NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
647045 | 6r14 | 34378 | cing | 1-original | 1 | unknown | unknown |
# Restraints file 1: kiteplatin_start.prmtop %VERSION VERSION_STAMP = V0001.000 DATE = 02/01/16 17:40:11 %FLAG TITLE %FORMAT(20a4) default_name %FLAG POINTERS %FORMAT(10I8) 780 18 285 556 673 858 1363 1568 0 0 4397 25 556 858 1568 54 119 53 32 0 0 0 0 0 0 0 0 0 53 0 0 %FLAG ATOM_NAME %FORMAT(20a4) HO5'O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2' H2''O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2' H2''O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 C7 H71 H72 H73 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2' H2''O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2' H2''O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2' H2''O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' C3' H3' C2' H2' H2''O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' C3' H3' C2' H2' H2''O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2' H2''O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2' H2''O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 C7 H71 H72 H73 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2' H2''O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2' H2''O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2' H2''O3' HO3'HO5'O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2' H2''O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2' H2''O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2' H2''O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2' H2''O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2' H2''O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2' H2''O3' P OP1 OP2 O5' C5' H5' H5'' C4' H4' O4' C1' H1' N1 C6 H6 C5 H5 C4 N4 H41 H42 N3 C2 O2 C3' H3' C2' H2' H2''O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N1 C6 H6 C5 C7 H71 H72 H73 C4 O4 N3 H3 C2 O2 C3' H3' C2' H2' H2''O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2' H2''O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 N6 H61 H62 N1 C2 H2 N3 C4 C3' H3' C2' H2' H2''O3' P OP1 OP2 O5' C5' H5' H5''C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2' H2''O3' P OP1 OP2 O5' C5' H5' H5'' C4' H4' O4' C1' H1' N9 C8 H8 N7 C5 C6 O6 N1 H1 C2 N2 H21 H22 N3 C4 C3' H3' C2' H2' H2''O3' HO3'C2 H N C N4 C5 N3 H3 H2 N2 H1 C4 O C3 N1 PT N10 H18 C15 C10 H7 H8 C11 H10 H9 C12 N11 H20 H19 H11 C13 C14 H15 H14 H13 H12 H16 H17 N6 C6 H23 N5 C1 N9 C9 N8 H6 H5 N7 H4 C8 O1 C7 %FLAG CHARGE %FORMAT(5E16.8) 8.05790106E+00 -1.15128491E+01 -1.25733870E-01 1.37396142E+00 1.37396142E+00 2.96841267E+00 2.14294248E+00 -6.72585093E+00 -2.11378680E-01 3.57703749E+00 -6.17735970E-01 -3.33468090E-01 4.17837339E+00 -9.51568506E+00 3.39481449E+00 1.53777990E+01 -1.78086538E+01 7.86110022E+00 7.86110022E+00 -1.41186380E+01 1.45031286E+01 -1.19319620E+01 1.29924999E+00 1.79489655E+00 -1.55618442E+00 1.30836114E+00 1.30836114E+00 -9.53390736E+00 2.12453796E+01 -1.41423270E+01 -1.41423270E+01 -9.02732742E+00 -1.25733870E-01 1.37396142E+00 1.37396142E+00 2.96841267E+00 2.14294248E+00 -6.72585093E+00 -2.11378680E-01 3.57703749E+00 -6.17735970E-01 -3.33468090E-01 4.17837339E+00 -9.51568506E+00 3.39481449E+00 1.53777990E+01 -1.78086538E+01 7.86110022E+00 7.86110022E+00 -1.41186380E+01 1.45031286E+01 -1.19319620E+01 1.29924999E+00 1.79489655E+00 -1.55618442E+00 1.30836114E+00 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1.20100000E+01 1.00800000E+00 1.40100000E+01 1.20100000E+01 1.00800000E+00 1.40100000E+01 1.20100000E+01 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.40100000E+01 1.00800000E+00 1.00800000E+00 1.40100000E+01 1.20100000E+01 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 3.09700000E+01 1.60000000E+01 1.60000000E+01 1.60000000E+01 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.60000000E+01 1.20100000E+01 1.00800000E+00 1.40100000E+01 1.20100000E+01 1.00800000E+00 1.40100000E+01 1.20100000E+01 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.40100000E+01 1.00800000E+00 1.00800000E+00 1.40100000E+01 1.20100000E+01 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.40100000E+01 1.20100000E+01 1.40100000E+01 1.20100000E+01 1.40100000E+01 1.00800000E+00 1.00800000E+00 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.20100000E+01 1.40100000E+01 1.95080000E+02 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.40100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.40100000E+01 1.20100000E+01 1.00800000E+00 1.40100000E+01 1.20100000E+01 1.40100000E+01 1.20100000E+01 1.40100000E+01 1.00800000E+00 1.00800000E+00 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.20100000E+01 %FLAG ATOM_TYPE_INDEX %FORMAT(10I8) 1 2 3 4 4 3 4 5 3 6 7 8 9 8 10 8 7 11 11 7 8 12 3 4 3 13 13 5 14 12 12 5 3 4 4 3 4 5 3 6 7 8 9 8 10 8 7 11 11 7 8 12 3 4 3 13 13 5 14 12 12 5 3 4 4 3 4 5 3 6 7 8 9 8 3 13 13 13 8 12 7 11 8 12 3 4 3 13 13 5 14 12 12 5 3 4 4 3 4 5 3 6 7 8 9 8 10 8 7 11 11 7 8 12 3 4 3 13 13 5 14 12 12 5 3 4 4 3 4 5 3 6 7 8 15 7 8 8 7 11 11 7 8 15 7 8 3 4 3 13 13 5 14 12 12 5 3 4 4 3 4 5 3 6 3 4 3 13 13 5 14 12 12 5 3 4 4 3 4 5 3 6 3 4 3 13 13 5 14 12 12 5 3 4 4 3 4 5 3 6 7 8 9 8 10 8 7 11 11 7 8 12 3 4 3 13 13 5 14 12 12 5 3 4 4 3 4 5 3 6 7 8 9 8 10 8 7 11 11 7 8 12 3 4 3 13 13 5 14 12 12 5 3 4 4 3 4 5 3 6 7 8 9 8 3 13 13 13 8 12 7 11 8 12 3 4 3 13 13 5 14 12 12 5 3 4 4 3 4 5 3 6 7 8 9 8 10 8 7 11 11 7 8 12 3 4 3 13 13 5 14 12 12 5 3 4 4 3 4 5 3 6 7 8 9 8 10 8 7 11 11 7 8 12 3 4 3 13 13 2 1 1 2 3 4 4 3 4 5 3 6 7 8 15 7 8 8 12 7 11 8 7 11 11 7 8 3 4 3 13 13 5 14 12 12 5 3 4 4 3 4 5 3 6 7 8 15 7 8 8 12 7 11 8 7 11 11 7 8 3 4 3 13 13 5 14 12 12 5 3 4 4 3 4 5 3 6 7 8 15 7 8 8 7 11 11 7 8 15 7 8 3 4 3 13 13 5 14 12 12 5 3 4 4 3 4 5 3 6 7 8 15 7 8 8 12 7 11 8 7 11 11 7 8 3 4 3 13 13 5 14 12 12 5 3 4 4 3 4 5 3 6 7 8 15 7 8 8 12 7 11 8 7 11 11 7 8 3 4 3 13 13 5 14 12 12 5 3 4 4 3 4 5 3 6 7 8 9 8 10 8 7 11 11 7 8 12 3 4 3 13 13 5 14 12 12 5 3 4 4 3 4 5 3 6 7 8 9 8 10 8 7 11 11 7 8 12 3 4 3 13 13 5 14 12 12 5 3 4 4 3 4 5 3 6 7 8 9 8 3 13 13 13 8 12 7 11 8 12 3 4 3 13 13 5 14 12 12 5 3 4 4 3 4 5 3 6 7 8 15 7 8 8 12 7 11 8 7 11 11 7 8 3 4 3 13 13 5 14 12 12 5 3 4 4 3 4 5 3 6 7 8 15 7 8 8 7 11 11 7 8 15 7 8 3 4 3 13 13 5 14 12 12 5 3 4 4 3 4 5 3 6 7 8 15 7 8 8 12 7 11 8 7 11 11 7 8 3 4 3 13 13 5 14 12 12 5 3 4 4 3 4 5 3 6 7 8 15 7 8 8 12 7 11 8 7 11 11 7 8 3 4 3 13 13 2 1 8 15 7 8 7 8 7 11 11 7 11 8 12 8 16 17 7 11 3 3 13 13 3 13 13 3 7 11 11 18 3 3 13 13 13 13 18 11 16 8 15 7 8 7 8 7 11 11 7 11 8 12 8 %FLAG NUMBER_EXCLUDED_ATOMS %FORMAT(10I8) 5 7 10 5 4 12 6 11 14 7 12 9 4 7 3 6 4 2 1 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 9 4 7 3 6 4 2 1 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 13 12 4 9 6 3 2 1 5 3 3 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 9 4 7 3 6 4 2 1 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 8 8 5 2 1 4 3 2 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 10 5 7 3 2 5 7 3 2 7 10 5 4 12 6 11 14 7 10 5 7 3 2 5 7 3 2 7 10 5 4 12 6 11 14 7 12 9 4 7 3 6 4 2 1 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 9 4 7 3 6 4 2 1 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 13 12 4 9 6 3 2 1 5 3 3 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 9 4 7 3 6 4 2 1 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 9 4 7 3 6 4 2 1 2 2 1 6 5 4 2 1 1 1 5 7 10 5 4 12 6 11 14 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 8 8 5 2 1 4 3 2 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 9 4 7 3 6 4 2 1 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 9 4 7 3 6 4 2 1 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 13 12 4 9 6 3 2 1 5 3 3 2 2 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 8 8 5 2 1 4 3 2 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 9 5 4 2 1 5 7 3 2 7 10 5 4 12 6 11 14 7 12 7 3 6 7 7 4 7 3 5 4 2 1 1 1 6 5 4 2 1 1 1 11 5 7 9 9 8 5 2 1 5 3 4 2 5 12 21 19 7 17 14 7 6 12 5 4 11 11 4 3 4 6 6 4 3 1 1 1 1 9 6 3 5 7 8 8 5 2 1 4 3 2 1 1 %FLAG NONBONDED_PARM_INDEX %FORMAT(10I8) 1 2 4 7 11 16 22 29 37 46 56 67 79 92 106 121 137 154 2 3 5 8 12 17 23 30 38 47 57 68 80 93 107 122 138 155 4 5 6 9 13 18 24 31 39 48 58 69 81 94 108 123 139 156 7 8 9 10 14 19 25 32 40 49 59 70 82 95 109 124 140 157 11 12 13 14 15 20 26 33 41 50 60 71 83 96 110 125 141 158 16 17 18 19 20 21 27 34 42 51 61 72 84 97 111 126 142 159 22 23 24 25 26 27 28 35 43 52 62 73 85 98 112 127 143 160 29 30 31 32 33 34 35 36 44 53 63 74 86 99 113 128 144 161 37 38 39 40 41 42 43 44 45 54 64 75 87 100 114 129 145 162 46 47 48 49 50 51 52 53 54 55 65 76 88 101 115 130 146 163 56 57 58 59 60 61 62 63 64 65 66 77 89 102 116 131 147 164 67 68 69 70 71 72 73 74 75 76 77 78 90 103 117 132 148 165 79 80 81 82 83 84 85 86 87 88 89 90 91 104 118 133 149 166 92 93 94 95 96 97 98 99 100 101 102 103 104 105 119 134 150 167 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 135 151 168 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 152 169 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 170 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 %FLAG RESIDUE_LABEL %FORMAT(20a4) DC5 DC DT DC DA DG DG DC DC DT DC DC3 DG5 DG DA DG DG DC DC DT DG DA DG DG3 PGG %FLAG RESIDUE_POINTER %FORMAT(10I8) 1 29 59 91 121 153 171 189 219 249 281 311 342 373 406 438 471 504 534 564 596 629 661 694 728 %FLAG BOND_FORCE_CONSTANT %FORMAT(5E16.8) 2.30000000E+02 3.40000000E+02 3.40000000E+02 3.10000000E+02 3.20000000E+02 5.70000000E+02 4.57000000E+02 4.34000000E+02 4.81000000E+02 4.83000000E+02 3.67000000E+02 4.27000000E+02 3.67000000E+02 5.49000000E+02 4.48000000E+02 4.24000000E+02 3.40000000E+02 3.37000000E+02 3.40000000E+02 3.10000000E+02 3.20000000E+02 5.53000000E+02 3.20000000E+02 5.25000000E+02 4.34000000E+02 4.18000000E+02 3.17000000E+02 4.10000000E+02 4.61000000E+02 3.67000000E+02 5.02000000E+02 4.69000000E+02 5.20000000E+02 4.14000000E+02 3.67000000E+02 5.29000000E+02 4.40000000E+02 4.36000000E+02 3.20000000E+02 4.27000000E+02 4.47000000E+02 5.29000000E+02 4.14000000E+02 4.34000000E+02 3.67000000E+02 3.40000000E+02 4.34000000E+02 3.67000000E+02 3.66000000E+02 3.66000000E+02 3.66000000E+02 3.66000000E+02 4.14000000E+02 5.29000000E+02 %FLAG BOND_EQUIL_VALUE %FORMAT(5E16.8) 1.61000000E+00 1.09000000E+00 1.09000000E+00 1.52600000E+00 1.41000000E+00 1.22900000E+00 1.35800000E+00 1.01000000E+00 1.34000000E+00 1.33900000E+00 1.08000000E+00 1.43300000E+00 1.08000000E+00 1.35000000E+00 1.36500000E+00 1.38300000E+00 1.09000000E+00 1.47500000E+00 1.09000000E+00 1.52600000E+00 1.41000000E+00 9.60000000E-01 1.41000000E+00 1.48000000E+00 1.01000000E+00 1.38800000E+00 1.51000000E+00 1.44400000E+00 1.35400000E+00 1.08000000E+00 1.32400000E+00 1.40400000E+00 1.37000000E+00 1.39100000E+00 1.08000000E+00 1.30400000E+00 1.37100000E+00 1.37400000E+00 1.41000000E+00 1.38100000E+00 1.41900000E+00 1.30400000E+00 1.39100000E+00 1.01000000E+00 1.47100000E+00 1.09000000E+00 1.01000000E+00 1.47100000E+00 2.03000000E+00 2.01000000E+00 2.03000000E+00 2.01000000E+00 1.39100000E+00 1.30400000E+00 %FLAG ANGLE_FORCE_CONSTANT %FORMAT(5E16.8) 1.00000000E+02 4.50000000E+01 3.50000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 1.00000000E+02 8.00000000E+01 3.50000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 5.00000000E+01 6.30000000E+01 5.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 8.00000000E+01 5.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 4.00000000E+01 5.00000000E+01 5.00000000E+01 6.00000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 5.00000000E+01 4.00000000E+01 5.00000000E+01 5.00000000E+01 5.50000000E+01 5.00000000E+01 5.00000000E+01 1.40000000E+02 1.00000000E+02 5.00000000E+01 8.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 8.00000000E+01 7.00000000E+01 7.00000000E+01 6.30000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 6.30000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 5.50000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 6.30000000E+01 7.00000000E+01 8.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 8.00000000E+01 4.20000000E+01 5.00000000E+01 5.00000000E+01 3.50000000E+01 4.20000000E+01 4.20000000E+01 8.00000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 2.00000000E+01 2.00000000E+01 5.00000000E+01 3.50000000E+01 4.20000000E+01 4.20000000E+01 4.20000000E+01 2.00000000E+01 7.00000000E+01 7.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 2.00000000E+01 %FLAG ANGLE_EQUIL_VALUE %FORMAT(5E16.8) 1.88897066E+00 1.79070858E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 2.10312265E+00 2.13802925E+00 2.09439600E+00 2.08217869E+00 2.09439600E+00 2.10312265E+00 2.15199189E+00 2.09614133E+00 2.12057595E+00 2.08916001E+00 2.12232128E+00 2.08916001E+00 2.04203610E+00 1.91113635E+00 2.07868803E+00 2.11533996E+00 2.06996138E+00 2.11010397E+00 1.91113635E+00 1.91113635E+00 2.11533996E+00 2.05250808E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.89368305E+00 1.91113635E+00 1.91113635E+00 2.09265067E+00 2.10312265E+00 2.03854544E+00 2.10486798E+00 2.20609712E+00 2.08916001E+00 1.91113635E+00 2.18689849E+00 1.99142153E+00 2.08916001E+00 2.10661331E+00 2.01411082E+00 2.01498349E+00 1.93731630E+00 2.25322103E+00 2.04727209E+00 2.06996138E+00 2.15548255E+00 2.04727209E+00 2.22878641E+00 2.31081692E+00 1.92684432E+00 2.14762857E+00 1.83957782E+00 1.81165254E+00 2.14762857E+00 1.98793087E+00 1.85354046E+00 2.20260646E+00 2.24798504E+00 2.19562514E+00 1.91113635E+00 1.91113635E+00 1.89368305E+00 1.95826026E+00 2.05948940E+00 2.02458280E+00 2.15199189E+00 2.08043336E+00 2.18515316E+00 2.24798504E+00 1.94255229E+00 2.26892900E+00 1.81165254E+00 2.14762857E+00 1.98793087E+00 2.26892900E+00 1.92684432E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.94080696E+00 3.14159400E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.57079700E+00 1.57079700E+00 1.94080696E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 2.23314974E+00 2.23314974E+00 1.91113635E+00 1.91113635E+00 3.14159400E+00 1.57079700E+00 1.57079700E+00 2.23314974E+00 2.26892900E+00 1.92684432E+00 1.98793087E+00 2.14762857E+00 1.81165254E+00 2.23314974E+00 %FLAG DIHEDRAL_FORCE_CONSTANT %FORMAT(5E16.8) 1.85181000E-01 1.25653100E+00 3.54858000E-01 2.50000000E-01 0.00000000E+00 3.83333333E-01 1.55555556E-01 2.50000000E-01 1.20000000E+00 0.00000000E+00 2.40000000E+00 4.80000000E+00 4.00000000E+00 2.55000000E+00 1.85000000E+00 6.65000000E+00 1.45000000E+00 1.00000000E-01 3.83000000E-01 1.17500000E+00 1.44000000E-01 2.50000000E+00 6.50000000E-01 2.00000000E-01 2.50000000E-01 1.80000000E-01 1.60000000E-01 1.17804000E+00 9.21020000E-02 9.62830000E-01 1.66666667E-01 1.35000000E+00 2.17500000E+00 1.15000000E+00 3.80000000E-01 3.00000000E-01 6.80000000E+00 3.50000000E+00 5.45000000E+00 4.15000000E+00 1.70000000E+00 1.00000000E+01 1.65000000E+00 1.50000000E+00 3.00000000E+00 7.00000000E-01 1.50000000E-01 2.50000000E-01 0.00000000E+00 2.50000000E+00 1.05000000E+01 1.00000000E+00 1.10000000E+00 %FLAG DIHEDRAL_PERIODICITY %FORMAT(5E16.8) 1.00000000E+00 2.00000000E+00 3.00000000E+00 1.00000000E+00 3.00000000E+00 3.00000000E+00 3.00000000E+00 3.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 3.00000000E+00 2.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 3.00000000E+00 2.00000000E+00 2.00000000E+00 1.00000000E+00 3.00000000E+00 3.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 3.00000000E+00 3.00000000E+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) 5.54929070E-01 6.14285649E+00 6.23514744E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 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 3.33317067E+00 5.15976777E+00 6.07541257E+00 0.00000000E+00 3.14159400E+00 3.14159400E+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 0.00000000E+00 0.00000000E+00 1.57079700E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 %FLAG SCEE_SCALE_FACTOR %FORMAT(5E16.8) 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 %FLAG SCNB_SCALE_FACTOR %FORMAT(5E16.8) 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 %FLAG SOLTY %FORMAT(5E16.8) 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 %FLAG LENNARD_JONES_ACOEF %FORMAT(5E16.8) 0.00000000E+00 0.00000000E+00 5.81803229E+05 0.00000000E+00 7.91544157E+05 1.04308023E+06 0.00000000E+00 4.66922514E+04 6.78771368E+04 3.25969625E+03 0.00000000E+00 4.58874091E+05 6.28541240E+05 3.63097246E+04 3.61397723E+05 0.00000000E+00 3.15360051E+04 4.68930885E+04 2.09814978E+03 2.44050579E+04 1.32801250E+03 0.00000000E+00 7.44975864E+05 9.95480466E+05 6.20665997E+04 5.89818288E+05 4.24594555E+04 9.44293233E+05 0.00000000E+00 7.01803794E+05 9.24822270E+05 6.01816484E+04 5.57281136E+05 4.15766412E+04 8.82619071E+05 8.19971662E+05 0.00000000E+00 4.96707306E+04 7.18621074E+04 3.50301067E+03 3.86654993E+04 2.26273716E+03 6.58473870E+04 6.37148278E+04 3.76169105E+03 0.00000000E+00 6.00750218E+04 8.59947003E+04 4.33325458E+03 4.68711055E+04 2.82099197E+03 7.91627154E+04 7.62451550E+04 4.64559155E+03 5.71629601E+03 0.00000000E+00 1.40467023E+03 2.56678134E+03 5.94667300E+01 1.03954408E+03 3.20009193E+01 2.12601181E+03 2.27577561E+03 6.63368273E+01 8.90987508E+01 1.39982777E-01 0.00000000E+00 4.71003287E+05 6.47841731E+05 3.69471530E+04 3.70622491E+05 2.47595516E+04 6.06829342E+05 5.74393458E+05 3.93690817E+04 4.77908183E+04 1.02595236E+03 3.79876399E+05 0.00000000E+00 6.82786631E+04 9.71708117E+04 4.98586848E+03 5.33379252E+04 3.25969625E+03 8.96776989E+04 8.61541883E+04 5.34045360E+03 6.55825601E+03 1.07193646E+02 5.44261042E+04 7.51607703E+03 0.00000000E+00 1.98683736E+06 2.54188684E+06 1.81087383E+05 1.58759528E+06 1.27716552E+05 2.45746558E+06 2.25370349E+06 1.90880272E+05 2.26202022E+05 8.41065839E+03 1.64263766E+06 2.54238516E+05 6.02589390E+06 0.00000000E+00 4.09427581E+04 5.98885646E+04 2.82099197E+03 3.17965283E+04 1.80748014E+03 5.46147253E+04 5.30987710E+04 3.03448006E+03 3.76169105E+03 4.90239937E+01 3.23283631E+04 4.33325458E+03 1.60682053E+05 2.43828624E+03 0.00000000E+00 5.61097357E+05 7.59439297E+05 4.55180912E+04 4.43029488E+05 3.08565467E+04 7.16372705E+05 6.73338784E+05 4.83839289E+04 5.84174003E+04 1.42175304E+03 4.55046559E+05 6.63318653E+04 1.89715906E+06 3.99534499E+04 5.40675281E+05 0.00000000E+00 3.57506492E+05 4.86475525E+05 2.86807074E+04 2.81958213E+05 1.93684986E+04 4.57819211E+05 4.31321950E+05 3.05110660E+04 3.69042988E+04 8.61689177E+02 2.89404290E+05 4.19452067E+04 1.22129435E+06 2.51481991E+04 3.44793192E+05 2.19680394E+05 0.00000000E+00 1.45985502E+04 2.27401052E+04 8.79040886E+02 1.11851919E+04 5.37190941E+02 2.01791425E+04 2.01619733E+04 9.55000044E+02 1.21014911E+03 9.14716912E+00 1.12780457E+04 1.41077189E+03 6.46047669E+04 7.50063100E+02 1.43928944E+04 8.96363409E+03 2.01823541E+02 %FLAG LENNARD_JONES_BCOEF %FORMAT(5E16.8) 0.00000000E+00 0.00000000E+00 6.99746810E+02 0.00000000E+00 6.93079947E+02 6.75612247E+02 0.00000000E+00 1.03606917E+02 1.06076943E+02 1.43076527E+01 0.00000000E+00 5.89183300E+02 5.85549272E+02 8.66220817E+01 4.95732238E+02 0.00000000E+00 8.51470647E+01 8.81685417E+01 1.14788417E+01 7.10161395E+01 9.13231543E+00 0.00000000E+00 7.50714425E+02 7.36907417E+02 1.13252061E+02 6.33305958E+02 9.36708259E+01 8.01323529E+02 0.00000000E+00 6.14502845E+02 5.99015525E+02 9.40505980E+01 5.19163331E+02 7.81725398E+01 6.53361429E+02 5.31102864E+02 0.00000000E+00 1.05648788E+02 1.07908863E+02 1.46638650E+01 8.83744760E+01 1.17854122E+01 1.15327881E+02 9.56748258E+01 1.50233639E+01 0.00000000E+00 1.16187983E+02 1.18043746E+02 1.63092814E+01 9.73010751E+01 1.31591746E+01 1.26451907E+02 1.04660679E+02 1.66953734E+01 1.85196588E+01 0.00000000E+00 1.79702257E+01 2.06278363E+01 1.93248820E+00 1.46567808E+01 1.41762397E+00 2.09604198E+01 1.82891803E+01 2.01792524E+00 2.33864085E+00 9.37598976E-02 0.00000000E+00 6.29300710E+02 6.26720080E+02 9.21192136E+01 5.29252520E+02 7.54103785E+01 6.77220874E+02 5.55666448E+02 9.40124296E+01 1.03580945E+02 1.53505284E+01 5.64885984E+02 0.00000000E+00 1.25287818E+02 1.26919150E+02 1.76949863E+01 1.04986921E+02 1.43076527E+01 1.36131731E+02 1.12529845E+02 1.81057616E+01 2.00642027E+01 2.59456373E+00 1.11805549E+02 2.17257828E+01 0.00000000E+00 1.27682121E+03 1.22636552E+03 2.01468199E+02 1.08210555E+03 1.69194406E+02 1.34630496E+03 1.08732781E+03 2.04498832E+02 2.22617115E+02 4.34187588E+01 1.16041466E+03 2.38716853E+02 2.19561270E+03 0.00000000E+00 9.59185913E+01 9.85097219E+01 1.31591746E+01 8.01410250E+01 1.05333009E+01 1.05031585E+02 8.73413012E+01 1.34932874E+01 1.50233639E+01 1.73473071E+00 8.51921330E+01 1.63092814E+01 1.87626421E+02 1.20953369E+01 0.00000000E+00 6.41712556E+02 6.33958537E+02 9.55271730E+01 5.40615556E+02 7.86517816E+01 6.87450982E+02 5.62084254E+02 9.73718389E+01 1.06992644E+02 1.68828976E+01 5.77620679E+02 1.15317710E+02 1.16511652E+03 8.84830224E+01 5.88245000E+02 0.00000000E+00 4.30730765E+02 4.26665297E+02 6.37635275E+01 3.62666213E+02 5.23992878E+01 4.62127411E+02 3.78292634E+02 6.50210529E+01 7.15095074E+01 1.10523015E+01 3.87355564E+02 7.71113977E+01 7.86086186E+02 5.90308113E+01 3.95013401E+02 2.65137183E+02 0.00000000E+00 5.79323581E+01 6.13981767E+01 7.42992380E+00 4.80771660E+01 5.80823477E+00 6.45756063E+01 5.44372326E+01 7.65648470E+00 8.61880722E+00 7.57919667E-01 5.08951803E+01 9.41257003E+00 1.20335756E+02 6.78541827E+00 5.37166565E+01 3.56467110E+01 3.56012899E+00 %FLAG BONDS_INC_HYDROGEN %FORMAT(10I8) 72 75 2 72 78 2 66 69 3 48 51 8 48 54 8 39 42 11 33 36 13 24 27 17 15 18 3 6 9 19 6 12 19 0 3 22 162 165 2 162 168 2 156 159 3 138 141 8 138 144 8 129 132 11 123 126 13 114 117 17 105 108 3 96 99 19 96 102 19 258 261 2 258 264 2 252 255 3 240 243 25 222 225 2 222 228 2 222 231 2 213 216 13 204 207 17 195 198 3 186 189 19 186 192 19 348 351 2 348 354 2 342 345 3 324 327 8 324 330 8 315 318 11 309 312 13 300 303 17 291 294 3 282 285 19 282 288 19 444 447 2 444 450 2 438 441 3 426 429 30 414 417 8 414 420 8 399 402 35 390 393 17 381 384 3 372 375 19 372 378 19 498 501 2 498 504 2 492 495 3 486 489 17 477 480 3 468 471 19 468 474 19 552 555 2 552 558 2 546 549 3 540 543 17 531 534 3 522 525 19 522 528 19 642 645 2 642 648 2 636 639 3 618 621 8 618 624 8 609 612 11 603 606 13 594 597 17 585 588 3 576 579 19 576 582 19 732 735 2 732 738 2 726 729 3 708 711 8 708 714 8 699 702 11 693 696 13 684 687 17 675 678 3 666 669 19 666 672 19 828 831 2 828 834 2 822 825 3 810 813 25 792 795 2 792 798 2 792 801 2 783 786 13 774 777 17 765 768 3 756 759 19 756 762 19 918 921 2 918 924 2 912 915 3 894 897 8 894 900 8 885 888 11 879 882 13 870 873 17 861 864 3 852 855 19 852 858 19 1017 1020 22 1008 1011 2 1008 1014 2 1002 1005 3 984 987 8 984 990 8 975 978 11 969 972 13 960 963 17 951 954 3 942 945 19 942 948 19 1104 1107 2 1104 1110 2 1098 1101 3 1083 1086 8 1083 1089 8 1074 1077 25 1056 1059 35 1047 1050 17 1038 1041 3 1029 1032 19 1029 1035 19 1023 1026 22 1203 1206 2 1203 1209 2 1197 1200 3 1182 1185 8 1182 1188 8 1173 1176 25 1155 1158 35 1146 1149 17 1137 1140 3 1128 1131 19 1128 1134 19 1299 1302 2 1299 1305 2 1293 1296 3 1281 1284 30 1269 1272 8 1269 1275 8 1254 1257 35 1245 1248 17 1236 1239 3 1227 1230 19 1227 1233 19 1398 1401 2 1398 1404 2 1392 1395 3 1377 1380 8 1377 1383 8 1368 1371 25 1350 1353 35 1341 1344 17 1332 1335 3 1323 1326 19 1323 1329 19 1497 1500 2 1497 1503 2 1491 1494 3 1476 1479 8 1476 1482 8 1467 1470 25 1449 1452 35 1440 1443 17 1431 1434 3 1422 1425 19 1422 1428 19 1587 1590 2 1587 1593 2 1581 1584 3 1563 1566 8 1563 1569 8 1554 1557 11 1548 1551 13 1539 1542 17 1530 1533 3 1521 1524 19 1521 1527 19 1677 1680 2 1677 1683 2 1671 1674 3 1653 1656 8 1653 1659 8 1644 1647 11 1638 1641 13 1629 1632 17 1620 1623 3 1611 1614 19 1611 1617 19 1773 1776 2 1773 1779 2 1767 1770 3 1755 1758 25 1737 1740 2 1737 1743 2 1737 1746 2 1728 1731 13 1719 1722 17 1710 1713 3 1701 1704 19 1701 1707 19 1872 1875 2 1872 1878 2 1866 1869 3 1851 1854 8 1851 1857 8 1842 1845 25 1824 1827 35 1815 1818 17 1806 1809 3 1797 1800 19 1797 1803 19 1968 1971 2 1968 1974 2 1962 1965 3 1950 1953 30 1938 1941 8 1938 1944 8 1923 1926 35 1914 1917 17 1905 1908 3 1896 1899 19 1896 1902 19 2067 2070 2 2067 2073 2 2061 2064 3 2046 2049 8 2046 2052 8 2037 2040 25 2019 2022 35 2010 2013 17 2001 2004 3 1992 1995 19 1992 1998 19 2175 2178 22 2166 2169 2 2166 2172 2 2160 2163 3 2145 2148 8 2145 2151 8 2136 2139 25 2118 2121 35 2109 2112 17 2100 2103 3 2091 2094 19 2091 2097 19 2325 2328 25 2316 2319 8 2316 2322 8 2298 2301 35 2274 2277 2 2274 2280 2 2271 2283 2 2271 2286 2 2259 2262 44 2259 2265 44 2256 2268 46 2247 2250 2 2247 2253 2 2238 2241 2 2238 2244 2 2235 2289 46 2229 2232 47 2229 2292 47 2208 2211 25 2199 2202 8 2199 2205 8 2181 2184 35 %FLAG BONDS_WITHOUT_HYDROGEN %FORMAT(10I8) 81 84 1 66 72 4 66 81 5 60 63 6 57 60 7 45 48 9 45 57 10 39 45 12 33 39 14 30 33 15 30 60 16 24 30 18 24 72 4 21 24 5 15 21 5 15 66 4 6 15 20 3 6 21 171 174 1 156 162 4 156 171 5 150 153 6 147 150 7 135 138 9 135 147 10 129 135 12 123 129 14 120 123 15 120 150 16 114 120 18 114 162 4 111 114 5 105 111 5 105 156 4 96 105 20 93 96 23 84 87 24 84 90 24 84 93 1 267 270 1 252 258 4 252 267 5 246 249 6 240 246 26 234 237 6 234 240 26 219 222 27 219 234 28 213 219 14 210 213 15 210 246 16 204 210 18 204 258 4 201 204 5 195 201 5 195 252 4 186 195 20 183 186 23 174 177 24 174 180 24 174 183 1 357 360 1 342 348 4 342 357 5 336 339 6 333 336 7 321 324 9 321 333 10 315 321 12 309 315 14 306 309 15 306 336 16 300 306 18 300 348 4 297 300 5 291 297 5 291 342 4 282 291 20 279 282 23 270 273 24 270 276 24 270 279 1 453 456 1 438 444 4 438 453 5 432 435 29 426 432 31 423 426 31 411 414 9 411 423 10 408 411 32 408 435 33 405 408 34 399 405 36 396 399 37 396 435 38 390 396 18 390 444 4 387 390 5 381 387 5 381 438 4 372 381 20 369 372 23 360 363 24 360 366 24 360 369 1 507 510 1 492 498 4 492 507 5 486 498 4 486 2187 18 483 486 5 477 483 5 477 492 4 468 477 20 465 468 23 456 459 24 456 462 24 456 465 1 561 564 1 546 552 4 546 561 5 540 552 4 540 2304 18 537 540 5 531 537 5 531 546 4 522 531 20 519 522 23 510 513 24 510 516 24 510 519 1 651 654 1 636 642 4 636 651 5 630 633 6 627 630 7 615 618 9 615 627 10 609 615 12 603 609 14 600 603 15 600 630 16 594 600 18 594 642 4 591 594 5 585 591 5 585 636 4 576 585 20 573 576 23 564 567 24 564 570 24 564 573 1 741 744 1 726 732 4 726 741 5 720 723 6 717 720 7 705 708 9 705 717 10 699 705 12 693 699 14 690 693 15 690 720 16 684 690 18 684 732 4 681 684 5 675 681 5 675 726 4 666 675 20 663 666 23 654 657 24 654 660 24 654 663 1 837 840 1 822 828 4 822 837 5 816 819 6 810 816 26 804 807 6 804 810 26 789 792 27 789 804 28 783 789 14 780 783 15 780 816 16 774 780 18 774 828 4 771 774 5 765 771 5 765 822 4 756 765 20 753 756 23 744 747 24 744 750 24 744 753 1 927 930 1 912 918 4 912 927 5 906 909 6 903 906 7 891 894 9 891 903 10 885 891 12 879 885 14 876 879 15 876 906 16 870 876 18 870 918 4 867 870 5 861 867 5 861 912 4 852 861 20 849 852 23 840 843 24 840 846 24 840 849 1 1002 1008 4 1002 1017 39 996 999 6 993 996 7 981 984 9 981 993 10 975 981 12 969 975 14 966 969 15 966 996 16 960 966 18 960 1008 4 957 960 5 951 957 5 951 1002 4 942 951 20 939 942 23 930 933 24 930 936 24 930 939 1 1113 1116 1 1098 1104 4 1098 1113 5 1092 1095 29 1080 1083 9 1080 1092 10 1074 1080 40 1068 1071 6 1068 1074 26 1065 1068 41 1065 1095 33 1062 1065 34 1056 1062 36 1053 1056 37 1053 1095 38 1047 1053 18 1047 1104 4 1044 1047 5 1038 1044 5 1038 1098 4 1029 1038 20 1026 1029 21 1212 1215 1 1197 1203 4 1197 1212 5 1191 1194 29 1179 1182 9 1179 1191 10 1173 1179 40 1167 1170 6 1167 1173 26 1164 1167 41 1164 1194 33 1161 1164 34 1155 1161 36 1152 1155 37 1152 1194 38 1146 1152 18 1146 1203 4 1143 1146 5 1137 1143 5 1137 1197 4 1128 1137 20 1125 1128 23 1116 1119 24 1116 1122 24 1116 1125 1 1308 1311 1 1293 1299 4 1293 1308 5 1287 1290 29 1281 1287 31 1278 1281 31 1266 1269 9 1266 1278 10 1263 1266 32 1263 1290 33 1260 1263 34 1254 1260 36 1251 1254 37 1251 1290 38 1245 1251 18 1245 1299 4 1242 1245 5 1236 1242 5 1236 1293 4 1227 1236 20 1224 1227 23 1215 1218 24 1215 1221 24 1215 1224 1 1407 1410 1 1392 1398 4 1392 1407 5 1386 1389 29 1374 1377 9 1374 1386 10 1368 1374 40 1362 1365 6 1362 1368 26 1359 1362 41 1359 1389 33 1356 1359 34 1350 1356 36 1347 1350 37 1347 1389 38 1341 1347 18 1341 1398 4 1338 1341 5 1332 1338 5 1332 1392 4 1323 1332 20 1320 1323 23 1311 1314 24 1311 1317 24 1311 1320 1 1506 1509 1 1491 1497 4 1491 1506 5 1485 1488 29 1473 1476 9 1473 1485 10 1467 1473 40 1461 1464 6 1461 1467 26 1458 1461 41 1458 1488 33 1455 1458 34 1449 1455 36 1446 1449 37 1446 1488 38 1440 1446 18 1440 1497 4 1437 1440 5 1431 1437 5 1431 1491 4 1422 1431 20 1419 1422 23 1410 1413 24 1410 1416 24 1410 1419 1 1596 1599 1 1581 1587 4 1581 1596 5 1575 1578 6 1572 1575 7 1560 1563 9 1560 1572 10 1554 1560 12 1548 1554 14 1545 1548 15 1545 1575 16 1539 1545 18 1539 1587 4 1536 1539 5 1530 1536 5 1530 1581 4 1521 1530 20 1518 1521 23 1509 1512 24 1509 1515 24 1509 1518 1 1686 1689 1 1671 1677 4 1671 1686 5 1665 1668 6 1662 1665 7 1650 1653 9 1650 1662 10 1644 1650 12 1638 1644 14 1635 1638 15 1635 1665 16 1629 1635 18 1629 1677 4 1626 1629 5 1620 1626 5 1620 1671 4 1611 1620 20 1608 1611 23 1599 1602 24 1599 1605 24 1599 1608 1 1782 1785 1 1767 1773 4 1767 1782 5 1761 1764 6 1755 1761 26 1749 1752 6 1749 1755 26 1734 1737 27 1734 1749 28 1728 1734 14 1725 1728 15 1725 1761 16 1719 1725 18 1719 1773 4 1716 1719 5 1710 1716 5 1710 1767 4 1701 1710 20 1698 1701 23 1689 1692 24 1689 1695 24 1689 1698 1 1881 1884 1 1866 1872 4 1866 1881 5 1860 1863 29 1848 1851 9 1848 1860 10 1842 1848 40 1836 1839 6 1836 1842 26 1833 1836 41 1833 1863 33 1830 1833 34 1824 1830 36 1821 1824 37 1821 1863 38 1815 1821 18 1815 1872 4 1812 1815 5 1806 1812 5 1806 1866 4 1797 1806 20 1794 1797 23 1785 1788 24 1785 1791 24 1785 1794 1 1977 1980 1 1962 1968 4 1962 1977 5 1956 1959 29 1950 1956 31 1947 1950 31 1935 1938 9 1935 1947 10 1932 1935 32 1932 1959 33 1929 1932 34 1923 1929 36 1920 1923 37 1920 1959 38 1914 1920 18 1914 1968 4 1911 1914 5 1905 1911 5 1905 1962 4 1896 1905 20 1893 1896 23 1884 1887 24 1884 1890 24 1884 1893 1 2076 2079 1 2061 2067 4 2061 2076 5 2055 2058 29 2043 2046 9 2043 2055 10 2037 2043 40 2031 2034 6 2031 2037 26 2028 2031 41 2028 2058 33 2025 2028 34 2019 2025 36 2016 2019 37 2016 2058 38 2010 2016 18 2010 2067 4 2007 2010 5 2001 2007 5 2001 2061 4 1992 2001 20 1989 1992 23 1980 1983 24 1980 1986 24 1980 1989 1 2160 2166 4 2160 2175 39 2154 2157 29 2142 2145 9 2142 2154 10 2136 2142 40 2130 2133 6 2130 2136 26 2127 2130 41 2127 2157 33 2124 2127 34 2118 2124 36 2115 2118 37 2115 2157 38 2109 2115 18 2109 2166 4 2106 2109 5 2100 2106 5 2100 2160 4 2091 2100 20 2088 2091 23 2079 2082 24 2079 2085 24 2079 2088 1 2331 2334 6 2331 2337 41 2325 2331 26 2313 2316 9 2313 2325 40 2310 2313 10 2307 2310 29 2307 2337 33 2304 2307 38 2298 2304 37 2295 2298 42 2295 2337 43 2271 2274 4 2256 2259 45 2256 2271 4 2247 2256 4 2238 2247 4 2235 2238 4 2235 2274 4 2229 2235 48 2226 2229 49 2226 2295 50 2226 2259 51 2223 2226 52 2220 2223 53 2214 2217 6 2214 2220 41 2208 2214 26 2196 2199 9 2196 2208 40 2193 2196 10 2190 2193 29 2190 2220 33 2187 2190 38 2181 2187 37 2181 2223 54 %FLAG ANGLES_INC_HYDROGEN %FORMAT(10I8) 75 72 78 3 69 66 72 5 69 66 81 6 66 72 75 7 66 72 78 7 51 48 54 10 45 48 51 12 45 48 54 12 42 39 45 14 36 33 39 17 33 39 42 19 30 33 36 22 27 24 30 26 27 24 72 27 24 72 75 7 24 72 78 7 21 24 27 31 18 15 21 6 18 15 66 5 15 66 69 5 12 6 15 34 9 6 12 35 9 6 15 34 6 15 18 36 3 6 9 39 3 6 12 39 0 3 6 41 165 162 168 3 159 156 162 5 159 156 171 6 156 162 165 7 156 162 168 7 141 138 144 10 135 138 141 12 135 138 144 12 132 129 135 14 126 123 129 17 123 129 132 19 120 123 126 22 117 114 120 26 117 114 162 27 114 162 165 7 114 162 168 7 111 114 117 31 108 105 111 6 108 105 156 5 105 156 159 5 102 96 105 34 99 96 102 35 99 96 105 34 96 105 108 36 93 96 99 42 93 96 102 42 261 258 264 3 255 252 258 5 255 252 267 6 252 258 261 7 252 258 264 7 243 240 246 46 234 240 243 46 228 222 231 3 225 222 228 3 225 222 231 3 219 222 225 50 219 222 228 50 219 222 231 50 216 213 219 17 210 213 216 22 207 204 210 26 207 204 258 27 204 258 261 7 204 258 264 7 201 204 207 31 198 195 201 6 198 195 252 5 195 252 255 5 192 186 195 34 189 186 192 35 189 186 195 34 186 195 198 36 183 186 189 42 183 186 192 42 351 348 354 3 345 342 348 5 345 342 357 6 342 348 351 7 342 348 354 7 327 324 330 10 321 324 327 12 321 324 330 12 318 315 321 14 312 309 315 17 309 315 318 19 306 309 312 22 303 300 306 26 303 300 348 27 300 348 351 7 300 348 354 7 297 300 303 31 294 291 297 6 294 291 342 5 291 342 345 5 288 282 291 34 285 282 288 35 285 282 291 34 282 291 294 36 279 282 285 42 279 282 288 42 447 444 450 3 441 438 444 5 441 438 453 6 438 444 447 7 438 444 450 7 429 426 432 56 423 426 429 56 417 414 420 10 411 414 417 12 411 414 420 12 402 399 405 66 396 399 402 69 393 390 396 26 393 390 444 27 390 444 447 7 390 444 450 7 387 390 393 31 384 381 387 6 384 381 438 5 381 438 441 5 378 372 381 34 375 372 378 35 375 372 381 34 372 381 384 36 369 372 375 42 369 372 378 42 501 498 504 3 495 492 498 5 495 492 507 6 492 498 501 7 492 498 504 7 489 486 498 27 489 486 2187 26 486 498 501 7 486 498 504 7 483 486 489 31 480 477 483 6 480 477 492 5 477 492 495 5 474 468 477 34 471 468 474 35 471 468 477 34 468 477 480 36 465 468 471 42 465 468 474 42 555 552 558 3 549 546 552 5 549 546 561 6 546 552 555 7 546 552 558 7 543 540 552 27 543 540 2304 26 540 552 555 7 540 552 558 7 537 540 543 31 534 531 537 6 534 531 546 5 531 546 549 5 528 522 531 34 525 522 528 35 525 522 531 34 522 531 534 36 519 522 525 42 519 522 528 42 645 642 648 3 639 636 642 5 639 636 651 6 636 642 645 7 636 642 648 7 621 618 624 10 615 618 621 12 615 618 624 12 612 609 615 14 606 603 609 17 603 609 612 19 600 603 606 22 597 594 600 26 597 594 642 27 594 642 645 7 594 642 648 7 591 594 597 31 588 585 591 6 588 585 636 5 585 636 639 5 582 576 585 34 579 576 582 35 579 576 585 34 576 585 588 36 573 576 579 42 573 576 582 42 735 732 738 3 729 726 732 5 729 726 741 6 726 732 735 7 726 732 738 7 711 708 714 10 705 708 711 12 705 708 714 12 702 699 705 14 696 693 699 17 693 699 702 19 690 693 696 22 687 684 690 26 687 684 732 27 684 732 735 7 684 732 738 7 681 684 687 31 678 675 681 6 678 675 726 5 675 726 729 5 672 666 675 34 669 666 672 35 669 666 675 34 666 675 678 36 663 666 669 42 663 666 672 42 831 828 834 3 825 822 828 5 825 822 837 6 822 828 831 7 822 828 834 7 813 810 816 46 804 810 813 46 798 792 801 3 795 792 798 3 795 792 801 3 789 792 795 50 789 792 798 50 789 792 801 50 786 783 789 17 780 783 786 22 777 774 780 26 777 774 828 27 774 828 831 7 774 828 834 7 771 774 777 31 768 765 771 6 768 765 822 5 765 822 825 5 762 756 765 34 759 756 762 35 759 756 765 34 756 765 768 36 753 756 759 42 753 756 762 42 921 918 924 3 915 912 918 5 915 912 927 6 912 918 921 7 912 918 924 7 897 894 900 10 891 894 897 12 891 894 900 12 888 885 891 14 882 879 885 17 879 885 888 19 876 879 882 22 873 870 876 26 873 870 918 27 870 918 921 7 870 918 924 7 867 870 873 31 864 861 867 6 864 861 912 5 861 912 915 5 858 852 861 34 855 852 858 35 855 852 861 34 852 861 864 36 849 852 855 42 849 852 858 42 1011 1008 1014 3 1005 1002 1008 5 1005 1002 1017 76 1002 1008 1011 7 1002 1008 1014 7 1002 1017 1020 77 987 984 990 10 981 984 987 12 981 984 990 12 978 975 981 14 972 969 975 17 969 975 978 19 966 969 972 22 963 960 966 26 963 960 1008 27 960 1008 1011 7 960 1008 1014 7 957 960 963 31 954 951 957 6 954 951 1002 5 951 1002 1005 5 948 942 951 34 945 942 948 35 945 942 951 34 942 951 954 36 939 942 945 42 939 942 948 42 1107 1104 1110 3 1101 1098 1104 5 1101 1098 1113 6 1098 1104 1107 7 1098 1104 1110 7 1086 1083 1089 10 1080 1083 1086 12 1080 1083 1089 12 1077 1074 1080 79 1068 1074 1077 46 1059 1056 1062 66 1053 1056 1059 69 1050 1047 1053 26 1050 1047 1104 27 1047 1104 1107 7 1047 1104 1110 7 1044 1047 1050 31 1041 1038 1044 6 1041 1038 1098 5 1038 1098 1101 5 1035 1029 1038 34 1032 1029 1035 35 1032 1029 1038 34 1029 1038 1041 36 1026 1029 1032 39 1026 1029 1035 39 1023 1026 1029 41 1206 1203 1209 3 1200 1197 1203 5 1200 1197 1212 6 1197 1203 1206 7 1197 1203 1209 7 1185 1182 1188 10 1179 1182 1185 12 1179 1182 1188 12 1176 1173 1179 79 1167 1173 1176 46 1158 1155 1161 66 1152 1155 1158 69 1149 1146 1152 26 1149 1146 1203 27 1146 1203 1206 7 1146 1203 1209 7 1143 1146 1149 31 1140 1137 1143 6 1140 1137 1197 5 1137 1197 1200 5 1134 1128 1137 34 1131 1128 1134 35 1131 1128 1137 34 1128 1137 1140 36 1125 1128 1131 42 1125 1128 1134 42 1302 1299 1305 3 1296 1293 1299 5 1296 1293 1308 6 1293 1299 1302 7 1293 1299 1305 7 1284 1281 1287 56 1278 1281 1284 56 1272 1269 1275 10 1266 1269 1272 12 1266 1269 1275 12 1257 1254 1260 66 1251 1254 1257 69 1248 1245 1251 26 1248 1245 1299 27 1245 1299 1302 7 1245 1299 1305 7 1242 1245 1248 31 1239 1236 1242 6 1239 1236 1293 5 1236 1293 1296 5 1233 1227 1236 34 1230 1227 1233 35 1230 1227 1236 34 1227 1236 1239 36 1224 1227 1230 42 1224 1227 1233 42 1401 1398 1404 3 1395 1392 1398 5 1395 1392 1407 6 1392 1398 1401 7 1392 1398 1404 7 1380 1377 1383 10 1374 1377 1380 12 1374 1377 1383 12 1371 1368 1374 79 1362 1368 1371 46 1353 1350 1356 66 1347 1350 1353 69 1344 1341 1347 26 1344 1341 1398 27 1341 1398 1401 7 1341 1398 1404 7 1338 1341 1344 31 1335 1332 1338 6 1335 1332 1392 5 1332 1392 1395 5 1329 1323 1332 34 1326 1323 1329 35 1326 1323 1332 34 1323 1332 1335 36 1320 1323 1326 42 1320 1323 1329 42 1500 1497 1503 3 1494 1491 1497 5 1494 1491 1506 6 1491 1497 1500 7 1491 1497 1503 7 1479 1476 1482 10 1473 1476 1479 12 1473 1476 1482 12 1470 1467 1473 79 1461 1467 1470 46 1452 1449 1455 66 1446 1449 1452 69 1443 1440 1446 26 1443 1440 1497 27 1440 1497 1500 7 1440 1497 1503 7 1437 1440 1443 31 1434 1431 1437 6 1434 1431 1491 5 1431 1491 1494 5 1428 1422 1431 34 1425 1422 1428 35 1425 1422 1431 34 1422 1431 1434 36 1419 1422 1425 42 1419 1422 1428 42 1590 1587 1593 3 1584 1581 1587 5 1584 1581 1596 6 1581 1587 1590 7 1581 1587 1593 7 1566 1563 1569 10 1560 1563 1566 12 1560 1563 1569 12 1557 1554 1560 14 1551 1548 1554 17 1548 1554 1557 19 1545 1548 1551 22 1542 1539 1545 26 1542 1539 1587 27 1539 1587 1590 7 1539 1587 1593 7 1536 1539 1542 31 1533 1530 1536 6 1533 1530 1581 5 1530 1581 1584 5 1527 1521 1530 34 1524 1521 1527 35 1524 1521 1530 34 1521 1530 1533 36 1518 1521 1524 42 1518 1521 1527 42 1680 1677 1683 3 1674 1671 1677 5 1674 1671 1686 6 1671 1677 1680 7 1671 1677 1683 7 1656 1653 1659 10 1650 1653 1656 12 1650 1653 1659 12 1647 1644 1650 14 1641 1638 1644 17 1638 1644 1647 19 1635 1638 1641 22 1632 1629 1635 26 1632 1629 1677 27 1629 1677 1680 7 1629 1677 1683 7 1626 1629 1632 31 1623 1620 1626 6 1623 1620 1671 5 1620 1671 1674 5 1617 1611 1620 34 1614 1611 1617 35 1614 1611 1620 34 1611 1620 1623 36 1608 1611 1614 42 1608 1611 1617 42 1776 1773 1779 3 1770 1767 1773 5 1770 1767 1782 6 1767 1773 1776 7 1767 1773 1779 7 1758 1755 1761 46 1749 1755 1758 46 1743 1737 1746 3 1740 1737 1743 3 1740 1737 1746 3 1734 1737 1740 50 1734 1737 1743 50 1734 1737 1746 50 1731 1728 1734 17 1725 1728 1731 22 1722 1719 1725 26 1722 1719 1773 27 1719 1773 1776 7 1719 1773 1779 7 1716 1719 1722 31 1713 1710 1716 6 1713 1710 1767 5 1710 1767 1770 5 1707 1701 1710 34 1704 1701 1707 35 1704 1701 1710 34 1701 1710 1713 36 1698 1701 1704 42 1698 1701 1707 42 1875 1872 1878 3 1869 1866 1872 5 1869 1866 1881 6 1866 1872 1875 7 1866 1872 1878 7 1854 1851 1857 10 1848 1851 1854 12 1848 1851 1857 12 1845 1842 1848 79 1836 1842 1845 46 1827 1824 1830 66 1821 1824 1827 69 1818 1815 1821 26 1818 1815 1872 27 1815 1872 1875 7 1815 1872 1878 7 1812 1815 1818 31 1809 1806 1812 6 1809 1806 1866 5 1806 1866 1869 5 1803 1797 1806 34 1800 1797 1803 35 1800 1797 1806 34 1797 1806 1809 36 1794 1797 1800 42 1794 1797 1803 42 1971 1968 1974 3 1965 1962 1968 5 1965 1962 1977 6 1962 1968 1971 7 1962 1968 1974 7 1953 1950 1956 56 1947 1950 1953 56 1941 1938 1944 10 1935 1938 1941 12 1935 1938 1944 12 1926 1923 1929 66 1920 1923 1926 69 1917 1914 1920 26 1917 1914 1968 27 1914 1968 1971 7 1914 1968 1974 7 1911 1914 1917 31 1908 1905 1911 6 1908 1905 1962 5 1905 1962 1965 5 1902 1896 1905 34 1899 1896 1902 35 1899 1896 1905 34 1896 1905 1908 36 1893 1896 1899 42 1893 1896 1902 42 2070 2067 2073 3 2064 2061 2067 5 2064 2061 2076 6 2061 2067 2070 7 2061 2067 2073 7 2049 2046 2052 10 2043 2046 2049 12 2043 2046 2052 12 2040 2037 2043 79 2031 2037 2040 46 2022 2019 2025 66 2016 2019 2022 69 2013 2010 2016 26 2013 2010 2067 27 2010 2067 2070 7 2010 2067 2073 7 2007 2010 2013 31 2004 2001 2007 6 2004 2001 2061 5 2001 2061 2064 5 1998 1992 2001 34 1995 1992 1998 35 1995 1992 2001 34 1992 2001 2004 36 1989 1992 1995 42 1989 1992 1998 42 2169 2166 2172 3 2163 2160 2166 5 2163 2160 2175 76 2160 2166 2169 7 2160 2166 2172 7 2160 2175 2178 77 2148 2145 2151 10 2142 2145 2148 12 2142 2145 2151 12 2139 2136 2142 79 2130 2136 2139 46 2121 2118 2124 66 2115 2118 2121 69 2112 2109 2115 26 2112 2109 2166 27 2109 2166 2169 7 2109 2166 2172 7 2106 2109 2112 31 2103 2100 2106 6 2103 2100 2160 5 2100 2160 2163 5 2097 2091 2100 34 2094 2091 2097 35 2094 2091 2100 34 2091 2100 2103 36 2088 2091 2094 42 2088 2091 2097 42 2328 2325 2331 46 2319 2316 2322 10 2313 2316 2319 12 2313 2316 2322 12 2313 2325 2328 79 2301 2298 2304 69 2295 2298 2301 88 2283 2271 2286 3 2277 2274 2280 3 2274 2271 2283 7 2274 2271 2286 7 2274 2235 2289 92 2271 2274 2277 7 2271 2274 2280 7 2268 2256 2271 92 2262 2259 2265 93 2259 2256 2268 94 2256 2259 2262 97 2256 2259 2265 97 2256 2271 2283 7 2256 2271 2286 7 2253 2247 2256 7 2250 2247 2253 3 2250 2247 2256 7 2247 2256 2268 92 2244 2238 2247 7 2241 2238 2244 3 2241 2238 2247 7 2238 2235 2289 92 2238 2247 2250 7 2238 2247 2253 7 2235 2229 2292 98 2235 2238 2241 7 2235 2238 2244 7 2235 2274 2277 7 2235 2274 2280 7 2232 2229 2235 98 2232 2229 2292 99 2229 2235 2289 103 2226 2229 2232 104 2226 2229 2292 104 2226 2259 2262 109 2226 2259 2265 109 2211 2208 2214 46 2202 2199 2205 10 2196 2199 2202 12 2196 2199 2205 12 2196 2208 2211 79 2184 2181 2187 69 2184 2181 2223 117 %FLAG ANGLES_WITHOUT_HYDROGEN %FORMAT(10I8) 81 84 87 1 81 84 90 1 81 84 93 2 72 66 81 4 66 81 84 8 57 60 63 9 48 45 57 11 45 57 60 13 39 45 48 15 39 45 57 16 33 30 60 18 33 39 45 20 30 24 72 21 30 33 39 23 30 60 57 24 30 60 63 25 24 30 33 28 24 30 60 29 24 72 66 30 21 15 66 4 21 24 30 32 21 24 72 4 15 21 24 33 15 66 72 30 15 66 81 4 6 15 21 37 6 15 66 38 3 6 15 40 171 174 177 1 171 174 180 1 171 174 183 2 162 156 171 4 156 171 174 8 147 150 153 9 138 135 147 11 135 147 150 13 129 135 138 15 129 135 147 16 123 120 150 18 123 129 135 20 120 114 162 21 120 123 129 23 120 150 147 24 120 150 153 25 114 120 123 28 114 120 150 29 114 162 156 30 111 105 156 4 111 114 120 32 111 114 162 4 105 111 114 33 105 156 162 30 105 156 171 4 96 105 111 37 96 105 156 38 93 96 105 43 90 84 93 1 87 84 90 44 87 84 93 1 84 93 96 45 267 270 273 1 267 270 276 1 267 270 279 2 258 252 267 4 252 267 270 8 240 246 249 47 237 234 240 47 234 240 246 48 222 219 234 49 219 234 237 51 219 234 240 52 213 210 246 18 213 219 222 53 213 219 234 54 210 204 258 21 210 213 219 23 210 246 240 55 210 246 249 25 204 210 213 28 204 210 246 29 204 258 252 30 201 195 252 4 201 204 210 32 201 204 258 4 195 201 204 33 195 252 258 30 195 252 267 4 186 195 201 37 186 195 252 38 183 186 195 43 180 174 183 1 177 174 180 44 177 174 183 1 174 183 186 45 357 360 363 1 357 360 366 1 357 360 369 2 348 342 357 4 342 357 360 8 333 336 339 9 324 321 333 11 321 333 336 13 315 321 324 15 315 321 333 16 309 306 336 18 309 315 321 20 306 300 348 21 306 309 315 23 306 336 333 24 306 336 339 25 300 306 309 28 300 306 336 29 300 348 342 30 297 291 342 4 297 300 306 32 297 300 348 4 291 297 300 33 291 342 348 30 291 342 357 4 282 291 297 37 282 291 342 38 279 282 291 43 276 270 279 1 273 270 276 44 273 270 279 1 270 279 282 45 453 456 459 1 453 456 462 1 453 456 465 2 444 438 453 4 438 453 456 8 426 432 435 57 423 426 432 58 414 411 423 11 411 408 435 59 411 423 426 60 408 411 414 61 408 411 423 62 408 435 432 63 405 408 411 64 405 408 435 65 399 396 435 67 399 405 408 68 396 390 444 21 396 399 405 70 396 435 408 71 396 435 432 72 390 396 399 73 390 396 435 74 390 444 438 30 387 381 438 4 387 390 396 32 387 390 444 4 381 387 390 33 381 438 444 30 381 438 453 4 372 381 387 37 372 381 438 38 369 372 381 43 366 360 369 1 363 360 366 44 363 360 369 1 360 369 372 45 507 510 513 1 507 510 516 1 507 510 519 2 498 486 2187 21 498 492 507 4 492 507 510 8 486 498 492 30 486 2187 2181 73 486 2187 2190 74 483 477 492 4 483 486 498 4 483 486 2187 32 477 483 486 33 477 492 498 30 477 492 507 4 468 477 483 37 468 477 492 38 465 468 477 43 462 456 465 1 459 456 462 44 459 456 465 1 456 465 468 45 561 564 567 1 561 564 570 1 561 564 573 2 552 540 2304 21 552 546 561 4 546 561 564 8 540 552 546 30 540 2304 2298 73 540 2304 2307 74 537 531 546 4 537 540 552 4 537 540 2304 32 531 537 540 33 531 546 552 30 531 546 561 4 522 531 537 37 522 531 546 38 519 522 531 43 516 510 519 1 513 510 516 44 513 510 519 1 510 519 522 45 651 654 657 1 651 654 660 1 651 654 663 2 642 636 651 4 636 651 654 8 627 630 633 9 618 615 627 11 615 627 630 13 609 615 618 15 609 615 627 16 603 600 630 18 603 609 615 20 600 594 642 21 600 603 609 23 600 630 627 24 600 630 633 25 594 600 603 28 594 600 630 29 594 642 636 30 591 585 636 4 591 594 600 32 591 594 642 4 585 591 594 33 585 636 642 30 585 636 651 4 576 585 591 37 576 585 636 38 573 576 585 43 570 564 573 1 567 564 570 44 567 564 573 1 564 573 576 45 741 744 747 1 741 744 750 1 741 744 753 2 732 726 741 4 726 741 744 8 717 720 723 9 708 705 717 11 705 717 720 13 699 705 708 15 699 705 717 16 693 690 720 18 693 699 705 20 690 684 732 21 690 693 699 23 690 720 717 24 690 720 723 25 684 690 693 28 684 690 720 29 684 732 726 30 681 675 726 4 681 684 690 32 681 684 732 4 675 681 684 33 675 726 732 30 675 726 741 4 666 675 681 37 666 675 726 38 663 666 675 43 660 654 663 1 657 654 660 44 657 654 663 1 654 663 666 45 837 840 843 1 837 840 846 1 837 840 849 2 828 822 837 4 822 837 840 8 810 816 819 47 807 804 810 47 804 810 816 48 792 789 804 49 789 804 807 51 789 804 810 52 783 780 816 18 783 789 792 53 783 789 804 54 780 774 828 21 780 783 789 23 780 816 810 55 780 816 819 25 774 780 783 28 774 780 816 29 774 828 822 30 771 765 822 4 771 774 780 32 771 774 828 4 765 771 774 33 765 822 828 30 765 822 837 4 756 765 771 37 756 765 822 38 753 756 765 43 750 744 753 1 747 744 750 44 747 744 753 1 744 753 756 45 927 930 933 1 927 930 936 1 927 930 939 2 918 912 927 4 912 927 930 8 903 906 909 9 894 891 903 11 891 903 906 13 885 891 894 15 885 891 903 16 879 876 906 18 879 885 891 20 876 870 918 21 876 879 885 23 876 906 903 24 876 906 909 25 870 876 879 28 870 876 906 29 870 918 912 30 867 861 912 4 867 870 876 32 867 870 918 4 861 867 870 33 861 912 918 30 861 912 927 4 852 861 867 37 852 861 912 38 849 852 861 43 846 840 849 1 843 840 846 44 843 840 849 1 840 849 852 45 1008 1002 1017 75 993 996 999 9 984 981 993 11 981 993 996 13 975 981 984 15 975 981 993 16 969 966 996 18 969 975 981 20 966 960 1008 21 966 969 975 23 966 996 993 24 966 996 999 25 960 966 969 28 960 966 996 29 960 1008 1002 30 957 951 1002 4 957 960 966 32 957 960 1008 4 951 957 960 33 951 1002 1008 30 951 1002 1017 75 942 951 957 37 942 951 1002 38 939 942 951 43 936 930 939 1 933 930 936 44 933 930 939 1 930 939 942 45 1113 1116 1119 1 1113 1116 1122 1 1113 1116 1125 2 1104 1098 1113 4 1098 1113 1116 8 1083 1080 1092 11 1080 1092 1095 78 1074 1080 1083 80 1074 1080 1092 81 1071 1068 1074 47 1068 1065 1095 82 1068 1074 1080 83 1065 1068 1071 84 1065 1068 1074 85 1065 1095 1092 63 1062 1065 1068 86 1062 1065 1095 65 1056 1053 1095 67 1056 1062 1065 68 1053 1047 1104 21 1053 1056 1062 70 1053 1095 1065 71 1053 1095 1092 72 1047 1053 1056 73 1047 1053 1095 74 1047 1104 1098 30 1044 1038 1098 4 1044 1047 1053 32 1044 1047 1104 4 1038 1044 1047 33 1038 1098 1104 30 1038 1098 1113 4 1029 1038 1044 37 1029 1038 1098 38 1026 1029 1038 40 1212 1215 1218 1 1212 1215 1221 1 1212 1215 1224 2 1203 1197 1212 4 1197 1212 1215 8 1182 1179 1191 11 1179 1191 1194 78 1173 1179 1182 80 1173 1179 1191 81 1170 1167 1173 47 1167 1164 1194 82 1167 1173 1179 83 1164 1167 1170 84 1164 1167 1173 85 1164 1194 1191 63 1161 1164 1167 86 1161 1164 1194 65 1155 1152 1194 67 1155 1161 1164 68 1152 1146 1203 21 1152 1155 1161 70 1152 1194 1164 71 1152 1194 1191 72 1146 1152 1155 73 1146 1152 1194 74 1146 1203 1197 30 1143 1137 1197 4 1143 1146 1152 32 1143 1146 1203 4 1137 1143 1146 33 1137 1197 1203 30 1137 1197 1212 4 1128 1137 1143 37 1128 1137 1197 38 1125 1128 1137 43 1122 1116 1125 1 1119 1116 1122 44 1119 1116 1125 1 1116 1125 1128 45 1308 1311 1314 1 1308 1311 1317 1 1308 1311 1320 2 1299 1293 1308 4 1293 1308 1311 8 1281 1287 1290 57 1278 1281 1287 58 1269 1266 1278 11 1266 1263 1290 59 1266 1278 1281 60 1263 1266 1269 61 1263 1266 1278 62 1263 1290 1287 63 1260 1263 1266 64 1260 1263 1290 65 1254 1251 1290 67 1254 1260 1263 68 1251 1245 1299 21 1251 1254 1260 70 1251 1290 1263 71 1251 1290 1287 72 1245 1251 1254 73 1245 1251 1290 74 1245 1299 1293 30 1242 1236 1293 4 1242 1245 1251 32 1242 1245 1299 4 1236 1242 1245 33 1236 1293 1299 30 1236 1293 1308 4 1227 1236 1242 37 1227 1236 1293 38 1224 1227 1236 43 1221 1215 1224 1 1218 1215 1221 44 1218 1215 1224 1 1215 1224 1227 45 1407 1410 1413 1 1407 1410 1416 1 1407 1410 1419 2 1398 1392 1407 4 1392 1407 1410 8 1377 1374 1386 11 1374 1386 1389 78 1368 1374 1377 80 1368 1374 1386 81 1365 1362 1368 47 1362 1359 1389 82 1362 1368 1374 83 1359 1362 1365 84 1359 1362 1368 85 1359 1389 1386 63 1356 1359 1362 86 1356 1359 1389 65 1350 1347 1389 67 1350 1356 1359 68 1347 1341 1398 21 1347 1350 1356 70 1347 1389 1359 71 1347 1389 1386 72 1341 1347 1350 73 1341 1347 1389 74 1341 1398 1392 30 1338 1332 1392 4 1338 1341 1347 32 1338 1341 1398 4 1332 1338 1341 33 1332 1392 1398 30 1332 1392 1407 4 1323 1332 1338 37 1323 1332 1392 38 1320 1323 1332 43 1317 1311 1320 1 1314 1311 1317 44 1314 1311 1320 1 1311 1320 1323 45 1506 1509 1512 1 1506 1509 1515 1 1506 1509 1518 2 1497 1491 1506 4 1491 1506 1509 8 1476 1473 1485 11 1473 1485 1488 78 1467 1473 1476 80 1467 1473 1485 81 1464 1461 1467 47 1461 1458 1488 82 1461 1467 1473 83 1458 1461 1464 84 1458 1461 1467 85 1458 1488 1485 63 1455 1458 1461 86 1455 1458 1488 65 1449 1446 1488 67 1449 1455 1458 68 1446 1440 1497 21 1446 1449 1455 70 1446 1488 1458 71 1446 1488 1485 72 1440 1446 1449 73 1440 1446 1488 74 1440 1497 1491 30 1437 1431 1491 4 1437 1440 1446 32 1437 1440 1497 4 1431 1437 1440 33 1431 1491 1497 30 1431 1491 1506 4 1422 1431 1437 37 1422 1431 1491 38 1419 1422 1431 43 1416 1410 1419 1 1413 1410 1416 44 1413 1410 1419 1 1410 1419 1422 45 1596 1599 1602 1 1596 1599 1605 1 1596 1599 1608 2 1587 1581 1596 4 1581 1596 1599 8 1572 1575 1578 9 1563 1560 1572 11 1560 1572 1575 13 1554 1560 1563 15 1554 1560 1572 16 1548 1545 1575 18 1548 1554 1560 20 1545 1539 1587 21 1545 1548 1554 23 1545 1575 1572 24 1545 1575 1578 25 1539 1545 1548 28 1539 1545 1575 29 1539 1587 1581 30 1536 1530 1581 4 1536 1539 1545 32 1536 1539 1587 4 1530 1536 1539 33 1530 1581 1587 30 1530 1581 1596 4 1521 1530 1536 37 1521 1530 1581 38 1518 1521 1530 43 1515 1509 1518 1 1512 1509 1515 44 1512 1509 1518 1 1509 1518 1521 45 1686 1689 1692 1 1686 1689 1695 1 1686 1689 1698 2 1677 1671 1686 4 1671 1686 1689 8 1662 1665 1668 9 1653 1650 1662 11 1650 1662 1665 13 1644 1650 1653 15 1644 1650 1662 16 1638 1635 1665 18 1638 1644 1650 20 1635 1629 1677 21 1635 1638 1644 23 1635 1665 1662 24 1635 1665 1668 25 1629 1635 1638 28 1629 1635 1665 29 1629 1677 1671 30 1626 1620 1671 4 1626 1629 1635 32 1626 1629 1677 4 1620 1626 1629 33 1620 1671 1677 30 1620 1671 1686 4 1611 1620 1626 37 1611 1620 1671 38 1608 1611 1620 43 1605 1599 1608 1 1602 1599 1605 44 1602 1599 1608 1 1599 1608 1611 45 1782 1785 1788 1 1782 1785 1791 1 1782 1785 1794 2 1773 1767 1782 4 1767 1782 1785 8 1755 1761 1764 47 1752 1749 1755 47 1749 1755 1761 48 1737 1734 1749 49 1734 1749 1752 51 1734 1749 1755 52 1728 1725 1761 18 1728 1734 1737 53 1728 1734 1749 54 1725 1719 1773 21 1725 1728 1734 23 1725 1761 1755 55 1725 1761 1764 25 1719 1725 1728 28 1719 1725 1761 29 1719 1773 1767 30 1716 1710 1767 4 1716 1719 1725 32 1716 1719 1773 4 1710 1716 1719 33 1710 1767 1773 30 1710 1767 1782 4 1701 1710 1716 37 1701 1710 1767 38 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