%VERSION VERSION_STAMP = V0001.000 DATE = 01/12/12 15:26:11 %FLAG TITLE %FORMAT(20a4) %FLAG POINTERS %FORMAT(10I8) 408 14 203 209 463 280 862 672 0 0 2233 26 209 280 672 29 59 36 22 0 0 0 0 0 0 0 0 0 23 0 0 %FLAG ATOM_NAME %FORMAT(20a4) N H1 H2 H3 CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ OH HH CE2 HE2 CD2 HD2 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C O N H CA HA CB HB2 HB3 CG ND1 CE1 HE1 NE2 HE2 CD2 HD2 C O N H CA HA CB HB2 HB3 CG ND1 CE1 HE1 NE2 HE2 CD2 HD2 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 NE2 HE21HE22C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13 CD2 HD21HD22HD23C O N H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23 C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ HZ CE2 HE2 CD2 HD2 C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ HZ CE2 HE2 CD2 HD2 C O N H CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N H CA HA CB HB2 HB3 CG OD1 OD2 C O N H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C O N H CA HA2 HA3 C O N H CA HA CB HB2 HB3 OG HG C O N H CA HA CB HB2 HB3 CG OD1 ND2 HD21HD22C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA2 HA3 C O N H CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB CG2 HG21HG22HG23CG1 HG12HG13CD1 HD11HD12HD13C O N H CA HA CB HB CG2 HG21HG22HG23CG1 HG12HG13CD1 HD11 HD12HD13C O N H CA HA2 HA3 C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB2 HB3 CG HG2 HG3 SD CE HE1 HE2 HE3 C O OXT %FLAG CHARGE %FORMAT(5E16.8) 3.53512620E+00 3.41303679E+00 3.41303679E+00 3.41303679E+00 1.03867110E+00 1.79125209E+00 1.20084957E+00 1.85867460E-01 1.85867460E-01 -3.73557150E-01 -3.64810446E+00 3.13423560E+00 -4.07997297E+00 3.00667950E+00 5.71997997E+00 -1.01643989E+01 7.29074223E+00 -4.07997297E+00 3.00667950E+00 -3.64810446E+00 3.13423560E+00 1.11575143E+01 -1.04104000E+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 9.77808618E+00 -1.06035564E+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 -7.57501011E+00 4.95464337E+00 -1.05871563E+00 2.47823280E+00 -1.34845020E-01 6.68758410E-01 6.68758410E-01 3.40392564E+00 -9.89835336E+00 2.97934605E+00 2.61490005E+00 -5.09313285E+00 6.08442597E+00 -4.02166161E+00 3.39299226E+00 1.08841798E+01 -1.03484442E+01 -7.57501011E+00 4.95464337E+00 -1.05871563E+00 2.47823280E+00 -1.34845020E-01 6.68758410E-01 6.68758410E-01 3.40392564E+00 -9.89835336E+00 2.97934605E+00 2.61490005E+00 -5.09313285E+00 6.08442597E+00 -4.02166161E+00 3.39299226E+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 -6.33953817E+00 5.00566581E+00 -4.37335200E+00 2.59849998E+00 -1.71289620E-01 6.59647260E-01 6.59647260E-01 3.40757010E-01 1.87689690E-01 1.87689690E-01 -8.72848170E-01 1.13160483E+00 1.13160483E+00 -2.60578890E-01 2.06823105E+00 2.06823105E+00 -7.02287442E+00 6.19558200E+00 6.19558200E+00 6.19558200E+00 1.33769904E+01 -1.07402236E+01 -7.57501011E+00 4.95464337E+00 -9.43915140E-01 1.68009606E+00 -2.00809746E+00 8.32759110E-01 8.32759110E-01 6.43429413E+00 -6.57825030E-01 -7.50940983E+00 1.82223000E+00 1.82223000E+00 1.82223000E+00 -7.50940983E+00 1.82223000E+00 1.82223000E+00 1.82223000E+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 -7.57501011E+00 4.95464337E+00 -4.37335200E-02 1.78214094E+00 -6.25024890E-01 5.37557850E-01 5.37557850E-01 2.15023140E-01 -2.28872088E+00 2.42356590E+00 -3.10507992E+00 2.60578890E+00 -1.95343056E+00 2.36343231E+00 -3.10507992E+00 2.60578890E+00 -2.28872088E+00 2.42356590E+00 1.08841798E+01 -1.03484442E+01 -7.57501011E+00 4.95464337E+00 -4.37335200E-02 1.78214094E+00 -6.25024890E-01 5.37557850E-01 5.37557850E-01 2.15023140E-01 -2.28872088E+00 2.42356590E+00 -3.10507992E+00 2.60578890E+00 -1.95343056E+00 2.36343231E+00 -3.10507992E+00 2.60578890E+00 -2.28872088E+00 2.42356590E+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 -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 9.77808618E+00 -1.06035564E+01 -9.40817349E+00 5.35006728E+00 6.94269630E-01 1.60356240E+00 -5.52135690E-01 -2.22312060E-01 -2.22312060E-01 1.45669066E+01 -1.46033512E+01 -1.46033512E+01 9.77808618E+00 -1.06035564E+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 -7.57501011E+00 4.95464337E+00 -4.59201960E-01 1.27191654E+00 1.27191654E+00 1.08841798E+01 -1.03484442E+01 -7.57501011E+00 4.95464337E+00 -4.53735270E-01 1.53613989E+00 3.85766091E+00 6.41424960E-01 6.41424960E-01 -1.19283176E+01 7.79003325E+00 1.08841798E+01 -1.03484442E+01 -7.57501011E+00 4.95464337E+00 2.60578890E-01 1.90969704E+00 -3.71917143E+00 1.45231731E+00 1.45231731E+00 1.29924999E+01 -1.08076461E+01 -1.67481159E+01 7.64607708E+00 7.64607708E+00 1.08841798E+01 -1.03484442E+01 -6.33953817E+00 5.00566581E+00 -4.37335200E+00 2.59849998E+00 -1.71289620E-01 6.59647260E-01 6.59647260E-01 3.40757010E-01 1.87689690E-01 1.87689690E-01 -8.72848170E-01 1.13160483E+00 1.13160483E+00 -2.60578890E-01 2.06823105E+00 2.06823105E+00 -7.02287442E+00 6.19558200E+00 6.19558200E+00 6.19558200E+00 1.33769904E+01 -1.07402236E+01 -7.57501011E+00 4.95464337E+00 -4.59201960E-01 1.27191654E+00 1.27191654E+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 -1.08787131E+00 1.58351787E+00 2.37436569E+00 3.40757010E-01 -5.83842492E+00 1.60720686E+00 1.60720686E+00 1.60720686E+00 -7.83558900E-01 4.30046280E-01 4.30046280E-01 -1.20267180E+00 3.38934780E-01 3.38934780E-01 3.38934780E-01 1.08841798E+01 -1.03484442E+01 -7.57501011E+00 4.95464337E+00 -1.08787131E+00 1.58351787E+00 2.37436569E+00 3.40757010E-01 -5.83842492E+00 1.60720686E+00 1.60720686E+00 1.60720686E+00 -7.83558900E-01 4.30046280E-01 4.30046280E-01 -1.20267180E+00 3.38934780E-01 3.38934780E-01 3.38934780E-01 1.08841798E+01 -1.03484442E+01 -7.57501011E+00 4.95464337E+00 -4.59201960E-01 1.27191654E+00 1.27191654E+00 1.08841798E+01 -1.03484442E+01 -7.57501011E+00 4.95464337E+00 -9.43915140E-01 1.68009606E+00 -2.00809746E+00 8.32759110E-01 8.32759110E-01 6.43429413E+00 -6.57825030E-01 -7.50940983E+00 1.82223000E+00 1.82223000E+00 1.82223000E+00 -7.50940983E+00 1.82223000E+00 1.82223000E+00 1.82223000E+00 1.08841798E+01 -1.03484442E+01 -6.96274083E+00 4.88539863E+00 -4.73233131E+00 2.32698771E+00 -4.30046280E-01 8.74670400E-01 8.74670400E-01 8.96537160E-01 5.77646910E-01 5.77646910E-01 -4.90544316E+00 -6.85158480E-01 1.13889375E+00 1.13889375E+00 1.13889375E+00 1.46015290E+01 -1.47691742E+01 -1.47691742E+01 %FLAG MASS %FORMAT(5E16.8) 1.40100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.60000000E+01 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.40100000E+01 1.20100000E+01 1.00800000E+00 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 1.20100000E+01 1.40100000E+01 1.20100000E+01 1.00800000E+00 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 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.40100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+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 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.60000000E+01 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.60000000E+01 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.40100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 3.20600000E+01 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 6 6 7 6 7 6 8 9 6 7 6 7 6 10 1 2 3 11 3 5 5 3 5 5 6 10 10 6 10 1 2 3 11 3 5 3 5 5 5 3 5 5 5 6 10 1 2 3 11 3 5 5 6 1 6 12 1 2 6 13 6 10 1 2 3 11 3 5 5 6 1 6 12 1 2 6 13 6 10 1 2 3 11 3 5 5 3 5 5 6 10 1 2 2 6 10 1 2 3 11 3 5 5 3 5 5 3 5 5 3 4 4 1 2 2 2 6 10 1 2 3 11 3 5 5 3 5 3 5 5 5 3 5 5 5 6 10 1 2 3 11 3 5 3 5 5 5 3 5 5 5 6 10 1 2 3 11 3 5 5 6 6 7 6 7 6 7 6 7 6 7 6 10 1 2 3 11 3 5 5 6 6 7 6 7 6 7 6 7 6 7 6 10 1 2 3 11 3 5 5 5 6 10 1 2 3 11 3 5 5 3 5 5 6 10 10 6 10 1 2 3 11 3 5 5 6 10 10 6 10 1 2 3 11 3 5 3 5 5 5 3 5 5 5 6 10 1 2 3 11 11 6 10 1 2 3 11 3 11 11 8 9 6 10 1 2 3 11 3 5 5 6 10 1 2 2 6 10 1 2 3 11 3 5 5 3 5 5 3 5 5 3 4 4 1 2 2 2 6 10 1 2 3 11 11 6 10 1 2 3 11 3 5 5 5 6 10 1 2 3 11 3 5 3 5 5 5 3 5 5 3 5 5 5 6 10 1 2 3 11 3 5 3 5 5 5 3 5 5 3 5 5 5 6 10 1 2 3 11 11 6 10 1 2 3 11 3 5 5 3 5 3 5 5 5 3 5 5 5 6 10 1 2 3 11 3 5 5 3 11 11 14 3 11 11 11 6 10 10 %FLAG NUMBER_EXCLUDED_ATOMS %FORMAT(10I8) 12 6 5 4 12 7 12 5 4 10 8 4 7 3 6 4 1 3 2 1 1 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 12 7 11 5 4 8 6 5 3 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 13 7 11 6 5 8 4 3 4 3 2 1 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 12 7 12 5 4 10 8 4 6 3 5 3 3 2 1 1 7 3 10 4 12 7 12 5 4 10 8 4 6 3 5 3 3 2 1 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 12 7 8 5 4 3 1 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 7 4 7 4 3 7 3 10 4 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 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 7 4 7 4 3 7 3 10 4 10 7 6 3 2 1 7 3 10 4 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 7 4 7 4 3 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 10 4 11 7 10 6 5 8 3 2 4 3 2 1 1 2 1 1 %FLAG NONBONDED_PARM_INDEX %FORMAT(10I8) 1 2 4 7 11 16 22 29 37 46 56 67 79 92 2 3 5 8 12 17 23 30 38 47 57 68 80 93 4 5 6 9 13 18 24 31 39 48 58 69 81 94 7 8 9 10 14 19 25 32 40 49 59 70 82 95 11 12 13 14 15 20 26 33 41 50 60 71 83 96 16 17 18 19 20 21 27 34 42 51 61 72 84 97 22 23 24 25 26 27 28 35 43 52 62 73 85 98 29 30 31 32 33 34 35 36 44 53 63 74 86 99 37 38 39 40 41 42 43 44 45 54 64 75 87 100 46 47 48 49 50 51 52 53 54 55 65 76 88 101 56 57 58 59 60 61 62 63 64 65 66 77 89 102 67 68 69 70 71 72 73 74 75 76 77 78 90 103 79 80 81 82 83 84 85 86 87 88 89 90 91 104 92 93 94 95 96 97 98 99 100 101 102 103 104 105 %FLAG RESIDUE_LABEL %FORMAT(20a4) TYR GLU VAL HIE HIE GLN LYS LEU VAL PHE PHE ALA GLU ASP VAL GLY SER ASN LYS GLY ALA ILE ILE GLY LEU MET %FLAG RESIDUE_POINTER %FORMAT(10I8) 1 24 39 55 72 89 106 128 147 163 183 203 213 228 240 256 263 274 288 310 317 327 346 365 372 391 %FLAG BOND_FORCE_CONSTANT %FORMAT(5E16.8) 5.70000000E+02 4.90000000E+02 3.67000000E+02 4.69000000E+02 5.53000000E+02 4.50000000E+02 4.69000000E+02 3.40000000E+02 3.17000000E+02 3.40000000E+02 3.10000000E+02 3.17000000E+02 4.34000000E+02 3.67000000E+02 6.56000000E+02 3.40000000E+02 4.34000000E+02 3.37000000E+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 3.20000000E+02 2.27000000E+02 %FLAG BOND_EQUIL_VALUE %FORMAT(5E16.8) 1.22900000E+00 1.33500000E+00 1.08000000E+00 1.40000000E+00 9.60000000E-01 1.36400000E+00 1.40900000E+00 1.09000000E+00 1.51000000E+00 1.09000000E+00 1.52600000E+00 1.52200000E+00 1.01000000E+00 1.47100000E+00 1.25000000E+00 1.09000000E+00 1.01000000E+00 1.44900000E+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 1.41000000E+00 1.81000000E+00 %FLAG ANGLE_FORCE_CONSTANT %FORMAT(5E16.8) 8.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 6.30000000E+01 6.30000000E+01 6.30000000E+01 5.00000000E+01 3.50000000E+01 6.30000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 6.30000000E+01 8.00000000E+01 7.00000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 8.00000000E+01 8.00000000E+01 8.00000000E+01 5.00000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 4.00000000E+01 5.00000000E+01 5.00000000E+01 8.00000000E+01 6.30000000E+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 7.00000000E+01 7.00000000E+01 6.30000000E+01 3.50000000E+01 3.50000000E+01 3.50000000E+01 5.00000000E+01 5.50000000E+01 5.00000000E+01 5.00000000E+01 6.20000000E+01 5.00000000E+01 %FLAG ANGLE_EQUIL_VALUE %FORMAT(5E16.8) 2.14501057E+00 2.09439600E+00 2.12755727E+00 2.09439600E+00 2.09439600E+00 1.97222290E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 1.91113635E+00 1.91113635E+00 1.93906163E+00 2.09439600E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.98967620E+00 2.10137732E+00 2.03505478E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.94080696E+00 1.94080696E+00 2.19911580E+00 1.91113635E+00 2.04203610E+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 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 2.09439600E+00 2.09439600E+00 1.97396823E+00 2.09439600E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.89368305E+00 1.91113635E+00 1.91113635E+00 1.72613137E+00 2.00189351E+00 %FLAG DIHEDRAL_FORCE_CONSTANT %FORMAT(5E16.8) 2.00000000E+00 2.50000000E+00 0.00000000E+00 2.00000000E+00 4.00000000E-01 0.00000000E+00 0.00000000E+00 2.70000000E-01 4.20000000E-01 3.62500000E+00 2.30000000E+00 1.55555556E-01 2.00000000E-01 2.00000000E-01 1.50000000E-01 8.00000000E-01 8.00000000E-02 1.60000000E-01 4.50000000E-01 1.58000000E+00 5.50000000E-01 1.50000000E+00 2.32500000E+00 2.40000000E+00 5.37500000E+00 5.00000000E+00 2.00000000E-01 2.50000000E-01 1.80000000E-01 1.66666667E-01 2.50000000E-01 0.00000000E+00 3.33333333E-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 2.00000000E+00 2.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 1.00000000E+00 3.00000000E+00 3.00000000E+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 1.00000000E+00 2.00000000E+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 %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 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 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 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 %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 7.91627154E+04 8.90987508E+01 8.59947003E+04 1.21014911E+03 6.55825601E+03 7.62451550E+04 5.71629601E+03 7.44975864E+05 1.40467023E+03 7.91544157E+05 1.45985502E+04 6.82786631E+04 7.01803794E+05 6.00750218E+04 5.81803229E+05 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 6.06829342E+05 1.02595236E+03 6.47841731E+05 1.12780457E+04 5.44261042E+04 5.74393458E+05 4.77908183E+04 4.71003287E+05 0.00000000E+00 3.79876399E+05 6.20665997E+04 5.94667300E+01 6.78771368E+04 8.79040886E+02 4.98586848E+03 6.01816484E+04 4.33325458E+03 4.66922514E+04 0.00000000E+00 3.69471530E+04 3.25969625E+03 5.46147253E+04 4.90239937E+01 5.98885646E+04 7.50063100E+02 4.33325458E+03 5.30987710E+04 3.76169105E+03 4.09427581E+04 0.00000000E+00 3.23283631E+04 2.82099197E+03 2.43828624E+03 6.58473870E+04 6.63368273E+01 7.18621074E+04 9.55000044E+02 5.34045360E+03 6.37148278E+04 4.64559155E+03 4.96707306E+04 0.00000000E+00 3.93690817E+04 3.50301067E+03 3.03448006E+03 3.76169105E+03 2.01562190E+06 5.97860700E+03 2.09861767E+06 4.93469320E+04 2.02461849E+05 1.86068943E+06 1.79647996E+05 1.61587928E+06 0.00000000E+00 1.32911052E+06 1.42791446E+05 1.26338489E+05 1.50848032E+05 4.19430400E+06 %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 1.26451907E+02 2.33864085E+00 1.18043746E+02 8.61880722E+00 2.00642027E+01 1.04660679E+02 1.85196588E+01 7.50714425E+02 1.79702257E+01 6.93079947E+02 5.79323581E+01 1.25287818E+02 6.14502845E+02 1.16187983E+02 6.99746810E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 6.77220874E+02 1.53505284E+01 6.26720080E+02 5.08951803E+01 1.11805549E+02 5.55666448E+02 1.03580945E+02 6.29300710E+02 0.00000000E+00 5.64885984E+02 1.13252061E+02 1.93248820E+00 1.06076943E+02 7.42992380E+00 1.76949863E+01 9.40505980E+01 1.63092814E+01 1.03606917E+02 0.00000000E+00 9.21192136E+01 1.43076527E+01 1.05031585E+02 1.73473071E+00 9.85097219E+01 6.78541827E+00 1.63092814E+01 8.73413012E+01 1.50233639E+01 9.59185913E+01 0.00000000E+00 8.51921330E+01 1.31591746E+01 1.20953369E+01 1.15327881E+02 2.01792524E+00 1.07908863E+02 7.65648470E+00 1.81057616E+01 9.56748258E+01 1.66953734E+01 1.05648788E+02 0.00000000E+00 9.40124296E+01 1.46638650E+01 1.34932874E+01 1.50233639E+01 1.28923404E+03 3.87070358E+01 1.17824605E+03 1.11203892E+02 2.25248294E+02 1.04466382E+03 2.09772716E+02 1.21753341E+03 0.00000000E+00 1.10369829E+03 1.89165096E+02 1.75916126E+02 1.92224012E+02 2.04800000E+03 %FLAG BONDS_INC_HYDROGEN %FORMAT(10I8) 57 60 3 51 54 3 45 48 5 36 39 3 30 33 3 18 21 8 18 24 8 12 15 10 0 3 13 0 6 13 0 9 13 90 93 8 90 96 8 81 84 8 81 87 8 75 78 16 69 72 17 144 147 8 144 150 8 144 153 8 132 135 8 132 138 8 132 141 8 126 129 8 120 123 16 114 117 17 201 204 19 195 198 20 189 192 22 174 177 8 174 180 8 168 171 16 162 165 17 252 255 19 246 249 20 240 243 22 225 228 8 225 231 8 219 222 16 213 216 17 300 303 17 300 306 17 285 288 8 285 291 8 276 279 8 276 282 8 270 273 16 264 267 17 363 366 13 363 369 13 363 372 13 354 357 10 354 360 10 345 348 8 345 351 8 336 339 8 336 342 8 327 330 8 327 333 8 321 324 16 315 318 17 420 423 8 420 426 8 420 429 8 408 411 8 408 414 8 408 417 8 402 405 8 393 396 8 393 399 8 387 390 16 381 384 17 468 471 8 468 474 8 468 477 8 456 459 8 456 462 8 456 465 8 450 453 8 444 447 16 438 441 17 534 537 3 528 531 3 522 525 3 516 519 3 510 513 3 498 501 8 498 504 8 492 495 16 486 489 17 594 597 3 588 591 3 582 585 3 576 579 3 570 573 3 558 561 8 558 564 8 552 555 16 546 549 17 618 621 8 618 624 8 618 627 8 612 615 16 606 609 17 657 660 8 657 663 8 648 651 8 648 654 8 642 645 16 636 639 17 693 696 8 693 699 8 687 690 16 681 684 17 747 750 8 747 753 8 747 756 8 735 738 8 735 741 8 735 744 8 729 732 8 723 726 16 717 720 17 771 774 16 771 777 16 765 768 17 807 810 5 798 801 16 798 804 16 792 795 16 786 789 17 846 849 17 846 852 17 831 834 8 831 837 8 825 828 16 819 822 17 909 912 13 909 915 13 909 918 13 900 903 10 900 906 10 891 894 8 891 897 8 882 885 8 882 888 8 873 876 8 873 879 8 867 870 16 861 864 17 933 936 16 933 939 16 927 930 17 960 963 8 960 966 8 960 969 8 954 957 16 948 951 17 1017 1020 8 1017 1023 8 1017 1026 8 1008 1011 8 1008 1014 8 996 999 8 996 1002 8 996 1005 8 990 993 8 984 987 16 978 981 17 1074 1077 8 1074 1080 8 1074 1083 8 1065 1068 8 1065 1071 8 1053 1056 8 1053 1059 8 1053 1062 8 1047 1050 8 1041 1044 16 1035 1038 17 1098 1101 16 1098 1104 16 1092 1095 17 1152 1155 8 1152 1158 8 1152 1161 8 1140 1143 8 1140 1146 8 1140 1149 8 1134 1137 8 1125 1128 8 1125 1131 8 1119 1122 16 1113 1116 17 1203 1206 16 1203 1209 16 1203 1212 16 1191 1194 16 1191 1197 16 1182 1185 8 1182 1188 8 1176 1179 16 1170 1173 17 %FLAG BONDS_WITHOUT_HYDROGEN %FORMAT(10I8) 63 66 1 63 69 2 51 57 4 42 45 6 42 51 7 36 42 7 30 36 4 27 30 4 27 57 4 18 27 9 12 18 11 12 63 12 0 12 14 108 111 1 108 114 2 99 102 15 99 105 15 90 99 12 81 90 11 75 81 11 75 108 12 69 75 18 156 159 1 156 162 2 126 132 11 126 144 11 120 126 11 120 156 12 114 120 18 207 210 1 207 213 2 195 201 21 189 195 23 186 189 24 183 186 25 183 201 26 174 183 27 168 174 11 168 207 12 162 168 18 258 261 1 258 264 2 246 252 21 240 246 23 237 240 24 234 237 25 234 252 26 225 234 27 219 225 11 219 258 12 213 219 18 309 312 1 309 315 2 294 297 1 294 300 2 285 294 12 276 285 11 270 276 11 270 309 12 264 270 18 375 378 1 375 381 2 354 363 14 345 354 11 336 345 11 327 336 11 321 327 11 321 375 12 315 321 18 432 435 1 432 438 2 402 408 11 402 420 11 393 402 11 387 393 11 387 432 12 381 387 18 480 483 1 480 486 2 450 456 11 450 468 11 444 450 11 444 480 12 438 444 18 540 543 1 540 546 2 528 534 4 522 528 4 516 522 4 510 516 4 507 510 4 507 534 4 498 507 9 492 498 11 492 540 12 486 492 18 600 603 1 600 606 2 588 594 4 582 588 4 576 582 4 570 576 4 567 570 4 567 594 4 558 567 9 552 558 11 552 600 12 546 552 18 630 633 1 630 636 2 612 618 11 612 630 12 606 612 18 675 678 1 675 681 2 666 669 15 666 672 15 657 666 12 648 657 11 642 648 11 642 675 12 636 642 18 711 714 1 711 717 2 702 705 15 702 708 15 693 702 12 687 693 11 687 711 12 681 687 18 759 762 1 759 765 2 729 735 11 729 747 11 723 729 11 723 759 12 717 723 18 780 783 1 780 786 2 771 780 12 765 771 18 813 816 1 813 819 2 798 807 28 792 798 11 792 813 12 786 792 18 855 858 1 855 861 2 840 843 1 840 846 2 831 840 12 825 831 11 825 855 12 819 825 18 921 924 1 921 927 2 900 909 14 891 900 11 882 891 11 873 882 11 867 873 11 867 921 12 861 867 18 942 945 1 942 948 2 933 942 12 927 933 18 972 975 1 972 978 2 954 960 11 954 972 12 948 954 18 1029 1032 1 1029 1035 2 1008 1017 11 990 996 11 990 1008 11 984 990 11 984 1029 12 978 984 18 1086 1089 1 1086 1092 2 1065 1074 11 1047 1053 11 1047 1065 11 1041 1047 11 1041 1086 12 1035 1041 18 1107 1110 1 1107 1113 2 1098 1107 12 1092 1098 18 1164 1167 1 1164 1170 2 1134 1140 11 1134 1152 11 1125 1134 11 1119 1125 11 1119 1164 12 1113 1119 18 1215 1218 15 1215 1221 15 1200 1203 29 1191 1200 29 1182 1191 11 1176 1182 11 1176 1215 12 1170 1176 18 %FLAG ANGLES_INC_HYDROGEN %FORMAT(10I8) 63 69 72 2 54 51 57 4 51 57 60 4 42 45 48 6 42 51 54 7 39 36 42 7 33 30 36 4 30 36 39 4 27 30 33 4 27 57 60 4 24 18 27 11 21 18 24 12 21 18 27 11 15 12 18 15 15 12 63 16 12 18 21 17 12 18 24 17 9 0 12 21 6 0 9 22 6 0 12 21 3 0 6 22 3 0 9 22 3 0 12 21 0 12 15 23 108 114 117 2 96 90 99 27 93 90 96 12 93 90 99 27 87 81 90 17 84 81 87 12 84 81 90 17 81 90 93 17 81 90 96 17 78 75 81 29 78 75 108 30 75 81 84 17 75 81 87 17 72 69 75 32 69 75 78 33 156 162 165 2 150 144 153 12 147 144 150 12 147 144 153 12 138 132 141 12 135 132 138 12 135 132 141 12 129 126 132 17 129 126 144 17 126 132 135 17 126 132 138 17 126 132 141 17 126 144 147 17 126 144 150 17 126 144 153 17 123 120 126 29 123 120 156 30 120 126 129 17 117 114 120 32 114 120 123 33 207 213 216 2 198 195 201 36 195 201 204 37 192 189 195 38 189 195 198 39 186 189 192 42 183 201 204 46 180 174 183 47 177 174 180 12 177 174 183 47 171 168 174 29 171 168 207 30 168 174 177 17 168 174 180 17 165 162 168 32 162 168 171 33 258 264 267 2 249 246 252 36 246 252 255 37 243 240 246 38 240 246 249 39 237 240 243 42 234 252 255 46 231 225 234 47 228 225 231 12 228 225 234 47 222 219 225 29 222 219 258 30 219 225 228 17 219 225 231 17 216 213 219 32 213 219 222 33 309 315 318 2 303 300 306 51 294 300 303 2 294 300 306 2 291 285 294 27 288 285 291 12 288 285 294 27 282 276 285 17 279 276 282 12 279 276 285 17 276 285 288 17 276 285 291 17 273 270 276 29 273 270 309 30 270 276 279 17 270 276 282 17 267 264 270 32 264 270 273 33 375 381 384 2 369 363 372 22 366 363 369 22 366 363 372 22 360 354 363 23 357 354 360 52 357 354 363 23 354 363 366 21 354 363 369 21 354 363 372 21 351 345 354 17 348 345 351 12 348 345 354 17 345 354 357 15 345 354 360 15 342 336 345 17 339 336 342 12 339 336 345 17 336 345 348 17 336 345 351 17 333 327 336 17 330 327 333 12 330 327 336 17 327 336 339 17 327 336 342 17 324 321 327 29 324 321 375 30 321 327 330 17 321 327 333 17 318 315 321 32 315 321 324 33 432 438 441 2 426 420 429 12 423 420 426 12 423 420 429 12 414 408 417 12 411 408 414 12 411 408 417 12 405 402 408 17 405 402 420 17 402 408 411 17 402 408 414 17 402 408 417 17 402 420 423 17 402 420 426 17 402 420 429 17 399 393 402 17 396 393 399 12 396 393 402 17 393 402 405 17 390 387 393 29 390 387 432 30 387 393 396 17 387 393 399 17 384 381 387 32 381 387 390 33 480 486 489 2 474 468 477 12 471 468 474 12 471 468 477 12 462 456 465 12 459 456 462 12 459 456 465 12 453 450 456 17 453 450 468 17 450 456 459 17 450 456 462 17 450 456 465 17 450 468 471 17 450 468 474 17 450 468 477 17 447 444 450 29 447 444 480 30 444 450 453 17 441 438 444 32 438 444 447 33 540 546 549 2 531 528 534 4 528 534 537 4 525 522 528 4 522 528 531 4 519 516 522 4 516 522 525 4 513 510 516 4 510 516 519 4 507 510 513 4 507 534 537 4 504 498 507 11 501 498 504 12 501 498 507 11 495 492 498 29 495 492 540 30 492 498 501 17 492 498 504 17 489 486 492 32 486 492 495 33 600 606 609 2 591 588 594 4 588 594 597 4 585 582 588 4 582 588 591 4 579 576 582 4 576 582 585 4 573 570 576 4 570 576 579 4 567 570 573 4 567 594 597 4 564 558 567 11 561 558 564 12 561 558 567 11 555 552 558 29 555 552 600 30 552 558 561 17 552 558 564 17 549 546 552 32 546 552 555 33 630 636 639 2 624 618 627 12 621 618 624 12 621 618 627 12 615 612 618 29 615 612 630 30 612 618 621 17 612 618 624 17 612 618 627 17 609 606 612 32 606 612 615 33 675 681 684 2 663 657 666 27 660 657 663 12 660 657 666 27 654 648 657 17 651 648 654 12 651 648 657 17 648 657 660 17 648 657 663 17 645 642 648 29 645 642 675 30 642 648 651 17 642 648 654 17 639 636 642 32 636 642 645 33 711 717 720 2 699 693 702 27 696 693 699 12 696 693 702 27 690 687 693 29 690 687 711 30 687 693 696 17 687 693 699 17 684 681 687 32 681 687 690 33 759 765 768 2 753 747 756 12 750 747 753 12 750 747 756 12 741 735 744 12 738 735 741 12 738 735 744 12 732 729 735 17 732 729 747 17 729 735 738 17 729 735 741 17 729 735 744 17 729 747 750 17 729 747 753 17 729 747 756 17 726 723 729 29 726 723 759 30 723 729 732 17 720 717 723 32 717 723 726 33 780 786 789 2 777 771 780 30 774 771 777 53 774 771 780 30 768 765 771 32 765 771 774 33 765 771 777 33 813 819 822 2 804 798 807 54 801 798 804 53 801 798 807 54 798 807 810 55 795 792 798 29 795 792 813 30 792 798 801 29 792 798 804 29 789 786 792 32 786 792 795 33 855 861 864 2 849 846 852 51 840 846 849 2 840 846 852 2 837 831 840 27 834 831 837 12 834 831 840 27 828 825 831 29 828 825 855 30 825 831 834 17 825 831 837 17 822 819 825 32 819 825 828 33 921 927 930 2 915 909 918 22 912 909 915 22 912 909 918 22 906 900 909 23 903 900 906 52 903 900 909 23 900 909 912 21 900 909 915 21 900 909 918 21 897 891 900 17 894 891 897 12 894 891 900 17 891 900 903 15 891 900 906 15 888 882 891 17 885 882 888 12 885 882 891 17 882 891 894 17 882 891 897 17 879 873 882 17 876 873 879 12 876 873 882 17 873 882 885 17 873 882 888 17 870 867 873 29 870 867 921 30 867 873 876 17 867 873 879 17 864 861 867 32 861 867 870 33 942 948 951 2 939 933 942 30 936 933 939 53 936 933 942 30 930 927 933 32 927 933 936 33 927 933 939 33 972 978 981 2 966 960 969 12 963 960 966 12 963 960 969 12 957 954 960 29 957 954 972 30 954 960 963 17 954 960 966 17 954 960 969 17 951 948 954 32 948 954 957 33 1029 1035 1038 2 1023 1017 1026 12 1020 1017 1023 12 1020 1017 1026 12 1014 1008 1017 17 1011 1008 1014 12 1011 1008 1017 17 1008 1017 1020 17 1008 1017 1023 17 1008 1017 1026 17 1002 996 1005 12 999 996 1002 12 999 996 1005 12 993 990 996 17 993 990 1008 17 990 996 999 17 990 996 1002 17 990 996 1005 17 990 1008 1011 17 990 1008 1014 17 987 984 990 29 987 984 1029 30 984 990 993 17 981 978 984 32 978 984 987 33 1086 1092 1095 2 1080 1074 1083 12 1077 1074 1080 12 1077 1074 1083 12 1071 1065 1074 17 1068 1065 1071 12 1068 1065 1074 17 1065 1074 1077 17 1065 1074 1080 17 1065 1074 1083 17 1059 1053 1062 12 1056 1053 1059 12 1056 1053 1062 12 1050 1047 1053 17 1050 1047 1065 17 1047 1053 1056 17 1047 1053 1059 17 1047 1053 1062 17 1047 1065 1068 17 1047 1065 1071 17 1044 1041 1047 29 1044 1041 1086 30 1041 1047 1050 17 1038 1035 1041 32 1035 1041 1044 33 1107 1113 1116 2 1104 1098 1107 30 1101 1098 1104 53 1101 1098 1107 30 1095 1092 1098 32 1092 1098 1101 33 1092 1098 1104 33 1164 1170 1173 2 1158 1152 1161 12 1155 1152 1158 12 1155 1152 1161 12 1146 1140 1149 12 1143 1140 1146 12 1143 1140 1149 12 1137 1134 1140 17 1137 1134 1152 17 1134 1140 1143 17 1134 1140 1146 17 1134 1140 1149 17 1134 1152 1155 17 1134 1152 1158 17 1134 1152 1161 17 1131 1125 1134 17 1128 1125 1131 12 1128 1125 1134 17 1125 1134 1137 17 1122 1119 1125 29 1122 1119 1164 30 1119 1125 1128 17 1119 1125 1131 17 1116 1113 1119 32 1113 1119 1122 33 1209 1203 1212 53 1206 1203 1209 53 1206 1203 1212 53 1200 1203 1206 57 1200 1203 1209 57 1200 1203 1212 57 1197 1191 1200 57 1194 1191 1197 53 1194 1191 1200 57 1188 1182 1191 17 1185 1182 1188 12 1185 1182 1191 17 1182 1191 1194 29 1182 1191 1197 29 1179 1176 1182 29 1179 1176 1215 30 1176 1182 1185 17 1176 1182 1188 17 1173 1170 1176 32 1170 1176 1179 33 %FLAG ANGLES_WITHOUT_HYDROGEN %FORMAT(10I8) 66 63 69 1 63 69 75 3 45 42 51 5 42 51 57 8 36 42 45 5 36 42 51 9 30 27 57 10 30 36 42 8 27 30 36 10 27 57 51 10 18 12 63 13 18 27 30 14 18 27 57 14 12 18 27 18 12 63 66 19 12 63 69 20 0 12 18 24 0 12 63 25 111 108 114 1 108 114 120 3 102 99 105 26 90 99 102 28 90 99 105 28 81 75 108 13 81 90 99 13 75 81 90 31 75 108 111 19 75 108 114 20 69 75 81 34 69 75 108 35 159 156 162 1 156 162 168 3 132 126 144 31 126 120 156 13 120 126 132 31 120 126 144 31 120 156 159 19 120 156 162 20 114 120 126 34 114 120 156 35 210 207 213 1 207 213 219 3 189 195 201 40 186 183 201 41 186 189 195 43 183 186 189 44 183 201 195 45 174 168 207 13 174 183 186 48 174 183 201 49 168 174 183 50 168 207 210 19 168 207 213 20 162 168 174 34 162 168 207 35 261 258 264 1 258 264 270 3 240 246 252 40 237 234 252 41 237 240 246 43 234 237 240 44 234 252 246 45 225 219 258 13 225 234 237 48 225 234 252 49 219 225 234 50 219 258 261 19 219 258 264 20 213 219 225 34 213 219 258 35 312 309 315 1 309 315 321 3 297 294 300 1 285 294 297 19 285 294 300 20 276 270 309 13 276 285 294 13 270 276 285 31 270 309 312 19 270 309 315 20 264 270 276 34 264 270 309 35 378 375 381 1 375 381 387 3 345 354 363 24 336 345 354 31 327 321 375 13 327 336 345 31 321 327 336 31 321 375 378 19 321 375 381 20 315 321 327 34 315 321 375 35 435 432 438 1 432 438 444 3 408 402 420 31 393 387 432 13 393 402 408 31 393 402 420 31 387 393 402 31 387 432 435 19 387 432 438 20 381 387 393 34 381 387 432 35 483 480 486 1 480 486 492 3 456 450 468 31 450 444 480 13 444 450 456 31 444 450 468 31 444 480 483 19 444 480 486 20 438 444 450 34 438 444 480 35 543 540 546 1 540 546 552 3 522 528 534 10 516 522 528 10 510 507 534 10 510 516 522 10 507 510 516 10 507 534 528 10 498 492 540 13 498 507 510 14 498 507 534 14 492 498 507 18 492 540 543 19 492 540 546 20 486 492 498 34 486 492 540 35 603 600 606 1 600 606 612 3 582 588 594 10 576 582 588 10 570 567 594 10 570 576 582 10 567 570 576 10 567 594 588 10 558 552 600 13 558 567 570 14 558 567 594 14 552 558 567 18 552 600 603 19 552 600 606 20 546 552 558 34 546 552 600 35 633 630 636 1 630 636 642 3 618 612 630 13 612 630 633 19 612 630 636 20 606 612 618 34 606 612 630 35 678 675 681 1 675 681 687 3 669 666 672 26 657 666 669 28 657 666 672 28 648 642 675 13 648 657 666 13 642 648 657 31 642 675 678 19 642 675 681 20 636 642 648 34 636 642 675 35 714 711 717 1 711 717 723 3 705 702 708 26 693 687 711 13 693 702 705 28 693 702 708 28 687 693 702 13 687 711 714 19 687 711 717 20 681 687 693 34 681 687 711 35 762 759 765 1 759 765 771 3 735 729 747 31 729 723 759 13 723 729 735 31 723 729 747 31 723 759 762 19 723 759 765 20 717 723 729 34 717 723 759 35 783 780 786 1 780 786 792 3 771 780 783 19 771 780 786 20 765 771 780 35 816 813 819 1 813 819 825 3 798 792 813 13 792 798 807 56 792 813 816 19 792 813 819 20 786 792 798 34 786 792 813 35 858 855 861 1 855 861 867 3 843 840 846 1 831 825 855 13 831 840 843 19 831 840 846 20 825 831 840 13 825 855 858 19 825 855 861 20 819 825 831 34 819 825 855 35 924 921 927 1 921 927 933 3 891 900 909 24 882 891 900 31 873 867 921 13 873 882 891 31 867 873 882 31 867 921 924 19 867 921 927 20 861 867 873 34 861 867 921 35 945 942 948 1 942 948 954 3 933 942 945 19 933 942 948 20 927 933 942 35 975 972 978 1 972 978 984 3 960 954 972 13 954 972 975 19 954 972 978 20 948 954 960 34 948 954 972 35 1032 1029 1035 1 1029 1035 1041 3 996 990 1008 31 990 984 1029 13 990 1008 1017 31 984 990 996 31 984 990 1008 31 984 1029 1032 19 984 1029 1035 20 978 984 990 34 978 984 1029 35 1089 1086 1092 1 1086 1092 1098 3 1053 1047 1065 31 1047 1041 1086 13 1047 1065 1074 31 1041 1047 1053 31 1041 1047 1065 31 1041 1086 1089 19 1041 1086 1092 20 1035 1041 1047 34 1035 1041 1086 35 1110 1107 1113 1 1107 1113 1119 3 1098 1107 1110 19 1098 1107 1113 20 1092 1098 1107 35 1167 1164 1170 1 1164 1170 1176 3 1140 1134 1152 31 1125 1119 1164 13 1125 1134 1140 31 1125 1134 1152 31 1119 1125 1134 31 1119 1164 1167 19 1119 1164 1170 20 1113 1119 1125 34 1113 1119 1164 35 1218 1215 1221 26 1191 1200 1203 58 1182 1176 1215 13 1182 1191 1200 59 1176 1182 1191 31 1176 1215 1218 28 1176 1215 1221 28 1170 1176 1182 34 1170 1176 1215 35 %FLAG DIHEDRALS_INC_HYDROGEN %FORMAT(10I8) 66 63 69 72 1 66 63 -69 72 2 63 69 75 78 3 54 51 57 60 10 48 45 42 51 11 45 42 51 54 10 42 51 57 60 10 39 36 42 45 10 39 36 42 51 10 36 42 45 48 11 36 42 51 54 10 33 30 27 57 10 33 30 36 39 10 33 30 36 42 10 30 27 57 60 10 27 30 36 39 10 27 57 51 54 10 24 18 12 63 12 24 18 27 30 3 24 18 27 57 3 21 18 12 63 12 21 18 27 30 3 21 18 27 57 3 18 27 30 33 10 18 27 57 60 10 15 12 18 21 12 15 12 18 24 12 15 12 18 27 12 15 12 63 66 3 15 12 63 69 3 12 63 69 72 2 9 0 12 15 12 9 0 12 18 12 9 0 12 63 12 6 0 12 15 12 6 0 12 18 12 6 0 12 63 12 3 0 12 15 12 3 0 12 18 12 3 0 12 63 12 0 12 18 21 12 0 12 18 24 12 111 108 114 117 1 111 108 -114 117 2 108 114 120 123 3 96 90 99 102 3 96 90 99 105 3 93 90 99 102 3 93 90 99 105 3 87 81 75 108 12 87 81 90 93 15 87 81 90 96 15 87 81 90 99 12 84 81 75 108 12 84 81 90 93 15 84 81 90 96 15 84 81 90 99 12 78 75 81 84 12 78 75 81 87 12 78 75 81 90 12 78 75 108 111 16 78 75 -108 111 17 78 75 108 114 3 75 81 90 93 18 75 81 90 96 18 75 108 114 117 2 72 69 75 78 3 72 69 75 81 3 72 69 75 108 3 69 75 81 84 12 69 75 81 87 12 159 156 162 165 1 159 156 -162 165 2 156 162 168 171 3 141 132 126 144 18 138 132 126 144 18 135 132 126 144 18 132 126 144 147 18 132 126 144 150 18 132 126 144 153 18 129 126 120 156 12 129 126 132 135 15 129 126 132 138 15 129 126 132 141 15 129 126 144 147 15 129 126 144 150 15 129 126 144 153 15 123 120 126 129 12 123 120 126 132 12 123 120 126 144 12 123 120 156 159 16 123 120 -156 159 17 123 120 156 162 3 120 126 132 135 18 120 126 132 138 18 120 126 132 141 18 120 126 144 147 18 120 126 144 150 18 120 126 144 153 18 120 156 162 165 2 117 114 120 123 3 117 114 120 126 3 117 114 120 156 3 114 120 126 129 12 210 207 213 216 1 210 207 -213 216 2 207 213 219 222 3 198 195 201 204 22 192 189 195 198 23 192 189 195 201 23 189 195 201 204 22 186 183 201 204 25 186 189 195 198 23 183 186 189 192 26 183 201 195 198 22 180 174 168 207 12 180 174 183 186 3 180 174 183 201 3 177 174 168 207 12 177 174 183 186 3 177 174 183 201 3 174 183 201 204 25 171 168 174 177 12 171 168 174 180 12 171 168 174 183 12 171 168 207 210 16 171 168 -207 210 17 171 168 207 213 3 168 207 213 216 2 165 162 168 171 3 165 162 168 174 3 165 162 168 207 3 162 168 174 177 12 162 168 174 180 12 261 258 264 267 1 261 258 -264 267 2 258 264 270 273 3 249 246 252 255 22 243 240 246 249 23 243 240 246 252 23 240 246 252 255 22 237 234 252 255 25 237 240 246 249 23 234 237 240 243 26 234 252 246 249 22 231 225 219 258 12 231 225 234 237 3 231 225 234 252 3 228 225 219 258 12 228 225 234 237 3 228 225 234 252 3 225 234 252 255 25 222 219 225 228 12 222 219 225 231 12 222 219 225 234 12 222 219 258 261 16 222 219 -258 261 17 222 219 258 264 3 219 258 264 267 2 216 213 219 222 3 216 213 219 225 3 216 213 219 258 3 213 219 225 228 12 213 219 225 231 12 312 309 315 318 1 312 309 -315 318 2 309 315 321 324 3 297 294 300 303 1 297 294 -300 303 2 297 294 300 306 1 297 294 -300 306 2 291 285 294 297 16 291 285 -294 297 3 291 285 -294 297 17 291 285 294 300 3 288 285 294 297 16 288 285 -294 297 3 288 285 -294 297 17 288 285 294 300 3 285 294 300 303 2 285 294 300 306 2 282 276 270 309 12 282 276 285 288 15 282 276 285 291 15 282 276 285 294 12 279 276 270 309 12 279 276 285 288 15 279 276 285 291 15 279 276 285 294 12 273 270 276 279 12 273 270 276 282 12 273 270 276 285 12 273 270 309 312 16 273 270 -309 312 17 273 270 309 315 3 270 276 285 288 18 270 276 285 291 18 270 309 315 318 2 267 264 270 273 3 267 264 270 276 3 267 264 270 309 3 264 270 276 279 12 264 270 276 282 12 378 375 381 384 1 378 375 -381 384 2 375 381 387 390 3 360 354 363 366 12 360 354 363 369 12 360 354 363 372 12 357 354 363 366 12 357 354 363 369 12 357 354 363 372 12 351 345 354 357 12 351 345 354 360 12 351 345 354 363 12 348 345 354 357 12 348 345 354 360 12 348 345 354 363 12 345 354 363 366 12 345 354 363 369 12 345 354 363 372 12 342 336 345 348 15 342 336 345 351 15 342 336 345 354 18 339 336 345 348 15 339 336 345 351 15 339 336 345 354 18 336 345 354 357 12 336 345 354 360 12 333 327 321 375 12 333 327 336 339 15 333 327 336 342 15 333 327 336 345 18 330 327 321 375 12 330 327 336 339 15 330 327 336 342 15 330 327 336 345 18 327 336 345 348 18 327 336 345 351 18 324 321 327 330 12 324 321 327 333 12 324 321 327 336 12 324 321 375 378 16 324 321 -375 378 17 324 321 375 381 3 321 327 336 339 18 321 327 336 342 18 321 375 381 384 2 318 315 321 324 3 318 315 321 327 3 318 315 321 375 3 315 321 327 330 12 315 321 327 333 12 435 432 438 441 1 435 432 -438 441 2 432 438 444 447 3 417 408 402 420 18 414 408 402 420 18 411 408 402 420 18 408 402 420 423 18 408 402 420 426 18 408 402 420 429 18 405 402 408 411 15 405 402 408 414 15 405 402 408 417 15 405 402 420 423 15 405 402 420 426 15 405 402 420 429 15 399 393 387 432 12 399 393 402 405 15 399 393 402 408 18 399 393 402 420 18 396 393 387 432 12 396 393 402 405 15 396 393 402 408 18 396 393 402 420 18 393 402 408 411 18 393 402 408 414 18 393 402 408 417 18 393 402 420 423 18 393 402 420 426 18 393 402 420 429 18 390 387 393 396 12 390 387 393 399 12 390 387 393 402 12 390 387 432 435 16 390 387 -432 435 17 390 387 432 438 3 387 393 402 405 18 387 432 438 441 2 384 381 387 390 3 384 381 387 393 3 384 381 387 432 3 381 387 393 396 12 381 387 393 399 12 483 480 486 489 1 483 480 -486 489 2 480 486 492 495 3 465 456 450 468 18 462 456 450 468 18 459 456 450 468 18 456 450 468 471 18 456 450 468 474 18 456 450 468 477 18 453 450 444 480 12 453 450 456 459 15 453 450 456 462 15 453 450 456 465 15 453 450 468 471 15 453 450 468 474 15 453 450 468 477 15 447 444 450 453 12 447 444 450 456 12 447 444 450 468 12 447 444 480 483 16 447 444 -480 483 17 447 444 480 486 3 444 450 456 459 18 444 450 456 462 18 444 450 456 465 18 444 450 468 471 18 444 450 468 474 18 444 450 468 477 18 444 480 486 489 2 441 438 444 447 3 441 438 444 450 3 441 438 444 480 3 438 444 450 453 12 543 540 546 549 1 543 540 -546 549 2 540 546 552 555 3 531 528 534 537 10 525 522 528 531 10 525 522 528 534 10 522 528 534 537 10 519 516 522 525 10 519 516 522 528 10 516 522 528 531 10 513 510 507 534 10 513 510 516 519 10 513 510 516 522 10 510 507 534 537 10 510 516 522 525 10 507 510 516 519 10 507 534 528 531 10 504 498 492 540 12 504 498 507 510 3 504 498 507 534 3 501 498 492 540 12 501 498 507 510 3 501 498 507 534 3 498 507 510 513 10 498 507 534 537 10 495 492 498 501 12 495 492 498 504 12 495 492 498 507 12 495 492 540 543 16 495 492 -540 543 17 495 492 540 546 3 492 540 546 549 2 489 486 492 495 3 489 486 492 498 3 489 486 492 540 3 486 492 498 501 12 486 492 498 504 12 603 600 606 609 1 603 600 -606 609 2 600 606 612 615 3 591 588 594 597 10 585 582 588 591 10 585 582 588 594 10 582 588 594 597 10 579 576 582 585 10 579 576 582 588 10 576 582 588 591 10 573 570 567 594 10 573 570 576 579 10 573 570 576 582 10 570 567 594 597 10 570 576 582 585 10 567 570 576 579 10 567 594 588 591 10 564 558 552 600 12 564 558 567 570 3 564 558 567 594 3 561 558 552 600 12 561 558 567 570 3 561 558 567 594 3 558 567 570 573 10 558 567 594 597 10 555 552 558 561 12 555 552 558 564 12 555 552 558 567 12 555 552 600 603 16 555 552 -600 603 17 555 552 600 606 3 552 600 606 609 2 549 546 552 555 3 549 546 552 558 3 549 546 552 600 3 546 552 558 561 12 546 552 558 564 12 633 630 636 639 1 633 630 -636 639 2 630 636 642 645 3 627 618 612 630 12 624 618 612 630 12 621 618 612 630 12 615 612 618 621 12 615 612 618 624 12 615 612 618 627 12 615 612 630 633 16 615 612 -630 633 17 615 612 630 636 3 612 630 636 639 2 609 606 612 615 3 609 606 612 618 3 609 606 612 630 3 606 612 618 621 12 606 612 618 624 12 606 612 618 627 12 678 675 681 684 1 678 675 -681 684 2 675 681 687 690 3 663 657 666 669 3 663 657 666 672 3 660 657 666 669 3 660 657 666 672 3 654 648 642 675 12 654 648 657 660 15 654 648 657 663 15 654 648 657 666 12 651 648 642 675 12 651 648 657 660 15 651 648 657 663 15 651 648 657 666 12 645 642 648 651 12 645 642 648 654 12 645 642 648 657 12 645 642 675 678 16 645 642 -675 678 17 645 642 675 681 3 642 648 657 660 18 642 648 657 663 18 642 675 681 684 2 639 636 642 645 3 639 636 642 648 3 639 636 642 675 3 636 642 648 651 12 636 642 648 654 12 714 711 717 720 1 714 711 -717 720 2 711 717 723 726 3 699 693 687 711 12 699 693 702 705 3 699 693 702 708 3 696 693 687 711 12 696 693 702 705 3 696 693 702 708 3 690 687 693 696 12 690 687 693 699 12 690 687 693 702 12 690 687 711 714 16 690 687 -711 714 17 690 687 711 717 3 687 711 717 720 2 684 681 687 690 3 684 681 687 693 3 684 681 687 711 3 681 687 693 696 12 681 687 693 699 12 762 759 765 768 1 762 759 -765 768 2 759 765 771 774 3 759 765 771 777 3 744 735 729 747 18 741 735 729 747 18 738 735 729 747 18 735 729 747 750 18 735 729 747 753 18 735 729 747 756 18 732 729 723 759 12 732 729 735 738 15 732 729 735 741 15 732 729 735 744 15 732 729 747 750 15 732 729 747 753 15 732 729 747 756 15 726 723 729 732 12 726 723 729 735 12 726 723 729 747 12 726 723 759 762 16 726 723 -759 762 17 726 723 759 765 3 723 729 735 738 18 723 729 735 741 18 723 729 735 744 18 723 729 747 750 18 723 729 747 753 18 723 729 747 756 18 723 759 765 768 2 720 717 723 726 3 720 717 723 729 3 720 717 723 759 3 717 723 729 732 12 783 780 786 789 1 783 780 -786 789 2 780 786 792 795 3 777 771 780 783 16 777 771 -780 783 17 777 771 780 786 3 774 771 780 783 16 774 771 -780 783 17 774 771 780 786 3 771 780 786 789 2 768 765 771 774 3 768 765 771 777 3 768 765 771 780 3 816 813 819 822 1 816 813 -819 822 2 813 819 825 828 3 804 798 792 813 12 804 798 807 810 30 801 798 792 813 12 801 798 807 810 30 795 792 798 801 12 795 792 798 804 12 795 792 798 807 31 795 792 -798 807 32 795 792 813 816 16 795 792 -813 816 17 795 792 813 819 3 792 798 807 810 31 792 798 -807 810 18 792 813 819 822 2 789 786 792 795 3 789 786 792 798 3 789 786 792 813 3 786 792 798 801 12 786 792 798 804 12 858 855 861 864 1 858 855 -861 864 2 855 861 867 870 3 843 840 846 849 1 843 840 -846 849 2 843 840 846 852 1 843 840 -846 852 2 837 831 825 855 12 837 831 840 843 16 837 831 -840 843 3 837 831 -840 843 17 837 831 840 846 3 834 831 825 855 12 834 831 840 843 16 834 831 -840 843 3 834 831 -840 843 17 834 831 840 846 3 831 840 846 849 2 831 840 846 852 2 828 825 831 834 12 828 825 831 837 12 828 825 831 840 12 828 825 855 858 16 828 825 -855 858 17 828 825 855 861 3 825 855 861 864 2 822 819 825 828 3 822 819 825 831 3 822 819 825 855 3 819 825 831 834 12 819 825 831 837 12 924 921 927 930 1 924 921 -927 930 2 921 927 933 936 3 921 927 933 939 3 906 900 909 912 12 906 900 909 915 12 906 900 909 918 12 903 900 909 912 12 903 900 909 915 12 903 900 909 918 12 897 891 900 903 12 897 891 900 906 12 897 891 900 909 12 894 891 900 903 12 894 891 900 906 12 894 891 900 909 12 891 900 909 912 12 891 900 909 915 12 891 900 909 918 12 888 882 891 894 15 888 882 891 897 15 888 882 891 900 18 885 882 891 894 15 885 882 891 897 15 885 882 891 900 18 882 891 900 903 12 882 891 900 906 12 879 873 867 921 12 879 873 882 885 15 879 873 882 888 15 879 873 882 891 18 876 873 867 921 12 876 873 882 885 15 876 873 882 888 15 876 873 882 891 18 873 882 891 894 18 873 882 891 897 18 870 867 873 876 12 870 867 873 879 12 870 867 873 882 12 870 867 921 924 16 870 867 -921 924 17 870 867 921 927 3 867 873 882 885 18 867 873 882 888 18 867 921 927 930 2 864 861 867 870 3 864 861 867 873 3 864 861 867 921 3 861 867 873 876 12 861 867 873 879 12 945 942 948 951 1 945 942 -948 951 2 942 948 954 957 3 939 933 942 945 16 939 933 -942 945 17 939 933 942 948 3 936 933 942 945 16 936 933 -942 945 17 936 933 942 948 3 933 942 948 951 2 930 927 933 936 3 930 927 933 939 3 930 927 933 942 3 975 972 978 981 1 975 972 -978 981 2 972 978 984 987 3 969 960 954 972 12 966 960 954 972 12 963 960 954 972 12 957 954 960 963 12 957 954 960 966 12 957 954 960 969 12 957 954 972 975 16 957 954 -972 975 17 957 954 972 978 3 954 972 978 981 2 951 948 954 957 3 951 948 954 960 3 951 948 954 972 3 948 954 960 963 12 948 954 960 966 12 948 954 960 969 12 1032 1029 1035 1038 1 1032 1029 -1035 1038 2 1029 1035 1041 1044 3 1014 1008 1017 1020 15 1014 1008 1017 1023 15 1014 1008 1017 1026 15 1011 1008 1017 1020 15 1011 1008 1017 1023 15 1011 1008 1017 1026 15 1005 996 990 1008 18 1002 996 990 1008 18 999 996 990 1008 18 996 990 1008 1011 18 996 990 1008 1014 18 993 990 984 1029 12 993 990 996 999 15 993 990 996 1002 15 993 990 996 1005 15 993 990 1008 1011 15 993 990 1008 1014 15 993 990 1008 1017 18 990 1008 1017 1020 18 990 1008 1017 1023 18 990 1008 1017 1026 18 987 984 990 993 12 987 984 990 996 12 987 984 990 1008 12 987 984 1029 1032 16 987 984 -1029 1032 17 987 984 1029 1035 3 984 990 996 999 18 984 990 996 1002 18 984 990 996 1005 18 984 990 1008 1011 18 984 990 1008 1014 18 984 1029 1035 1038 2 981 978 984 987 3 981 978 984 990 3 981 978 984 1029 3 978 984 990 993 12 1089 1086 1092 1095 1 1089 1086 -1092 1095 2 1086 1092 1098 1101 3 1086 1092 1098 1104 3 1071 1065 1074 1077 15 1071 1065 1074 1080 15 1071 1065 1074 1083 15 1068 1065 1074 1077 15 1068 1065 1074 1080 15 1068 1065 1074 1083 15 1062 1053 1047 1065 18 1059 1053 1047 1065 18 1056 1053 1047 1065 18 1053 1047 1065 1068 18 1053 1047 1065 1071 18 1050 1047 1041 1086 12 1050 1047 1053 1056 15 1050 1047 1053 1059 15 1050 1047 1053 1062 15 1050 1047 1065 1068 15 1050 1047 1065 1071 15 1050 1047 1065 1074 18 1047 1065 1074 1077 18 1047 1065 1074 1080 18 1047 1065 1074 1083 18 1044 1041 1047 1050 12 1044 1041 1047 1053 12 1044 1041 1047 1065 12 1044 1041 1086 1089 16 1044 1041 -1086 1089 17 1044 1041 1086 1092 3 1041 1047 1053 1056 18 1041 1047 1053 1059 18 1041 1047 1053 1062 18 1041 1047 1065 1068 18 1041 1047 1065 1071 18 1041 1086 1092 1095 2 1038 1035 1041 1044 3 1038 1035 1041 1047 3 1038 1035 1041 1086 3 1035 1041 1047 1050 12 1110 1107 1113 1116 1 1110 1107 -1113 1116 2 1107 1113 1119 1122 3 1104 1098 1107 1110 16 1104 1098 -1107 1110 17 1104 1098 1107 1113 3 1101 1098 1107 1110 16 1101 1098 -1107 1110 17 1101 1098 1107 1113 3 1098 1107 1113 1116 2 1095 1092 1098 1101 3 1095 1092 1098 1104 3 1095 1092 1098 1107 3 1167 1164 1170 1173 1 1167 1164 -1170 1173 2 1164 1170 1176 1179 3 1149 1140 1134 1152 18 1146 1140 1134 1152 18 1143 1140 1134 1152 18 1140 1134 1152 1155 18 1140 1134 1152 1158 18 1140 1134 1152 1161 18 1137 1134 1140 1143 15 1137 1134 1140 1146 15 1137 1134 1140 1149 15 1137 1134 1152 1155 15 1137 1134 1152 1158 15 1137 1134 1152 1161 15 1131 1125 1119 1164 12 1131 1125 1134 1137 15 1131 1125 1134 1140 18 1131 1125 1134 1152 18 1128 1125 1119 1164 12 1128 1125 1134 1137 15 1128 1125 1134 1140 18 1128 1125 1134 1152 18 1125 1134 1140 1143 18 1125 1134 1140 1146 18 1125 1134 1140 1149 18 1125 1134 1152 1155 18 1125 1134 1152 1158 18 1125 1134 1152 1161 18 1122 1119 1125 1128 12 1122 1119 1125 1131 12 1122 1119 1125 1134 12 1122 1119 1164 1167 16 1122 1119 -1164 1167 17 1122 1119 1164 1170 3 1119 1125 1134 1137 18 1119 1164 1170 1173 2 1116 1113 1119 1122 3 1116 1113 1119 1125 3 1116 1113 1119 1164 3 1113 1119 1125 1128 12 1113 1119 1125 1131 12 1197 1191 1200 1203 33 1194 1191 1200 1203 33 1191 1200 1203 1206 33 1191 1200 1203 1209 33 1191 1200 1203 1212 33 1188 1182 1176 1215 12 1188 1182 1191 1194 12 1188 1182 1191 1197 12 1188 1182 1191 1200 12 1185 1182 1176 1215 12 1185 1182 1191 1194 12 1185 1182 1191 1197 12 1185 1182 1191 1200 12 1179 1176 1182 1185 12 1179 1176 1182 1188 12 1179 1176 1182 1191 12 1179 1176 1215 1218 3 1179 1176 1215 1221 3 1176 1182 1191 1194 12 1176 1182 1191 1197 12 1173 1170 1176 1179 3 1173 1170 1176 1182 3 1173 1170 1176 1215 3 1170 1176 1182 1185 12 1170 1176 1182 1188 12 27 51 -57 -60 35 42 57 -51 -54 35 30 42 -36 -39 35 27 36 -30 -33 35 63 75 -69 -72 35 108 120 -114 -117 35 183 195 -201 -204 35 189 201 -195 -198 36 186 195 -189 -192 35 156 168 -162 -165 35 234 246 -252 -255 35 240 252 -246 -249 36 237 246 -240 -243 35 207 219 -213 -216 35 294 303 -300 -306 36 258 270 -264 -267 35 309 321 -315 -318 35 375 387 -381 -384 35 432 444 -438 -441 35 507 528 -534 -537 35 522 534 -528 -531 35 516 528 -522 -525 35 510 522 -516 -519 35 507 516 -510 -513 35 480 492 -486 -489 35 567 588 -594 -597 35 582 594 -588 -591 35 576 588 -582 -585 35 570 582 -576 -579 35 567 576 -570 -573 35 540 552 -546 -549 35 600 612 -606 -609 35 630 642 -636 -639 35 675 687 -681 -684 35 711 723 -717 -720 35 759 771 -765 -768 35 780 792 -786 -789 35 840 849 -846 -852 36 813 825 -819 -822 35 855 867 -861 -864 35 921 933 -927 -930 35 942 954 -948 -951 35 972 984 -978 -981 35 1029 1041 -1035 -1038 35 1086 1098 -1092 -1095 35 1107 1119 -1113 -1116 35 1164 1176 -1170 -1173 35 %FLAG DIHEDRALS_WITHOUT_HYDROGEN %FORMAT(10I8) 66 63 69 75 2 63 69 75 81 1 63 69 -75 81 4 63 69 -75 81 5 63 69 -75 81 6 63 69 75 108 7 63 69 -75 108 8 63 69 -75 108 9 63 69 -75 108 6 45 42 51 57 10 36 30 27 57 10 36 42 -51 57 10 30 27 57 51 10 30 36 42 45 10 30 36 -42 51 10 27 18 12 63 12 27 30 36 42 10 27 57 -51 42 10 18 12 63 66 3 18 12 63 69 13 18 12 -63 69 14 18 12 -63 69 5 18 12 -63 69 6 18 27 30 36 10 18 27 57 51 10 12 18 27 30 3 12 18 27 57 3 12 63 69 75 2 0 12 18 27 12 0 12 63 66 3 0 12 63 69 3 111 108 114 120 2 108 114 120 126 1 108 114 -120 126 4 108 114 -120 126 5 108 114 -120 126 6 108 114 120 156 7 108 114 -120 156 8 108 114 -120 156 9 108 114 -120 156 6 90 81 75 108 12 81 75 108 111 3 81 75 108 114 13 81 75 -108 114 14 81 75 -108 114 5 81 75 -108 114 6 81 90 99 102 3 81 90 99 105 3 75 81 90 99 12 75 108 114 120 2 69 75 81 90 12 69 75 108 111 3 69 75 108 114 19 69 75 -108 114 20 69 75 -108 114 21 69 75 -108 114 6 159 156 162 168 2 156 162 168 174 1 156 162 -168 174 4 156 162 -168 174 5 156 162 -168 174 6 156 162 168 207 7 156 162 -168 207 8 156 162 -168 207 9 156 162 -168 207 6 144 126 120 156 12 132 126 120 156 12 126 120 156 159 3 126 120 156 162 13 126 120 -156 162 14 126 120 -156 162 5 126 120 -156 162 6 120 156 162 168 2 114 120 126 132 12 114 120 126 144 12 114 120 156 159 3 114 120 156 162 19 114 120 -156 162 20 114 120 -156 162 21 114 120 -156 162 6 210 207 213 219 2 207 213 219 225 1 207 213 -219 225 4 207 213 -219 225 5 207 213 -219 225 6 207 213 219 258 7 207 213 -219 258 8 207 213 -219 258 9 207 213 -219 258 6 189 186 -183 201 24 186 183 -201 195 25 186 189 -195 201 23 183 174 168 207 12 183 186 -189 195 26 183 201 -195 189 22 174 168 207 210 3 174 168 207 213 13 174 168 -207 213 14 174 168 -207 213 5 174 168 -207 213 6 174 183 186 189 24 174 183 201 195 25 168 174 183 186 3 168 174 183 201 3 168 207 213 219 2 162 168 174 183 12 162 168 207 210 3 162 168 207 213 19 162 168 -207 213 20 162 168 -207 213 21 162 168 -207 213 6 261 258 264 270 2 258 264 270 276 1 258 264 -270 276 4 258 264 -270 276 5 258 264 -270 276 6 258 264 270 309 7 258 264 -270 309 8 258 264 -270 309 9 258 264 -270 309 6 240 237 -234 252 24 237 234 -252 246 25 237 240 -246 252 23 234 225 219 258 12 234 237 -240 246 26 234 252 -246 240 22 225 219 258 261 3 225 219 258 264 13 225 219 -258 264 14 225 219 -258 264 5 225 219 -258 264 6 225 234 237 240 24 225 234 252 246 25 219 225 234 237 3 219 225 234 252 3 219 258 264 270 2 213 219 225 234 12 213 219 258 261 3 213 219 258 264 19 213 219 -258 264 20 213 219 -258 264 21 213 219 -258 264 6 312 309 315 321 2 309 315 321 327 1 309 315 -321 327 4 309 315 -321 327 5 309 315 -321 327 6 309 315 321 375 7 309 315 -321 375 8 309 315 -321 375 9 309 315 -321 375 6 285 276 270 309 12 276 270 309 312 3 276 270 309 315 13 276 270 -309 315 14 276 270 -309 315 5 276 270 -309 315 6 276 285 294 297 3 276 285 294 300 13 276 285 -294 300 14 276 285 -294 300 5 276 285 -294 300 6 270 276 285 294 12 270 309 315 321 2 264 270 276 285 12 264 270 309 312 3 264 270 309 315 19 264 270 -309 315 20 264 270 -309 315 21 264 270 -309 315 6 378 375 381 387 2 375 381 387 393 1 375 381 -387 393 4 375 381 -387 393 5 375 381 -387 393 6 375 381 387 432 7 375 381 -387 432 8 375 381 -387 432 9 375 381 -387 432 6 336 327 321 375 12 336 345 354 363 12 327 321 375 378 3 327 321 375 381 13 327 321 -375 381 14 327 321 -375 381 5 327 321 -375 381 6 327 336 345 354 27 327 336 -345 354 28 327 336 -345 354 29 321 327 336 345 27 321 327 -336 345 28 321 327 -336 345 29 321 375 381 387 2 315 321 327 336 12 315 321 375 378 3 315 321 375 381 19 315 321 -375 381 20 315 321 -375 381 21 315 321 -375 381 6 435 432 438 444 2 432 438 444 450 1 432 438 -444 450 4 432 438 -444 450 5 432 438 -444 450 6 432 438 444 480 7 432 438 -444 480 8 432 438 -444 480 9 432 438 -444 480 6 402 393 387 432 12 393 387 432 435 3 393 387 432 438 13 393 387 -432 438 14 393 387 -432 438 5 393 387 -432 438 6 387 393 402 408 27 387 393 -402 408 28 387 393 -402 408 29 387 393 402 420 27 387 393 -402 420 28 387 393 -402 420 29 387 432 438 444 2 381 387 393 402 12 381 387 432 435 3 381 387 432 438 19 381 387 -432 438 20 381 387 -432 438 21 381 387 -432 438 6 483 480 486 492 2 480 486 492 498 1 480 486 -492 498 4 480 486 -492 498 5 480 486 -492 498 6 480 486 492 540 7 480 486 -492 540 8 480 486 -492 540 9 480 486 -492 540 6 468 450 444 480 12 456 450 444 480 12 450 444 480 483 3 450 444 480 486 13 450 444 -480 486 14 450 444 -480 486 5 450 444 -480 486 6 444 480 486 492 2 438 444 450 456 12 438 444 450 468 12 438 444 480 483 3 438 444 480 486 19 438 444 -480 486 20 438 444 -480 486 21 438 444 -480 486 6 543 540 546 552 2 540 546 552 558 1 540 546 -552 558 4 540 546 -552 558 5 540 546 -552 558 6 540 546 552 600 7 540 546 -552 600 8 540 546 -552 600 9 540 546 -552 600 6 516 510 507 534 10 516 522 -528 534 10 510 507 534 528 10 510 516 -522 528 10 507 498 492 540 12 507 510 516 522 10 507 534 -528 522 10 498 492 540 543 3 498 492 540 546 13 498 492 -540 546 14 498 492 -540 546 5 498 492 -540 546 6 498 507 510 516 10 498 507 534 528 10 492 498 507 510 3 492 498 507 534 3 492 540 546 552 2 486 492 498 507 12 486 492 540 543 3 486 492 540 546 19 486 492 -540 546 20 486 492 -540 546 21 486 492 -540 546 6 603 600 606 612 2 600 606 612 618 1 600 606 -612 618 4 600 606 -612 618 5 600 606 -612 618 6 600 606 612 630 7 600 606 -612 630 8 600 606 -612 630 9 600 606 -612 630 6 576 570 567 594 10 576 582 -588 594 10 570 567 594 588 10 570 576 -582 588 10 567 558 552 600 12 567 570 576 582 10 567 594 -588 582 10 558 552 600 603 3 558 552 600 606 13 558 552 -600 606 14 558 552 -600 606 5 558 552 -600 606 6 558 567 570 576 10 558 567 594 588 10 552 558 567 570 3 552 558 567 594 3 552 600 606 612 2 546 552 558 567 12 546 552 600 603 3 546 552 600 606 19 546 552 -600 606 20 546 552 -600 606 21 546 552 -600 606 6 633 630 636 642 2 630 636 642 648 1 630 636 -642 648 4 630 636 -642 648 5 630 636 -642 648 6 630 636 642 675 7 630 636 -642 675 8 630 636 -642 675 9 630 636 -642 675 6 618 612 630 633 3 618 612 630 636 13 618 612 -630 636 14 618 612 -630 636 5 618 612 -630 636 6 612 630 636 642 2 606 612 630 633 3 606 612 630 636 19 606 612 -630 636 20 606 612 -630 636 21 606 612 -630 636 6 678 675 681 687 2 675 681 687 693 1 675 681 -687 693 4 675 681 -687 693 5 675 681 -687 693 6 675 681 687 711 7 675 681 -687 711 8 675 681 -687 711 9 675 681 -687 711 6 657 648 642 675 12 648 642 675 678 3 648 642 675 681 13 648 642 -675 681 14 648 642 -675 681 5 648 642 -675 681 6 648 657 666 669 3 648 657 666 672 3 642 648 657 666 12 642 675 681 687 2 636 642 648 657 12 636 642 675 678 3 636 642 675 681 19 636 642 -675 681 20 636 642 -675 681 21 636 642 -675 681 6 714 711 717 723 2 711 717 723 729 1 711 717 -723 729 4 711 717 -723 729 5 711 717 -723 729 6 711 717 723 759 7 711 717 -723 759 8 711 717 -723 759 9 711 717 -723 759 6 702 693 687 711 12 693 687 711 714 3 693 687 711 717 13 693 687 -711 717 14 693 687 -711 717 5 693 687 -711 717 6 687 693 702 705 3 687 693 702 708 3 687 711 717 723 2 681 687 693 702 12 681 687 711 714 3 681 687 711 717 19 681 687 -711 717 20 681 687 -711 717 21 681 687 -711 717 6 762 759 765 771 2 759 765 771 780 7 759 765 -771 780 8 759 765 -771 780 9 759 765 -771 780 6 747 729 723 759 12 735 729 723 759 12 729 723 759 762 3 729 723 759 765 13 729 723 -759 765 14 729 723 -759 765 5 729 723 -759 765 6 723 759 765 771 2 717 723 729 735 12 717 723 729 747 12 717 723 759 762 3 717 723 759 765 19 717 723 -759 765 20 717 723 -759 765 21 717 723 -759 765 6 783 780 786 792 2 780 786 792 798 1 780 786 -792 798 4 780 786 -792 798 5 780 786 -792 798 6 780 786 792 813 7 780 786 -792 813 8 780 786 -792 813 9 780 786 -792 813 6 771 780 786 792 2 765 771 780 783 3 765 771 780 786 19 765 771 -780 786 20 765 771 -780 786 21 765 771 -780 786 6 816 813 819 825 2 813 819 825 831 1 813 819 -825 831 4 813 819 -825 831 5 813 819 -825 831 6 813 819 825 855 7 813 819 -825 855 8 813 819 -825 855 9 813 819 -825 855 6 807 798 792 813 12 798 792 813 816 3 798 792 813 819 13 798 792 -813 819 14 798 792 -813 819 5 798 792 -813 819 6 792 813 819 825 2 786 792 798 807 12 786 792 813 816 3 786 792 813 819 19 786 792 -813 819 20 786 792 -813 819 21 786 792 -813 819 6 858 855 861 867 2 855 861 867 873 1 855 861 -867 873 4 855 861 -867 873 5 855 861 -867 873 6 855 861 867 921 7 855 861 -867 921 8 855 861 -867 921 9 855 861 -867 921 6 840 831 825 855 12 831 825 855 858 3 831 825 855 861 13 831 825 -855 861 14 831 825 -855 861 5 831 825 -855 861 6 825 831 840 843 3 825 831 840 846 13 825 831 -840 846 14 825 831 -840 846 5 825 831 -840 846 6 825 855 861 867 2 819 825 831 840 12 819 825 855 858 3 819 825 855 861 19 819 825 -855 861 20 819 825 -855 861 21 819 825 -855 861 6 924 921 927 933 2 921 927 933 942 7 921 927 -933 942 8 921 927 -933 942 9 921 927 -933 942 6 882 873 867 921 12 882 891 900 909 12 873 867 921 924 3 873 867 921 927 13 873 867 -921 927 14 873 867 -921 927 5 873 867 -921 927 6 873 882 891 900 27 873 882 -891 900 28 873 882 -891 900 29 867 873 882 891 27 867 873 -882 891 28 867 873 -882 891 29 867 921 927 933 2 861 867 873 882 12 861 867 921 924 3 861 867 921 927 19 861 867 -921 927 20 861 867 -921 927 21 861 867 -921 927 6 945 942 948 954 2 942 948 954 960 1 942 948 -954 960 4 942 948 -954 960 5 942 948 -954 960 6 942 948 954 972 7 942 948 -954 972 8 942 948 -954 972 9 942 948 -954 972 6 933 942 948 954 2 927 933 942 945 3 927 933 942 948 19 927 933 -942 948 20 927 933 -942 948 21 927 933 -942 948 6 975 972 978 984 2 972 978 984 990 1 972 978 -984 990 4 972 978 -984 990 5 972 978 -984 990 6 972 978 984 1029 7 972 978 -984 1029 8 972 978 -984 1029 9 972 978 -984 1029 6 960 954 972 975 3 960 954 972 978 13 960 954 -972 978 14 960 954 -972 978 5 960 954 -972 978 6 954 972 978 984 2 948 954 972 975 3 948 954 972 978 19 948 954 -972 978 20 948 954 -972 978 21 948 954 -972 978 6 1032 1029 1035 1041 2 1029 1035 1041 1047 1 1029 1035 -1041 1047 4 1029 1035 -1041 1047 5 1029 1035 -1041 1047 6 1029 1035 1041 1086 7 1029 1035 -1041 1086 8 1029 1035 -1041 1086 9 1029 1035 -1041 1086 6 1008 990 984 1029 12 996 990 984 1029 12 996 990 1008 1017 27 996 990 -1008 1017 28 996 990 -1008 1017 29 990 984 1029 1032 3 990 984 1029 1035 13 990 984 -1029 1035 14 990 984 -1029 1035 5 990 984 -1029 1035 6 984 990 1008 1017 27 984 990 -1008 1017 28 984 990 -1008 1017 29 984 1029 1035 1041 2 978 984 990 996 12 978 984 990 1008 12 978 984 1029 1032 3 978 984 1029 1035 19 978 984 -1029 1035 20 978 984 -1029 1035 21 978 984 -1029 1035 6 1089 1086 1092 1098 2 1086 1092 1098 1107 7 1086 1092 -1098 1107 8 1086 1092 -1098 1107 9 1086 1092 -1098 1107 6 1065 1047 1041 1086 12 1053 1047 1041 1086 12 1053 1047 1065 1074 27 1053 1047 -1065 1074 28 1053 1047 -1065 1074 29 1047 1041 1086 1089 3 1047 1041 1086 1092 13 1047 1041 -1086 1092 14 1047 1041 -1086 1092 5 1047 1041 -1086 1092 6 1041 1047 1065 1074 27 1041 1047 -1065 1074 28 1041 1047 -1065 1074 29 1041 1086 1092 1098 2 1035 1041 1047 1053 12 1035 1041 1047 1065 12 1035 1041 1086 1089 3 1035 1041 1086 1092 19 1035 1041 -1086 1092 20 1035 1041 -1086 1092 21 1035 1041 -1086 1092 6 1110 1107 1113 1119 2 1107 1113 1119 1125 1 1107 1113 -1119 1125 4 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 1098 1107 1113 1119 2 1092 1098 1107 1110 3 1092 1098 1107 1113 19 1092 1098 -1107 1113 20 1092 1098 -1107 1113 21 1092 1098 -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 1215 7 1164 1170 -1176 1215 8 1164 1170 -1176 1215 9 1164 1170 -1176 1215 6 1134 1125 1119 1164 12 1125 1119 1164 1167 3 1125 1119 1164 1170 13 1125 1119 -1164 1170 14 1125 1119 -1164 1170 5 1125 1119 -1164 1170 6 1119 1125 1134 1140 27 1119 1125 -1134 1140 28 1119 1125 -1134 1140 29 1119 1125 1134 1152 27 1119 1125 -1134 1152 28 1119 1125 -1134 1152 29 1119 1164 1170 1176 2 1113 1119 1125 1134 12 1113 1119 1164 1167 3 1113 1119 1164 1170 19 1113 1119 -1164 1170 20 1113 1119 -1164 1170 21 1113 1119 -1164 1170 6 1191 1182 1176 1215 12 1182 1176 1215 1218 3 1182 1176 1215 1221 3 1182 1191 1200 1203 33 1176 1182 1191 1200 12 1170 1176 1182 1191 12 1170 1176 1215 1218 3 1170 1176 1215 1221 3 12 69 -63 -66 34 36 51 -42 -45 35 30 57 -27 -18 35 75 114 -108 -111 34 90 102 -99 -105 34 120 162 -156 -159 34 168 213 -207 -210 34 174 201 -183 -186 35 219 264 -258 -261 34 225 252 -234 -237 35 270 315 -309 -312 34 285 300 -294 -297 34 321 381 -375 -378 34 387 438 -432 -435 34 444 486 -480 -483 34 492 546 -540 -543 34 510 534 -507 -498 35 552 606 -600 -603 34 570 594 -567 -558 35 612 636 -630 -633 34 642 681 -675 -678 34 657 669 -666 -672 34 687 717 -711 -714 34 693 705 -702 -708 34 723 765 -759 -762 34 771 786 -780 -783 34 792 819 -813 -816 34 825 861 -855 -858 34 831 846 -840 -843 34 867 927 -921 -924 34 933 948 -942 -945 34 954 978 -972 -975 34 984 1035 -1029 -1032 34 1041 1092 -1086 -1089 34 1098 1113 -1107 -1110 34 1119 1170 -1164 -1167 34 1176 1218 -1215 -1221 34 %FLAG EXCLUDED_ATOMS_LIST %FORMAT(10I8) 2 3 4 5 6 7 8 9 10 22 23 24 3 4 5 6 7 22 4 5 6 7 22 5 6 7 22 6 7 8 9 10 11 20 22 23 24 25 26 7 8 9 10 22 23 24 8 9 10 11 12 13 18 20 21 22 23 24 9 10 11 20 22 10 11 20 22 11 12 13 14 15 18 19 20 21 22 12 13 14 15 16 18 20 21 13 14 15 20 14 15 16 17 18 19 20 15 16 18 16 17 18 19 20 21 17 18 19 20 18 19 20 21 20 21 21 0 23 24 25 26 27 28 37 24 25 26 25 26 27 28 29 30 31 37 38 39 26 27 28 37 27 28 29 30 31 32 33 34 37 38 39 40 41 28 29 30 31 37 38 39 29 30 31 32 33 34 35 36 37 38 39 30 31 32 33 34 37 31 32 33 34 37 32 33 34 35 36 37 33 34 35 36 34 35 36 35 36 36 0 38 39 40 41 42 43 53 39 40 41 40 41 42 43 44 45 49 53 54 55 41 42 43 53 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 43 44 45 49 53 54 55 44 45 46 47 48 49 50 51 52 53 54 55 45 46 47 48 49 50 51 52 53 46 47 48 49 50 51 52 53 47 48 49 48 49 49 50 51 52 53 51 52 52 0 54 55 56 57 58 59 70 55 56 57 56 57 58 59 60 61 62 70 71 72 57 58 59 70 58 59 60 61 62 63 68 70 71 72 73 74 59 60 61 62 70 71 72 60 61 62 63 64 66 68 69 70 71 72 61 62 63 68 70 62 63 68 70 63 64 65 66 67 68 69 70 64 65 66 67 68 69 65 66 67 68 69 66 67 68 67 68 69 68 69 69 0 71 72 73 74 75 76 87 72 73 74 73 74 75 76 77 78 79 87 88 89 74 75 76 87 75 76 77 78 79 80 85 87 88 89 90 91 76 77 78 79 87 88 89 77 78 79 80 81 83 85 86 87 88 89 78 79 80 85 87 79 80 85 87 80 81 82 83 84 85 86 87 81 82 83 84 85 86 82 83 84 85 86 83 84 85 84 85 86 85 86 86 0 88 89 90 91 92 93 104 89 90 91 90 91 92 93 94 95 96 104 105 106 91 92 93 104 92 93 94 95 96 97 98 99 104 105 106 107 108 93 94 95 96 104 105 106 94 95 96 97 98 99 100 101 104 105 106 95 96 97 98 99 104 96 97 98 99 104 97 98 99 100 101 102 103 104 98 99 100 101 99 100 101 100 101 102 103 101 102 103 102 103 103 0 105 106 107 108 109 110 126 106 107 108 107 108 109 110 111 112 113 126 127 128 108 109 110 126 109 110 111 112 113 114 115 116 126 127 128 129 130 110 111 112 113 126 127 128 111 112 113 114 115 116 117 118 119 126 127 128 112 113 114 115 116 126 113 114 115 116 126 114 115 116 117 118 119 120 121 122 126 115 116 117 118 119 116 117 118 119 117 118 119 120 121 122 123 124 125 118 119 120 121 122 119 120 121 122 120 121 122 123 124 125 121 122 123 124 125 122 123 124 125 123 124 125 124 125 125 0 127 128 129 130 131 132 145 128 129 130 129 130 131 132 133 134 135 145 146 147 130 131 132 145 131 132 133 134 135 136 137 141 145 146 147 148 149 132 133 134 135 145 146 147 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 134 135 136 137 141 145 135 136 137 141 145 136 137 138 139 140 141 142 143 144 145 137 138 139 140 141 142 143 144 138 139 140 141 142 143 144 139 140 141 140 141 141 142 143 144 143 144 144 0 146 147 148 149 150 151 161 147 148 149 148 149 150 151 152 153 157 161 162 163 149 150 151 161 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 151 152 153 157 161 162 163 152 153 154 155 156 157 158 159 160 161 162 163 153 154 155 156 157 158 159 160 161 154 155 156 157 158 159 160 161 155 156 157 156 157 157 158 159 160 161 159 160 160 0 162 163 164 165 166 167 181 163 164 165 164 165 166 167 168 169 170 181 182 183 165 166 167 181 166 167 168 169 170 171 179 181 182 183 184 185 167 168 169 170 181 182 183 168 169 170 171 172 173 177 179 180 181 182 183 169 170 171 179 181 170 171 179 181 171 172 173 174 175 177 178 179 180 181 172 173 174 175 176 177 179 180 173 174 175 179 174 175 176 177 178 179 175 176 177 176 177 178 179 180 177 178 179 178 179 180 179 180 180 0 182 183 184 185 186 187 201 183 184 185 184 185 186 187 188 189 190 201 202 203 185 186 187 201 186 187 188 189 190 191 199 201 202 203 204 205 187 188 189 190 201 202 203 188 189 190 191 192 193 197 199 200 201 202 203 189 190 191 199 201 190 191 199 201 191 192 193 194 195 197 198 199 200 201 192 193 194 195 196 197 199 200 193 194 195 199 194 195 196 197 198 199 195 196 197 196 197 198 199 200 197 198 199 198 199 200 199 200 200 0 202 203 204 205 206 207 211 203 204 205 204 205 206 207 208 209 210 211 212 213 205 206 207 211 206 207 208 209 210 211 212 213 214 215 207 208 209 210 211 212 213 208 209 210 211 212 213 209 210 211 210 211 211 212 213 214 215 216 217 226 213 214 215 214 215 216 217 218 219 220 226 227 228 215 216 217 226 216 217 218 219 220 221 222 223 226 227 228 229 230 217 218 219 220 226 227 228 218 219 220 221 222 223 224 225 226 227 228 219 220 221 222 223 226 220 221 222 223 226 221 222 223 224 225 226 222 223 224 225 223 224 225 224 225 225 0 227 228 229 230 231 232 238 228 229 230 229 230 231 232 233 234 235 238 239 240 230 231 232 238 231 232 233 234 235 236 237 238 239 240 241 242 232 233 234 235 238 239 240 233 234 235 236 237 238 239 240 234 235 236 237 238 235 236 237 238 236 237 238 237 0 239 240 241 242 243 244 254 240 241 242 241 242 243 244 245 246 250 254 255 256 242 243 244 254 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 244 245 246 250 254 255 256 245 246 247 248 249 250 251 252 253 254 255 256 246 247 248 249 250 251 252 253 254 247 248 249 250 251 252 253 254 248 249 250 249 250 250 251 252 253 254 252 253 253 0 255 256 257 258 259 260 261 256 257 258 257 258 259 260 261 262 263 258 259 260 261 259 260 261 262 263 264 265 260 261 262 263 261 262 263 262 263 264 265 266 267 272 263 264 265 264 265 266 267 268 269 270 272 273 274 265 266 267 272 266 267 268 269 270 271 272 273 274 275 276 267 268 269 270 272 273 274 268 269 270 271 272 273 274 269 270 271 272 270 271 272 271 272 0 273 274 275 276 277 278 286 274 275 276 275 276 277 278 279 280 281 286 287 288 276 277 278 286 277 278 279 280 281 282 283 286 287 288 289 290 278 279 280 281 286 287 288 279 280 281 282 283 284 285 286 287 288 280 281 282 283 286 281 282 283 286 282 283 284 285 286 283 284 285 284 285 285 0 287 288 289 290 291 292 308 288 289 290 289 290 291 292 293 294 295 308 309 310 290 291 292 308 291 292 293 294 295 296 297 298 308 309 310 311 312 292 293 294 295 308 309 310 293 294 295 296 297 298 299 300 301 308 309 310 294 295 296 297 298 308 295 296 297 298 308 296 297 298 299 300 301 302 303 304 308 297 298 299 300 301 298 299 300 301 299 300 301 302 303 304 305 306 307 300 301 302 303 304 301 302 303 304 302 303 304 305 306 307 303 304 305 306 307 304 305 306 307 305 306 307 306 307 307 0 309 310 311 312 313 314 315 310 311 312 311 312 313 314 315 316 317 312 313 314 315 313 314 315 316 317 318 319 314 315 316 317 315 316 317 316 317 318 319 320 321 325 317 318 319 318 319 320 321 322 323 324 325 326 327 319 320 321 325 320 321 322 323 324 325 326 327 328 329 321 322 323 324 325 326 327 322 323 324 325 326 327 323 324 325 324 325 325 326 327 328 329 330 331 344 327 328 329 328 329 330 331 332 333 337 344 345 346 329 330 331 344 330 331 332 333 334 335 336 337 338 339 340 344 345 346 347 348 331 332 333 337 344 345 346 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 333 334 335 336 337 338 339 340 344 334 335 336 337 338 339 340 344 335 336 337 336 337 337 338 339 340 341 342 343 344 339 340 341 342 343 340 341 342 343 341 342 343 342 343 343 0 345 346 347 348 349 350 363 346 347 348 347 348 349 350 351 352 356 363 364 365 348 349 350 363 349 350 351 352 353 354 355 356 357 358 359 363 364 365 366 367 350 351 352 356 363 364 365 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 352 353 354 355 356 357 358 359 363 353 354 355 356 357 358 359 363 354 355 356 355 356 356 357 358 359 360 361 362 363 358 359 360 361 362 359 360 361 362 360 361 362 361 362 362 0 364 365 366 367 368 369 370 365 366 367 366 367 368 369 370 371 372 367 368 369 370 368 369 370 371 372 373 374 369 370 371 372 370 371 372 371 372 373 374 375 376 389 372 373 374 373 374 375 376 377 378 379 389 390 391 374 375 376 389 375 376 377 378 379 380 381 385 389 390 391 392 393 376 377 378 379 389 390 391 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 378 379 380 381 385 389 379 380 381 385 389 380 381 382 383 384 385 386 387 388 389 381 382 383 384 385 386 387 388 382 383 384 385 386 387 388 383 384 385 384 385 385 386 387 388 387 388 388 0 390 391 392 393 394 395 406 391 392 393 392 393 394 395 396 397 398 406 407 408 393 394 395 406 394 395 396 397 398 399 400 401 406 407 408 395 396 397 398 406 407 408 396 397 398 399 400 401 402 406 407 408 397 398 399 400 401 406 398 399 400 401 406 399 400 401 402 403 404 405 406 400 401 402 401 402 402 403 404 405 403 404 405 404 405 405 0 407 408 408 0 %FLAG HBOND_ACOEF %FORMAT(5E16.8) %FLAG HBOND_BCOEF %FORMAT(5E16.8) %FLAG HBCUT %FORMAT(5E16.8) %FLAG AMBER_ATOM_TYPE %FORMAT(20a4) N3 H H H CT HP CT HC HC CA CA HA CA HA C OH HO CA HA CA HA C O N H CT H1 CT HC HC CT HC HC C O2 O2 C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC CC NB CR H5 NA H CW H4 C O N H CT H1 CT HC HC CC NB CR H5 NA H CW H4 C O N H CT H1 CT HC HC CT HC HC C O N H H C O N H CT H1 CT HC HC CT HC HC CT HC HC CT HP HP N3 H H H C O N H CT H1 CT HC HC CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H CT H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA C O N H CT H1 CT HC HC HC C O N H CT H1 CT HC HC CT HC HC C O2 O2 C O N H CT H1 CT HC HC C O2 O2 C O N H CT H1 CT HC CT HC HC HC CT HC HC HC C O N H CT H1 H1 C O N H CT H1 CT H1 H1 OH HO C O N H CT H1 CT HC HC C O N H H C O N H CT H1 CT HC HC CT HC HC CT HC HC CT HP HP N3 H H H C O N H CT H1 H1 C O N H CT H1 CT HC HC HC C O N H CT H1 CT HC CT HC HC HC CT HC HC CT HC HC HC C O N H CT H1 CT HC CT HC HC HC CT HC HC CT HC HC HC C O N H CT H1 H1 C O N H CT H1 CT HC HC CT HC CT HC HC HC CT HC HC HC C O N H CT H1 CT HC HC CT H1 H1 S CT H1 H1 H1 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 M E M E 3 E E 3 E E B E E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E E B E S E B E B E M E M E M E 3 E E B E S E B E B 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 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 3 E E E 3 E E E M E M E M E 3 E E B B E B E B E S E S E M E M E M E 3 E E B B E B E B E S E S E M E M E M E 3 E E E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E E B E E M E M E M E 3 E 3 E E E 3 E E 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 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 E M E M E M E 3 E E E M E M E M E 3 E 3 E E E 3 E E 3 E E E M E M E M E 3 E 3 E E E 3 E E 3 E E E M E M E M E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E BLA 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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) 1.55000000E+00 1.30000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 8.00000000E-01 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+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 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+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 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.55000000E+00 1.70000000E+00 1.30000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.55000000E+00 1.70000000E+00 1.30000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+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 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+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 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+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 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+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 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+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 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+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 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+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 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+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 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.50000000E+00 8.00000000E-01 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+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 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+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 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+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 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+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 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+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 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+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 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.80000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.30000000E+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 7.20000000E-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 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 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 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 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 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 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 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 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 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 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 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 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 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 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 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 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 9.60000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01