%VERSION VERSION_STAMP = V0001.000 DATE = 06/19/18 19:53:04 %FLAG TITLE %FORMAT(20a4) default_name %FLAG POINTERS %FORMAT(10I8) 237 13 115 133 247 206 450 440 0 0 1352 16 133 206 440 35 83 37 23 0 0 0 0 0 0 0 0 0 87 0 0 %FLAG ATOM_NAME %FORMAT(20a4) HH31CH3 HH32HH33C O N H CA HA C O N H CH3 HH31HH32HH33HH31CH3 HH32HH33C O N H CA HA C O N H CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 NE2 HE21HE22C O N H CA HA C O N H CA HA C O N H CA HA CB HB CG2 HG21HG22HG23OG1 HG1 C O N H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 HE21C O HE22HE11HE12N H CH3 HH31HH32HH33FE NA C1A C2A C3A CMA HMA1HMA2HMA3C4A CHB HHB C1B NB C2B CMB HMB1HMB2HMB3C3B CAB HAB CBB HBB1HBB2HBB3C4B CHC HHC C1C NC C2C CMC HMC1HMC2HMC3 C3C CAC HAC CBC HBC1HBC2HBC3C4C CHD HHD C1D ND C2D CMD HMD1HMD2HMD3C3D C4D CHA HHA CBC1HB2CHB3CSGC1CB1 HB21HB31CG1 ND11HD11CE11HE11NE21CD21HD21CBB2HB2BHB3BSGB2 CB2 HB22HB32CG2 ND12HD12CE12HE12NE22CD22HD22CA HA1 HA2 CB HB1 HB2 CG O1 O2 H11 H12 H21 H22 CA HA1 HA2 CB HB1 HB2 CG O1 O2 H11 H12 H21 H22 %FLAG CHARGE %FORMAT(5E16.8) 2.04636429E+00 -6.67300626E+00 2.04636429E+00 2.04636429E+00 1.08823576E+01 -1.03484442E+01 -7.57501011E+00 4.95464337E+00 4.79246490E-01 1.60538463E+00 1.08841798E+01 -1.03484442E+01 -7.57501011E+00 4.95464337E+00 -2.71512270E+00 1.77849648E+00 1.77849648E+00 1.77849648E+00 2.04636429E+00 -6.67300626E+00 2.04636429E+00 2.04636429E+00 1.08823576E+01 -1.03484442E+01 -7.57501011E+00 4.95464337E+00 3.09779100E-01 1.77485202E+00 1.08841798E+01 -1.03484442E+01 -7.57501011E+00 4.95464337E+00 6.14091510E-01 1.49969529E+00 -3.32556975E+00 1.09880469E+00 1.09880469E+00 1.09880469E+00 1.08841798E+01 -1.03484442E+01 -7.57501011E+00 4.95464337E+00 -5.64891300E-02 1.54889550E+00 -6.56002800E-02 3.11601330E-01 3.11601330E-01 -1.17533835E+00 6.41424960E-01 6.41424960E-01 1.26663207E+01 -1.10900918E+01 -1.71417176E+01 7.74629973E+00 7.74629973E+00 1.08841798E+01 -1.03484442E+01 -7.57501011E+00 4.95464337E+00 3.09779100E-01 1.77485202E+00 1.08841798E+01 -1.03484442E+01 -7.57501011E+00 4.95464337E+00 4.79246490E-01 1.60538463E+00 1.08841798E+01 -1.03484442E+01 -7.57501011E+00 4.95464337E+00 -7.08847470E-01 1.83498561E+00 6.65842842E+00 7.83558900E-02 -4.44259674E+00 1.16987166E+00 1.16987166E+00 1.16987166E+00 -1.23200970E+01 7.47478746E+00 1.08841798E+01 -1.03484442E+01 -7.57501011E+00 4.95464337E+00 -1.59445125E+00 1.76574087E+00 5.43935655E+00 -5.41202310E-01 -5.81655816E+00 1.44138393E+00 1.44138393E+00 1.44138393E+00 -5.81655816E+00 1.44138393E+00 1.44138393E+00 1.44138393E+00 1.08841798E+01 -1.03484442E+01 -9.40817349E+00 5.35006728E+00 7.23425310E-01 2.01356415E+00 1.02044880E+00 -3.15245790E-01 -3.15245790E-01 2.47823280E-01 -7.74447750E-01 -7.74447750E-01 1.46762404E+01 -1.49204192E+01 -1.49204192E+01 0.00000000E+00 9.77808618E+00 -1.06035564E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 -7.57501011E+00 4.95464337E+00 -2.71512270E+00 1.77849648E+00 1.77849648E+00 1.77849648E+00 1.21360518E+01 -2.78801190E+00 -1.74205188E+00 2.32152102E+00 2.95930152E+00 -4.73779800E+00 1.35391689E+00 1.35391689E+00 1.35391689E+00 -1.39582818E+00 -1.06782678E+00 2.36889900E+00 -3.75379380E-01 -4.66490880E+00 2.54018862E+00 -4.08179520E+00 1.20813849E+00 1.20813849E+00 1.20813849E+00 1.33751682E+00 -1.70378505E+00 3.21623595E+00 -7.35269805E+00 2.50556625E+00 2.50556625E+00 2.50556625E+00 9.18403920E-01 -3.29094738E+00 2.60578890E+00 6.63291720E-01 -4.35512970E+00 3.25085832E+00 -4.23668475E+00 1.15711605E+00 1.15711605E+00 1.15711605E+00 1.53067320E-01 -1.03867110E+00 3.88134990E+00 -7.45292070E+00 2.47276611E+00 2.47276611E+00 2.47276611E+00 -4.84713180E-01 -1.04960448E+00 2.47823280E+00 -2.10649788E+00 -2.05911990E+00 2.92285692E+00 -4.69224225E+00 1.37031696E+00 1.37031696E+00 1.37031696E+00 2.63130012E+00 -2.05183098E+00 1.89511920E-01 1.98623070E+00 -6.10264827E+00 2.36343231E+00 2.36343231E+00 -3.20712480E+00 -1.46325069E+00 4.90179870E-01 4.90179870E-01 3.62623770E+00 -5.33913390E+00 6.65113950E+00 2.18667600E-01 2.15023140E+00 -7.28892000E-01 -3.68090460E+00 3.26179170E+00 -6.10264827E+00 2.36343231E+00 2.36343231E+00 -3.20712480E+00 -1.46325069E+00 4.90179870E-01 4.90179870E-01 3.62623770E+00 -5.33913390E+00 6.65113950E+00 2.18667600E-01 2.15023140E+00 -7.28892000E-01 -3.68090460E+00 3.26179170E+00 -9.25692840E-01 -3.15245790E-01 -3.15245790E-01 4.73779800E-02 -7.74447750E-01 -7.74447750E-01 1.46762404E+01 -1.49204192E+01 -1.49204192E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -9.25692840E-01 -3.15245790E-01 -3.15245790E-01 4.73779800E-02 -7.74447750E-01 -7.74447750E-01 1.46762404E+01 -1.49204192E+01 -1.49204192E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 %FLAG ATOMIC_NUMBER %FORMAT(10I8) 1 6 1 1 6 8 7 1 6 1 6 8 7 1 6 1 1 1 1 6 1 1 6 8 7 1 6 1 6 8 7 1 6 1 6 1 1 1 6 8 7 1 6 1 6 1 1 6 1 1 6 8 7 1 1 6 8 7 1 6 1 6 8 7 1 6 1 6 8 7 1 6 1 6 1 6 1 1 1 8 1 6 8 7 1 6 1 6 1 6 1 1 1 6 1 1 1 6 8 7 1 6 1 6 1 1 6 1 1 6 8 8 1 6 8 1 1 1 7 1 6 1 1 1 26 7 6 6 6 6 1 1 1 6 6 1 6 7 6 6 1 1 1 6 6 1 6 1 1 1 6 6 1 6 7 6 6 1 1 1 6 6 1 6 1 1 1 6 6 1 6 7 6 6 1 1 1 6 6 6 1 6 1 1 16 6 1 1 6 7 1 6 1 7 6 1 6 1 1 16 6 1 1 6 7 1 6 1 7 6 1 6 1 1 6 1 1 6 8 8 1 1 1 1 6 1 1 6 1 1 6 8 8 1 1 1 1 %FLAG MASS %FORMAT(5E16.8) 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 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 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 1.60000000E+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 1.40100000E+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 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+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 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 5.50000000E+01 1.40100000E+01 1.20100000E+01 1.20100000E+01 1.20100000E+01 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.40100000E+01 1.20100000E+01 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.40100000E+01 1.20100000E+01 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.40100000E+01 1.20100000E+01 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.20100000E+01 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 3.20600000E+01 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 1.00800000E+00 1.00800000E+00 3.20600000E+01 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 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.60000000E+01 1.00800000E+00 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 1.20100000E+01 1.60000000E+01 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.00800000E+00 %FLAG ATOM_TYPE_INDEX %FORMAT(10I8) 1 2 1 1 3 4 5 6 2 7 3 4 5 6 2 7 7 7 1 2 1 1 3 4 5 6 2 7 3 4 5 6 2 7 2 1 1 1 3 4 5 6 2 7 2 1 1 2 1 1 3 4 5 6 6 3 4 5 6 2 7 3 4 5 6 2 7 3 4 5 6 2 7 2 7 2 1 1 1 8 9 3 4 5 6 2 7 2 1 2 1 1 1 2 1 1 1 3 4 5 6 2 7 2 1 1 2 1 1 3 8 8 9 3 4 9 9 9 5 6 2 7 7 7 10 5 3 3 3 2 1 1 1 3 3 1 3 5 3 2 1 1 1 3 2 1 2 1 1 1 3 3 1 3 5 3 2 1 1 1 3 2 1 2 1 1 1 3 3 1 3 5 3 2 1 1 1 3 3 3 1 2 7 7 11 2 1 1 3 5 6 3 12 5 3 13 2 7 7 11 2 1 1 3 5 6 3 12 5 3 13 2 1 1 2 1 1 3 8 8 9 9 9 9 2 1 1 2 1 1 3 8 8 9 9 9 9 %FLAG NUMBER_EXCLUDED_ATOMS %FORMAT(10I8) 6 7 4 3 7 3 10 4 12 7 11 4 6 4 3 2 1 1 6 7 4 3 7 3 10 4 11 7 11 4 11 4 10 7 6 3 2 1 7 3 10 4 13 7 11 6 5 8 4 3 4 3 2 1 1 7 3 10 4 11 7 11 4 11 4 12 7 11 4 11 4 14 7 10 7 6 3 2 1 2 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 10 4 3 6 5 4 1 7 3 1 1 1 5 4 3 2 1 1 38 25 18 17 13 6 3 2 1 11 7 3 14 19 11 6 3 2 1 12 11 7 6 3 2 1 9 7 3 13 16 11 6 3 2 1 12 11 7 6 3 2 1 8 7 3 12 13 11 6 3 2 1 10 8 3 1 3 2 1 1 9 4 3 7 6 4 5 2 5 2 1 3 2 1 1 9 4 3 7 6 4 4 2 2 1 1 8 5 4 9 4 3 6 5 4 1 1 1 1 8 5 4 9 4 3 6 5 4 1 1 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) ACE HIO NME ACE CYO ALA GLN CYO HIO THR VAL GL4 NME HEH PRN PRN %FLAG RESIDUE_POINTER %FORMAT(10I8) 1 7 13 19 25 31 41 58 64 70 84 100 119 125 212 225 %FLAG BOND_FORCE_CONSTANT %FORMAT(5E16.8) 5.70000000E+02 4.90000000E+02 3.40000000E+02 3.17000000E+02 4.34000000E+02 3.37000000E+02 3.10000000E+02 3.40000000E+02 3.17000000E+02 3.40000000E+02 3.37000000E+02 3.10000000E+02 5.53000000E+02 3.20000000E+02 4.50000000E+02 3.67000000E+02 4.10000000E+02 4.88000000E+02 3.67000000E+02 4.77000000E+02 4.34000000E+02 4.22000000E+02 5.12000000E+02 3.17000000E+02 2.27000000E+02 3.38000000E+02 3.91000000E+02 2.73000000E+02 2.97000000E+02 4.18000000E+02 3.16000000E+02 3.16000000E+02 6.00000000E+01 5.00000000E+01 5.00000000E+01 %FLAG BOND_EQUIL_VALUE %FORMAT(5E16.8) 1.22900000E+00 1.33500000E+00 1.09000000E+00 1.52200000E+00 1.01000000E+00 1.44900000E+00 1.52600000E+00 1.09000000E+00 1.52200000E+00 1.09000000E+00 1.44900000E+00 1.52600000E+00 9.60000000E-01 1.41000000E+00 1.36400000E+00 1.08000000E+00 1.39400000E+00 1.33500000E+00 1.08000000E+00 1.34300000E+00 1.01000000E+00 1.38500000E+00 1.37500000E+00 1.50400000E+00 1.81000000E+00 1.09000000E+00 1.39100000E+00 1.44400000E+00 1.50100000E+00 1.35700000E+00 1.38400000E+00 1.38400000E+00 2.01000000E+00 2.01000000E+00 2.01000000E+00 %FLAG ANGLE_FORCE_CONSTANT %FORMAT(5E16.8) 8.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 3.50000000E+01 8.00000000E+01 7.00000000E+01 8.00000000E+01 7.00000000E+01 5.00000000E+01 6.30000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 6.30000000E+01 6.30000000E+01 5.00000000E+01 8.00000000E+01 3.50000000E+01 5.00000000E+01 5.00000000E+01 6.30000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 6.30000000E+01 8.00000000E+01 3.50000000E+01 5.00000000E+01 4.00000000E+01 5.00000000E+01 5.00000000E+01 5.50000000E+01 5.00000000E+01 5.00000000E+01 4.00000000E+01 6.00000000E+01 8.00000000E+01 5.00000000E+01 8.00000000E+01 5.00000000E+01 5.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 0.00000000E+00 7.00000000E+01 3.00000000E+01 7.00000000E+01 3.50000000E+01 6.30000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 6.20000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.00000000E+01 3.00000000E+01 %FLAG ANGLE_EQUIL_VALUE %FORMAT(5E16.8) 2.14501057E+00 2.09439600E+00 2.12755727E+00 1.91113635E+00 1.91113635E+00 2.10137732E+00 2.03505478E+00 1.91462701E+00 2.03505478E+00 2.06018753E+00 1.97396823E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.92160833E+00 1.93906163E+00 2.12755727E+00 2.10137732E+00 1.91113635E+00 2.06018753E+00 1.91113635E+00 1.93906163E+00 1.91113635E+00 1.91113635E+00 2.00189351E+00 1.92160833E+00 1.91462701E+00 2.09439600E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.89368305E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 2.33874220E+00 2.09439600E+00 1.97222290E+00 1.91986300E+00 2.09439600E+00 2.09439600E+00 2.04203610E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 1.91113635E+00 2.09439600E+00 2.09439600E+00 1.91113635E+00 3.14159400E+00 2.17991717E+00 2.05948940E+00 2.18864382E+00 1.91113635E+00 1.98967620E+00 2.23751306E+00 1.86750310E+00 1.57079700E+00 1.92509899E+00 2.19038915E+00 1.83957782E+00 2.16595453E+00 1.91113635E+00 1.72613137E+00 2.00189351E+00 1.57079700E+00 1.57079700E+00 1.92509899E+00 2.19038915E+00 1.83957782E+00 1.57079700E+00 1.57079700E+00 1.91986300E+00 1.91986300E+00 2.22355042E+00 2.22355042E+00 %FLAG DIHEDRAL_FORCE_CONSTANT %FORMAT(5E16.8) 2.00000000E+00 2.50000000E+00 0.00000000E+00 0.00000000E+00 2.70000000E-01 4.20000000E-01 0.00000000E+00 2.00000000E+00 4.00000000E-01 8.00000000E-01 8.00000000E-02 4.50000000E-01 1.58000000E+00 5.50000000E-01 1.55555556E-01 2.00000000E-01 2.00000000E-01 3.33333333E-01 1.50000000E-01 1.60000000E-01 2.50000000E-01 0.00000000E+00 1.66666667E-01 2.30000000E+00 5.00000000E+00 1.40000000E+00 2.40000000E+00 2.32500000E+00 5.15000000E+00 7.87500000E-01 0.00000000E+00 1.97500000E+00 5.37500000E+00 1.42500000E+00 1.05000000E+01 1.10000000E+00 1.00000000E+00 %FLAG DIHEDRAL_PERIODICITY %FORMAT(5E16.8) 1.00000000E+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 1.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 3.00000000E+00 3.00000000E+00 1.00000000E+00 3.00000000E+00 3.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 %FLAG DIHEDRAL_PHASE %FORMAT(5E16.8) 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 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 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 %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 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 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 %FLAG LENNARD_JONES_ACOEF %FORMAT(5E16.8) 7.51607703E+03 9.71708117E+04 1.04308023E+06 8.61541883E+04 9.24822270E+05 8.19971662E+05 5.44261042E+04 6.47841731E+05 5.74393458E+05 3.79876399E+05 8.96776989E+04 9.95480466E+05 8.82619071E+05 6.06829342E+05 9.44293233E+05 1.07193646E+02 2.56678134E+03 2.27577561E+03 1.02595236E+03 2.12601181E+03 1.39982777E-01 4.98586848E+03 6.78771368E+04 6.01816484E+04 3.69471530E+04 6.20665997E+04 5.94667300E+01 3.25969625E+03 6.82786631E+04 7.91544157E+05 7.01803794E+05 4.71003287E+05 7.44975864E+05 1.40467023E+03 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 3.96868679E+03 6.00849612E+04 5.32729013E+04 3.08441812E+04 5.39126780E+04 3.24119298E+01 2.51763039E+03 3.95718682E+04 0.00000000E+00 1.82601737E+03 2.02461849E+05 2.09861767E+06 1.86068943E+06 1.32911052E+06 2.01562190E+06 5.97860700E+03 1.42791446E+05 1.61587928E+06 0.00000000E+00 1.28900543E+05 4.19430400E+06 4.33325458E+03 5.98885646E+04 5.30987710E+04 3.23283631E+04 5.46147253E+04 4.90239937E+01 2.82099197E+03 4.09427581E+04 0.00000000E+00 2.15960370E+03 1.26338489E+05 2.43828624E+03 5.34045360E+03 7.18621074E+04 6.37148278E+04 3.93690817E+04 6.58473870E+04 6.63368273E+01 3.50301067E+03 4.96707306E+04 0.00000000E+00 2.72407826E+03 1.50848032E+05 3.03448006E+03 3.76169105E+03 %FLAG LENNARD_JONES_BCOEF %FORMAT(5E16.8) 2.17257828E+01 1.26919150E+02 6.75612247E+02 1.12529845E+02 5.99015525E+02 5.31102864E+02 1.11805549E+02 6.26720080E+02 5.55666448E+02 5.64885984E+02 1.36131731E+02 7.36907417E+02 6.53361429E+02 6.77220874E+02 8.01323529E+02 2.59456373E+00 2.06278363E+01 1.82891803E+01 1.53505284E+01 2.09604198E+01 9.37598976E-02 1.76949863E+01 1.06076943E+02 9.40505980E+01 9.21192136E+01 1.13252061E+02 1.93248820E+00 1.43076527E+01 1.25287818E+02 6.93079947E+02 6.14502845E+02 6.29300710E+02 7.50714425E+02 1.79702257E+01 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 2.10897204E+01 1.33324425E+02 1.18208929E+02 1.12438215E+02 1.41003593E+02 1.90589888E+00 1.67974515E+01 1.27416951E+02 0.00000000E+00 1.91102976E+01 2.25248294E+02 1.17824605E+03 1.04466382E+03 1.10369829E+03 1.28923404E+03 3.87070358E+01 1.89165096E+02 1.21753341E+03 0.00000000E+00 2.40095971E+02 2.04800000E+03 1.63092814E+01 9.85097219E+01 8.73413012E+01 8.51921330E+01 1.05031585E+02 1.73473071E+00 1.31591746E+01 9.59185913E+01 0.00000000E+00 1.53809210E+01 1.75916126E+02 1.20953369E+01 1.81057616E+01 1.07908863E+02 9.56748258E+01 9.40124296E+01 1.15327881E+02 2.01792524E+00 1.46638650E+01 1.05648788E+02 0.00000000E+00 1.72744847E+01 1.92224012E+02 1.34932874E+01 1.50233639E+01 %FLAG BONDS_INC_HYDROGEN %FORMAT(10I8) 3 6 3 3 9 3 0 3 3 21 18 5 27 24 8 42 45 10 42 48 10 42 51 10 36 39 5 57 60 3 57 63 3 54 57 3 78 81 10 72 75 5 102 105 3 102 108 3 102 111 3 96 99 8 90 93 5 156 159 5 156 162 5 141 144 3 141 147 3 132 135 3 132 138 3 126 129 8 120 123 5 177 180 10 171 174 5 192 189 5 198 195 8 237 240 13 225 228 3 225 231 3 225 234 3 219 222 10 213 216 8 207 210 5 279 282 3 279 285 3 279 288 3 267 270 3 267 273 3 267 276 3 261 264 3 255 258 8 249 252 5 333 336 13 333 345 13 330 348 13 330 351 13 318 321 3 318 324 3 309 312 3 309 315 3 303 306 8 297 300 5 360 363 10 360 366 10 360 369 10 354 357 5 627 630 16 618 621 19 612 615 21 600 606 3 600 603 3 588 591 10 588 594 10 582 585 16 573 576 19 567 570 21 555 561 3 555 558 3 543 546 10 543 549 10 537 540 26 519 528 3 519 522 3 519 525 3 504 507 26 489 498 3 489 492 3 489 495 3 483 486 3 468 474 3 468 471 3 468 477 3 453 456 26 438 441 3 438 447 3 438 444 3 432 435 3 417 423 3 417 420 3 417 426 3 402 405 26 387 390 3 387 396 3 387 393 3 657 666 13 657 669 13 654 660 13 654 663 13 642 645 3 642 648 3 633 636 3 633 639 3 696 705 13 696 708 13 693 699 13 693 702 13 681 684 3 681 687 3 672 675 3 672 678 3 %FLAG BONDS_WITHOUT_HYDROGEN %FORMAT(10I8) 12 15 1 12 18 2 3 12 4 24 18 6 24 600 7 30 24 9 30 36 2 33 30 1 36 42 11 66 69 1 66 72 2 57 66 4 84 87 1 84 90 2 78 84 4 78 588 12 72 78 11 114 117 1 114 120 2 96 102 7 96 114 9 90 96 6 165 168 1 165 171 2 150 153 1 150 156 2 141 150 4 132 141 12 126 132 7 126 165 9 120 126 6 183 186 1 183 189 2 177 183 4 177 543 12 171 177 11 195 189 6 195 555 7 201 195 9 201 207 2 204 201 1 243 246 1 243 249 2 219 225 12 219 237 14 213 219 7 213 243 9 207 213 6 291 294 1 291 297 2 261 267 12 261 279 12 255 261 7 255 291 9 249 255 6 339 342 1 339 354 2 327 330 15 327 333 15 318 327 4 309 318 12 303 309 7 303 339 9 297 303 6 354 360 11 624 627 17 618 624 18 612 618 20 609 612 22 609 627 23 600 609 24 588 597 25 579 582 17 573 579 18 567 573 20 564 567 22 564 582 23 555 564 24 543 552 25 534 537 27 531 534 28 531 672 29 516 531 30 516 519 29 513 534 31 510 513 31 510 516 28 504 510 27 501 504 27 483 552 25 483 489 12 480 483 29 480 501 28 465 480 30 465 468 29 462 501 32 459 465 28 459 462 32 453 459 27 450 453 27 432 597 25 432 438 12 429 450 28 429 432 29 414 429 30 414 417 29 411 450 31 408 411 31 408 414 28 402 408 27 399 402 27 384 399 28 384 387 29 381 384 30 381 633 29 378 537 27 378 381 28 375 378 32 375 399 32 372 624 33 372 579 33 372 462 34 372 513 35 372 375 34 372 411 35 651 654 15 651 657 15 642 651 4 633 642 12 690 693 15 690 696 15 681 690 4 672 681 12 %FLAG ANGLES_INC_HYDROGEN %FORMAT(10I8) 12 18 21 2 9 3 12 4 6 3 9 5 6 3 12 4 0 3 6 5 0 3 9 5 0 3 12 4 24 18 21 10 24 600 606 12 24 600 603 12 27 24 18 13 27 24 600 14 30 24 27 15 30 36 39 2 48 42 51 20 45 42 48 20 45 42 51 20 39 36 42 21 36 42 45 22 36 42 48 22 36 42 51 22 66 72 75 2 63 57 66 4 60 57 63 5 60 57 66 4 54 57 60 5 54 57 63 5 54 57 66 4 84 90 93 2 81 78 84 24 81 78 588 25 78 588 591 25 78 588 594 25 75 72 78 21 72 78 81 22 114 120 123 2 108 102 111 5 105 102 108 5 105 102 111 5 99 96 102 14 99 96 114 15 96 102 105 12 96 102 108 12 96 102 111 12 93 90 96 10 90 96 99 13 165 171 174 2 159 156 162 29 150 156 159 2 150 156 162 2 147 141 150 4 144 141 147 5 144 141 150 4 138 132 141 30 135 132 138 5 135 132 141 30 132 141 144 30 132 141 147 30 129 126 132 14 129 126 165 15 126 132 135 12 126 132 138 12 123 120 126 10 120 126 129 13 183 189 192 2 180 177 183 24 180 177 543 25 177 543 546 25 177 543 549 25 174 171 177 21 171 177 180 22 195 189 192 10 195 555 561 12 195 555 558 12 198 195 189 13 198 195 555 14 201 195 198 15 201 207 210 2 243 249 252 2 231 225 234 5 228 225 231 5 228 225 234 5 222 219 225 25 222 219 237 33 219 225 228 30 219 225 231 30 219 225 234 30 219 237 240 34 216 213 219 14 216 213 243 15 213 219 222 35 210 207 213 10 207 213 216 13 291 297 300 2 285 279 288 5 282 279 285 5 282 279 288 5 273 267 276 5 270 267 273 5 270 267 276 5 264 261 267 30 264 261 279 30 261 267 270 30 261 267 273 30 261 267 276 30 261 279 282 30 261 279 285 30 261 279 288 30 258 255 261 14 258 255 291 15 255 261 264 12 252 249 255 10 249 255 258 13 348 330 351 38 339 354 357 2 336 333 345 38 327 330 348 40 327 330 351 40 327 333 336 40 327 333 345 40 324 318 327 4 321 318 324 5 321 318 327 4 315 309 318 30 312 309 315 5 312 309 318 30 309 318 321 30 309 318 324 30 306 303 309 14 306 303 339 15 303 309 312 12 303 309 315 12 300 297 303 10 297 303 306 13 366 360 369 20 363 360 366 20 363 360 369 20 357 354 360 21 354 360 363 22 354 360 366 22 354 360 369 22 624 627 630 42 621 618 624 43 615 612 618 45 612 618 621 48 609 612 615 50 609 627 630 52 606 600 609 53 603 600 609 53 603 600 606 5 594 588 597 56 591 588 594 20 591 588 597 56 579 582 585 42 576 573 579 43 570 567 573 45 567 573 576 48 564 567 570 50 564 582 585 52 561 555 564 53 558 555 564 53 558 555 561 5 549 543 552 56 546 543 549 20 546 543 552 56 534 537 540 59 531 672 675 61 531 672 678 61 525 519 528 5 522 519 528 5 522 519 525 5 516 519 528 61 516 519 522 61 516 519 525 61 507 504 510 59 501 504 507 59 495 489 498 5 492 489 498 5 492 489 495 5 486 483 552 70 486 483 489 30 483 489 498 30 483 489 492 30 483 489 495 30 480 483 486 61 474 468 477 5 471 468 474 5 471 468 477 5 465 468 474 61 465 468 471 61 465 468 477 61 456 453 459 59 450 453 456 59 444 438 447 5 441 438 447 5 441 438 444 5 435 432 597 70 435 432 438 30 432 438 441 30 432 438 447 30 432 438 444 30 429 432 435 61 423 417 426 5 420 417 423 5 420 417 426 5 414 417 423 61 414 417 420 61 414 417 426 61 405 402 408 59 399 402 405 59 393 387 396 5 390 387 396 5 390 387 393 5 384 387 390 61 384 387 396 61 384 387 393 61 381 633 636 61 381 633 639 61 378 537 540 59 666 657 669 38 660 654 663 38 651 654 660 40 651 654 663 40 651 657 666 40 651 657 669 40 648 642 651 4 645 642 648 5 645 642 651 4 639 633 642 30 636 633 639 5 636 633 642 30 633 642 645 30 633 642 648 30 705 696 708 38 699 693 702 38 690 693 699 40 690 693 702 40 690 696 705 40 690 696 708 40 687 681 690 4 684 681 687 5 684 681 690 4 678 672 681 30 675 672 678 5 675 672 681 30 672 681 684 30 672 681 687 30 %FLAG ANGLES_WITHOUT_HYDROGEN %FORMAT(10I8) 15 12 18 1 12 18 24 3 3 12 15 6 3 12 18 7 18 24 600 8 24 30 36 9 24 600 609 11 30 24 18 16 30 24 600 17 30 36 42 18 33 30 24 19 33 30 36 1 69 66 72 1 66 72 78 18 57 66 69 6 57 66 72 7 87 84 90 1 84 78 588 23 84 90 96 3 78 84 87 6 78 84 90 7 78 588 597 26 72 78 84 27 72 78 588 28 117 114 120 1 114 120 126 3 102 96 114 17 96 114 117 19 96 114 120 9 90 96 102 8 90 96 114 16 168 165 171 1 165 171 177 18 153 150 156 1 141 150 153 6 141 150 156 7 132 126 165 17 132 141 150 23 126 132 141 31 126 165 168 19 126 165 171 9 120 126 132 8 120 126 165 16 186 183 189 1 183 177 543 23 183 189 195 3 177 183 186 6 177 183 189 7 177 543 552 26 171 177 183 27 171 177 543 28 189 195 555 8 195 201 207 9 195 555 564 11 201 195 189 16 201 195 555 17 201 207 213 3 204 201 195 19 204 201 207 1 246 243 249 1 243 249 255 3 225 219 237 32 219 213 243 17 213 219 225 31 213 219 237 36 213 243 246 19 213 243 249 9 207 213 219 8 207 213 243 16 294 291 297 1 291 297 303 3 267 261 279 37 261 255 291 17 255 261 267 31 255 261 279 31 255 291 294 19 255 291 297 9 249 255 261 8 249 255 291 16 342 339 354 1 339 354 360 18 330 327 333 39 318 327 330 41 318 327 333 41 309 303 339 17 309 318 327 23 303 309 318 31 303 339 342 19 303 339 354 9 297 303 309 8 297 303 339 16 618 624 627 44 612 609 627 46 612 618 624 47 609 612 618 49 609 627 624 51 600 609 612 54 600 609 627 55 579 372 624 57 573 579 582 44 567 564 582 46 567 573 579 47 564 567 573 49 564 582 579 51 555 564 567 54 555 564 582 55 534 531 672 58 531 534 537 60 531 672 681 62 519 516 531 63 516 531 534 64 516 531 672 63 513 372 624 65 513 372 579 65 513 510 516 66 513 534 531 66 513 534 537 67 510 513 534 68 510 516 531 64 510 516 519 58 504 510 513 67 504 510 516 60 501 504 510 69 489 483 552 26 483 480 501 58 483 552 543 71 480 483 552 72 480 483 489 62 480 501 504 60 468 465 480 63 465 480 483 63 465 480 501 64 462 372 624 73 462 372 579 73 462 372 513 74 462 459 465 75 462 501 480 75 462 501 504 76 459 465 480 64 459 465 468 58 459 462 501 77 453 459 465 60 453 459 462 76 450 453 459 69 438 432 597 26 432 429 450 58 432 597 588 71 429 450 453 60 429 432 597 72 429 432 438 62 417 414 429 63 414 429 450 64 414 429 432 63 411 372 624 65 411 372 579 65 411 372 462 74 411 372 513 78 411 408 414 66 411 450 429 66 411 450 453 67 408 411 450 68 408 414 429 64 408 414 417 58 402 408 411 67 402 408 414 60 399 402 408 69 387 384 399 58 384 381 633 63 384 399 402 60 381 378 537 60 381 384 399 64 381 384 387 63 381 633 642 62 378 375 399 77 378 537 534 69 378 381 384 64 378 381 633 58 375 372 624 73 375 372 579 73 375 372 462 79 375 372 513 74 375 372 411 74 375 378 537 76 375 378 381 75 375 399 384 75 375 399 402 76 372 624 618 80 372 624 627 81 372 579 573 80 372 579 582 81 372 462 459 82 372 462 501 82 372 513 510 83 372 513 534 83 372 375 378 82 372 375 399 82 372 411 408 83 372 411 450 83 654 651 657 39 642 651 654 41 642 651 657 41 633 642 651 23 693 690 696 39 681 690 693 41 681 690 696 41 672 681 690 23 %FLAG DIHEDRALS_INC_HYDROGEN %FORMAT(10I8) 15 12 18 21 1 15 12 -18 21 2 12 18 24 27 3 9 3 12 15 10 9 3 -12 15 3 9 3 -12 15 11 9 3 12 18 3 6 3 12 15 10 6 3 -12 15 3 6 3 -12 15 11 6 3 12 18 3 3 12 18 21 2 0 3 12 15 10 0 3 -12 15 3 0 3 -12 15 11 0 3 12 18 3 18 24 600 606 15 18 24 600 603 15 21 18 24 600 3 24 30 36 39 2 27 24 30 36 3 27 24 18 21 3 27 24 600 609 15 27 24 600 606 15 27 24 600 603 15 30 24 18 21 3 30 24 600 606 15 30 24 600 603 15 30 36 42 45 3 30 36 42 48 3 30 36 42 51 3 33 30 24 27 10 33 30 -24 27 3 33 30 -24 27 11 33 30 36 39 1 33 30 -36 39 2 39 36 42 45 3 39 36 42 48 3 39 36 42 51 3 69 66 72 75 1 69 66 -72 75 2 66 72 78 81 3 63 57 66 69 10 63 57 -66 69 3 63 57 -66 69 11 63 57 66 72 3 60 57 66 69 10 60 57 -66 69 3 60 57 -66 69 11 60 57 66 72 3 57 66 72 75 2 54 57 66 69 10 54 57 -66 69 3 54 57 -66 69 11 54 57 66 72 3 87 84 90 93 1 87 84 -90 93 2 84 78 588 591 15 84 78 588 594 15 84 90 96 99 3 81 78 84 87 10 81 78 -84 87 3 81 78 -84 87 11 81 78 84 90 3 81 78 588 591 15 81 78 588 594 15 81 78 588 597 15 78 84 90 93 2 75 72 78 81 3 75 72 78 84 3 75 72 78 588 3 72 78 588 591 15 72 78 588 594 15 117 114 120 123 1 117 114 -120 123 2 114 120 126 129 3 111 102 96 114 15 108 102 96 114 15 105 102 96 114 15 99 96 102 105 15 99 96 102 108 15 99 96 102 111 15 99 96 114 117 10 99 96 -114 117 3 99 96 -114 117 11 99 96 114 120 3 96 114 120 123 2 93 90 96 99 3 93 90 96 102 3 93 90 96 114 3 90 96 102 105 15 90 96 102 108 15 90 96 102 111 15 168 165 171 174 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 10 147 141 -150 153 3 147 141 -150 153 11 147 141 150 156 3 144 141 150 153 10 144 141 -150 153 3 144 141 -150 153 11 144 141 150 156 3 141 150 156 159 2 141 150 156 162 2 138 132 126 165 15 138 132 141 144 19 138 132 141 147 19 138 132 141 150 15 135 132 126 165 15 135 132 141 144 19 135 132 141 147 19 135 132 141 150 15 129 126 132 135 15 129 126 132 138 15 129 126 132 141 15 129 126 165 168 10 129 126 -165 168 3 129 126 -165 168 11 129 126 165 171 3 126 132 141 144 20 126 132 141 147 20 126 165 171 174 2 123 120 126 129 3 123 120 126 132 3 123 120 126 165 3 120 126 132 135 15 120 126 132 138 15 186 183 189 192 1 186 183 -189 192 2 183 177 543 546 15 183 177 543 549 15 183 189 195 198 3 180 177 183 186 10 180 177 -183 186 3 180 177 -183 186 11 180 177 183 189 3 180 177 543 546 15 180 177 543 549 15 180 177 543 552 15 177 183 189 192 2 174 171 177 180 3 174 171 177 183 3 174 171 177 543 3 171 177 543 546 15 171 177 543 549 15 189 195 555 561 15 189 195 555 558 15 192 189 195 555 3 195 201 207 210 2 198 195 201 207 3 198 195 189 192 3 198 195 555 564 15 198 195 555 561 15 198 195 555 558 15 201 195 189 192 3 201 195 555 561 15 201 195 555 558 15 201 207 213 216 3 204 201 195 198 10 204 201 -195 198 3 204 201 -195 198 11 204 201 207 210 1 204 201 -207 210 2 246 243 249 252 1 246 243 -249 252 2 243 249 255 258 3 234 225 219 237 21 234 225 -219 237 22 231 225 219 237 21 231 225 -219 237 22 228 225 219 237 21 228 225 -219 237 22 225 219 237 240 21 225 219 -237 240 20 222 219 213 243 15 222 219 225 228 15 222 219 225 231 15 222 219 225 234 15 222 219 237 240 23 216 213 219 222 15 216 213 219 225 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1.30000000E+00 1.70000000E+00 1.20000000E+00 1.55000000E+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 1.50000000E+00 1.20000000E+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 1.70000000E+00 1.50000000E+00 1.50000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 %FLAG SCREEN %FORMAT(5E16.8) 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 7.90000000E-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 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 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 7.90000000E-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 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 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.00000000E-01 7.90000000E-01 7.20000000E-01 7.20000000E-01 7.20000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.00000000E-01 7.20000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 7.90000000E-01 7.20000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.00000000E-01 7.20000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 7.20000000E-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 8.50000000E-01 7.20000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-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 8.50000000E-01 7.20000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-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 8.50000000E-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 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 %FLAG IPOL %FORMAT(1I8) 0