%VERSION VERSION_STAMP = V0001.000 DATE = 07/08/08 14:36:45 %FLAG TITLE %FORMAT(20a4) %FLAG POINTERS %FORMAT(10I8) 128 14 46 91 102 140 228 264 0 0 707 4 91 140 264 34 66 39 24 0 0 0 0 0 0 0 0 0 33 0 0 %FLAG ATOM_NAME %FORMAT(20a4) H5T O5' C5' H5'1H5'2C4' H4' O4' C1' H1' C2' H2'1O2' HO'2N9 C4 C5 C6 O6 N1 H1 C2 N2 H21 H22 N7 N3 C8 H8 C3' H3' O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' C2' H2'1O2' HO'2N9 C4 C5 C6 N1 C2 H2 N6 H61 H62 N7 N3 C8 H8 C3' H3' O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' C2' H2'1O2' HO'2N1 C2 O2 N3 C4 C5 H5 N4 H41 H42 C6 H6 C3' H3' O3' P O1P O2P O5' C5' H5'1H5'2C4' H4' O4' C1' H1' C2' H2'1O2' HO'2N1 C2 O2 N3 C4 C5 H5 N4 H41 H42 C6 H6 C3' H3' O3' H3T %FLAG CHARGE %FORMAT(5E16.8) 7.95775130E+00 -1.14139567E+01 1.53588478E+00 1.00495984E+00 1.00495984E+00 2.42981615E+00 1.90222590E+00 -7.51812009E+00 3.70705360E+00 2.45386958E+00 1.08608552E+00 1.80109213E+00 -1.13834708E+01 7.81015067E+00 -4.48578359E-01 2.50132045E+00 3.10600926E+00 9.55703146E+00 -9.98631240E+00 -9.58782715E+00 6.46228358E+00 1.32125160E+01 -1.64799748E+01 7.21448190E+00 7.21448190E+00 -1.03975168E+01 -1.09032585E+01 2.69157949E+00 2.86075532E+00 3.54970404E+00 1.02640749E+00 -9.79324713E+00 2.22490639E+01 -1.44339203E+01 -1.44339203E+01 -9.23790432E+00 1.02735505E+00 1.22466612E+00 1.22466612E+00 1.78086538E+00 2.13627312E+00 -7.03561181E+00 2.05418166E+00 3.22784356E+00 9.92368236E-01 1.89444497E+00 -1.11397840E+01 7.72343074E+00 -8.90414467E-01 5.61203106E+00 1.56270800E+00 1.27175801E+01 -1.39905899E+01 1.10288284E+01 7.50558315E-01 -1.67768525E+01 7.41361520E+00 7.41361520E+00 -1.10881420E+01 -1.28747474E+01 3.51176521E+00 2.90492618E+00 3.91854161E+00 1.10350604E+00 -9.79324713E+00 2.22490639E+01 -1.44339203E+01 -1.44339203E+01 -9.23790432E+00 7.06059458E-01 1.37875388E+00 1.37875388E+00 1.20921361E+00 2.43562906E+00 -6.53524567E+00 3.95733689E-01 3.23553337E+00 2.12854686E+00 1.60518418E+00 -1.10012763E+01 7.60272623E+00 -4.73524688E-01 1.42704298E+01 -1.13758539E+01 -1.39845766E+01 1.50651954E+01 -9.52042286E+00 3.50130561E+00 -1.74512780E+01 7.50410714E+00 7.50410714E+00 -7.40189826E-01 4.10047306E+00 3.21503328E+00 1.27321032E+00 -9.79324713E+00 2.22490639E+01 -1.44339203E+01 -1.44339203E+01 -9.23790432E+00 7.06059458E-01 1.37875388E+00 1.37875388E+00 1.20921361E+00 2.43562906E+00 -6.53524567E+00 3.95733689E-01 3.23553337E+00 2.12854686E+00 1.60518418E+00 -1.10012763E+01 7.60272623E+00 -4.73524688E-01 1.42704298E+01 -1.13758539E+01 -1.39845766E+01 1.50651954E+01 -9.52042286E+00 3.50130561E+00 -1.74512780E+01 7.50410714E+00 7.50410714E+00 -7.40189826E-01 4.10047306E+00 3.21503328E+00 1.27321032E+00 -1.20430452E+01 8.07164067E+00 %FLAG MASS %FORMAT(5E16.8) 1.00800000E+00 1.60000000E+01 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.60000000E+01 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.40100000E+01 1.20100000E+01 1.20100000E+01 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.40100000E+01 1.00800000E+00 1.00800000E+00 1.40100000E+01 1.40100000E+01 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.60000000E+01 3.09700000E+01 1.60000000E+01 1.60000000E+01 1.60000000E+01 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.60000000E+01 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.40100000E+01 1.20100000E+01 1.20100000E+01 1.20100000E+01 1.40100000E+01 1.20100000E+01 1.00800000E+00 1.40100000E+01 1.00800000E+00 1.00800000E+00 1.40100000E+01 1.40100000E+01 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.60000000E+01 3.09700000E+01 1.60000000E+01 1.60000000E+01 1.60000000E+01 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.60000000E+01 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.40100000E+01 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.20100000E+01 1.20100000E+01 1.00800000E+00 1.40100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.60000000E+01 3.09700000E+01 1.60000000E+01 1.60000000E+01 1.60000000E+01 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.60000000E+01 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.40100000E+01 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.20100000E+01 1.20100000E+01 1.00800000E+00 1.40100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.60000000E+01 1.00800000E+00 %FLAG ATOM_TYPE_INDEX %FORMAT(10I8) 1 2 3 4 4 3 4 5 3 6 3 4 2 1 7 8 8 8 9 7 10 8 7 10 10 7 7 8 11 3 4 5 12 9 9 5 3 4 4 3 4 5 3 6 3 4 2 1 7 8 8 8 7 8 11 7 10 10 7 7 8 11 3 4 5 12 9 9 5 3 4 4 3 4 5 3 6 3 4 2 1 7 8 9 7 8 8 13 7 10 10 8 14 3 4 5 12 9 9 5 3 4 4 3 4 5 3 6 3 4 2 1 7 8 9 7 8 8 13 7 10 10 8 14 3 4 2 1 %FLAG NUMBER_EXCLUDED_ATOMS %FORMAT(10I8) 5 7 10 5 4 12 6 11 15 7 10 6 5 1 9 10 9 8 4 7 3 4 3 2 1 3 1 1 1 6 2 5 7 3 2 7 10 5 4 12 6 11 15 7 10 6 5 1 9 10 10 9 7 3 1 3 1 1 3 1 1 1 6 2 5 7 3 2 7 10 5 4 12 6 11 15 7 10 6 5 1 9 7 3 7 7 6 3 3 1 1 1 1 6 2 5 7 3 2 7 10 5 4 12 6 11 15 7 10 6 5 1 9 7 3 7 7 6 3 3 1 1 1 1 3 2 1 1 %FLAG NONBONDED_PARM_INDEX %FORMAT(10I8) 1 2 4 7 11 16 22 29 37 46 56 67 79 92 2 3 5 8 12 17 23 30 38 47 57 68 80 93 4 5 6 9 13 18 24 31 39 48 58 69 81 94 7 8 9 10 14 19 25 32 40 49 59 70 82 95 11 12 13 14 15 20 26 33 41 50 60 71 83 96 16 17 18 19 20 21 27 34 42 51 61 72 84 97 22 23 24 25 26 27 28 35 43 52 62 73 85 98 29 30 31 32 33 34 35 36 44 53 63 74 86 99 37 38 39 40 41 42 43 44 45 54 64 75 87 100 46 47 48 49 50 51 52 53 54 55 65 76 88 101 56 57 58 59 60 61 62 63 64 65 66 77 89 102 67 68 69 70 71 72 73 74 75 76 77 78 90 103 79 80 81 82 83 84 85 86 87 88 89 90 91 104 92 93 94 95 96 97 98 99 100 101 102 103 104 105 %FLAG RESIDUE_LABEL %FORMAT(20a4) RG5 RA RC RC3 %FLAG RESIDUE_POINTER %FORMAT(10I8) 1 33 66 97 %FLAG BOND_FORCE_CONSTANT %FORMAT(5E16.8) 2.30000000E+02 3.40000000E+02 3.20000000E+02 3.67000000E+02 5.29000000E+02 4.34000000E+02 4.81000000E+02 4.83000000E+02 4.34000000E+02 4.27000000E+02 5.70000000E+02 4.18000000E+02 4.47000000E+02 4.14000000E+02 5.20000000E+02 4.61000000E+02 4.36000000E+02 4.40000000E+02 5.53000000E+02 3.20000000E+02 3.10000000E+02 3.40000000E+02 3.37000000E+02 3.67000000E+02 5.02000000E+02 4.69000000E+02 5.25000000E+02 3.67000000E+02 3.67000000E+02 5.49000000E+02 4.27000000E+02 4.57000000E+02 4.24000000E+02 4.48000000E+02 %FLAG BOND_EQUIL_VALUE %FORMAT(5E16.8) 1.61000000E+00 1.09000000E+00 1.41000000E+00 1.08000000E+00 1.30400000E+00 1.01000000E+00 1.34000000E+00 1.33900000E+00 1.01000000E+00 1.38100000E+00 1.22900000E+00 1.38800000E+00 1.41900000E+00 1.39100000E+00 1.37000000E+00 1.35400000E+00 1.37400000E+00 1.37100000E+00 9.60000000E-01 1.41000000E+00 1.52600000E+00 1.09000000E+00 1.47500000E+00 1.08000000E+00 1.32400000E+00 1.40400000E+00 1.48000000E+00 1.08000000E+00 1.08000000E+00 1.35000000E+00 1.43300000E+00 1.35800000E+00 1.38300000E+00 1.36500000E+00 %FLAG ANGLE_FORCE_CONSTANT %FORMAT(5E16.8) 1.00000000E+02 4.50000000E+01 5.00000000E+01 1.00000000E+02 5.00000000E+01 3.50000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 8.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 8.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 6.30000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 5.50000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 4.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 6.00000000E+01 3.50000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 6.30000000E+01 7.00000000E+01 1.40000000E+02 5.00000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 6.30000000E+01 7.00000000E+01 8.00000000E+01 7.00000000E+01 7.00000000E+01 8.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 %FLAG ANGLE_EQUIL_VALUE %FORMAT(5E16.8) 1.88897066E+00 1.79070858E+00 1.91113635E+00 2.10312265E+00 2.14762857E+00 2.09439600E+00 2.08217869E+00 2.09439600E+00 2.05948940E+00 2.02458280E+00 2.15199189E+00 2.10486798E+00 2.26892900E+00 2.03854544E+00 2.18515316E+00 2.22878641E+00 2.24798504E+00 1.94255229E+00 1.81165254E+00 1.83957782E+00 2.08043336E+00 1.92684432E+00 1.95826026E+00 1.85354046E+00 2.20260646E+00 1.98793087E+00 2.14762857E+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 1.91113635E+00 2.19562514E+00 2.24798504E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 2.01498349E+00 2.25322103E+00 2.31081692E+00 2.06996138E+00 2.04727209E+00 2.15548255E+00 2.04727209E+00 1.93731630E+00 2.09265067E+00 2.08916001E+00 2.09614133E+00 2.08916001E+00 2.15199189E+00 2.04203610E+00 2.12057595E+00 2.13802925E+00 2.12232128E+00 2.10312265E+00 2.11010397E+00 2.06996138E+00 2.11533996E+00 2.07868803E+00 2.05250808E+00 2.11533996E+00 %FLAG DIHEDRAL_FORCE_CONSTANT %FORMAT(5E16.8) 1.20000000E+00 1.20000000E+00 2.50000000E-01 3.83333333E-01 1.65000000E+00 5.45000000E+00 2.40000000E+00 1.50000000E+00 3.00000000E+00 1.35000000E+00 2.55000000E+00 4.15000000E+00 1.00000000E+01 1.70000000E+00 4.80000000E+00 1.55555556E-01 2.50000000E-01 1.60000000E-01 0.00000000E+00 1.17500000E+00 1.44000000E-01 1.66666667E-01 0.00000000E+00 1.00000000E-01 3.83000000E-01 2.50000000E+00 6.50000000E-01 2.00000000E-01 2.50000000E-01 1.80000000E-01 3.50000000E+00 6.80000000E+00 6.65000000E+00 1.45000000E+00 4.00000000E+00 1.85000000E+00 1.10000000E+00 1.00000000E+00 1.05000000E+01 %FLAG DIHEDRAL_PERIODICITY %FORMAT(5E16.8) 1.00000000E+00 2.00000000E+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 3.00000000E+00 1.00000000E+00 3.00000000E+00 3.00000000E+00 2.00000000E+00 3.00000000E+00 3.00000000E+00 2.00000000E+00 2.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 1.00000000E+00 2.00000000E+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 %FLAG DIHEDRAL_PHASE %FORMAT(5E16.8) -1.57079700E+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 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 %FLAG SOLTY %FORMAT(5E16.8) 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 %FLAG LENNARD_JONES_ACOEF %FORMAT(5E16.8) 0.00000000E+00 0.00000000E+00 5.81803229E+05 0.00000000E+00 7.91544157E+05 1.04308023E+06 0.00000000E+00 4.66922514E+04 6.78771368E+04 3.25969625E+03 0.00000000E+00 4.58874091E+05 6.28541240E+05 3.63097246E+04 3.61397723E+05 0.00000000E+00 3.15360051E+04 4.68930885E+04 2.09814978E+03 2.44050579E+04 1.32801250E+03 0.00000000E+00 7.44975864E+05 9.95480466E+05 6.20665997E+04 5.89818288E+05 4.24594555E+04 9.44293233E+05 0.00000000E+00 7.01803794E+05 9.24822270E+05 6.01816484E+04 5.57281136E+05 4.15766412E+04 8.82619071E+05 8.19971662E+05 0.00000000E+00 4.71003287E+05 6.47841731E+05 3.69471530E+04 3.70622491E+05 2.47595516E+04 6.06829342E+05 5.74393458E+05 3.79876399E+05 0.00000000E+00 1.40467023E+03 2.56678134E+03 5.94667300E+01 1.03954408E+03 3.20009193E+01 2.12601181E+03 2.27577561E+03 1.02595236E+03 1.39982777E-01 0.00000000E+00 4.09427581E+04 5.98885646E+04 2.82099197E+03 3.17965283E+04 1.80748014E+03 5.46147253E+04 5.30987710E+04 3.23283631E+04 4.90239937E+01 2.43828624E+03 0.00000000E+00 1.98683736E+06 2.54188684E+06 1.81087383E+05 1.58759528E+06 1.27716552E+05 2.45746558E+06 2.25370349E+06 1.64263766E+06 8.41065839E+03 1.60682053E+05 6.02589390E+06 0.00000000E+00 6.00750218E+04 8.59947003E+04 4.33325458E+03 4.68711055E+04 2.82099197E+03 7.91627154E+04 7.62451550E+04 4.77908183E+04 8.90987508E+01 3.76169105E+03 2.26202022E+05 5.71629601E+03 0.00000000E+00 4.96707306E+04 7.18621074E+04 3.50301067E+03 3.86654993E+04 2.26273716E+03 6.58473870E+04 6.37148278E+04 3.93690817E+04 6.63368273E+01 3.03448006E+03 1.90880272E+05 4.64559155E+03 3.76169105E+03 %FLAG LENNARD_JONES_BCOEF %FORMAT(5E16.8) 0.00000000E+00 0.00000000E+00 6.99746810E+02 0.00000000E+00 6.93079947E+02 6.75612247E+02 0.00000000E+00 1.03606917E+02 1.06076943E+02 1.43076527E+01 0.00000000E+00 5.89183300E+02 5.85549272E+02 8.66220817E+01 4.95732238E+02 0.00000000E+00 8.51470647E+01 8.81685417E+01 1.14788417E+01 7.10161395E+01 9.13231543E+00 0.00000000E+00 7.50714425E+02 7.36907417E+02 1.13252061E+02 6.33305958E+02 9.36708259E+01 8.01323529E+02 0.00000000E+00 6.14502845E+02 5.99015525E+02 9.40505980E+01 5.19163331E+02 7.81725398E+01 6.53361429E+02 5.31102864E+02 0.00000000E+00 6.29300710E+02 6.26720080E+02 9.21192136E+01 5.29252520E+02 7.54103785E+01 6.77220874E+02 5.55666448E+02 5.64885984E+02 0.00000000E+00 1.79702257E+01 2.06278363E+01 1.93248820E+00 1.46567808E+01 1.41762397E+00 2.09604198E+01 1.82891803E+01 1.53505284E+01 9.37598976E-02 0.00000000E+00 9.59185913E+01 9.85097219E+01 1.31591746E+01 8.01410250E+01 1.05333009E+01 1.05031585E+02 8.73413012E+01 8.51921330E+01 1.73473071E+00 1.20953369E+01 0.00000000E+00 1.27682121E+03 1.22636552E+03 2.01468199E+02 1.08210555E+03 1.69194406E+02 1.34630496E+03 1.08732781E+03 1.16041466E+03 4.34187588E+01 1.87626421E+02 2.19561270E+03 0.00000000E+00 1.16187983E+02 1.18043746E+02 1.63092814E+01 9.73010751E+01 1.31591746E+01 1.26451907E+02 1.04660679E+02 1.03580945E+02 2.33864085E+00 1.50233639E+01 2.22617115E+02 1.85196588E+01 0.00000000E+00 1.05648788E+02 1.07908863E+02 1.46638650E+01 8.83744760E+01 1.17854122E+01 1.15327881E+02 9.56748258E+01 9.40124296E+01 2.01792524E+00 1.34932874E+01 2.04498832E+02 1.66953734E+01 1.50233639E+01 %FLAG BONDS_INC_HYDROGEN %FORMAT(10I8) 87 90 2 81 84 4 66 69 6 66 72 6 57 60 9 36 39 19 30 33 2 24 27 22 15 18 2 6 9 2 6 12 2 0 3 19 186 189 2 180 183 4 165 168 6 165 171 6 159 162 24 138 141 19 132 135 2 126 129 22 117 120 2 108 111 2 108 114 2 279 282 2 273 276 28 264 267 6 264 270 6 258 261 29 237 240 19 231 234 2 225 228 22 216 219 2 207 210 2 207 213 2 378 381 19 372 375 2 366 369 28 357 360 6 357 363 6 351 354 29 330 333 19 324 327 2 318 321 22 309 312 2 300 303 2 300 306 2 %FLAG BONDS_WITHOUT_HYDROGEN %FORMAT(10I8) 93 96 1 87 93 3 75 81 5 63 66 7 63 78 8 57 63 10 51 54 11 51 57 12 48 51 13 48 75 14 45 48 15 45 78 16 42 45 17 42 81 18 30 36 20 30 87 21 24 30 21 24 42 23 21 24 3 15 21 3 15 87 21 6 15 21 3 6 20 192 195 1 186 192 3 174 180 5 159 177 25 156 159 25 153 156 8 153 165 7 150 153 26 150 174 14 147 150 15 147 177 16 144 147 17 144 180 18 132 138 20 132 186 21 126 132 21 126 144 23 123 126 3 117 123 3 117 186 21 108 117 21 105 108 3 96 99 27 96 102 27 96 105 1 285 288 1 279 285 3 258 273 30 255 258 31 255 264 7 252 255 8 246 249 11 246 252 32 243 246 33 243 273 34 231 237 20 231 279 21 225 231 21 225 243 23 222 225 3 216 222 3 216 279 21 207 216 21 204 207 3 195 198 27 195 201 27 195 204 1 372 378 20 351 366 30 348 351 31 348 357 7 345 348 8 339 342 11 339 345 32 336 339 33 336 366 34 324 330 20 324 372 21 318 324 21 318 336 23 315 318 3 309 315 3 309 372 21 300 309 21 297 300 3 288 291 27 288 294 27 288 297 1 %FLAG ANGLES_INC_HYDROGEN %FORMAT(10I8) 90 87 93 3 75 81 84 5 69 66 72 6 63 66 69 8 63 66 72 8 60 57 63 9 51 57 60 14 42 81 84 27 33 30 36 29 33 30 87 30 30 36 39 32 30 87 90 30 27 24 30 34 27 24 42 35 24 30 33 30 21 24 27 39 18 15 21 3 18 15 87 30 15 87 90 30 12 6 15 30 9 6 12 42 9 6 15 30 6 15 18 30 3 6 9 29 3 6 12 29 0 3 6 32 189 186 192 3 174 180 183 5 168 165 171 6 162 159 177 43 156 159 162 43 153 165 168 8 153 165 171 8 144 180 183 27 135 132 138 29 135 132 186 30 132 138 141 32 132 186 189 30 129 126 132 34 129 126 144 35 126 132 135 30 123 126 129 39 120 117 123 3 120 117 186 30 117 186 189 30 114 108 117 30 111 108 114 42 111 108 117 30 108 117 120 30 105 108 111 3 105 108 114 3 282 279 285 3 267 264 270 6 261 258 273 52 258 273 276 54 255 258 261 55 255 264 267 8 255 264 270 8 243 273 276 64 234 231 237 29 234 231 279 30 231 237 240 32 231 279 282 30 228 225 231 34 228 225 243 35 225 231 234 30 222 225 228 39 219 216 222 3 219 216 279 30 216 279 282 30 213 207 216 30 210 207 213 42 210 207 216 30 207 216 219 30 204 207 210 3 204 207 213 3 375 372 378 29 372 378 381 32 360 357 363 6 354 351 366 52 351 366 369 54 348 351 354 55 348 357 360 8 348 357 363 8 336 366 369 64 327 324 330 29 327 324 372 30 324 330 333 32 324 372 375 30 321 318 324 34 321 318 336 35 318 324 327 30 315 318 321 39 312 309 315 3 312 309 372 30 309 372 375 30 306 300 309 30 303 300 306 42 303 300 309 30 300 309 312 30 297 300 303 3 297 300 306 3 %FLAG ANGLES_WITHOUT_HYDROGEN %FORMAT(10I8) 93 96 99 1 93 96 102 1 93 96 105 2 87 93 96 4 66 63 78 7 57 63 66 10 57 63 78 11 54 51 57 12 51 48 75 13 51 57 63 15 48 45 78 16 48 51 54 17 48 51 57 18 48 75 81 19 45 42 81 20 45 48 51 21 45 48 75 22 45 78 63 23 42 45 48 24 42 45 78 25 42 81 75 26 36 30 87 28 30 24 42 31 30 87 93 33 24 30 36 28 24 30 87 36 24 42 45 37 24 42 81 38 21 15 87 33 21 24 30 33 21 24 42 40 15 21 24 41 15 87 30 36 15 87 93 33 6 15 21 33 6 15 87 36 3 6 15 28 192 195 198 1 192 195 201 1 192 195 204 2 186 192 195 4 156 153 165 7 156 159 177 44 153 150 174 45 153 156 159 46 150 147 177 16 150 153 156 47 150 153 165 48 150 174 180 19 147 144 180 20 147 150 153 49 147 150 174 22 147 177 159 50 144 147 150 24 144 147 177 25 144 180 174 26 138 132 186 28 132 126 144 31 132 186 192 33 126 132 138 28 126 132 186 36 126 144 147 37 126 144 180 38 123 117 186 33 123 126 132 33 123 126 144 40 117 123 126 41 117 186 132 36 117 186 192 33 108 117 123 33 108 117 186 36 105 108 117 33 102 96 105 1 99 96 102 51 99 96 105 1 96 105 108 4 285 288 291 1 285 288 294 1 285 288 297 2 279 285 288 4 258 255 264 53 255 258 273 56 252 255 258 57 252 255 264 7 249 246 252 58 246 243 273 59 246 252 255 60 243 246 249 61 243 246 252 62 243 273 258 63 237 231 279 28 231 225 243 31 231 279 285 33 225 231 237 28 225 231 279 36 225 243 246 65 225 243 273 66 222 216 279 33 222 225 231 33 222 225 243 40 216 222 225 41 216 279 231 36 216 279 285 33 207 216 222 33 207 216 279 36 204 207 216 33 201 195 204 1 198 195 201 51 198 195 204 1 195 204 207 4 351 348 357 53 348 351 366 56 345 348 351 57 345 348 357 7 342 339 345 58 339 336 366 59 339 345 348 60 336 339 342 61 336 339 345 62 336 366 351 63 330 324 372 28 324 318 336 31 324 372 378 28 318 324 330 28 318 324 372 36 318 336 339 65 318 336 366 66 315 309 372 33 315 318 324 33 315 318 336 40 309 315 318 41 309 372 324 36 309 372 378 28 300 309 315 33 300 309 372 36 297 300 309 33 294 288 297 1 291 288 294 51 291 288 297 1 288 297 300 4 %FLAG DIHEDRALS_INC_HYDROGEN %FORMAT(10I8) 90 87 93 96 4 72 66 63 78 7 69 66 63 78 7 60 57 63 66 8 60 57 63 78 8 57 63 66 69 7 57 63 66 72 7 54 51 57 60 10 48 51 57 60 10 48 75 81 84 13 45 42 81 84 14 39 36 30 87 17 39 36 -30 87 18 36 30 87 90 17 36 30 -87 90 19 33 30 24 42 16 33 30 36 39 22 33 30 87 90 16 33 30 87 93 17 33 30 -87 93 19 27 24 30 33 16 27 24 30 36 16 27 24 30 87 16 27 24 42 45 23 27 24 42 81 23 24 30 36 39 17 24 30 -36 39 18 24 30 87 90 16 24 42 81 84 14 21 15 87 90 17 21 15 -87 90 19 21 24 30 33 17 21 24 -30 33 19 18 15 21 24 4 18 15 87 30 16 18 15 87 90 16 18 15 87 93 17 18 15 -87 93 19 15 21 24 27 4 15 87 30 33 16 12 6 15 18 16 12 6 15 21 17 12 6 -15 21 19 12 6 15 87 16 9 6 15 18 16 9 6 15 21 17 9 6 -15 21 19 9 6 15 87 16 6 15 87 90 16 3 6 15 18 17 3 6 -15 18 19 0 3 6 9 22 0 3 6 12 22 0 3 6 15 17 0 3 -6 15 18 189 186 192 195 4 156 153 165 168 7 156 153 165 171 7 153 156 159 162 32 150 153 165 168 7 150 153 165 171 7 150 174 180 183 13 147 144 180 183 14 147 177 159 162 32 141 138 132 186 17 141 138 -132 186 18 138 132 186 189 17 138 132 -186 189 19 135 132 126 144 16 135 132 138 141 22 135 132 186 189 16 135 132 186 192 17 135 132 -186 192 19 129 126 132 135 16 129 126 132 138 16 129 126 132 186 16 129 126 144 147 23 129 126 144 180 23 126 132 138 141 17 126 132 -138 141 18 126 132 186 189 16 126 144 180 183 14 123 117 186 189 17 123 117 -186 189 19 123 126 132 135 17 123 126 -132 135 19 120 117 123 126 4 120 117 186 132 16 120 117 186 189 16 120 117 186 192 17 120 117 -186 192 19 117 123 126 129 4 117 186 132 135 16 114 108 117 120 16 114 108 117 123 17 114 108 -117 123 19 114 108 117 186 16 111 108 117 120 16 111 108 117 123 17 111 108 -117 123 19 111 108 117 186 16 108 117 186 189 16 105 108 117 120 17 105 108 -117 120 19 96 105 108 111 4 96 105 108 114 4 282 279 285 288 4 261 258 255 264 11 261 258 273 276 33 258 255 264 267 7 258 255 264 270 7 255 258 273 276 33 252 255 258 261 11 252 255 264 267 7 252 255 264 270 7 246 243 273 276 36 243 273 258 261 33 240 237 231 279 17 240 237 -231 279 18 237 231 279 282 17 237 231 -279 282 19 234 231 225 243 16 234 231 237 240 22 234 231 279 282 16 234 231 279 285 17 234 231 -279 285 19 228 225 231 234 16 228 225 231 237 16 228 225 231 279 16 228 225 243 246 23 228 225 243 273 23 225 231 237 240 17 225 231 -237 240 18 225 231 279 282 16 225 243 273 276 36 222 216 279 282 17 222 216 -279 282 19 222 225 231 234 17 222 225 -231 234 19 219 216 222 225 4 219 216 279 231 16 219 216 279 282 16 219 216 279 285 17 219 216 -279 285 19 216 222 225 228 4 216 279 231 234 16 213 207 216 219 16 213 207 216 222 17 213 207 -216 222 19 213 207 216 279 16 210 207 216 219 16 210 207 216 222 17 210 207 -216 222 19 210 207 216 279 16 207 216 279 282 16 204 207 216 219 17 204 207 -216 219 19 195 204 207 210 4 195 204 207 213 4 375 372 378 381 22 354 351 348 357 11 354 351 366 369 33 351 348 357 360 7 351 348 357 363 7 348 351 366 369 33 345 348 351 354 11 345 348 357 360 7 345 348 357 363 7 339 336 366 369 36 336 366 351 354 33 333 330 324 372 17 333 330 -324 372 18 330 324 372 375 17 330 324 -372 375 19 327 324 318 336 16 327 324 330 333 22 327 324 372 375 16 327 324 372 378 17 327 324 -372 378 19 324 372 378 381 17 324 372 -378 381 18 321 318 324 327 16 321 318 324 330 16 321 318 324 372 16 321 318 336 339 23 321 318 336 366 23 318 324 330 333 17 318 324 -330 333 18 318 324 372 375 16 318 336 366 369 36 315 309 372 375 17 315 309 -372 375 19 315 318 324 327 17 315 318 -324 327 19 312 309 315 318 4 312 309 372 324 16 312 309 372 375 16 312 309 372 378 17 312 309 -372 378 19 309 315 318 321 4 309 372 324 327 16 309 372 378 381 17 309 372 -378 381 18 306 300 309 312 16 306 300 309 315 17 306 300 -309 315 19 306 300 309 372 16 303 300 309 312 16 303 300 309 315 17 303 300 -309 315 19 303 300 309 372 16 300 309 372 375 16 297 300 309 312 17 297 300 -309 312 19 288 297 300 303 4 288 297 300 306 4 42 75 -81 -84 37 63 69 -66 -72 38 51 63 -57 -60 38 144 174 -180 -183 37 153 168 -165 -171 38 156 177 -159 -162 37 243 258 -273 -276 37 255 267 -264 -270 38 255 273 -258 -261 37 336 351 -366 -369 37 348 360 -357 -363 38 348 366 -351 -354 37 %FLAG DIHEDRALS_WITHOUT_HYDROGEN %FORMAT(10I8) 93 96 105 108 1 93 96 -105 108 2 93 96 -105 108 3 87 93 96 99 3 87 93 96 102 3 87 93 96 105 1 87 93 -96 105 2 87 93 -96 105 3 78 45 42 81 5 75 48 45 78 6 57 51 48 75 9 54 51 48 75 9 54 51 57 63 10 51 48 45 78 6 51 48 75 81 11 51 57 63 66 8 51 57 -63 78 8 48 45 -42 81 5 48 45 78 63 12 48 51 -57 63 10 45 42 -81 75 14 45 48 51 54 9 45 48 51 57 9 45 48 -75 81 11 45 78 -63 57 15 45 78 63 66 15 42 24 30 87 16 42 45 48 51 6 42 45 -48 75 6 42 45 78 63 12 42 81 -75 48 13 36 30 24 42 16 36 30 87 93 20 36 30 -87 93 21 30 24 42 45 23 30 24 42 81 23 30 87 93 96 4 24 21 -15 87 24 24 21 -15 87 25 24 30 87 93 16 24 42 45 48 5 24 42 45 78 5 24 42 81 75 14 21 15 -87 30 16 21 15 87 93 20 21 15 -87 93 21 21 24 30 36 20 21 24 -30 36 21 21 24 -30 87 16 21 24 42 45 23 21 24 42 81 26 21 24 -42 81 23 15 21 -24 30 24 15 21 -24 30 25 15 21 24 42 27 15 21 -24 42 25 15 87 -30 24 28 15 87 -30 24 29 15 87 -30 24 30 15 87 30 36 16 15 87 93 96 4 6 15 21 24 24 6 15 -21 24 25 6 15 87 30 28 6 15 -87 30 29 6 15 -87 30 30 6 15 87 93 16 3 6 15 21 20 3 6 -15 21 21 3 6 15 87 16 192 195 204 207 1 192 195 -204 207 2 192 195 -204 207 3 186 192 195 198 3 186 192 195 201 3 186 192 195 204 1 186 192 -195 204 2 186 192 -195 204 3 177 147 144 180 5 174 150 147 177 6 165 153 150 174 31 159 156 153 165 15 156 153 150 174 31 153 150 147 177 6 153 150 174 180 11 153 156 -159 177 32 150 147 -144 180 5 150 147 177 159 12 150 153 -156 159 15 147 144 -180 174 14 147 150 153 156 31 147 150 153 165 31 147 150 -174 180 11 147 177 -159 156 32 144 126 132 186 16 144 147 150 153 6 144 147 -150 174 6 144 147 177 159 12 144 180 -174 150 13 138 132 126 144 16 138 132 186 192 20 138 132 -186 192 21 132 126 144 147 23 132 126 144 180 23 132 186 192 195 4 126 123 -117 186 24 126 123 -117 186 25 126 132 186 192 16 126 144 147 150 5 126 144 147 177 5 126 144 180 174 14 123 117 -186 132 16 123 117 186 192 20 123 117 -186 192 21 123 126 132 138 20 123 126 -132 138 21 123 126 -132 186 16 123 126 144 147 23 123 126 144 180 26 123 126 -144 180 23 117 123 -126 132 24 117 123 -126 132 25 117 123 126 144 27 117 123 -126 144 25 117 186 -132 126 28 117 186 -132 126 29 117 186 -132 126 30 117 186 132 138 16 117 186 192 195 4 108 117 123 126 24 108 117 -123 126 25 108 117 186 132 28 108 117 -186 132 29 108 117 -186 132 30 108 117 186 192 16 105 108 117 123 20 105 108 -117 123 21 105 108 117 186 16 102 96 105 108 3 99 96 105 108 3 96 105 108 117 4 285 288 297 300 1 285 288 -297 300 2 285 288 -297 300 3 279 285 288 291 3 279 285 288 294 3 279 285 288 297 1 279 285 -288 297 2 279 285 -288 297 3 264 255 258 273 11 252 246 243 273 34 252 255 -258 273 11 249 246 243 273 34 249 246 252 255 35 246 243 273 258 36 246 252 -255 258 15 246 252 255 264 15 243 225 231 279 16 243 246 252 255 35 243 273 -258 255 33 237 231 225 243 16 237 231 279 285 20 237 231 -279 285 21 231 225 243 246 23 231 225 243 273 23 231 279 285 288 4 225 222 -216 279 24 225 222 -216 279 25 225 231 279 285 16 225 243 246 249 34 225 243 246 252 34 225 243 273 258 36 222 216 -279 231 16 222 216 279 285 20 222 216 -279 285 21 222 225 231 237 20 222 225 -231 237 21 222 225 -231 279 16 222 225 243 246 23 222 225 243 273 26 222 225 -243 273 23 216 222 -225 231 24 216 222 -225 231 25 216 222 225 243 27 216 222 -225 243 25 216 279 -231 225 28 216 279 -231 225 29 216 279 -231 225 30 216 279 231 237 16 216 279 285 288 4 207 216 222 225 24 207 216 -222 225 25 207 216 279 231 28 207 216 -279 231 29 207 216 -279 231 30 207 216 279 285 16 204 207 216 222 20 204 207 -216 222 21 204 207 216 279 16 201 195 204 207 3 198 195 204 207 3 195 204 207 216 4 357 348 351 366 11 345 339 336 366 34 345 348 -351 366 11 342 339 336 366 34 342 339 345 348 35 339 336 366 351 36 339 345 -348 351 15 339 345 348 357 15 336 318 324 372 16 336 339 345 348 35 336 366 -351 348 33 330 324 318 336 16 330 324 372 378 20 330 324 -372 378 21 324 318 336 339 23 324 318 336 366 23 318 315 -309 372 24 318 315 -309 372 25 318 324 372 378 16 318 336 339 342 34 318 336 339 345 34 318 336 366 351 36 315 309 -372 324 16 315 309 372 378 20 315 309 -372 378 21 315 318 324 330 20 315 318 -324 330 21 315 318 -324 372 16 315 318 336 339 23 315 318 336 366 26 315 318 -336 366 23 309 315 -318 324 24 309 315 -318 324 25 309 315 318 336 27 309 315 -318 336 25 309 372 -324 318 28 309 372 -324 318 29 309 372 -324 318 30 309 372 324 330 16 300 309 315 318 24 300 309 -315 318 25 300 309 372 324 28 300 309 -372 324 29 300 309 -372 324 30 300 309 372 378 16 297 300 309 315 20 297 300 -309 315 21 297 300 309 372 16 294 288 297 300 3 291 288 297 300 3 288 297 300 309 4 66 57 -63 -78 37 48 57 -51 -54 39 45 81 -42 -24 38 150 165 -153 -156 37 147 180 -144 -126 38 258 264 -255 -252 37 243 252 -246 -249 39 246 273 -243 -225 38 351 357 -348 -345 37 336 345 -339 -342 39 339 366 -336 -318 38 %FLAG EXCLUDED_ATOMS_LIST %FORMAT(10I8) 2 3 4 5 6 3 4 5 6 7 8 30 4 5 6 7 8 9 11 30 31 32 5 6 7 8 30 6 7 8 30 7 8 9 10 11 12 13 15 30 31 32 33 8 9 11 30 31 32 9 10 11 12 13 15 16 28 30 31 32 10 11 12 13 14 15 16 17 26 27 28 29 30 31 32 11 12 13 15 16 28 30 12 13 14 15 16 28 30 31 32 33 13 14 15 30 31 32 14 15 30 31 32 30 16 17 18 22 26 27 28 29 30 17 18 19 20 22 23 26 27 28 29 18 19 20 21 22 26 27 28 29 19 20 21 22 23 26 27 28 20 21 22 26 21 22 23 24 25 26 27 22 23 27 23 24 25 27 24 25 27 25 27 27 27 28 29 28 29 0 31 32 33 34 35 36 32 33 33 34 35 36 37 34 35 36 37 38 39 40 35 36 37 36 37 37 38 39 40 41 42 63 38 39 40 41 42 43 45 63 64 65 39 40 41 42 63 40 41 42 63 41 42 43 44 45 46 47 49 63 64 65 66 42 43 45 63 64 65 43 44 45 46 47 49 50 61 63 64 65 44 45 46 47 48 49 50 51 59 60 61 62 63 64 65 45 46 47 49 50 61 63 46 47 48 49 50 61 63 64 65 66 47 48 49 63 64 65 48 49 63 64 65 63 50 51 52 54 59 60 61 62 63 51 52 53 54 55 56 59 60 61 62 52 53 54 56 57 58 59 60 61 62 53 54 55 56 57 58 59 60 61 54 55 56 57 58 59 60 55 56 60 60 57 58 59 58 0 60 61 62 61 62 0 64 65 66 67 68 69 65 66 66 67 68 69 70 67 68 69 70 71 72 73 68 69 70 69 70 70 71 72 73 74 75 94 71 72 73 74 75 76 78 94 95 96 72 73 74 75 94 73 74 75 94 74 75 76 77 78 79 80 82 94 95 96 97 75 76 78 94 95 96 76 77 78 79 80 82 83 92 94 95 96 77 78 79 80 81 82 83 84 85 87 92 93 94 95 96 78 79 80 82 83 92 94 79 80 81 82 83 92 94 95 96 97 80 81 82 94 95 96 81 82 94 95 96 94 83 84 85 86 87 88 92 93 94 84 85 86 87 89 92 93 85 86 92 86 87 88 89 90 91 92 87 88 89 90 91 92 93 88 89 90 91 92 93 89 92 93 90 91 92 91 0 93 0 95 96 97 98 99 100 96 97 97 98 99 100 101 98 99 100 101 102 103 104 99 100 101 100 101 101 102 103 104 105 106 125 102 103 104 105 106 107 109 125 126 127 103 104 105 106 125 104 105 106 125 105 106 107 108 109 110 111 113 125 126 127 128 106 107 109 125 126 127 107 108 109 110 111 113 114 123 125 126 127 108 109 110 111 112 113 114 115 116 118 123 124 125 126 127 109 110 111 113 114 123 125 110 111 112 113 114 123 125 126 127 128 111 112 113 125 126 127 112 113 125 126 127 125 114 115 116 117 118 119 123 124 125 115 116 117 118 120 123 124 116 117 123 117 118 119 120 121 122 123 118 119 120 121 122 123 124 119 120 121 122 123 124 120 123 124 121 122 123 122 0 124 0 126 127 128 127 128 128 0 %FLAG HBOND_ACOEF %FORMAT(5E16.8) %FLAG HBOND_BCOEF %FORMAT(5E16.8) %FLAG HBCUT %FORMAT(5E16.8) %FLAG AMBER_ATOM_TYPE %FORMAT(20a4) HO OH CT H1 H1 CT H1 OS CT H2 CT H1 OH HO N* CB CB C O NA H CA N2 H H NB NC CK H5 CT H1 OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 CT H1 OH HO N* CB CB CA NC CQ H5 N2 H H NB NC CK H5 CT H1 OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 CT H1 OH HO N* C O NC CA CM HA N2 H H CM H4 CT H1 OS P O2 O2 OS CT H1 H1 CT H1 OS CT H2 CT H1 OH HO N* C O NC CA CM HA N2 H H CM H4 CT H1 OH HO %FLAG TREE_CHAIN_CLASSIFICATION %FORMAT(20a4) M M M E E M E S 3 E B E S E B B B B E B E S B E E E E S E M E M M E E M M E E M E S 3 E B E S E B B B B S S E B E E E E S E M E M M E E M M E E M E S 3 E B E S E B B E S B S E B E E S E M E M M E E M M E E M E S 3 E B E S E B B E S B S E B E E S E M E M M %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 %FLAG IROTAT %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 %FLAG RADIUS_SET %FORMAT(1a80) modified Bondi radii (mbondi) %FLAG RADII %FORMAT(5E16.8) 8.00000000E-01 1.50000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.50000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.50000000E+00 8.00000000E-01 1.55000000E+00 1.70000000E+00 1.70000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.55000000E+00 1.30000000E+00 1.30000000E+00 1.55000000E+00 1.55000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.50000000E+00 1.85000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.50000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.50000000E+00 8.00000000E-01 1.55000000E+00 1.70000000E+00 1.70000000E+00 1.70000000E+00 1.55000000E+00 1.70000000E+00 1.30000000E+00 1.55000000E+00 1.30000000E+00 1.30000000E+00 1.55000000E+00 1.55000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.50000000E+00 1.85000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.50000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.50000000E+00 8.00000000E-01 1.55000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.70000000E+00 1.70000000E+00 1.30000000E+00 1.55000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.50000000E+00 1.85000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.50000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.50000000E+00 8.00000000E-01 1.55000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.70000000E+00 1.70000000E+00 1.30000000E+00 1.55000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.50000000E+00 8.00000000E-01 %FLAG SCREEN %FORMAT(5E16.8) 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.90000000E-01 7.20000000E-01 7.20000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 7.90000000E-01 8.50000000E-01 8.50000000E-01 7.90000000E-01 7.90000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.60000000E-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 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.90000000E-01 7.20000000E-01 7.20000000E-01 7.20000000E-01 7.90000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 8.50000000E-01 7.90000000E-01 7.90000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.60000000E-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 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.90000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 7.20000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.60000000E-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 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.90000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 7.20000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-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