FORMAT(10I8) 1 2 4 7 11 16 22 29 37 46 56 67 79 2 3 5 8 12 17 23 30 38 47 57 68 80 4 5 6 9 13 18 24 31 39 48 58 69 81 7 8 9 10 14 19 25 32 40 49 59 70 82 11 12 13 14 15 20 26 33 41 50 60 71 83 16 17 18 19 20 21 27 34 42 51 61 72 84 22 23 24 25 26 27 28 35 43 52 62 73 85 29 30 31 32 33 34 35 36 44 53 63 74 86 37 38 39 40 41 42 43 44 45 54 64 75 87 46 47 48 49 50 51 52 53 54 55 65 76 88 56 57 58 59 60 61 62 63 64 65 66 77 89 67 68 69 70 71 72 73 74 75 76 77 78 90 79 80 81 82 83 84 85 86 87 88 89 90 91 %FLAG RESIDUE_LABEL %FORMAT(20a4) NLYSVAL GLN ILE ILE ASN LYS LYS LEU ASP LEU SER ASN VAL GLN SER LYS CYS GLY SER LYS ASP ASN ILE LYS HIE CVAL %FLAG RESIDUE_POINTER %FORMAT(10I8) 1 25 41 58 77 96 110 132 154 173 185 204 215 229 245 262 273 295 306 313 324 346 358 372 391 413 430 %FLAG BOND_FORCE_CONSTANT %FORMAT(5E16.8) 5.70000000E+02 4.90000000E+02 4.34000000E+02 3.40000000E+02 3.67000000E+02 3.40000000E+02 3.10000000E+02 3.40000000E+02 3.10000000E+02 3.17000000E+02 3.67000000E+02 3.40000000E+02 3.40000000E+02 3.10000000E+02 3.40000000E+02 3.10000000E+02 4.34000000E+02 3.37000000E+02 3.40000000E+02 3.17000000E+02 3.10000000E+02 3.10000000E+02 3.10000000E+02 3.10000000E+02 6.56000000E+02 3.17000000E+02 5.53000000E+02 3.40000000E+02 3.20000000E+02 2.74000000E+02 2.37000000E+02 3.67000000E+02 4.34000000E+02 4.27000000E+02 3.67000000E+02 4.77000000E+02 4.88000000E+02 4.10000000E+02 5.18000000E+02 3.17000000E+02 3.10000000E+02 6.56000000E+02 %FLAG BOND_EQUIL_VALUE %FORMAT(5E16.8) 1.22900000E+00 1.33500000E+00 1.01000000E+00 1.09000000E+00 1.47100000E+00 1.09000000E+00 1.52600000E+00 1.09000000E+00 1.52600000E+00 1.52200000E+00 1.47100000E+00 1.09000000E+00 1.09000000E+00 1.52600000E+00 1.09000000E+00 1.52600000E+00 1.01000000E+00 1.44900000E+00 1.09000000E+00 1.52200000E+00 1.52600000E+00 1.52600000E+00 1.52600000E+00 1.52600000E+00 1.25000000E+00 1.52200000E+00 9.60000000E-01 1.09000000E+00 1.41000000E+00 1.33600000E+00 1.81000000E+00 1.08000000E+00 1.01000000E+00 1.38100000E+00 1.08000000E+00 1.34300000E+00 1.33500000E+00 1.39400000E+00 1.37100000E+00 1.50400000E+00 1.52600000E+00 1.25000000E+00 %FLAG ANGLE_FORCE_CONSTANT %FORMAT(5E16.8) 8.00000000E+01 5.00000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 8.00000000E+01 4.00000000E+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 8.00000000E+01 3.50000000E+01 4.00000000E+01 5.00000000E+01 6.30000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 4.00000000E+01 5.00000000E+01 5.00000000E+01 8.00000000E+01 6.30000000E+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 4.00000000E+01 8.00000000E+01 5.00000000E+01 5.00000000E+01 4.00000000E+01 5.00000000E+01 5.00000000E+01 4.00000000E+01 4.00000000E+01 6.30000000E+01 5.00000000E+01 8.00000000E+01 4.00000000E+01 8.00000000E+01 5.00000000E+01 7.00000000E+01 6.30000000E+01 5.00000000E+01 3.50000000E+01 5.50000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 4.30000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 6.30000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 6.30000000E+01 8.00000000E+01 8.00000000E+01 7.00000000E+01 %FLAG ANGLE_EQUIL_VALUE %FORMAT(5E16.8) 2.14501057E+00 2.09439600E+00 2.12755727E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.94080696E+00 1.91113635E+00 1.93906163E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 2.10137732E+00 2.03505478E+00 1.91113635E+00 1.91113635E+00 1.94080696E+00 1.94080696E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.93906163E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 2.06018753E+00 1.91113635E+00 1.91462701E+00 1.92160833E+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 1.91462701E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.93906163E+00 1.91113635E+00 1.91462701E+00 1.91113635E+00 2.19911580E+00 1.91113635E+00 2.04203610E+00 1.93906163E+00 1.91113635E+00 1.91113635E+00 1.89368305E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.67551680E+00 1.89542838E+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 2.04203610E+00 2.09439600E+00 2.09439600E+00 1.91113635E+00 1.93906163E+00 2.09439600E+00 2.09439600E+00 1.91113635E+00 1.91113635E+00 1.97396823E+00 1.91462701E+00 2.19911580E+00 2.04203610E+00 %FLAG DIHEDRAL_FORCE_CONSTANT %FORMAT(5E16.8) 2.00000000E+00 2.50000000E+00 0.00000000E+00 1.80000000E+00 8.00000000E-01 0.00000000E+00 0.00000000E+00 2.70000000E-01 4.20000000E-01 1.55555556E-01 1.50000000E-01 1.60000000E-01 2.00000000E-01 2.00000000E-01 4.00000000E-01 2.00000000E-01 2.50000000E-01 1.80000000E-01 4.06000000E-01 2.89000000E-01 1.48000000E-01 1.12000000E-01 8.00000000E-01 8.00000000E-02 3.37000000E-01 2.16000000E-01 1.00000000E-03 4.50000000E-01 1.58000000E+00 5.50000000E-01 4.21000000E-01 3.93000000E-01 1.44000000E-01 1.45000000E-01 6.09000000E-01 8.45000000E-01 8.50000000E-02 4.20000000E-02 1.96000000E-01 8.30000000E-02 4.12000000E-01 1.38000000E-01 1.00000000E-01 1.84000000E-01 7.80000000E-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 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 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 4.24000000E-01 4.59000000E-01 5.80000000E-02 1.54000000E-01 7.69000000E-01 0.00000000E+00 3.10000000E-02 2.15400000E+00 6.47000000E-01 8.90000000E-02 6.61000000E-01 2.18000000E-01 4.01000000E-01 1.29000000E-01 1.66666667E-01 2.50000000E-01 2.11000000E-01 4.44000000E-01 2.67000000E-01 7.00000000E-03 6.66000000E-01 2.46000000E-01 1.60000000E-01 2.69000000E-01 3.37000000E-01 2.51000000E-01 7.50000000E-02 2.50000000E-01 9.20000000E-02 6.12000000E-01 2.52000000E-01 3.00000000E-02 1.54000000E-01 4.86000000E-01 3.30000000E-02 1.50000000E+00 2.32500000E+00 2.40000000E+00 5.37500000E+00 1.43000000E-01 2.44000000E-01 2.19000000E-01 2.50000000E-02 5.00000000E+00 6.90000000E-01 2.04000000E-01 7.40000000E-01 4.70000000E-02 3.06000000E-01 2.21000000E-01 1.05000000E+01 1.10000000E+00 1.00000000E+00 %FLAG DIHEDRAL_PERIODICITY %FORMAT(5E16.8) 1.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 3.00000000E+00 3.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 4.00000000E+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 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 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 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+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 3.00000000E+00 1.00000000E+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 3.00000000E+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 2.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 2.00000000E+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 %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 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 3.14159400E+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 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 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 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 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 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 3.14159400E+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 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 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 3.14159400E+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 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 %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 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 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 %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 8.96776989E+04 1.07193646E+02 9.71708117E+04 1.41077189E+03 7.51607703E+03 8.82619071E+05 2.27577561E+03 9.24822270E+05 2.01619733E+04 8.61541883E+04 8.19971662E+05 6.06829342E+05 1.02595236E+03 6.47841731E+05 1.12780457E+04 5.44261042E+04 5.74393458E+05 3.79876399E+05 6.20665997E+04 5.94667300E+01 6.78771368E+04 8.79040886E+02 4.98586848E+03 6.01816484E+04 3.69471530E+04 3.25969625E+03 7.44975864E+05 1.40467023E+03 7.91544157E+05 1.45985502E+04 6.82786631E+04 7.01803794E+05 4.71003287E+05 4.66922514E+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 2.01562190E+06 5.97860700E+03 2.09861767E+06 4.93469320E+04 2.02461849E+05 1.86068943E+06 1.32911052E+06 1.42791446E+05 1.61587928E+06 0.00000000E+00 4.19430400E+06 5.46147253E+04 4.90239937E+01 5.98885646E+04 7.50063100E+02 4.33325458E+03 5.30987710E+04 3.23283631E+04 2.82099197E+03 4.09427581E+04 0.00000000E+00 1.26338489E+05 2.43828624E+03 6.58473870E+04 6.63368273E+01 7.18621074E+04 9.55000044E+02 5.34045360E+03 6.37148278E+04 3.93690817E+04 3.50301067E+03 4.96707306E+04 0.00000000E+00 1.50848032E+05 3.03448006E+03 3.76169105E+03 %FLAG LENNARD_JONES_BCOEF %FORMAT(5E16.8) 8.01323529E+02 2.09604198E+01 9.37598976E-02 7.36907417E+02 2.06278363E+01 6.75612247E+02 6.45756063E+01 7.57919667E-01 6.13981767E+01 3.56012899E+00 1.36131731E+02 2.59456373E+00 1.26919150E+02 9.41257003E+00 2.17257828E+01 6.53361429E+02 1.82891803E+01 5.99015525E+02 5.44372326E+01 1.12529845E+02 5.31102864E+02 6.77220874E+02 1.53505284E+01 6.26720080E+02 5.08951803E+01 1.11805549E+02 5.55666448E+02 5.64885984E+02 1.13252061E+02 1.93248820E+00 1.06076943E+02 7.42992380E+00 1.76949863E+01 9.40505980E+01 9.21192136E+01 1.43076527E+01 7.50714425E+02 1.79702257E+01 6.93079947E+02 5.79323581E+01 1.25287818E+02 6.14502845E+02 6.29300710E+02 1.03606917E+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 1.28923404E+03 3.87070358E+01 1.17824605E+03 1.11203892E+02 2.25248294E+02 1.04466382E+03 1.10369829E+03 1.89165096E+02 1.21753341E+03 0.00000000E+00 2.04800000E+03 1.05031585E+02 1.73473071E+00 9.85097219E+01 6.78541827E+00 1.63092814E+01 8.73413012E+01 8.51921330E+01 1.31591746E+01 9.59185913E+01 0.00000000E+00 1.75916126E+02 1.20953369E+01 1.15327881E+02 2.01792524E+00 1.07908863E+02 7.65648470E+00 1.81057616E+01 9.56748258E+01 9.40124296E+01 1.46638650E+01 1.05648788E+02 0.00000000E+00 1.92224012E+02 1.34932874E+01 1.50233639E+01 %FLAG BONDS_INC_HYDROGEN %FORMAT(10I8) 54 57 3 54 60 3 54 63 3 45 48 4 45 51 4 36 39 6 36 42 6 27 30 6 27 33 6 18 21 6 18 24 6 12 15 8 0 3 3 0 6 3 0 9 3 102 105 12 102 108 12 102 111 12 90 93 12 90 96 12 90 99 12 84 87 13 78 81 15 72 75 17 156 159 17 156 162 17 141 144 19 141 147 19 132 135 19 132 138 19 126 129 15 120 123 17 210 213 12 210 216 12 210 219 12 201 204 19 201 207 19 189 192 12 189 195 12 189 198 12 183 186 13 177 180 15 171 174 17 267 270 12 267 273 12 267 276 12 258 261 19 258 264 19 246 249 12 246 252 12 246 255 12 240 243 13 234 237 15 228 231 17 312 315 17 312 318 17 297 300 19 297 303 19 291 294 15 285 288 17 375 378 3 375 381 3 375 384 3 366 369 4 366 372 4 357 360 6 357 363 6 348 351 6 348 354 6 339 342 6 339 345 6 333 336 15 327 330 17 441 444 3 441 447 3 441 450 3 432 435 4 432 438 4 423 426 6 423 429 6 414 417 6 414 420 6 405 408 6 405 411 6 399 402 15 393 396 17 498 501 12 498 504 12 498 507 12 486 489 12 486 492 12 486 495 12 480 483 13 471 474 19 471 477 19 465 468 15 459 462 17 528 531 19 528 534 19 522 525 15 516 519 17 591 594 12 591 597 12 591 600 12 579 582 12 579 585 12 579 588 12 573 576 13 564 567 19 564 570 19 558 561 15 552 555 17 630 633 27 621 624 28 621 627 28 615 618 15 609 612 17 669 672 17 669 675 17 654 657 19 654 660 19 648 651 15 642 645 17 714 717 12 714 720 12 714 723 12 702 705 12 702 708 12 702 711 12 696 699 13 690 693 15 684 687 17 768 771 17 768 774 17 753 756 19 753 759 19 744 747 19 744 750 19 738 741 15 732 735 17 804 807 27 795 798 28 795 801 28 789 792 15 783 786 17 864 867 3 864 870 3 864 873 3 855 858 4 855 861 4 846 849 6 846 852 6 837 840 6 837 843 6 828 831 6 828 834 6 822 825 15 816 819 17 903 906 30 894 897 28 894 900 28 888 891 15 882 885 17 921 924 15 921 927 15 915 918 17 957 960 27 948 951 28 948 954 28 942 945 15 936 939 17 1017 1020 3 1017 1023 3 1017 1026 3 1008 1011 4 1008 1014 4 999 1002 6 999 1005 6 990 993 6 990 996 6 981 984 6 981 987 6 975 978 15 969 972 17 1047 1050 19 1047 1053 19 1041 1044 15 1035 1038 17 1098 1101 17 1098 1104 17 1083 1086 19 1083 1089 19 1077 1080 15 1071 1074 17 1152 1155 12 1152 1158 12 1152 1161 12 1143 1146 19 1143 1149 19 1131 1134 12 1131 1137 12 1131 1140 12 1125 1128 13 1119 1122 15 1113 1116 17 1218 1221 3 1218 1224 3 1218 1227 3 1209 1212 4 1209 1215 4 1200 1203 6 1200 1206 6 1191 1194 6 1191 1197 6 1182 1185 6 1182 1188 6 1176 1179 15 1170 1173 17 1275 1278 32 1269 1272 33 1263 1266 35 1248 1251 12 1248 1254 12 1242 1245 15 1236 1239 17 1317 1320 12 1317 1323 12 1317 1326 12 1305 1308 12 1305 1311 12 1305 1314 12 1299 1302 13 1293 1296 15 1287 1290 17 %FLAG BONDS_WITHOUT_HYDROGEN %FORMAT(10I8) 66 69 1 66 72 2 45 54 5 36 45 7 27 36 7 18 27 7 12 18 9 12 66 10 0 12 11 114 117 1 114 120 2 84 90 14 84 102 14 78 84 16 78 114 10 72 78 18 165 168 1 165 171 2 150 153 1 150 156 2 141 150 20 132 141 21 126 132 22 126 165 10 120 126 18 222 225 1 222 228 2 201 210 23 183 189 14 183 201 24 177 183 16 177 222 10 171 177 18 279 282 1 279 285 2 258 267 23 240 246 14 240 258 24 234 240 16 234 279 10 228 234 18 321 324 1 321 327 2 306 309 1 306 312 2 297 306 20 291 297 22 291 321 10 285 291 18 387 390 1 387 393 2 366 375 5 357 366 7 348 357 7 339 348 7 333 339 9 333 387 10 327 333 18 453 456 1 453 459 2 432 441 5 423 432 7 414 423 7 405 414 7 399 405 9 399 453 10 393 399 18 510 513 1 510 516 2 480 486 14 480 498 14 471 480 24 465 471 22 465 510 10 459 465 18 546 549 1 546 552 2 537 540 25 537 543 25 528 537 26 522 528 22 522 546 10 516 522 18 603 606 1 603 609 2 573 579 14 573 591 14 564 573 24 558 564 22 558 603 10 552 558 18 636 639 1 636 642 2 621 630 29 615 621 22 615 636 10 609 615 18 678 681 1 678 684 2 663 666 1 663 669 2 654 663 20 648 654 22 648 678 10 642 648 18 726 729 1 726 732 2 696 702 14 696 714 14 690 696 16 690 726 10 684 690 18 777 780 1 777 783 2 762 765 1 762 768 2 753 762 20 744 753 21 738 744 22 738 777 10 732 738 18 810 813 1 810 816 2 795 804 29 789 795 22 789 810 10 783 789 18 876 879 1 876 882 2 855 864 5 846 855 7 837 846 7 828 837 7 822 828 9 822 876 10 816 822 18 909 912 1 909 915 2 894 903 31 888 894 22 888 909 10 882 888 18 930 933 1 930 936 2 921 930 10 915 921 18 963 966 1 963 969 2 948 957 29 942 948 22 942 963 10 936 942 18 1029 1032 1 1029 1035 2 1008 1017 5 999 1008 7 990 999 7 981 990 7 975 981 9 975 1029 10 969 975 18 1065 1068 1 1065 1071 2 1056 1059 25 1056 1062 25 1047 1056 26 1041 1047 22 1041 1065 10 1035 1041 18 1107 1110 1 1107 1113 2 1092 1095 1 1092 1098 2 1083 1092 20 1077 1083 22 1077 1107 10 1071 1077 18 1164 1167 1 1164 1170 2 1143 1152 23 1125 1131 14 1125 1143 24 1119 1125 16 1119 1164 10 1113 1119 18 1230 1233 1 1230 1236 2 1209 1218 5 1200 1209 7 1191 1200 7 1182 1191 7 1176 1182 9 1176 1230 10 1170 1176 18 1281 1284 1 1281 1287 2 1269 1275 34 1263 1269 36 1260 1263 37 1257 1260 38 1257 1275 39 1248 1257 40 1242 1248 41 1242 1281 10 1236 1242 18 1329 1332 42 1329 1335 42 1299 1305 14 1299 1317 14 1293 1299 16 1293 1329 10 1287 1293 18 %FLAG ANGLES_INC_HYDROGEN %FORMAT(10I8) 66 72 75 2 60 54 63 4 57 54 60 4 57 54 63 4 51 45 54 5 48 45 51 6 48 45 54 5 45 54 57 7 45 54 60 7 45 54 63 7 42 36 45 8 39 36 42 9 39 36 45 8 36 45 48 10 36 45 51 10 33 27 36 8 30 27 33 9 30 27 36 8 27 36 39 8 27 36 42 8 24 18 27 8 21 18 24 9 21 18 27 8 18 27 30 8 18 27 33 8 15 12 18 14 15 12 66 15 12 18 21 16 12 18 24 16 9 0 12 20 6 0 9 4 6 0 12 20 3 0 6 4 3 0 9 4 3 0 12 20 0 12 15 21 114 120 123 2 108 102 111 24 105 102 108 24 105 102 111 24 96 90 99 24 93 90 96 24 93 90 99 24 87 84 90 26 87 84 102 26 84 90 93 28 84 90 96 28 84 90 99 28 84 102 105 28 84 102 108 28 84 102 111 28 81 78 84 29 81 78 114 30 78 84 87 31 75 72 78 33 72 78 81 34 165 171 174 2 159 156 162 37 150 156 159 2 150 156 162 2 147 141 150 38 144 141 147 39 144 141 150 38 138 132 141 42 135 132 138 39 135 132 141 42 132 141 144 42 132 141 147 42 129 126 132 45 129 126 165 30 126 132 135 46 126 132 138 46 123 120 126 33 120 126 129 34 222 228 231 2 216 210 219 24 213 210 216 24 213 210 219 24 207 201 210 49 204 201 207 39 204 201 210 49 201 210 213 50 201 210 216 50 201 210 219 50 195 189 198 24 192 189 195 24 192 189 198 24 186 183 189 26 186 183 201 52 183 189 192 28 183 189 195 28 183 189 198 28 183 201 204 53 183 201 207 53 180 177 183 29 180 177 222 30 177 183 186 31 174 171 177 33 171 177 180 34 279 285 288 2 273 267 276 24 270 267 273 24 270 267 276 24 264 258 267 49 261 258 264 39 261 258 267 49 258 267 270 50 258 267 273 50 258 267 276 50 252 246 255 24 249 246 252 24 249 246 255 24 243 240 246 26 243 240 258 52 240 246 249 28 240 246 252 28 240 246 255 28 240 258 261 53 240 258 264 53 237 234 240 29 237 234 279 30 234 240 243 31 231 228 234 33 228 234 237 34 321 327 330 2 315 312 318 37 306 312 315 2 306 312 318 2 303 297 306 38 300 297 303 39 300 297 306 38 294 291 297 45 294 291 321 30 291 297 300 46 291 297 303 46 288 285 291 33 285 291 294 34 387 393 396 2 381 375 384 4 378 375 381 4 378 375 384 4 372 366 375 5 369 366 372 6 369 366 375 5 366 375 378 7 366 375 381 7 366 375 384 7 363 357 366 8 360 357 363 9 360 357 366 8 357 366 369 10 357 366 372 10 354 348 357 8 351 348 354 9 351 348 357 8 348 357 360 8 348 357 363 8 345 339 348 8 342 339 345 9 342 339 348 8 339 348 351 8 339 348 354 8 336 333 339 57 336 333 387 30 333 339 342 16 333 339 345 16 330 327 333 33 327 333 336 34 453 459 462 2 447 441 450 4 444 441 447 4 444 441 450 4 438 432 441 5 435 432 438 6 435 432 441 5 432 441 444 7 432 441 447 7 432 441 450 7 429 423 432 8 426 423 429 9 426 423 432 8 423 432 435 10 423 432 438 10 420 414 423 8 417 414 420 9 417 414 423 8 414 423 426 8 414 423 429 8 411 405 414 8 408 405 411 9 408 405 414 8 405 414 417 8 405 414 420 8 402 399 405 57 402 399 453 30 399 405 408 16 399 405 411 16 396 393 399 33 393 399 402 34 510 516 519 2 504 498 507 24 501 498 504 24 501 498 507 24 492 486 495 24 489 486 492 24 489 486 495 24 483 480 486 26 483 480 498 26 480 486 489 28 480 486 492 28 480 486 495 28 480 498 501 28 480 498 504 28 480 498 507 28 477 471 480 53 474 471 477 39 474 471 480 53 471 480 483 52 468 465 471 45 468 465 510 30 465 471 474 46 465 471 477 46 462 459 465 33 459 465 468 34 546 552 555 2 534 528 537 61 531 528 534 39 531 528 537 61 525 522 528 45 525 522 546 30 522 528 531 46 522 528 534 46 519 516 522 33 516 522 525 34 603 609 612 2 597 591 600 24 594 591 597 24 594 591 600 24 585 579 588 24 582 579 585 24 582 579 588 24 576 573 579 26 576 573 591 26 573 579 582 28 573 579 585 28 573 579 588 28 573 591 594 28 573 591 597 28 573 591 600 28 570 564 573 53 567 564 570 39 567 564 573 53 564 573 576 52 561 558 564 45 561 558 603 30 558 564 567 46 558 564 570 46 555 552 558 33 552 558 561 34 636 642 645 2 627 621 630 64 624 621 627 65 624 621 630 64 621 630 633 66 618 615 621 45 618 615 636 30 615 621 624 67 615 621 627 67 612 609 615 33 609 615 618 34 678 684 687 2 672 669 675 37 663 669 672 2 663 669 675 2 660 654 663 38 657 654 660 39 657 654 663 38 651 648 654 45 651 648 678 30 648 654 657 46 648 654 660 46 645 642 648 33 642 648 651 34 726 732 735 2 720 714 723 24 717 714 720 24 717 714 723 24 708 702 711 24 705 702 708 24 705 702 711 24 699 696 702 26 699 696 714 26 696 702 705 28 696 702 708 28 696 702 711 28 696 714 717 28 696 714 720 28 696 714 723 28 693 690 696 29 693 690 726 30 690 696 699 31 687 684 690 33 684 690 693 34 777 783 786 2 771 768 774 37 762 768 771 2 762 768 774 2 759 753 762 38 756 753 759 39 756 753 762 38 750 744 753 42 747 744 750 39 747 744 753 42 744 753 756 42 744 753 759 42 741 738 744 45 741 738 777 30 738 744 747 46 738 744 750 46 735 732 738 33 732 738 741 34 810 816 819 2 801 795 804 64 798 795 801 65 798 795 804 64 795 804 807 66 792 789 795 45 792 789 810 30 789 795 798 67 789 795 801 67 786 783 789 33 783 789 792 34 876 882 885 2 870 864 873 4 867 864 870 4 867 864 873 4 861 855 864 5 858 855 861 6 858 855 864 5 855 864 867 7 855 864 870 7 855 864 873 7 852 846 855 8 849 846 852 9 849 846 855 8 846 855 858 10 846 855 861 10 843 837 846 8 840 837 843 9 840 837 846 8 837 846 849 8 837 846 852 8 834 828 837 8 831 828 834 9 831 828 837 8 828 837 840 8 828 837 843 8 825 822 828 57 825 822 876 30 822 828 831 16 822 828 834 16 819 816 822 33 816 822 825 34 909 915 918 2 900 894 903 69 897 894 900 65 897 894 903 69 894 903 906 70 891 888 894 45 891 888 909 30 888 894 897 67 888 894 900 67 885 882 888 33 882 888 891 34 930 936 939 2 927 921 930 30 924 921 927 72 924 921 930 30 918 915 921 33 915 921 924 34 915 921 927 34 963 969 972 2 954 948 957 64 951 948 954 65 951 948 957 64 948 957 960 66 945 942 948 45 945 942 963 30 942 948 951 67 942 948 954 67 939 936 942 33 936 942 945 34 1029 1035 1038 2 1023 1017 1026 4 1020 1017 1023 4 1020 1017 1026 4 1014 1008 1017 5 1011 1008 1014 6 1011 1008 1017 5 1008 1017 1020 7 1008 1017 1023 7 1008 1017 1026 7 1005 999 1008 8 1002 999 1005 9 1002 999 1008 8 999 1008 1011 10 999 1008 1014 10 996 990 999 8 993 990 996 9 993 990 999 8 990 999 1002 8 990 999 1005 8 987 981 990 8 984 981 987 9 984 981 990 8 981 990 993 8 981 990 996 8 978 975 981 57 978 975 1029 30 975 981 984 16 975 981 987 16 972 969 975 33 969 975 978 34 1065 1071 1074 2 1053 1047 1056 61 1050 1047 1053 39 1050 1047 1056 61 1044 1041 1047 45 1044 1041 1065 30 1041 1047 1050 46 1041 1047 1053 46 1038 1035 1041 33 1035 1041 1044 34 1107 1113 1116 2 1101 1098 1104 37 1092 1098 1101 2 1092 1098 1104 2 1089 1083 1092 38 1086 1083 1089 39 1086 1083 1092 38 1080 1077 1083 45 1080 1077 1107 30 1077 1083 1086 46 1077 1083 1089 46 1074 1071 1077 33 1071 1077 1080 34 1164 1170 1173 2 1158 1152 1161 24 1155 1152 1158 24 1155 1152 1161 24 1149 1143 1152 49 1146 1143 1149 39 1146 1143 1152 49 1143 1152 1155 50 1143 1152 1158 50 1143 1152 1161 50 1137 1131 1140 24 1134 1131 1137 24 1134 1131 1140 24 1128 1125 1131 26 1128 1125 1143 52 1125 1131 1134 28 1125 1131 1137 28 1125 1131 1140 28 1125 1143 1146 53 1125 1143 1149 53 1122 1119 1125 29 1122 1119 1164 30 1119 1125 1128 31 1116 1113 1119 33 1113 1119 1122 34 1230 1236 1239 2 1224 1218 1227 4 1221 1218 1224 4 1221 1218 1227 4 1215 1209 1218 5 1212 1209 1215 6 1212 1209 1218 5 1209 1218 1221 7 1209 1218 1224 7 1209 1218 1227 7 1206 1200 1209 8 1203 1200 1206 9 1203 1200 1209 8 1200 1209 1212 10 1200 1209 1215 10 1197 1191 1200 8 1194 1191 1197 9 1194 1191 1200 8 1191 1200 1203 8 1191 1200 1206 8 1188 1182 1191 8 1185 1182 1188 9 1185 1182 1191 8 1182 1191 1194 8 1182 1191 1197 8 1179 1176 1182 57 1179 1176 1230 30 1176 1182 1185 16 1176 1182 1188 16 1173 1170 1176 33 1170 1176 1179 34 1281 1287 1290 2 1272 1269 1275 73 1269 1275 1278 74 1266 1263 1269 75 1263 1269 1272 76 1260 1263 1266 79 1257 1275 1278 83 1254 1248 1257 84 1251 1248 1254 24 1251 1248 1257 84 1245 1242 1248 88 1245 1242 1281 30 1242 1248 1251 89 1242 1248 1254 89 1239 1236 1242 33 1236 1242 1245 34 1323 1317 1326 24 1320 1317 1323 24 1320 1317 1326 24 1311 1305 1314 24 1308 1305 1311 24 1308 1305 1314 24 1302 1299 1305 26 1302 1299 1317 26 1299 1305 1308 28 1299 1305 1311 28 1299 1305 1314 28 1299 1317 1320 28 1299 1317 1323 28 1299 1317 1326 28 1296 1293 1299 29 1296 1293 1329 30 1293 1299 1302 31 1290 1287 1293 33 1287 1293 1296 34 %FLAG ANGLES_WITHOUT_HYDROGEN %FORMAT(10I8) 69 66 72 1 66 72 78 3 36 45 54 11 27 36 45 12 18 12 66 13 18 27 36 12 12 18 27 17 12 66 69 18 12 66 72 19 0 12 18 22 0 12 66 23 117 114 120 1 114 120 126 3 90 84 102 25 84 78 114 27 78 84 90 32 78 84 102 32 78 114 117 18 78 114 120 19 72 78 84 35 72 78 114 36 168 165 171 1 165 171 177 3 153 150 156 1 141 150 153 40 141 150 156 41 132 126 165 43 132 141 150 44 126 132 141 47 126 165 168 18 126 165 171 19 120 126 132 48 120 126 165 36 225 222 228 1 222 228 234 3 189 183 201 51 183 177 222 27 183 201 210 54 177 183 189 32 177 183 201 55 177 222 225 18 177 222 228 19 171 177 183 35 171 177 222 36 282 279 285 1 279 285 291 3 246 240 258 51 240 234 279 27 240 258 267 54 234 240 246 32 234 240 258 55 234 279 282 18 234 279 285 19 228 234 240 35 228 234 279 36 324 321 327 1 321 327 333 3 309 306 312 1 297 291 321 43 297 306 309 40 297 306 312 41 291 297 306 56 291 321 324 18 291 321 327 19 285 291 297 48 285 291 321 36 390 387 393 1 387 393 399 3 357 366 375 11 348 357 366 12 339 333 387 13 339 348 357 12 333 339 348 17 333 387 390 18 333 387 393 19 327 333 339 58 327 333 387 36 456 453 459 1 453 459 465 3 423 432 441 11 414 423 432 12 405 399 453 13 405 414 423 12 399 405 414 17 399 453 456 18 399 453 459 19 393 399 405 58 393 399 453 36 513 510 516 1 510 516 522 3 486 480 498 25 471 465 510 43 471 480 486 51 471 480 498 51 465 471 480 59 465 510 513 18 465 510 516 19 459 465 471 48 459 465 510 36 549 546 552 1 546 552 558 3 540 537 543 60 528 522 546 43 528 537 540 62 528 537 543 62 522 528 537 63 522 546 549 18 522 546 552 19 516 522 528 48 516 522 546 36 606 603 609 1 603 609 615 3 579 573 591 25 564 558 603 43 564 573 579 51 564 573 591 51 558 564 573 59 558 603 606 18 558 603 609 19 552 558 564 48 552 558 603 36 639 636 642 1 636 642 648 3 621 615 636 43 615 621 630 68 615 636 639 18 615 636 642 19 609 615 621 48 609 615 636 36 681 678 684 1 678 684 690 3 666 663 669 1 654 648 678 43 654 663 666 40 654 663 669 41 648 654 663 56 648 678 681 18 648 678 684 19 642 648 654 48 642 648 678 36 729 726 732 1 726 732 738 3 702 696 714 25 696 690 726 27 690 696 702 32 690 696 714 32 690 726 729 18 690 726 732 19 684 690 696 35 684 690 726 36 780 777 783 1 777 783 789 3 765 762 768 1 753 762 765 40 753 762 768 41 744 738 777 43 744 753 762 44 738 744 753 47 738 777 780 18 738 777 783 19 732 738 744 48 732 738 777 36 813 810 816 1 810 816 822 3 795 789 810 43 789 795 804 68 789 810 813 18 789 810 816 19 783 789 795 48 783 789 810 36 879 876 882 1 876 882 888 3 846 855 864 11 837 846 855 12 828 822 876 13 828 837 846 12 822 828 837 17 822 876 879 18 822 876 882 19 816 822 828 58 816 822 876 36 912 909 915 1 909 915 921 3 894 888 909 43 888 894 903 71 888 909 912 18 888 909 915 19 882 888 894 48 882 888 909 36 933 930 936 1 930 936 942 3 921 930 933 18 921 930 936 19 915 921 930 36 966 963 969 1 963 969 975 3 948 942 963 43 942 948 957 68 942 963 966 18 942 963 969 19 936 942 948 48 936 942 963 36 1032 1029 1035 1 1029 1035 1041 3 999 1008 1017 11 990 999 1008 12 981 975 1029 13 981 990 999 12 975 981 990 17 975 1029 1032 18 975 1029 1035 19 969 975 981 58 969 975 1029 36 1068 1065 1071 1 1065 1071 1077 3 1059 1056 1062 60 1047 1041 1065 43 1047 1056 1059 62 1047 1056 1062 62 1041 1047 1056 63 1041 1065 1068 18 1041 1065 1071 19 1035 1041 1047 48 1035 1041 1065 36 1110 1107 1113 1 1107 1113 1119 3 1095 1092 1098 1 1083 1077 1107 43 1083 1092 1095 40 1083 1092 1098 41 1077 1083 1092 56 1077 1107 1110 18 1077 1107 1113 19 1071 1077 1083 48 1071 1077 1107 36 1167 1164 1170 1 1164 1170 1176 3 1131 1125 1143 51 1125 1119 1164 27 1125 1143 1152 54 1119 1125 1131 32 1119 1125 1143 55 1119 1164 1167 18 1119 1164 1170 19 1113 1119 1125 35 1113 1119 1164 36 1233 1230 1236 1 1230 1236 1242 3 1200 1209 1218 11 1191 1200 1209 12 1182 1176 1230 13 1182 1191 1200 12 1176 1182 1191 17 1176 1230 1233 18 1176 1230 1236 19 1170 1176 1182 58 1170 1176 1230 36 1284 1281 1287 1 1281 1287 1293 3 1263 1269 1275 77 1260 1257 1275 78 1260 1263 1269 80 1257 1260 1263 81 1257 1275 1269 82 1248 1242 1281 85 1248 1257 1260 86 1248 1257 1275 87 1242 1248 1257 90 1242 1281 1284 18 1242 1281 1287 19 1236 1242 1248 91 1236 1242 1281 36 1332 1329 1335 92 1305 1299 1317 25 1299 1293 1329 27 1293 1299 1305 32 1293 1299 1317 32 1293 1329 1332 93 1293 1329 1335 93 1287 1293 1299 35 1287 1293 1329 36 %FLAG DIHEDRALS_INC_HYDROGEN %FORMAT(10I8) 69 66 72 75 1 69 66 -72 75 2 66 72 78 81 3 51 45 54 57 10 51 45 54 60 10 51 45 54 63 10 48 45 54 57 10 48 45 54 60 10 48 45 54 63 10 42 36 45 48 10 42 36 45 51 10 42 36 45 54 10 39 36 45 48 10 39 36 45 51 10 39 36 45 54 10 36 45 54 57 10 36 45 54 60 10 36 45 54 63 10 33 27 36 39 11 33 27 36 42 11 33 27 36 45 12 30 27 36 39 11 30 27 36 42 11 30 27 36 45 12 27 36 45 48 10 27 36 45 51 10 24 18 12 66 10 24 18 27 30 11 24 18 27 33 11 24 18 27 36 12 21 18 12 66 10 21 18 27 30 11 21 18 27 33 11 21 18 27 36 12 18 27 36 39 12 18 27 36 42 12 15 12 18 21 10 15 12 18 24 10 15 12 18 27 10 15 12 66 69 3 15 12 66 72 3 12 18 27 30 12 12 18 27 33 12 12 66 72 75 2 9 0 12 15 10 9 0 12 18 10 9 0 12 66 10 6 0 12 15 10 6 0 12 18 10 6 0 12 66 10 3 0 12 15 10 3 0 12 18 10 3 0 12 66 10 0 12 18 21 10 0 12 18 24 10 117 114 120 123 1 117 114 -120 123 2 114 120 126 129 3 99 90 84 102 12 96 90 84 102 12 93 90 84 102 12 90 84 102 105 12 90 84 102 108 12 90 84 102 111 12 87 84 78 114 10 87 84 90 93 11 87 84 90 96 11 87 84 90 99 11 87 84 102 105 11 87 84 102 108 11 87 84 102 111 11 81 78 84 87 10 81 78 84 90 10 81 78 84 102 10 81 78 114 117 23 81 78 -114 117 3 81 78 -114 117 24 81 78 114 120 3 78 84 90 93 12 78 84 90 96 12 78 84 90 99 12 78 84 102 105 12 78 84 102 108 12 78 84 102 111 12 78 114 120 123 2 75 72 78 81 3 75 72 78 84 3 75 72 78 114 3 72 78 84 87 10 168 165 171 174 1 168 165 -171 174 2 165 171 177 180 3 153 150 156 159 1 153 150 -156 159 2 153 150 156 162 1 153 150 -156 162 2 147 141 150 153 23 147 141 -150 153 3 147 141 -150 153 24 147 141 150 156 3 144 141 150 153 23 144 141 -150 153 3 144 141 -150 153 24 144 141 150 156 3 141 150 156 159 2 141 150 156 162 2 138 132 126 165 10 138 132 141 144 11 138 132 141 147 11 138 132 141 150 10 135 132 126 165 10 135 132 141 144 11 135 132 141 147 11 135 132 141 150 10 129 126 132 135 10 129 126 132 138 10 129 126 132 141 10 129 126 165 168 23 129 126 -165 168 3 129 126 -165 168 24 129 126 165 171 3 126 132 141 144 12 126 132 141 147 12 126 165 171 174 2 123 120 126 129 3 123 120 126 132 3 123 120 126 165 3 120 126 132 135 10 120 126 132 138 10 225 222 228 231 1 225 222 -228 231 2 222 228 234 237 3 207 201 210 213 11 207 201 210 216 11 207 201 210 219 11 204 201 210 213 11 204 201 210 216 11 204 201 210 219 11 198 189 183 201 12 195 189 183 201 12 192 189 183 201 12 189 183 201 204 12 189 183 201 207 12 186 183 177 222 10 186 183 189 192 11 186 183 189 195 11 186 183 189 198 11 186 183 201 204 11 186 183 201 207 11 186 183 201 210 12 183 201 210 213 12 183 201 210 216 12 183 201 210 219 12 180 177 183 186 10 180 177 183 189 10 180 177 183 201 10 180 177 222 225 23 180 177 -222 225 3 180 177 -222 225 24 180 177 222 228 3 177 183 189 192 12 177 183 189 195 12 177 183 189 198 12 177 183 201 204 12 177 183 201 207 12 177 222 228 231 2 174 171 177 180 3 174 171 177 183 3 174 171 177 222 3 171 177 183 186 10 282 279 285 288 1 282 279 -285 288 2 279 285 291 294 3 264 258 267 270 11 264 258 267 273 11 264 258 267 276 11 261 258 267 270 11 261 258 267 273 11 261 258 267 276 11 255 246 240 258 12 252 246 240 258 12 249 246 240 258 12 246 240 258 261 12 246 240 258 264 12 243 240 234 279 10 243 240 246 249 11 243 240 246 252 11 243 240 246 255 11 243 240 258 261 11 243 240 258 264 11 243 240 258 267 12 240 258 267 270 12 240 258 267 273 12 240 258 267 276 12 237 234 240 243 10 237 234 240 246 10 237 234 240 258 10 237 234 279 282 23 237 234 -279 282 3 237 234 -279 282 24 237 234 279 285 3 234 240 246 249 12 234 240 246 252 12 234 240 246 255 12 234 240 258 261 12 234 240 258 264 12 234 279 285 288 2 231 228 234 237 3 231 228 234 240 3 231 228 234 279 3 228 234 240 243 10 324 321 327 330 1 324 321 -327 330 2 321 327 333 336 3 309 306 312 315 1 309 306 -312 315 2 309 306 312 318 1 309 306 -312 318 2 303 297 291 321 10 303 297 306 309 23 303 297 -306 309 3 303 297 -306 309 24 303 297 306 312 3 300 297 291 321 10 300 297 306 309 23 300 297 -306 309 3 300 297 -306 309 24 300 297 306 312 3 297 306 312 315 2 297 306 312 318 2 294 291 297 300 10 294 291 297 303 10 294 291 297 306 10 294 291 321 324 23 294 291 -321 324 3 294 291 -321 324 24 294 291 321 327 3 291 321 327 330 2 288 285 291 294 3 288 285 291 297 3 288 285 291 321 3 285 291 297 300 10 285 291 297 303 10 390 387 393 396 1 390 387 -393 396 2 387 393 399 402 3 372 366 375 378 10 372 366 375 381 10 372 366 375 384 10 369 366 375 378 10 369 366 375 381 10 369 366 375 384 10 363 357 366 369 10 363 357 366 372 10 363 357 366 375 10 360 357 366 369 10 360 357 366 372 10 360 357 366 375 10 357 366 375 378 10 357 366 375 381 10 357 366 375 384 10 354 348 357 360 11 354 348 357 363 11 354 348 357 366 12 351 348 357 360 11 351 348 357 363 11 351 348 357 366 12 348 357 366 369 10 348 357 366 372 10 345 339 333 387 10 345 339 348 351 11 345 339 348 354 11 345 339 348 357 12 342 339 333 387 10 342 339 348 351 11 342 339 348 354 11 342 339 348 357 12 339 348 357 360 12 339 348 357 363 12 336 333 339 342 10 336 333 339 345 10 336 333 339 348 10 336 333 387 390 23 336 333 -387 390 3 336 333 -387 390 24 336 333 387 393 3 333 339 348 351 12 333 339 348 354 12 333 387 393 396 2 330 327 333 336 3 330 327 333 339 3 330 327 333 387 3 327 333 339 342 10 327 333 339 345 10 456 453 459 462 1 456 453 -459 462 2 453 459 465 468 3 438 432 441 444 10 438 432 441 447 10 438 432 441 450 10 435 432 441 444 10 435 432 441 447 10 435 432 441 450 10 429 423 432 435 10 429 423 432 438 10 429 423 432 441 10 426 423 432 435 10 426 423 432 438 10 426 423 432 441 10 423 432 441 444 10 423 432 441 447 10 423 432 441 450 10 420 414 423 426 11 420 414 423 429 11 420 414 423 432 12 417 414 423 426 11 417 414 423 429 11 417 414 423 432 12 414 423 432 435 10 414 423 432 438 10 411 405 399 453 10 411 405 414 417 11 411 405 414 420 11 411 405 414 423 12 408 405 399 453 10 408 405 414 417 11 408 405 414 420 11 408 405 414 423 12 405 414 423 426 12 405 414 423 429 12 402 399 405 408 10 402 399 405 411 10 402 399 405 414 10 402 399 453 456 23 402 399 -453 456 3 402 399 -453 456 24 402 399 453 459 3 399 405 414 417 12 399 405 414 420 12 399 453 459 462 2 396 393 399 402 3 396 393 399 405 3 396 393 399 453 3 393 399 405 408 10 393 399 405 411 10 513 510 516 519 1 513 510 -516 519 2 510 516 522 525 3 495 486 480 498 12 492 486 480 498 12 489 486 480 498 12 486 480 498 501 12 486 480 498 504 12 486 480 498 507 12 483 480 486 489 11 483 480 486 492 11 483 480 486 495 11 483 480 498 501 11 483 480 498 504 11 483 480 498 507 11 477 471 465 510 10 477 471 480 483 11 477 471 480 486 12 477 471 480 498 12 474 471 465 510 10 474 471 480 483 11 474 471 480 486 12 474 471 480 498 12 471 480 486 489 12 471 480 486 492 12 471 480 486 495 12 471 480 498 501 12 471 480 498 504 12 471 480 498 507 12 468 465 471 474 10 468 465 471 477 10 468 465 471 480 10 468 465 510 513 23 468 465 -510 513 3 468 465 -510 513 24 468 465 510 516 3 465 471 480 483 12 465 510 516 519 2 462 459 465 468 3 462 459 465 471 3 462 459 465 510 3 459 465 471 474 10 459 465 471 477 10 549 546 552 555 1 549 546 -552 555 2 546 552 558 561 3 534 528 522 546 10 534 528 537 540 3 534 528 537 543 3 531 528 522 546 10 531 528 537 540 3 531 528 537 543 3 525 522 528 531 10 525 522 528 534 10 525 522 528 537 10 525 522 546 549 23 525 522 -546 549 3 525 522 -546 549 24 525 522 546 552 3 522 546 552 555 2 519 516 522 525 3 519 516 522 528 3 519 516 522 546 3 516 522 528 531 10 516 522 528 534 10 606 603 609 612 1 606 603 -609 612 2 603 609 615 618 3 588 579 573 591 12 585 579 573 591 12 582 579 573 591 12 579 573 591 594 12 579 573 591 597 12 579 573 591 600 12 576 573 579 582 11 576 573 579 585 11 576 573 579 588 11 576 573 591 594 11 576 573 591 597 11 576 573 591 600 11 570 564 558 603 10 570 564 573 576 11 570 564 573 579 12 570 564 573 591 12 567 564 558 603 10 567 564 573 576 11 567 564 573 579 12 567 564 573 591 12 564 573 579 582 12 564 573 579 585 12 564 573 579 588 12 564 573 591 594 12 564 573 591 597 12 564 573 591 600 12 561 558 564 567 10 561 558 564 570 10 561 558 564 573 10 561 558 603 606 23 561 558 -603 606 3 561 558 -603 606 24 561 558 603 609 3 558 564 573 576 12 558 603 609 612 2 555 552 558 561 3 555 552 558 564 3 555 552 558 603 3 552 558 564 567 10 552 558 564 570 10 639 636 642 645 1 639 636 -642 645 2 636 642 648 651 3 627 621 615 636 10 627 621 630 633 95 624 621 615 636 10 624 621 630 633 95 618 615 621 624 10 618 615 621 627 10 618 615 621 630 96 618 615 -621 630 86 618 615 636 639 23 618 615 -636 639 3 618 615 -636 639 24 618 615 636 642 3 615 621 630 633 97 615 621 -630 633 98 615 621 -630 633 99 615 621 -630 633 100 615 636 642 645 2 612 609 615 618 3 612 609 615 621 3 612 609 615 636 3 609 615 621 624 10 609 615 621 627 10 681 678 684 687 1 681 678 -684 687 2 678 684 690 693 3 666 663 669 672 1 666 663 -669 672 2 666 663 669 675 1 666 663 -669 675 2 660 654 648 678 10 660 654 663 666 23 660 654 -663 666 3 660 654 -663 666 24 660 654 663 669 3 657 654 648 678 10 657 654 663 666 23 657 654 -663 666 3 657 654 -663 666 24 657 654 663 669 3 654 663 669 672 2 654 663 669 675 2 651 648 654 657 10 651 648 654 660 10 651 648 654 663 10 651 648 678 681 23 651 648 -678 681 3 651 648 -678 681 24 651 648 678 684 3 648 678 684 687 2 645 642 648 651 3 645 642 648 654 3 645 642 648 678 3 642 648 654 657 10 642 648 654 660 10 729 726 732 735 1 729 726 -732 735 2 726 732 738 741 3 711 702 696 714 12 708 702 696 714 12 705 702 696 714 12 702 696 714 717 12 702 696 714 720 12 702 696 714 723 12 699 696 690 726 10 699 696 702 705 11 699 696 702 708 11 699 696 702 711 11 699 696 714 717 11 699 696 714 720 11 699 696 714 723 11 693 690 696 699 10 693 690 696 702 10 693 690 696 714 10 693 690 726 729 23 693 690 -726 729 3 693 690 -726 729 24 693 690 726 732 3 690 696 702 705 12 690 696 702 708 12 690 696 702 711 12 690 696 714 717 12 690 696 714 720 12 690 696 714 723 12 690 726 732 735 2 687 684 690 693 3 687 684 690 696 3 687 684 690 726 3 684 690 696 699 10 780 777 783 786 1 780 777 -783 786 2 777 783 789 792 3 765 762 768 771 1 765 762 -768 771 2 765 762 768 774 1 765 762 -768 774 2 759 753 762 765 23 759 753 -762 765 3 759 753 -762 765 24 759 753 762 768 3 756 753 762 765 23 756 753 -762 765 3 756 753 -762 765 24 756 753 762 768 3 753 762 768 771 2 753 762 768 774 2 750 744 738 777 10 750 744 753 756 11 750 744 753 759 11 750 744 753 762 10 747 744 738 777 10 747 744 753 756 11 747 744 753 759 11 747 744 753 762 10 741 738 744 747 10 741 738 744 750 10 741 738 744 753 10 741 738 777 780 23 741 738 -777 780 3 741 738 -777 780 24 741 738 777 783 3 738 744 753 756 12 738 744 753 759 12 738 777 783 786 2 735 732 738 741 3 735 732 738 744 3 735 732 738 777 3 732 738 744 747 10 732 738 744 750 10 813 810 816 819 1 813 810 -816 819 2 810 816 822 825 3 801 795 789 810 10 801 795 804 807 95 798 795 789 810 10 798 795 804 807 95 792 789 795 798 10 792 789 795 801 10 792 789 795 804 96 792 789 -795 804 86 792 789 810 813 23 792 789 -810 813 3 792 789 -810 813 24 792 789 810 816 3 789 795 804 807 97 789 795 -804 807 98 789 795 -804 807 99 789 795 -804 807 100 789 810 816 819 2 786 783 789 792 3 786 783 789 795 3 786 783 789 810 3 783 789 795 798 10 783 789 795 801 10 879 876 882 885 1 879 876 -882 885 2 876 882 888 891 3 861 855 864 867 10 861 855 864 870 10 861 855 864 873 10 858 855 864 867 10 858 855 864 870 10 858 855 864 873 10 852 846 855 858 10 852 846 855 861 10 852 846 855 864 10 849 846 855 858 10 849 846 855 861 10 849 846 855 864 10 846 855 864 867 10 846 855 864 870 10 846 855 864 873 10 843 837 846 849 11 843 837 846 852 11 843 837 846 855 12 840 837 846 849 11 840 837 846 852 11 840 837 846 855 12 837 846 855 858 10 837 846 855 861 10 834 828 822 876 10 834 828 837 840 11 834 828 837 843 11 834 828 837 846 12 831 828 822 876 10 831 828 837 840 11 831 828 837 843 11 831 828 837 846 12 828 837 846 849 12 828 837 846 852 12 825 822 828 831 10 825 822 828 834 10 825 822 828 837 10 825 822 876 879 23 825 822 -876 879 3 825 822 -876 879 24 825 822 876 882 3 822 828 837 840 12 822 828 837 843 12 822 876 882 885 2 819 816 822 825 3 819 816 822 828 3 819 816 822 876 3 816 822 828 831 10 816 822 828 834 10 912 909 915 918 1 912 909 -915 918 2 909 915 921 924 3 909 915 921 927 3 900 894 888 909 10 900 894 903 906 108 897 894 888 909 10 897 894 903 906 108 891 888 894 897 10 891 888 894 900 10 891 888 894 903 10 891 888 909 912 23 891 888 -909 912 3 891 888 -909 912 24 891 888 909 915 3 888 894 903 906 109 888 894 -903 906 110 888 894 -903 906 111 888 894 -903 906 112 888 909 915 918 2 885 882 888 891 3 885 882 888 894 3 885 882 888 909 3 882 888 894 897 10 882 888 894 900 10 933 930 936 939 1 933 930 -936 939 2 930 936 942 945 3 927 921 930 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1107 1113 -1119 1125 5 1107 1113 -1119 1125 6 1107 1113 1119 1164 7 1107 1113 -1119 1164 8 1107 1113 -1119 1164 9 1107 1113 -1119 1164 6 1092 1083 1077 1107 60 1092 1083 -1077 1107 61 1092 1083 -1077 1107 62 1092 1083 -1077 1107 63 1083 1077 1107 1110 3 1083 1077 1107 1113 13 1083 1077 -1107 1113 14 1083 1077 -1107 1113 15 1083 1077 -1107 1113 6 1077 1083 1092 1095 7 1077 1083 1092 1098 64 1077 1083 -1092 1098 65 1077 1083 -1092 1098 66 1077 1083 -1092 1098 67 1077 1107 1113 1119 2 1071 1077 1083 1092 68 1071 1077 -1083 1092 69 1071 1077 -1083 1092 62 1071 1077 -1083 1092 70 1071 1077 1107 1110 3 1071 1077 1107 1113 28 1071 1077 -1107 1113 29 1071 1077 -1107 1113 30 1071 1077 -1107 1113 6 1167 1164 1170 1176 2 1164 1170 1176 1182 1 1164 1170 -1176 1182 4 1164 1170 -1176 1182 5 1164 1170 -1176 1182 6 1164 1170 1176 1230 7 1164 1170 -1176 1230 8 1164 1170 -1176 1230 9 1164 1170 -1176 1230 6 1143 1125 1119 1164 46 1143 1125 -1119 1164 47 1143 1125 -1119 1164 48 1143 1125 -1119 1164 49 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21 22 21 22 22 0 24 25 26 27 28 29 39 25 26 27 26 27 28 29 30 31 35 39 40 41 27 28 29 39 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 29 30 31 35 39 40 41 30 31 32 33 34 35 36 37 38 39 40 41 31 32 33 34 35 36 37 38 39 32 33 34 35 36 37 38 39 33 34 35 34 35 35 36 37 38 39 37 38 38 0 40 41 42 43 44 45 56 41 42 43 42 43 44 45 46 47 48 56 57 58 43 44 45 56 44 45 46 47 48 49 50 51 56 57 58 59 60 45 46 47 48 56 57 58 46 47 48 49 50 51 52 53 56 57 58 47 48 49 50 51 56 48 49 50 51 56 49 50 51 52 53 54 55 56 50 51 52 53 51 52 53 52 53 54 55 53 54 55 54 55 55 0 57 58 59 60 61 62 75 58 59 60 59 60 61 62 63 64 68 75 76 77 60 61 62 75 61 62 63 64 65 66 67 68 69 70 71 75 76 77 78 79 62 63 64 68 75 76 77 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 64 65 66 67 68 69 70 71 75 65 66 67 68 69 70 71 75 66 67 68 67 68 68 69 70 71 72 73 74 75 70 71 72 73 74 71 72 73 74 72 73 74 73 74 74 0 76 77 78 79 80 81 94 77 78 79 78 79 80 81 82 83 87 94 95 96 79 80 81 94 80 81 82 83 84 85 86 87 88 89 90 94 95 96 97 98 81 82 83 87 94 95 96 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 83 84 85 86 87 88 89 90 94 84 85 86 87 88 89 90 94 85 86 87 86 87 87 88 89 90 91 92 93 94 89 90 91 92 93 90 91 92 93 91 92 93 92 93 93 0 95 96 97 98 99 100 108 96 97 98 97 98 99 100 101 102 103 108 109 110 98 99 100 108 99 100 101 102 103 104 105 108 109 110 111 112 100 101 102 103 108 109 110 101 102 103 104 105 106 107 108 109 110 102 103 104 105 108 103 104 105 108 104 105 106 107 108 105 106 107 106 107 107 0 109 110 111 112 113 114 130 110 111 112 111 112 113 114 115 116 117 130 131 132 112 113 114 130 113 114 115 116 117 118 119 120 130 131 132 133 134 114 115 116 117 130 131 132 115 116 117 118 119 120 121 122 123 130 131 132 116 117 118 119 120 130 117 118 119 120 130 118 119 120 121 122 123 124 125 126 130 119 120 121 122 123 120 121 122 123 121 122 123 124 125 126 127 128 129 122 123 124 125 126 123 124 125 126 124 125 126 127 128 129 125 126 127 128 129 126 127 128 129 127 128 129 128 129 129 0 131 132 133 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175 176 177 183 176 177 178 179 180 181 182 183 184 185 186 187 177 178 179 180 183 184 185 178 179 180 181 182 183 184 185 179 180 181 182 183 180 181 182 183 181 182 183 182 0 184 185 186 187 188 189 202 185 186 187 186 187 188 189 190 191 192 202 203 204 187 188 189 202 188 189 190 191 192 193 194 198 202 203 204 205 206 189 190 191 192 202 203 204 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 191 192 193 194 198 202 192 193 194 198 202 193 194 195 196 197 198 199 200 201 202 194 195 196 197 198 199 200 201 195 196 197 198 199 200 201 196 197 198 197 198 198 199 200 201 200 201 201 0 203 204 205 206 207 208 213 204 205 206 205 206 207 208 209 210 211 213 214 215 206 207 208 213 207 208 209 210 211 212 213 214 215 216 217 208 209 210 211 213 214 215 209 210 211 212 213 214 215 210 211 212 213 211 212 213 212 213 0 214 215 216 217 218 219 227 215 216 217 216 217 218 219 220 221 222 227 228 229 217 218 219 227 218 219 220 221 222 223 224 227 228 229 230 231 219 220 221 222 227 228 229 220 221 222 223 224 225 226 227 228 229 221 222 223 224 227 222 223 224 227 223 224 225 226 227 224 225 226 225 226 226 0 228 229 230 231 232 233 243 229 230 231 230 231 232 233 234 235 239 243 244 245 231 232 233 243 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 233 234 235 239 243 244 245 234 235 236 237 238 239 240 241 242 243 244 245 235 236 237 238 239 240 241 242 243 236 237 238 239 240 241 242 243 237 238 239 238 239 239 240 241 242 243 241 242 242 0 244 245 246 247 248 249 260 245 246 247 246 247 248 249 250 251 252 260 261 262 247 248 249 260 248 249 250 251 252 253 254 255 260 261 262 263 264 249 250 251 252 260 261 262 250 251 252 253 254 255 256 257 260 261 262 251 252 253 254 255 260 252 253 254 255 260 253 254 255 256 257 258 259 260 254 255 256 257 255 256 257 256 257 258 259 257 258 259 258 259 259 0 261 262 263 264 265 266 271 262 263 264 263 264 265 266 267 268 269 271 272 273 264 265 266 271 265 266 267 268 269 270 271 272 273 274 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322 313 314 315 314 315 316 317 318 319 320 322 323 324 315 316 317 322 316 317 318 319 320 321 322 323 324 325 326 317 318 319 320 322 323 324 318 319 320 321 322 323 324 319 320 321 322 320 321 322 321 322 0 323 324 325 326 327 328 344 324 325 326 325 326 327 328 329 330 331 344 345 346 326 327 328 344 327 328 329 330 331 332 333 334 344 345 346 347 348 328 329 330 331 344 345 346 329 330 331 332 333 334 335 336 337 344 345 346 330 331 332 333 334 344 331 332 333 334 344 332 333 334 335 336 337 338 339 340 344 333 334 335 336 337 334 335 336 337 335 336 337 338 339 340 341 342 343 336 337 338 339 340 337 338 339 340 338 339 340 341 342 343 339 340 341 342 343 340 341 342 343 341 342 343 342 343 343 0 345 346 347 348 349 350 356 346 347 348 347 348 349 350 351 352 353 356 357 358 348 349 350 356 349 350 351 352 353 354 355 356 357 358 359 360 350 351 352 353 356 357 358 351 352 353 354 355 356 357 358 352 353 354 355 356 353 354 355 356 354 355 356 355 0 357 358 359 360 361 362 370 358 359 360 359 360 361 362 363 364 365 370 371 372 360 361 362 370 361 362 363 364 365 366 367 370 371 372 373 374 362 363 364 365 370 371 372 363 364 365 366 367 368 369 370 371 372 364 365 366 367 370 365 366 367 370 366 367 368 369 370 367 368 369 368 369 369 0 371 372 373 374 375 376 389 372 373 374 373 374 375 376 377 378 382 389 390 391 374 375 376 389 375 376 377 378 379 380 381 382 383 384 385 389 390 391 392 393 376 377 378 382 389 390 391 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 378 379 380 381 382 383 384 385 389 379 380 381 382 383 384 385 389 380 381 382 381 382 382 383 384 385 386 387 388 389 384 385 386 387 388 385 386 387 388 386 387 388 387 388 388 0 390 391 392 393 394 395 411 391 392 393 392 393 394 395 396 397 398 411 412 413 393 394 395 411 394 395 396 397 398 399 400 401 411 412 413 414 415 395 396 397 398 411 412 413 396 397 398 399 400 401 402 403 404 411 412 413 397 398 399 400 401 411 398 399 400 401 411 399 400 401 402 403 404 405 406 407 411 400 401 402 403 404 401 402 403 404 402 403 404 405 406 407 408 409 410 403 404 405 406 407 404 405 406 407 405 406 407 408 409 410 406 407 408 409 410 407 408 409 410 408 409 410 409 410 410 0 412 413 414 415 416 417 428 413 414 415 414 415 416 417 418 419 420 428 429 430 415 416 417 428 416 417 418 419 420 421 426 428 429 430 431 432 417 418 419 420 428 429 430 418 419 420 421 422 424 426 427 428 429 430 419 420 421 426 428 420 421 426 428 421 422 423 424 425 426 427 428 422 423 424 425 426 427 423 424 425 426 427 424 425 426 425 426 427 426 427 427 0 429 430 431 432 433 434 444 430 431 432 431 432 433 434 435 436 440 444 445 446 432 433 434 444 433 434 435 436 437 438 439 440 441 442 443 444 445 446 434 435 436 440 444 445 446 435 436 437 438 439 440 441 442 443 444 445 446 436 437 438 439 440 441 442 443 444 437 438 439 440 441 442 443 444 438 439 440 439 440 440 441 442 443 444 442 443 443 0 445 446 446 0 %FLAG HBOND_ACOEF %FORMAT(5E16.8) %FLAG HBOND_BCOEF %FORMAT(5E16.8) %FLAG HBCUT %FORMAT(5E16.8) %FLAG AMBER_ATOM_TYPE %FORMAT(20a4) N3 H H H CX HP C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 2C HC HC 2C HC HC C O N H H C O N H CX H1 3C HC CT HC HC HC 2C HC HC CT HC HC HC C O N H CX H1 3C HC CT HC HC HC 2C HC HC CT HC HC HC C O N H CX H1 2C HC HC C O N H H C O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 2C HC HC CO O2 O2 C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 2C H1 H1 OH HO C O N H CX H1 2C HC HC C O N H H C O N H CX H1 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 2C HC HC 2C HC HC C O N H H C O N H CX H1 2C H1 H1 OH HO C O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 2C H1 H1 SH HS C O N H CX H1 H1 C O N H CX H1 2C H1 H1 OH HO C O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 2C HC HC CO O2 O2 C O N H CX H1 2C HC HC C O N H H C O N H CX H1 3C HC CT HC HC HC 2C HC HC CT HC HC HC C O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 CT HC HC CC NB CR H5 NA H CW H4 C O N H CX H1 3C HC CT HC HC HC CT HC HC HC C O2 O2 %FLAG TREE_CHAIN_CLASSIFICATION %FORMAT(20a4) BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E E B E B E E M E M E M E 3 E 3 E E E 3 E E 3 E E E M E M E M E 3 E 3 E E E 3 E E 3 E E E M E M E M E 3 E E B E B E E M E M E M E 3 E 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 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 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 S E M E M E M E 3 E E B E B E E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E E B E B E E M E M E M E 3 E E S E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E E S E M E M E M E E M E M E M E 3 E E S E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E E B E E M E M E M E 3 E E B E B E E M E M E M E 3 E 3 E E E 3 E E 3 E E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E E B E S E B E B E M E BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA %FLAG JOIN_ARRAY %FORMAT(10I8) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 %FLAG RADIUS_SET %FORMAT(1a80) H(N)-modified Bondi radii (mbondi2) %FLAG RADII %FORMAT(5E16.8) 1.55000000E+00 1.30000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.55000000E+00 1.30000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.55000000E+00 1.30000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.55000000E+00 1.30000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.50000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.50000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.50000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.55000000E+00 1.30000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.80000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.50000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.55000000E+00 1.30000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.50000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.55000000E+00 1.30000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.55000000E+00 1.70000000E+00 1.20000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.50000000E+00 %FLAG SCREEN %FORMAT(5E16.8) 7.90000000E-01 8.50000000E-01 8.50000000E-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 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.90000000E-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 7.20000000E-01 8.50000000E-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 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-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 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 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 7.20000000E-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 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 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 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 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 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 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 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 7.20000000E-01 8.50000000E-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 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 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 7.20000000E-01 8.50000000E-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 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-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 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 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 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-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 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 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 7.20000000E-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 7.20000000E-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 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 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 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 7.20000000E-01 7.90000000E-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 7.90000000E-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 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 %FLAG IPOL %FORMAT(1I8) 0