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3 5 5 3 8 8 12 3 8 8 8 6 7 1 2 3 8 3 8 8 9 10 6 7 1 2 3 8 3 5 5 3 5 3 5 5 5 3 5 5 5 6 7 1 2 3 8 3 5 5 6 1 2 6 13 1 2 6 14 6 7 1 2 3 8 3 5 5 6 7 7 6 7 1 2 3 8 3 8 8 12 2 6 7 1 2 3 8 3 5 5 3 5 3 5 5 5 3 5 5 5 6 7 1 2 3 8 3 5 5 3 8 8 12 3 8 8 8 6 7 1 2 3 8 3 5 5 3 5 5 3 5 5 3 4 4 1 2 2 2 6 7 1 2 3 8 3 5 5 5 6 7 1 2 3 8 3 5 5 3 5 3 5 5 5 3 5 5 5 6 7 1 2 3 8 3 5 5 3 5 5 3 5 5 3 4 4 1 2 2 2 6 7 1 2 3 8 3 5 3 5 5 5 3 5 5 5 6 7 1 2 3 8 3 5 5 3 5 5 3 8 8 1 2 6 1 2 2 1 2 2 6 7 1 2 3 8 8 6 7 1 2 3 8 3 5 5 3 5 3 5 5 5 3 5 5 5 6 7 1 2 3 8 3 5 5 3 5 5 6 7 1 2 2 6 7 1 3 8 8 3 5 5 3 5 5 3 8 6 7 1 2 3 8 3 5 5 3 5 5 6 7 7 6 7 1 2 3 8 3 8 8 12 2 6 7 1 2 3 8 3 8 8 12 2 6 7 1 2 3 8 3 5 5 5 6 7 1 2 3 8 3 5 3 5 5 5 3 5 5 5 6 7 1 2 3 8 3 5 5 6 6 11 6 11 6 11 6 11 6 11 6 7 1 2 3 8 3 5 5 3 5 5 3 8 8 1 2 6 1 2 2 1 2 2 6 7 1 2 3 8 3 5 5 3 5 3 5 5 5 3 5 5 5 6 7 1 2 3 8 3 5 5 3 5 3 5 5 5 3 5 5 5 6 7 1 2 3 8 3 5 5 6 1 2 6 13 1 6 14 6 7 1 2 3 8 3 5 5 3 5 5 6 7 7 6 7 1 2 3 8 3 5 5 6 1 2 6 13 1 2 6 14 6 7 1 2 3 8 3 5 5 3 5 5 3 5 5 3 4 4 1 2 2 2 6 7 1 2 3 8 8 6 7 1 2 3 8 3 5 5 3 5 5 3 5 5 3 4 4 1 2 2 2 6 7 1 2 3 8 3 5 5 3 5 5 3 5 5 3 4 4 1 2 2 2 6 7 1 2 3 8 3 5 5 5 6 7 1 2 3 8 3 5 5 3 5 5 3 8 8 1 2 6 1 2 2 1 2 2 6 7 1 2 3 8 3 5 5 3 5 3 5 5 5 3 5 5 5 6 7 1 2 3 8 3 5 5 6 7 7 6 7 1 2 3 8 3 5 5 6 6 14 1 2 6 6 11 6 11 6 11 6 11 6 6 7 1 2 3 8 3 5 5 6 7 1 2 2 6 7 1 2 3 8 3 8 3 5 5 5 9 10 6 7 1 2 3 8 3 5 5 6 7 7 6 7 1 2 3 8 3 5 5 5 6 7 1 2 3 8 3 5 5 5 6 7 1 2 3 8 3 8 8 9 10 6 7 1 2 3 8 3 5 5 3 5 3 5 5 5 3 5 5 5 6 7 1 2 3 8 3 5 3 5 5 5 3 5 5 3 5 5 5 6 7 1 2 3 8 8 6 7 1 2 3 8 3 5 5 3 5 5 6 7 7 6 7 1 2 3 8 3 5 5 3 5 5 6 7 7 6 7 1 2 3 8 3 5 5 3 5 3 5 5 5 3 5 5 5 6 7 1 2 3 8 3 5 5 3 5 5 6 7 1 2 2 6 7 1 2 3 8 3 5 3 5 5 5 3 5 5 5 6 7 1 2 3 8 3 5 5 6 7 7 6 7 1 2 3 8 3 5 5 6 6 11 6 11 6 11 6 11 6 11 6 7 1 2 3 8 3 5 5 3 5 3 5 5 5 3 5 5 5 6 7 7 %FLAG NUMBER_EXCLUDED_ATOMS %FORMAT(10I8) 12 6 5 4 12 7 10 5 4 5 3 2 1 1 7 3 10 4 14 7 10 7 6 3 2 1 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 13 7 12 6 5 9 5 4 7 4 3 8 3 6 5 2 1 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 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 10 3 14 11 6 5 8 5 4 7 4 3 6 3 7 3 10 4 12 7 10 5 4 5 3 2 1 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 13 7 11 6 5 8 4 3 4 3 2 1 1 7 3 10 4 13 7 12 6 5 9 5 4 7 4 3 8 3 6 5 2 1 2 1 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 12 7 10 5 4 5 3 2 1 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 13 7 12 6 5 9 5 4 7 4 3 8 3 6 5 2 1 2 1 1 7 3 10 4 12 7 10 5 4 5 3 2 1 1 7 3 7 4 7 4 3 7 3 10 4 13 7 10 6 5 8 3 2 4 3 2 1 1 7 3 10 4 11 7 7 4 3 2 1 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 10 4 12 7 12 5 4 9 7 4 5 3 3 2 1 1 7 3 10 4 12 7 8 5 4 3 1 1 7 3 10 4 11 7 7 4 3 2 1 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 10 4 13 7 10 6 5 8 3 2 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 10 7 6 3 2 1 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 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 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 13 7 12 6 5 9 5 4 7 4 3 8 3 6 5 2 1 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 13 7 11 6 5 8 4 3 4 3 2 1 1 10 3 14 11 6 5 8 5 4 7 4 3 6 3 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 11 7 7 4 3 2 1 7 3 10 4 11 7 7 4 3 2 1 7 3 10 4 10 7 6 3 2 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 13 7 12 6 5 9 5 4 7 4 3 8 3 6 5 2 1 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 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 10 4 12 7 12 5 4 8 6 4 4 2 2 1 1 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 12 7 12 5 4 9 7 4 5 3 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 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 13 7 12 6 5 9 5 4 7 4 3 8 3 6 5 2 1 2 1 1 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 10 4 12 7 8 5 4 3 1 1 7 3 10 4 12 7 12 5 4 11 7 4 7 3 8 7 4 6 3 4 3 2 1 1 7 3 10 4 12 7 10 5 4 5 3 2 1 1 7 3 10 4 14 7 10 7 6 3 2 1 2 1 7 3 10 4 12 7 8 5 4 3 1 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 11 7 7 4 3 2 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 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 11 6 5 6 4 3 2 1 1 7 3 10 4 13 7 11 6 5 6 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 13 7 11 6 5 8 4 3 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 8 5 4 3 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 11 7 15 6 5 10 8 7 3 2 1 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) ASN THR ILE ARG VAL PHE LEU PRO ASN LYS GLN ARG THR VAL VAL ASN VAL ARG ASN GLY MET SER LEU HIP ASP CYS LEU MET LYS ALA LEU LYS VAL ARG GLY LEU GLN PRO GLU CYS CYS ALA VAL PHE ARG LEU LEU HID GLU HIP LYS GLY LYS LYS ALA ARG LEU ASP TRP ASN THR ASP ALA ALA SER LEU ILE GLY GLU GLU LEU GLN VAL ASP PHE LEU %FLAG RESIDUE_POINTER %FORMAT(10I8) 1 17 31 50 74 90 110 129 143 157 179 196 220 234 250 266 280 296 320 334 341 358 369 388 406 418 429 448 465 487 497 516 538 554 578 585 604 621 635 650 661 672 682 698 718 742 761 780 797 812 830 852 859 881 903 913 937 956 968 992 1006 1020 1032 1042 1052 1063 1082 1101 1108 1123 1138 1157 1174 1190 1202 1222 %FLAG BOND_FORCE_CONSTANT %FORMAT(5E16.8) 5.70000000E+02 4.90000000E+02 4.34000000E+02 3.40000000E+02 3.17000000E+02 3.40000000E+02 3.10000000E+02 4.34000000E+02 3.67000000E+02 5.53000000E+02 3.40000000E+02 3.20000000E+02 3.37000000E+02 4.34000000E+02 4.81000000E+02 3.37000000E+02 3.67000000E+02 4.69000000E+02 3.17000000E+02 2.27000000E+02 3.67000000E+02 4.34000000E+02 4.27000000E+02 3.67000000E+02 4.77000000E+02 4.22000000E+02 5.18000000E+02 3.17000000E+02 6.56000000E+02 2.74000000E+02 2.37000000E+02 3.67000000E+02 4.10000000E+02 4.88000000E+02 5.12000000E+02 4.69000000E+02 4.69000000E+02 4.47000000E+02 4.28000000E+02 5.46000000E+02 3.88000000E+02 3.17000000E+02 %FLAG BOND_EQUIL_VALUE %FORMAT(5E16.8) 1.22900000E+00 1.33500000E+00 1.01000000E+00 1.09000000E+00 1.52200000E+00 1.09000000E+00 1.52600000E+00 1.01000000E+00 1.47100000E+00 9.60000000E-01 1.09000000E+00 1.41000000E+00 1.44900000E+00 1.01000000E+00 1.34000000E+00 1.46300000E+00 1.08000000E+00 1.40000000E+00 1.51000000E+00 1.81000000E+00 1.08000000E+00 1.01000000E+00 1.38100000E+00 1.08000000E+00 1.34300000E+00 1.38500000E+00 1.37100000E+00 1.50400000E+00 1.25000000E+00 1.33600000E+00 1.81000000E+00 1.08000000E+00 1.39400000E+00 1.33500000E+00 1.37500000E+00 1.40400000E+00 1.40000000E+00 1.41900000E+00 1.38000000E+00 1.35200000E+00 1.45900000E+00 1.49500000E+00 %FLAG ANGLE_FORCE_CONSTANT %FORMAT(5E16.8) 8.00000000E+01 5.00000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 3.50000000E+01 6.30000000E+01 8.00000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 8.00000000E+01 8.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 5.50000000E+01 5.00000000E+01 4.00000000E+01 5.00000000E+01 5.00000000E+01 8.00000000E+01 6.30000000E+01 3.50000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 5.00000000E+01 8.00000000E+01 5.00000000E+01 6.30000000E+01 5.00000000E+01 7.00000000E+01 6.30000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 6.20000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 6.30000000E+01 8.00000000E+01 7.00000000E+01 5.00000000E+01 4.30000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 5.00000000E+01 6.30000000E+01 6.30000000E+01 5.00000000E+01 6.30000000E+01 6.30000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 6.30000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 6.30000000E+01 6.30000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 6.30000000E+01 %FLAG ANGLE_EQUIL_VALUE %FORMAT(5E16.8) 2.14501057E+00 2.09439600E+00 2.12755727E+00 2.09439600E+00 1.91113635E+00 1.91113635E+00 1.93906163E+00 2.10137732E+00 2.03505478E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.94080696E+00 1.94080696E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.89368305E+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 1.91113635E+00 1.91113635E+00 2.06647072E+00 2.15024656E+00 1.94080696E+00 2.09439600E+00 2.09439600E+00 1.91113635E+00 2.09439600E+00 1.98967620E+00 2.05948940E+00 1.91113635E+00 1.91113635E+00 1.72613137E+00 2.00189351E+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 2.09439600E+00 2.09439600E+00 2.09439600E+00 1.91113635E+00 2.09439600E+00 2.09439600E+00 1.97396823E+00 2.19911580E+00 2.04203610E+00 1.91113635E+00 1.67551680E+00 1.89542838E+00 2.09439600E+00 2.09439600E+00 2.04203610E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.14151991E+00 2.09439600E+00 2.09439600E+00 2.02807346E+00 2.14850123E+00 2.31779824E+00 1.82212452E+00 1.85703112E+00 1.94778828E+00 2.09439600E+00 1.89717371E+00 1.89891904E+00 2.35445017E+00 1.91113635E+00 2.18166250E+00 2.24449438E+00 2.01760148E+00 %FLAG DIHEDRAL_FORCE_CONSTANT %FORMAT(5E16.8) 2.00000000E+00 2.50000000E+00 0.00000000E+00 5.30000000E-01 1.50000000E-01 5.00000000E-01 8.00000000E-01 8.50000000E-01 1.55555556E-01 8.00000000E-02 7.00000000E-02 1.00000000E-01 2.50000000E-01 0.00000000E+00 1.60000000E-01 1.66666667E-01 1.70000000E+00 2.00000000E+00 1.50000000E-01 2.00000000E-01 2.50000000E-01 1.80000000E-01 2.40000000E+00 3.62500000E+00 3.33333333E-01 1.50000000E+00 2.32500000E+00 1.40000000E+00 5.37500000E+00 2.50000000E-01 5.00000000E+00 5.15000000E+00 3.00000000E+00 3.50000000E+00 1.52500000E+00 6.52500000E+00 1.67500000E+00 1.05000000E+01 1.00000000E+00 1.10000000E+00 %FLAG DIHEDRAL_PERIODICITY %FORMAT(5E16.8) 1.00000000E+00 2.00000000E+00 2.00000000E+00 1.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 3.00000000E+00 2.00000000E+00 4.00000000E+00 1.00000000E+00 3.00000000E+00 3.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 2.00000000E+00 2.00000000E+00 3.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 3.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 %FLAG DIHEDRAL_PHASE %FORMAT(5E16.8) 0.00000000E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 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 %FLAG SOLTY %FORMAT(5E16.8) 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 %FLAG LENNARD_JONES_ACOEF %FORMAT(5E16.8) 9.44293233E+05 2.12601181E+03 1.39982777E-01 9.95480466E+05 2.56678134E+03 1.04308023E+06 2.01791425E+04 9.14716912E+00 2.27401052E+04 2.01823541E+02 8.96776989E+04 1.07193646E+02 9.71708117E+04 1.41077189E+03 7.51607703E+03 8.82619071E+05 2.27577561E+03 9.24822270E+05 2.01619733E+04 8.61541883E+04 8.19971662E+05 6.06829342E+05 1.02595236E+03 6.47841731E+05 1.12780457E+04 5.44261042E+04 5.74393458E+05 3.79876399E+05 6.20665997E+04 5.94667300E+01 6.78771368E+04 8.79040886E+02 4.98586848E+03 6.01816484E+04 3.69471530E+04 3.25969625E+03 7.44975864E+05 1.40467023E+03 7.91544157E+05 1.45985502E+04 6.82786631E+04 7.01803794E+05 4.71003287E+05 4.66922514E+04 5.81803229E+05 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 7.91627154E+04 8.90987508E+01 8.59947003E+04 1.21014911E+03 6.55825601E+03 7.62451550E+04 4.77908183E+04 4.33325458E+03 6.00750218E+04 0.00000000E+00 5.71629601E+03 2.01562190E+06 5.97860700E+03 2.09861767E+06 4.93469320E+04 2.02461849E+05 1.86068943E+06 1.32911052E+06 1.42791446E+05 1.61587928E+06 0.00000000E+00 1.79647996E+05 4.19430400E+06 5.46147253E+04 4.90239937E+01 5.98885646E+04 7.50063100E+02 4.33325458E+03 5.30987710E+04 3.23283631E+04 2.82099197E+03 4.09427581E+04 0.00000000E+00 3.76169105E+03 1.26338489E+05 2.43828624E+03 6.58473870E+04 6.63368273E+01 7.18621074E+04 9.55000044E+02 5.34045360E+03 6.37148278E+04 3.93690817E+04 3.50301067E+03 4.96707306E+04 0.00000000E+00 4.64559155E+03 1.50848032E+05 3.03448006E+03 3.76169105E+03 %FLAG LENNARD_JONES_BCOEF %FORMAT(5E16.8) 8.01323529E+02 2.09604198E+01 9.37598976E-02 7.36907417E+02 2.06278363E+01 6.75612247E+02 6.45756063E+01 7.57919667E-01 6.13981767E+01 3.56012899E+00 1.36131731E+02 2.59456373E+00 1.26919150E+02 9.41257003E+00 2.17257828E+01 6.53361429E+02 1.82891803E+01 5.99015525E+02 5.44372326E+01 1.12529845E+02 5.31102864E+02 6.77220874E+02 1.53505284E+01 6.26720080E+02 5.08951803E+01 1.11805549E+02 5.55666448E+02 5.64885984E+02 1.13252061E+02 1.93248820E+00 1.06076943E+02 7.42992380E+00 1.76949863E+01 9.40505980E+01 9.21192136E+01 1.43076527E+01 7.50714425E+02 1.79702257E+01 6.93079947E+02 5.79323581E+01 1.25287818E+02 6.14502845E+02 6.29300710E+02 1.03606917E+02 6.99746810E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.26451907E+02 2.33864085E+00 1.18043746E+02 8.61880722E+00 2.00642027E+01 1.04660679E+02 1.03580945E+02 1.63092814E+01 1.16187983E+02 0.00000000E+00 1.85196588E+01 1.28923404E+03 3.87070358E+01 1.17824605E+03 1.11203892E+02 2.25248294E+02 1.04466382E+03 1.10369829E+03 1.89165096E+02 1.21753341E+03 0.00000000E+00 2.09772716E+02 2.04800000E+03 1.05031585E+02 1.73473071E+00 9.85097219E+01 6.78541827E+00 1.63092814E+01 8.73413012E+01 8.51921330E+01 1.31591746E+01 9.59185913E+01 0.00000000E+00 1.50233639E+01 1.75916126E+02 1.20953369E+01 1.15327881E+02 2.01792524E+00 1.07908863E+02 7.65648470E+00 1.81057616E+01 9.56748258E+01 9.40124296E+01 1.46638650E+01 1.05648788E+02 0.00000000E+00 1.66953734E+01 1.92224012E+02 1.34932874E+01 1.50233639E+01 %FLAG BONDS_INC_HYDROGEN %FORMAT(10I8) 33 36 3 33 39 3 18 21 4 18 24 4 12 15 6 0 3 8 0 6 8 0 9 8 78 81 10 66 69 4 66 72 4 66 75 4 60 63 11 54 57 11 48 51 3 129 132 4 129 135 4 129 138 4 120 123 4 120 126 4 108 111 4 108 114 4 108 117 4 102 105 4 96 99 11 90 93 3 204 207 14 204 210 14 195 198 14 195 201 14 186 189 14 177 180 11 177 183 11 168 171 4 168 174 4 159 162 4 159 165 4 153 156 11 147 150 3 249 252 4 249 255 4 249 258 4 237 240 4 237 243 4 237 246 4 231 234 4 225 228 11 219 222 3 315 318 17 309 312 17 303 306 17 297 300 17 291 294 17 279 282 4 279 285 4 273 276 11 267 270 3 366 369 4 366 372 4 366 375 4 354 357 4 354 360 4 354 363 4 348 351 4 339 342 4 339 345 4 333 336 11 327 330 3 414 417 11 405 408 4 405 411 4 396 399 4 396 402 4 387 390 11 387 393 11 453 456 3 453 459 3 438 441 4 438 444 4 432 435 11 426 429 3 516 519 8 516 522 8 516 525 8 507 510 6 507 513 6 498 501 4 498 504 4 489 492 4 489 495 4 480 483 4 480 486 4 474 477 11 468 471 3 570 573 3 570 576 3 555 558 4 555 561 4 546 549 4 546 552 4 540 543 11 534 537 3 642 645 14 642 648 14 633 636 14 633 639 14 624 627 14 615 618 11 615 621 11 606 609 4 606 612 4 597 600 4 597 603 4 591 594 11 585 588 3 687 690 10 675 678 4 675 681 4 675 684 4 669 672 11 663 666 11 657 660 3 729 732 4 729 735 4 729 738 4 717 720 4 717 723 4 717 726 4 711 714 4 705 708 11 699 702 3 777 780 4 777 783 4 777 786 4 765 768 4 765 771 4 765 774 4 759 762 4 753 756 11 747 750 3 822 825 3 822 828 3 807 810 4 807 813 4 801 804 11 795 798 3 867 870 4 867 873 4 867 876 4 855 858 4 855 861 4 855 864 4 849 852 4 843 846 11 837 840 3 942 945 14 942 948 14 933 936 14 933 939 14 924 927 14 915 918 11 915 921 11 906 909 4 906 912 4 897 900 4 897 903 4 891 894 11 885 888 3 984 987 3 984 990 3 969 972 4 969 975 4 963 966 11 957 960 3 1005 1008 11 1005 1011 11 999 1002 3 1053 1056 11 1053 1059 11 1053 1062 11 1041 1044 11 1041 1047 11 1032 1035 4 1032 1038 4 1026 1029 11 1020 1023 3 1092 1095 10 1083 1086 11 1083 1089 11 1077 1080 11 1071 1074 3 1143 1146 4 1143 1149 4 1143 1152 4 1131 1134 4 1131 1137 4 1131 1140 4 1125 1128 4 1116 1119 4 1116 1122 4 1110 1113 11 1104 1107 3 1203 1206 21 1197 1200 22 1191 1194 24 1185 1188 22 1173 1176 4 1173 1179 4 1167 1170 11 1161 1164 3 1227 1230 4 1227 1233 4 1221 1224 11 1215 1218 3 1272 1275 30 1263 1266 11 1263 1269 11 1257 1260 11 1251 1254 3 1323 1326 4 1323 1329 4 1323 1332 4 1311 1314 4 1311 1317 4 1311 1320 4 1305 1308 4 1296 1299 4 1296 1302 4 1290 1293 11 1284 1287 3 1374 1377 11 1374 1380 11 1374 1383 11 1362 1365 11 1362 1368 11 1353 1356 4 1353 1359 4 1347 1350 11 1341 1344 3 1440 1443 8 1440 1446 8 1440 1449 8 1431 1434 6 1431 1437 6 1422 1425 4 1422 1428 4 1413 1416 4 1413 1419 4 1404 1407 4 1404 1410 4 1398 1401 11 1392 1395 3 1470 1473 4 1470 1476 4 1470 1479 4 1464 1467 11 1458 1461 3 1527 1530 4 1527 1533 4 1527 1536 4 1515 1518 4 1515 1521 4 1515 1524 4 1509 1512 4 1500 1503 4 1500 1506 4 1494 1497 11 1488 1491 3 1593 1596 8 1593 1599 8 1593 1602 8 1584 1587 6 1584 1590 6 1575 1578 4 1575 1581 4 1566 1569 4 1566 1572 4 1557 1560 4 1557 1563 4 1551 1554 11 1545 1548 3 1641 1644 4 1641 1647 4 1641 1650 4 1629 1632 4 1629 1635 4 1629 1638 4 1623 1626 4 1617 1620 11 1611 1614 3 1716 1719 14 1716 1722 14 1707 1710 14 1707 1713 14 1698 1701 14 1689 1692 11 1689 1695 11 1680 1683 4 1680 1686 4 1671 1674 4 1671 1677 4 1665 1668 11 1659 1662 3 1737 1740 11 1737 1743 11 1731 1734 3 1791 1794 4 1791 1797 4 1791 1800 4 1779 1782 4 1779 1785 4 1779 1788 4 1773 1776 4 1764 1767 4 1764 1770 4 1758 1761 11 1752 1755 3 1845 1848 3 1845 1851 3 1830 1833 4 1830 1836 4 1821 1824 4 1821 1827 4 1815 1818 11 1809 1812 3 1890 1893 11 1881 1884 4 1881 1887 4 1872 1875 4 1872 1878 4 1863 1866 11 1863 1869 11 1923 1926 4 1923 1929 4 1914 1917 4 1914 1920 4 1908 1911 11 1902 1905 3 1968 1971 30 1959 1962 11 1959 1965 11 1953 1956 11 1947 1950 3 2001 2004 30 1992 1995 11 1992 1998 11 1986 1989 11 1980 1983 3 2025 2028 4 2025 2031 4 2025 2034 4 2019 2022 11 2013 2016 3 2073 2076 4 2073 2079 4 2073 2082 4 2061 2064 4 2061 2067 4 2061 2070 4 2055 2058 4 2049 2052 11 2043 2046 3 2139 2142 17 2133 2136 17 2127 2130 17 2121 2124 17 2115 2118 17 2103 2106 4 2103 2109 4 2097 2100 11 2091 2094 3 2208 2211 14 2208 2214 14 2199 2202 14 2199 2205 14 2190 2193 14 2181 2184 11 2181 2187 11 2172 2175 4 2172 2178 4 2163 2166 4 2163 2169 4 2157 2160 11 2151 2154 3 2262 2265 4 2262 2268 4 2262 2271 4 2250 2253 4 2250 2256 4 2250 2259 4 2244 2247 4 2235 2238 4 2235 2241 4 2229 2232 11 2223 2226 3 2319 2322 4 2319 2325 4 2319 2328 4 2307 2310 4 2307 2313 4 2307 2316 4 2301 2304 4 2292 2295 4 2292 2298 4 2286 2289 11 2280 2283 3 2376 2379 32 2367 2370 24 2361 2364 22 2349 2352 4 2349 2355 4 2343 2346 11 2337 2340 3 2409 2412 4 2409 2415 4 2400 2403 4 2400 2406 4 2394 2397 11 2388 2391 3 2475 2478 21 2469 2472 22 2463 2466 24 2457 2460 22 2445 2448 4 2445 2451 4 2439 2442 11 2433 2436 3 2535 2538 8 2535 2541 8 2535 2544 8 2526 2529 6 2526 2532 6 2517 2520 4 2517 2523 4 2508 2511 4 2508 2514 4 2499 2502 4 2499 2505 4 2493 2496 11 2487 2490 3 2559 2562 11 2559 2565 11 2553 2556 3 2622 2625 8 2622 2628 8 2622 2631 8 2613 2616 6 2613 2619 6 2604 2607 4 2604 2610 4 2595 2598 4 2595 2601 4 2586 2589 4 2586 2592 4 2580 2583 11 2574 2577 3 2688 2691 8 2688 2694 8 2688 2697 8 2679 2682 6 2679 2685 6 2670 2673 4 2670 2676 4 2661 2664 4 2661 2667 4 2652 2655 4 2652 2658 4 2646 2649 11 2640 2643 3 2718 2721 4 2718 2724 4 2718 2727 4 2712 2715 11 2706 2709 3 2793 2796 14 2793 2799 14 2784 2787 14 2784 2790 14 2775 2778 14 2766 2769 11 2766 2772 11 2757 2760 4 2757 2763 4 2748 2751 4 2748 2754 4 2742 2745 11 2736 2739 3 2847 2850 4 2847 2853 4 2847 2856 4 2835 2838 4 2835 2841 4 2835 2844 4 2829 2832 4 2820 2823 4 2820 2826 4 2814 2817 11 2808 2811 3 2877 2880 4 2877 2883 4 2871 2874 11 2865 2868 3 2958 2961 17 2952 2955 17 2946 2949 17 2940 2943 17 2931 2934 22 2925 2928 21 2913 2916 4 2913 2919 4 2907 2910 11 2901 2904 3 3000 3003 3 3000 3006 3 2985 2988 4 2985 2991 4 2979 2982 11 2973 2976 3 3045 3048 10 3033 3036 4 3033 3039 4 3033 3042 4 3027 3030 11 3021 3024 11 3015 3018 3 3069 3072 4 3069 3075 4 3063 3066 11 3057 3060 3 3105 3108 4 3105 3111 4 3105 3114 4 3099 3102 11 3093 3096 3 3135 3138 4 3135 3141 4 3135 3144 4 3129 3132 11 3123 3126 3 3174 3177 10 3165 3168 11 3165 3171 11 3159 3162 11 3153 3156 3 3225 3228 4 3225 3231 4 3225 3234 4 3213 3216 4 3213 3219 4 3213 3222 4 3207 3210 4 3198 3201 4 3198 3204 4 3192 3195 11 3186 3189 3 3282 3285 4 3282 3288 4 3282 3291 4 3273 3276 4 3273 3279 4 3261 3264 4 3261 3267 4 3261 3270 4 3255 3258 4 3249 3252 11 3243 3246 3 3306 3309 11 3306 3312 11 3300 3303 3 3342 3345 4 3342 3348 4 3333 3336 4 3333 3339 4 3327 3330 11 3321 3324 3 3387 3390 4 3387 3393 4 3378 3381 4 3378 3384 4 3372 3375 11 3366 3369 3 3450 3453 4 3450 3456 4 3450 3459 4 3438 3441 4 3438 3444 4 3438 3447 4 3432 3435 4 3423 3426 4 3423 3429 4 3417 3420 11 3411 3414 3 3504 3507 3 3504 3510 3 3489 3492 4 3489 3495 4 3480 3483 4 3480 3486 4 3474 3477 11 3468 3471 3 3549 3552 4 3549 3555 4 3549 3558 4 3537 3540 4 3537 3543 4 3537 3546 4 3531 3534 4 3525 3528 11 3519 3522 3 3579 3582 4 3579 3585 4 3573 3576 11 3567 3570 3 3651 3654 17 3645 3648 17 3639 3642 17 3633 3636 17 3627 3630 17 3615 3618 4 3615 3621 4 3609 3612 11 3603 3606 3 3702 3705 4 3702 3708 4 3702 3711 4 3690 3693 4 3690 3696 4 3690 3699 4 3684 3687 4 3675 3678 4 3675 3681 4 3669 3672 11 3663 3666 3 %FLAG BONDS_WITHOUT_HYDROGEN %FORMAT(10I8) 42 45 1 42 48 2 27 30 1 27 33 2 18 27 5 12 18 7 12 42 5 0 12 9 84 87 1 84 90 2 60 66 7 60 78 12 54 60 7 54 84 5 48 54 13 141 144 1 141 147 2 120 129 7 102 108 7 102 120 7 96 102 7 96 141 5 90 96 13 213 216 1 213 219 2 192 195 15 192 204 15 186 192 15 177 186 16 168 177 7 159 168 7 153 159 7 153 213 5 147 153 13 261 264 1 261 267 2 231 237 7 231 249 7 225 231 7 225 261 5 219 225 13 321 324 1 321 327 2 309 315 18 303 309 18 297 303 18 291 297 18 288 291 18 288 315 18 279 288 19 273 279 7 273 321 5 267 273 13 378 381 1 378 384 2 348 354 7 348 366 7 339 348 7 333 339 7 333 378 5 327 333 13 420 423 1 420 426 2 414 420 5 405 414 7 396 405 7 387 396 7 384 387 13 384 414 13 462 465 1 462 468 2 447 450 1 447 453 2 438 447 5 432 438 7 432 462 5 426 432 13 528 531 1 528 534 2 507 516 9 498 507 7 489 498 7 480 489 7 474 480 7 474 528 5 468 474 13 579 582 1 579 585 2 564 567 1 564 570 2 555 564 5 546 555 7 540 546 7 540 579 5 534 540 13 651 654 1 651 657 2 630 633 15 630 642 15 624 630 15 615 624 16 606 615 7 597 606 7 591 597 7 591 651 5 585 591 13 693 696 1 693 699 2 669 675 7 669 687 12 663 669 7 663 693 5 657 663 13 741 744 1 741 747 2 711 717 7 711 729 7 705 711 7 705 741 5 699 705 13 789 792 1 789 795 2 759 765 7 759 777 7 753 759 7 753 789 5 747 753 13 831 834 1 831 837 2 816 819 1 816 822 2 807 816 5 801 807 7 801 831 5 795 801 13 879 882 1 879 885 2 849 855 7 849 867 7 843 849 7 843 879 5 837 843 13 951 954 1 951 957 2 930 933 15 930 942 15 924 930 15 915 924 16 906 915 7 897 906 7 891 897 7 891 951 5 885 891 13 993 996 1 993 999 2 978 981 1 978 984 2 969 978 5 963 969 7 963 993 5 957 963 13 1014 1017 1 1014 1020 2 1005 1014 5 999 1005 13 1065 1068 1 1065 1071 2 1050 1053 20 1041 1050 20 1032 1041 7 1026 1032 7 1026 1065 5 1020 1026 13 1098 1101 1 1098 1104 2 1083 1092 12 1077 1083 7 1077 1098 5 1071 1077 13 1155 1158 1 1155 1161 2 1125 1131 7 1125 1143 7 1116 1125 7 1110 1116 7 1110 1155 5 1104 1110 13 1209 1212 1 1209 1215 2 1197 1203 23 1191 1197 25 1185 1191 25 1182 1185 26 1182 1203 27 1173 1182 28 1167 1173 7 1167 1209 5 1161 1167 13 1245 1248 1 1245 1251 2 1236 1239 29 1236 1242 29 1227 1236 5 1221 1227 7 1221 1245 5 1215 1221 13 1278 1281 1 1278 1284 2 1263 1272 31 1257 1263 7 1257 1278 5 1251 1257 13 1335 1338 1 1335 1341 2 1305 1311 7 1305 1323 7 1296 1305 7 1290 1296 7 1290 1335 5 1284 1290 13 1386 1389 1 1386 1392 2 1371 1374 20 1362 1371 20 1353 1362 7 1347 1353 7 1347 1386 5 1341 1347 13 1452 1455 1 1452 1458 2 1431 1440 9 1422 1431 7 1413 1422 7 1404 1413 7 1398 1404 7 1398 1452 5 1392 1398 13 1482 1485 1 1482 1488 2 1464 1470 7 1464 1482 5 1458 1464 13 1539 1542 1 1539 1545 2 1509 1515 7 1509 1527 7 1500 1509 7 1494 1500 7 1494 1539 5 1488 1494 13 1605 1608 1 1605 1611 2 1584 1593 9 1575 1584 7 1566 1575 7 1557 1566 7 1551 1557 7 1551 1605 5 1545 1551 13 1653 1656 1 1653 1659 2 1623 1629 7 1623 1641 7 1617 1623 7 1617 1653 5 1611 1617 13 1725 1728 1 1725 1731 2 1704 1707 15 1704 1716 15 1698 1704 15 1689 1698 16 1680 1689 7 1671 1680 7 1665 1671 7 1665 1725 5 1659 1665 13 1746 1749 1 1746 1752 2 1737 1746 5 1731 1737 13 1803 1806 1 1803 1809 2 1773 1779 7 1773 1791 7 1764 1773 7 1758 1764 7 1758 1803 5 1752 1758 13 1854 1857 1 1854 1860 2 1839 1842 1 1839 1845 2 1830 1839 5 1821 1830 7 1815 1821 7 1815 1854 5 1809 1815 13 1896 1899 1 1896 1902 2 1890 1896 5 1881 1890 7 1872 1881 7 1863 1872 7 1860 1863 13 1860 1890 13 1941 1944 1 1941 1947 2 1932 1935 29 1932 1938 29 1923 1932 5 1914 1923 7 1908 1914 7 1908 1941 5 1902 1908 13 1974 1977 1 1974 1980 2 1959 1968 31 1953 1959 7 1953 1974 5 1947 1953 13 2007 2010 1 2007 2013 2 1992 2001 31 1986 1992 7 1986 2007 5 1980 1986 13 2037 2040 1 2037 2043 2 2019 2025 7 2019 2037 5 2013 2019 13 2085 2088 1 2085 2091 2 2055 2061 7 2055 2073 7 2049 2055 7 2049 2085 5 2043 2049 13 2145 2148 1 2145 2151 2 2133 2139 18 2127 2133 18 2121 2127 18 2115 2121 18 2112 2115 18 2112 2139 18 2103 2112 19 2097 2103 7 2097 2145 5 2091 2097 13 2217 2220 1 2217 2223 2 2196 2199 15 2196 2208 15 2190 2196 15 2181 2190 16 2172 2181 7 2163 2172 7 2157 2163 7 2157 2217 5 2151 2157 13 2274 2277 1 2274 2280 2 2244 2250 7 2244 2262 7 2235 2244 7 2229 2235 7 2229 2274 5 2223 2229 13 2331 2334 1 2331 2337 2 2301 2307 7 2301 2319 7 2292 2301 7 2286 2292 7 2286 2331 5 2280 2286 13 2382 2385 1 2382 2388 2 2373 2376 33 2367 2373 34 2361 2367 25 2358 2361 26 2358 2376 35 2349 2358 28 2343 2349 7 2343 2382 5 2337 2343 13 2427 2430 1 2427 2433 2 2418 2421 29 2418 2424 29 2409 2418 5 2400 2409 7 2394 2400 7 2394 2427 5 2388 2394 13 2481 2484 1 2481 2487 2 2469 2475 23 2463 2469 25 2457 2463 25 2454 2457 26 2454 2475 27 2445 2454 28 2439 2445 7 2439 2481 5 2433 2439 13 2547 2550 1 2547 2553 2 2526 2535 9 2517 2526 7 2508 2517 7 2499 2508 7 2493 2499 7 2493 2547 5 2487 2493 13 2568 2571 1 2568 2574 2 2559 2568 5 2553 2559 13 2634 2637 1 2634 2640 2 2613 2622 9 2604 2613 7 2595 2604 7 2586 2595 7 2580 2586 7 2580 2634 5 2574 2580 13 2700 2703 1 2700 2706 2 2679 2688 9 2670 2679 7 2661 2670 7 2652 2661 7 2646 2652 7 2646 2700 5 2640 2646 13 2730 2733 1 2730 2736 2 2712 2718 7 2712 2730 5 2706 2712 13 2802 2805 1 2802 2808 2 2781 2784 15 2781 2793 15 2775 2781 15 2766 2775 16 2757 2766 7 2748 2757 7 2742 2748 7 2742 2802 5 2736 2742 13 2859 2862 1 2859 2865 2 2829 2835 7 2829 2847 7 2820 2829 7 2814 2820 7 2814 2859 5 2808 2814 13 2895 2898 1 2895 2901 2 2886 2889 29 2886 2892 29 2877 2886 5 2871 2877 7 2871 2895 5 2865 2871 13 2967 2970 1 2967 2973 2 2958 2964 36 2952 2958 18 2946 2952 18 2940 2946 18 2937 2940 37 2937 2964 38 2931 2937 39 2925 2931 23 2922 2925 40 2922 2964 41 2913 2922 42 2907 2913 7 2907 2967 5 2901 2907 13 3009 3012 1 3009 3015 2 2994 2997 1 2994 3000 2 2985 2994 5 2979 2985 7 2979 3009 5 2973 2979 13 3051 3054 1 3051 3057 2 3027 3033 7 3027 3045 12 3021 3027 7 3021 3051 5 3015 3021 13 3087 3090 1 3087 3093 2 3078 3081 29 3078 3084 29 3069 3078 5 3063 3069 7 3063 3087 5 3057 3063 13 3117 3120 1 3117 3123 2 3099 3105 7 3099 3117 5 3093 3099 13 3147 3150 1 3147 3153 2 3129 3135 7 3129 3147 5 3123 3129 13 3180 3183 1 3180 3186 2 3165 3174 12 3159 3165 7 3159 3180 5 3153 3159 13 3237 3240 1 3237 3243 2 3207 3213 7 3207 3225 7 3198 3207 7 3192 3198 7 3192 3237 5 3186 3192 13 3294 3297 1 3294 3300 2 3273 3282 7 3255 3261 7 3255 3273 7 3249 3255 7 3249 3294 5 3243 3249 13 3315 3318 1 3315 3321 2 3306 3315 5 3300 3306 13 3360 3363 1 3360 3366 2 3351 3354 29 3351 3357 29 3342 3351 5 3333 3342 7 3327 3333 7 3327 3360 5 3321 3327 13 3405 3408 1 3405 3411 2 3396 3399 29 3396 3402 29 3387 3396 5 3378 3387 7 3372 3378 7 3372 3405 5 3366 3372 13 3462 3465 1 3462 3468 2 3432 3438 7 3432 3450 7 3423 3432 7 3417 3423 7 3417 3462 5 3411 3417 13 3513 3516 1 3513 3519 2 3498 3501 1 3498 3504 2 3489 3498 5 3480 3489 7 3474 3480 7 3474 3513 5 3468 3474 13 3561 3564 1 3561 3567 2 3531 3537 7 3531 3549 7 3525 3531 7 3525 3561 5 3519 3525 13 3597 3600 1 3597 3603 2 3588 3591 29 3588 3594 29 3579 3588 5 3573 3579 7 3573 3597 5 3567 3573 13 3657 3660 1 3657 3663 2 3645 3651 18 3639 3645 18 3633 3639 18 3627 3633 18 3624 3627 18 3624 3651 18 3615 3624 19 3609 3615 7 3609 3657 5 3603 3609 13 3714 3717 29 3714 3720 29 3684 3690 7 3684 3702 7 3675 3684 7 3669 3675 7 3669 3714 5 3663 3669 13 %FLAG ANGLES_INC_HYDROGEN %FORMAT(10I8) 42 48 51 2 36 33 39 4 27 33 36 2 27 33 39 2 24 18 27 5 21 18 24 6 21 18 27 5 15 12 18 10 15 12 42 11 12 18 21 12 12 18 24 12 9 0 12 13 6 0 9 14 6 0 12 13 3 0 6 14 3 0 9 14 3 0 12 13 0 12 15 15 84 90 93 2 72 66 75 6 69 66 72 6 69 66 75 6 63 60 66 19 63 60 78 20 60 66 69 12 60 66 72 12 60 66 75 12 60 78 81 21 57 54 60 19 57 54 84 22 54 60 63 19 51 48 54 24 48 54 57 25 141 147 150 2 135 129 138 6 132 129 135 6 132 129 138 6 126 120 129 12 123 120 126 6 123 120 129 12 120 129 132 12 120 129 135 12 120 129 138 12 114 108 117 6 111 108 114 6 111 108 117 6 105 102 108 12 105 102 120 12 102 108 111 12 102 108 114 12 102 108 117 12 102 120 123 12 102 120 126 12 99 96 102 19 99 96 141 22 96 102 105 12 93 90 96 24 90 96 99 25 213 219 222 2 207 204 210 28 198 195 201 28 192 195 198 30 192 195 201 30 192 204 207 30 192 204 210 30 189 186 192 30 183 177 186 31 180 177 183 32 180 177 186 31 177 186 189 33 174 168 177 12 171 168 174 6 171 168 177 12 168 177 180 19 168 177 183 19 165 159 168 12 162 159 165 6 162 159 168 12 159 168 171 12 159 168 174 12 156 153 159 19 156 153 213 22 153 159 162 12 153 159 165 12 150 147 153 24 147 153 156 25 261 267 270 2 255 249 258 6 252 249 255 6 252 249 258 6 243 237 246 6 240 237 243 6 240 237 246 6 234 231 237 12 234 231 249 12 231 237 240 12 231 237 243 12 231 237 246 12 231 249 252 12 231 249 255 12 231 249 258 12 228 225 231 19 228 225 261 22 225 231 234 12 222 219 225 24 219 225 228 25 321 327 330 2 312 309 315 36 309 315 318 36 306 303 309 36 303 309 312 36 300 297 303 36 297 303 306 36 294 291 297 36 291 297 300 36 288 291 294 36 288 315 318 36 285 279 288 38 282 279 285 6 282 279 288 38 276 273 279 19 276 273 321 22 273 279 282 12 273 279 285 12 270 267 273 24 267 273 276 25 372 366 375 6 369 366 372 6 369 366 375 6 360 354 363 6 357 354 360 6 357 354 363 6 351 348 354 12 351 348 366 12 348 354 357 12 348 354 360 12 348 354 363 12 348 366 369 12 348 366 372 12 348 366 375 12 345 339 348 12 342 339 345 6 342 339 348 12 339 348 351 12 336 333 339 19 336 333 378 22 333 339 342 12 333 339 345 12 330 327 333 24 327 333 336 25 420 426 429 2 417 414 420 22 411 405 414 12 408 405 411 6 408 405 414 12 405 414 417 19 402 396 405 12 399 396 402 6 399 396 405 12 396 405 408 12 396 405 411 12 393 387 396 19 390 387 393 32 390 387 396 19 387 396 399 12 387 396 402 12 384 387 390 25 384 387 393 25 384 414 417 25 462 468 471 2 456 453 459 4 447 453 456 2 447 453 459 2 444 438 447 5 441 438 444 6 441 438 447 5 435 432 438 19 435 432 462 22 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