%VERSION VERSION_STAMP = V0001.000 DATE = 05/22/06 12:10:21 %FLAG TITLE %FORMAT(20a4) %FLAG POINTERS %FORMAT(10I8) 249 11 221 31 34 43 73 65 0 0 505 69 31 43 65 15 20 7 11 0 0 0 0 0 0 0 0 1 45 0 0 %FLAG ATOM_NAME %FORMAT(20a4) C1 H1 N1 H2 C2 C3 H3 C4 H4 C5 H5 C6 H6 C7 H7 C8 C9 H8 C10 H9 C11 H10 C12 C13 H11 N2 O1 O2 C14 C15 C16 H12 C17 C18 N3 C19 H13 C20 H14 C21 H15 C22 H16 O3 H17 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 %FLAG CHARGE %FORMAT(5E16.8) 5.32455606E+00 1.53249543E+00 -1.33077457E+01 7.24518648E+00 2.47094388E+00 -3.38934780E+00 2.35067670E+00 -3.15792459E+00 2.61307782E+00 -1.78760763E+00 2.37436569E+00 -3.00121281E+00 2.40716583E+00 -1.79489655E+00 2.38712130E+00 -9.47559600E-01 -2.47094388E+00 2.77343406E+00 -2.25956520E+00 2.91192354E+00 -1.25551647E+00 3.11783553E+00 -3.19436919E+00 -1.23364971E+00 3.13970229E+00 1.11702699E+01 -6.51629448E+00 -6.54727239E+00 -2.22676506E+00 1.76756310E+00 -1.15711605E+00 2.66410026E+00 6.05709252E+00 -1.97347509E+00 -1.23474305E+01 -2.76250068E+00 2.54747754E+00 -1.49969529E+00 2.62036674E+00 -4.35330747E+00 2.70054486E+00 7.57683234E+00 4.70135340E-01 -9.26603955E+00 8.22736845E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 -1.51973982E+01 7.59869910E+00 7.59869910E+00 %FLAG MASS %FORMAT(5E16.8) 1.20100000E+01 1.00800000E+00 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+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 1.20100000E+01 1.00800000E+00 1.40100000E+01 1.60000000E+01 1.60000000E+01 1.20100000E+01 1.20100000E+01 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.20100000E+01 1.40100000E+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 1.60000000E+01 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 %FLAG ATOM_TYPE_INDEX %FORMAT(10I8) 1 2 3 4 5 5 6 5 6 5 6 5 6 5 6 5 5 6 5 6 5 6 5 5 6 3 7 7 5 5 5 6 5 5 3 5 6 5 6 5 6 5 8 9 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 11 10 10 %FLAG NUMBER_EXCLUDED_ATOMS %FORMAT(10I8) 20 9 14 5 11 8 4 6 3 5 3 3 2 1 1 12 9 4 7 3 7 3 5 4 1 2 1 1 10 10 7 3 11 9 7 4 1 5 3 3 2 1 1 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 %FLAG NONBONDED_PARM_INDEX %FORMAT(10I8) 1 2 4 7 11 16 22 29 37 46 56 2 3 5 8 12 17 23 30 38 47 57 4 5 6 9 13 18 24 31 39 48 58 7 8 9 10 14 19 25 32 40 49 59 11 12 13 14 15 20 26 33 41 50 60 16 17 18 19 20 21 27 34 42 51 61 22 23 24 25 26 27 28 35 43 52 62 29 30 31 32 33 34 35 36 44 53 63 37 38 39 40 41 42 43 44 45 54 64 46 47 48 49 50 51 52 53 54 55 65 56 57 58 59 60 61 62 63 64 65 66 %FLAG RESIDUE_LABEL %FORMAT(20a4) WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT %FLAG RESIDUE_POINTER %FORMAT(10I8) 1 46 49 52 55 58 61 64 67 70 73 76 79 82 85 88 91 94 97 100 103 106 109 112 115 118 121 124 127 130 133 136 139 142 145 148 151 154 157 160 163 166 169 172 175 178 181 184 187 190 193 196 199 202 205 208 211 214 217 220 223 226 229 232 235 238 241 244 247 %FLAG BOND_FORCE_CONSTANT %FORMAT(5E16.8) 3.35900000E+02 3.32700000E+02 3.23500000E+02 4.01200000E+02 4.49000000E+02 4.78400000E+02 3.44300000E+02 3.22600000E+02 7.61200000E+02 3.86100000E+02 4.83100000E+02 3.42900000E+02 3.69600000E+02 5.53000000E+02 5.53000000E+02 %FLAG BOND_EQUIL_VALUE %FORMAT(5E16.8) 1.09300000E+00 1.45800000E+00 1.51300000E+00 1.01400000E+00 1.36400000E+00 1.38700000E+00 1.08700000E+00 1.46800000E+00 1.21900000E+00 1.36200000E+00 1.34200000E+00 1.08800000E+00 9.74000000E-01 9.57200000E-01 1.51360000E+00 %FLAG ANGLE_FORCE_CONSTANT %FORMAT(5E16.8) 4.97000000E+01 4.68000000E+01 6.69590000E+01 6.36000000E+01 4.65000000E+01 6.46000000E+01 4.96000000E+01 6.93000000E+01 6.72000000E+01 4.85000000E+01 6.38000000E+01 6.69000000E+01 6.87000000E+01 7.64000000E+01 6.98000000E+01 6.92000000E+01 6.86000000E+01 5.18000000E+01 4.82000000E+01 4.89000000E+01 %FLAG ANGLE_EQUIL_VALUE %FORMAT(5E16.8) 1.91916485E+00 1.93644358E+00 1.90537673E+00 1.96297267E+00 2.00625678E+00 2.05547508E+00 1.98601102E+00 2.09666488E+00 2.09387242E+00 2.09457057E+00 2.10539153E+00 2.08636750E+00 2.06123470E+00 2.22616847E+00 2.09334884E+00 2.14029813E+00 2.02213935E+00 2.02353564E+00 2.11342003E+00 1.91061277E+00 %FLAG DIHEDRAL_FORCE_CONSTANT %FORMAT(5E16.8) 0.00000000E+00 1.05000000E+00 3.62500000E+00 6.00000000E-01 9.00000000E-01 4.80000000E+00 1.10000000E+00 %FLAG DIHEDRAL_PERIODICITY %FORMAT(5E16.8) 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 %FLAG DIHEDRAL_PHASE %FORMAT(5E16.8) 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 %FLAG SOLTY %FORMAT(5E16.8) 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 %FLAG LENNARD_JONES_ACOEF %FORMAT(5E16.8) 1.04308023E+06 6.78771368E+04 3.25969625E+03 9.95480466E+05 6.20665997E+04 9.44293233E+05 2.56678134E+03 5.94667300E+01 2.12601181E+03 1.39982777E-01 9.24822270E+05 6.01816484E+04 8.82619071E+05 2.27577561E+03 8.19971662E+05 8.59947003E+04 4.33325458E+03 7.91627154E+04 8.90987508E+01 7.62451550E+04 5.71629601E+03 6.47841731E+05 3.69471530E+04 6.06829342E+05 1.02595236E+03 5.74393458E+05 4.77908183E+04 3.79876399E+05 7.18621074E+04 3.50301067E+03 6.58473870E+04 6.63368273E+01 6.37148278E+04 4.64559155E+03 3.93690817E+04 3.76169105E+03 7.91544157E+05 4.66922514E+04 7.44975864E+05 1.40467023E+03 7.01803794E+05 6.00750218E+04 4.71003287E+05 4.96707306E+04 5.81803229E+05 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 7.85890042E+05 4.75728872E+04 7.42364908E+05 1.52094041E+03 6.96790708E+05 6.09592309E+04 4.72934643E+05 5.05435913E+04 5.82511344E+05 0.00000000E+00 5.81935564E+05 %FLAG LENNARD_JONES_BCOEF %FORMAT(5E16.8) 6.75612247E+02 1.06076943E+02 1.43076527E+01 7.36907417E+02 1.13252061E+02 8.01323529E+02 2.06278363E+01 1.93248820E+00 2.09604198E+01 9.37598976E-02 5.99015525E+02 9.40505980E+01 6.53361429E+02 1.82891803E+01 5.31102864E+02 1.18043746E+02 1.63092814E+01 1.26451907E+02 2.33864085E+00 1.04660679E+02 1.85196588E+01 6.26720080E+02 9.21192136E+01 6.77220874E+02 1.53505284E+01 5.55666448E+02 1.03580945E+02 5.64885984E+02 1.07908863E+02 1.46638650E+01 1.15327881E+02 2.01792524E+00 9.56748258E+01 1.66953734E+01 9.40124296E+01 1.50233639E+01 6.93079947E+02 1.03606917E+02 7.50714425E+02 1.79702257E+01 6.14502845E+02 1.16187983E+02 6.29300710E+02 1.05648788E+02 6.99746810E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 6.36687196E+02 9.64152120E+01 6.90894667E+02 1.72393904E+01 5.64503554E+02 1.07902982E+02 5.81361517E+02 9.82532117E+01 6.45512297E+02 0.00000000E+00 5.94825035E+02 %FLAG BONDS_INC_HYDROGEN %FORMAT(10I8) 0 3 1 6 9 4 15 18 7 21 24 7 27 30 7 33 36 7 39 42 7 48 51 7 54 57 7 60 63 7 69 72 7 90 93 7 105 108 7 111 114 7 117 120 7 123 126 12 129 132 13 135 138 14 135 141 14 138 141 15 144 147 14 144 150 14 147 150 15 153 156 14 153 159 14 156 159 15 162 165 14 162 168 14 165 168 15 171 174 14 171 177 14 174 177 15 180 183 14 180 186 14 183 186 15 189 192 14 189 195 14 192 195 15 198 201 14 198 204 14 201 204 15 207 210 14 207 213 14 210 213 15 216 219 14 216 222 14 219 222 15 225 228 14 225 231 14 228 231 15 234 237 14 234 240 14 237 240 15 243 246 14 243 249 14 246 249 15 252 255 14 252 258 14 255 258 15 261 264 14 261 267 14 264 267 15 270 273 14 270 276 14 273 276 15 279 282 14 279 285 14 282 285 15 288 291 14 288 294 14 291 294 15 297 300 14 297 303 14 300 303 15 306 309 14 306 312 14 309 312 15 315 318 14 315 321 14 318 321 15 324 327 14 324 330 14 327 330 15 333 336 14 333 339 14 336 339 15 342 345 14 342 348 14 345 348 15 351 354 14 351 357 14 354 357 15 360 363 14 360 366 14 363 366 15 369 372 14 369 375 14 372 375 15 378 381 14 378 384 14 381 384 15 387 390 14 387 393 14 390 393 15 396 399 14 396 402 14 399 402 15 405 408 14 405 411 14 408 411 15 414 417 14 414 420 14 417 420 15 423 426 14 423 429 14 426 429 15 432 435 14 432 438 14 435 438 15 441 444 14 441 447 14 444 447 15 450 453 14 450 456 14 453 456 15 459 462 14 459 465 14 462 465 15 468 471 14 468 474 14 471 474 15 477 480 14 477 483 14 480 483 15 486 489 14 486 492 14 489 492 15 495 498 14 495 501 14 498 501 15 504 507 14 504 510 14 507 510 15 513 516 14 513 519 14 516 519 15 522 525 14 522 528 14 525 528 15 531 534 14 531 537 14 534 537 15 540 543 14 540 546 14 543 546 15 549 552 14 549 555 14 552 555 15 558 561 14 558 564 14 561 564 15 567 570 14 567 573 14 570 573 15 576 579 14 576 582 14 579 582 15 585 588 14 585 591 14 588 591 15 594 597 14 594 600 14 597 600 15 603 606 14 603 609 14 606 609 15 612 615 14 612 618 14 615 618 15 621 624 14 621 627 14 624 627 15 630 633 14 630 636 14 633 636 15 639 642 14 639 645 14 642 645 15 648 651 14 648 654 14 651 654 15 657 660 14 657 663 14 660 663 15 666 669 14 666 672 14 669 672 15 675 678 14 675 681 14 678 681 15 684 687 14 684 690 14 687 690 15 693 696 14 693 699 14 696 699 15 702 705 14 702 708 14 705 708 15 711 714 14 711 717 14 714 717 15 720 723 14 720 726 14 723 726 15 729 732 14 729 735 14 732 735 15 738 741 14 738 744 14 741 744 15 %FLAG BONDS_WITHOUT_HYDROGEN %FORMAT(10I8) 0 6 2 0 45 3 0 84 3 6 12 5 12 15 6 12 21 6 15 27 6 21 39 6 27 33 6 33 39 6 45 48 6 45 54 6 48 60 6 54 69 6 60 66 6 66 69 6 66 75 8 75 78 9 75 81 9 84 87 6 84 90 6 87 96 6 87 129 10 90 105 6 96 99 6 96 102 11 99 105 6 99 111 6 102 123 11 111 117 6 117 123 6 %FLAG ANGLES_INC_HYDROGEN %FORMAT(10I8) 3 0 6 1 3 0 45 2 3 0 84 2 0 6 9 5 9 6 12 7 12 15 18 10 18 15 27 10 12 21 24 10 24 21 39 10 15 27 30 10 30 27 33 10 27 33 36 10 36 33 39 10 21 39 42 10 33 39 42 10 45 48 51 10 51 48 60 10 45 54 57 10 57 54 69 10 48 60 63 10 63 60 66 10 54 69 72 10 66 69 72 10 84 90 93 10 93 90 105 10 90 105 108 10 99 105 108 10 99 111 114 10 114 111 117 10 111 117 120 10 120 117 123 10 102 123 126 18 117 123 126 19 87 129 132 20 %FLAG ANGLES_WITHOUT_HYDROGEN %FORMAT(10I8) 6 0 45 3 6 0 84 3 45 0 84 4 0 6 12 6 6 12 15 8 6 12 21 8 15 12 21 9 12 15 27 9 12 21 39 9 15 27 33 9 27 33 39 9 21 39 33 9 0 45 48 11 0 45 54 11 48 45 54 9 45 48 60 9 45 54 69 9 48 60 66 9 60 66 69 9 60 66 75 12 69 66 75 12 54 69 66 9 66 75 78 13 66 75 81 13 78 75 81 14 0 84 87 11 0 84 90 11 87 84 90 9 84 87 96 9 84 87 129 15 96 87 129 15 84 90 105 9 87 96 99 9 87 96 102 16 99 96 102 16 96 99 105 9 96 99 111 9 105 99 111 9 96 102 123 17 90 105 99 9 99 111 117 9 111 117 123 9 102 123 117 16 %FLAG DIHEDRALS_INC_HYDROGEN %FORMAT(10I8) 3 0 6 9 1 3 0 6 12 1 45 0 6 9 1 84 0 6 9 1 3 0 45 48 1 3 0 45 54 1 3 0 84 87 1 3 0 84 90 1 9 6 12 15 2 9 6 12 21 2 6 12 15 18 3 21 12 15 18 3 6 12 21 24 3 15 12 21 24 3 12 15 27 30 3 18 15 27 30 3 18 15 27 33 3 12 21 39 42 3 24 21 39 33 3 24 21 39 42 3 15 27 33 36 3 30 27 33 36 3 30 27 33 39 3 27 33 39 42 3 36 33 39 21 3 36 33 39 42 3 0 45 48 51 3 54 45 48 51 3 0 45 54 57 3 48 45 54 57 3 45 48 60 63 3 51 48 60 63 3 51 48 60 66 3 45 54 69 72 3 57 54 69 66 3 57 54 69 72 3 63 60 66 69 3 63 60 66 75 3 60 66 69 72 3 75 66 69 72 3 0 84 90 93 3 87 84 90 93 3 84 87 129 132 5 96 87 129 132 5 84 90 105 108 3 93 90 105 99 3 93 90 105 108 3 96 99 105 108 3 111 99 105 108 3 96 99 111 114 3 105 99 111 114 3 96 102 123 126 6 99 111 117 120 3 114 111 117 120 3 114 111 117 123 3 111 117 123 126 3 120 117 123 102 3 120 117 123 126 3 0 12 -6 -9 7 12 27 -15 -18 7 12 39 -21 -24 7 15 33 -27 -30 7 27 39 -33 -36 7 21 33 -39 -42 7 45 60 -48 -51 7 45 69 -54 -57 7 48 66 -60 -63 7 54 66 -69 -72 7 84 105 -90 -93 7 90 99 -105 -108 7 99 117 -111 -114 7 111 123 -117 -120 7 117 126 -123 -102 7 %FLAG DIHEDRALS_WITHOUT_HYDROGEN %FORMAT(10I8) 45 0 6 12 1 84 0 6 12 1 6 0 45 48 1 6 0 45 54 1 84 0 45 48 1 84 0 45 54 1 6 0 84 87 1 6 0 84 90 1 45 0 84 87 1 45 0 84 90 1 0 6 12 15 2 0 6 12 21 2 6 12 15 27 3 21 12 15 27 3 6 12 21 39 3 15 12 21 39 3 12 15 27 33 3 12 21 -39 33 3 15 27 -33 39 3 27 33 -39 21 3 0 45 48 60 3 54 45 48 60 3 0 45 54 69 3 48 45 54 69 3 45 48 60 66 3 45 54 -69 66 3 48 60 -66 69 3 48 60 66 75 3 60 66 -69 54 3 75 66 69 54 3 60 66 75 78 4 60 66 75 81 4 69 66 75 78 4 69 66 75 81 4 0 84 87 96 3 0 84 87 129 3 90 84 87 96 3 90 84 87 129 3 0 84 90 105 3 87 84 90 105 3 84 87 96 99 3 84 87 96 102 3 129 87 96 99 3 129 87 96 102 3 84 90 -105 99 3 87 96 -99 105 3 87 96 99 111 3 102 96 99 105 3 102 96 99 111 3 87 96 102 123 6 99 96 102 123 6 96 99 -105 90 3 111 99 105 90 3 96 99 111 117 3 105 99 111 117 3 96 102 -123 117 6 99 111 -117 123 3 111 117 -123 102 3 15 21 -12 -6 7 48 54 -45 0 7 60 69 -66 -75 7 87 90 -84 0 7 84 96 -87 -129 7 87 99 -96 -102 7 96 105 -99 -111 7 %FLAG EXCLUDED_ATOMS_LIST %FORMAT(10I8) 2 3 4 5 6 8 16 17 18 19 20 21 24 29 30 31 32 33 36 44 3 4 5 16 17 19 29 30 31 4 5 6 7 8 9 10 14 16 17 19 29 30 31 5 6 8 16 29 6 7 8 9 10 11 12 14 15 16 29 7 8 9 10 11 12 13 14 8 10 11 12 9 10 12 13 14 15 12 14 15 11 12 13 14 15 12 13 14 13 14 15 14 15 15 0 17 18 19 20 21 22 23 24 25 29 30 31 18 19 20 21 22 23 24 26 29 19 21 22 23 20 21 23 24 25 26 29 23 24 25 22 23 24 25 26 27 28 23 24 26 24 25 26 27 28 25 26 27 28 26 27 28 28 0 30 31 32 33 34 35 36 37 44 45 31 32 33 34 35 36 38 42 44 45 32 33 34 36 37 38 44 34 36 37 34 35 36 37 38 39 40 42 43 44 45 35 36 37 38 39 40 41 42 44 36 38 40 41 42 43 44 37 38 39 40 38 39 40 41 42 43 40 41 42 41 42 43 42 43 43 0 45 0 47 48 48 0 50 51 51 0 53 54 54 0 56 57 57 0 59 60 60 0 62 63 63 0 65 66 66 0 68 69 69 0 71 72 72 0 74 75 75 0 77 78 78 0 80 81 81 0 83 84 84 0 86 87 87 0 89 90 90 0 92 93 93 0 95 96 96 0 98 99 99 0 101 102 102 0 104 105 105 0 107 108 108 0 110 111 111 0 113 114 114 0 116 117 117 0 119 120 120 0 122 123 123 0 125 126 126 0 128 129 129 0 131 132 132 0 134 135 135 0 137 138 138 0 140 141 141 0 143 144 144 0 146 147 147 0 149 150 150 0 152 153 153 0 155 156 156 0 158 159 159 0 161 162 162 0 164 165 165 0 167 168 168 0 170 171 171 0 173 174 174 0 176 177 177 0 179 180 180 0 182 183 183 0 185 186 186 0 188 189 189 0 191 192 192 0 194 195 195 0 197 198 198 0 200 201 201 0 203 204 204 0 206 207 207 0 209 210 210 0 212 213 213 0 215 216 216 0 218 219 219 0 221 222 222 0 224 225 225 0 227 228 228 0 230 231 231 0 233 234 234 0 236 237 237 0 239 240 240 0 242 243 243 0 245 246 246 0 248 249 249 0 %FLAG HBOND_ACOEF %FORMAT(5E16.8) %FLAG HBOND_BCOEF %FORMAT(5E16.8) %FLAG HBCUT %FORMAT(5E16.8) %FLAG AMBER_ATOM_TYPE %FORMAT(20a4) c3 h1 nh hn ca ca ha ca ha ca ha ca ha ca ha ca ca ha ca ha ca ha ca ca ha no o o ca ca ca ha ca ca nb ca ha ca ha ca ha ca h4 oh ho OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW %FLAG TREE_CHAIN_CLASSIFICATION %FORMAT(20a4) BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA 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 %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 %FLAG SOLVENT_POINTERS %FORMAT(3I8) 1 69 2 %FLAG ATOMS_PER_MOLECULE %FORMAT(10I8) 249 %FLAG BOX_DIMENSIONS %FORMAT(5E16.8) 1.09471219E+02 1.71627955E+01 1.71627955E+01 1.71627955E+01 %FLAG RADIUS_SET %FORMAT(1a80) modified Bondi radii (mbondi) %FLAG RADII %FORMAT(5E16.8) 1.70000000E+00 1.30000000E+00 1.55000000E+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 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.70000000E+00 1.30000000E+00 1.55000000E+00 1.50000000E+00 1.50000000E+00 1.70000000E+00 1.70000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.70000000E+00 1.55000000E+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 1.50000000E+00 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 %FLAG SCREEN %FORMAT(5E16.8) 7.20000000E-01 8.50000000E-01 7.90000000E-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 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 7.20000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 7.20000000E-01 7.90000000E-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 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01