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1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.40100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.40100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.20100000E+01 1.00800000E+00 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.60000000E+01 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 3.20600000E+01 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.40100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.00800000E+00 %FLAG ATOM_TYPE_INDEX %FORMAT(10I8) 1 2 1 1 3 4 5 6 2 7 2 1 1 2 1 1 8 9 9 3 4 5 6 2 7 2 1 2 1 1 1 2 1 1 1 3 4 5 6 2 7 2 1 1 2 1 1 2 1 1 2 10 10 11 6 6 6 3 4 5 6 2 7 2 1 1 2 1 1 3 4 5 6 6 3 4 5 6 2 7 2 1 1 2 1 2 1 1 1 2 1 1 1 3 4 5 6 2 7 2 1 1 2 1 1 8 9 9 3 4 5 6 2 7 2 1 1 1 3 4 5 6 2 7 2 1 1 2 1 1 8 9 9 3 4 5 6 2 7 2 1 2 1 1 1 2 1 1 1 3 4 5 6 2 7 2 1 1 2 1 1 8 9 9 3 4 5 6 2 7 2 1 1 2 1 1 8 9 9 3 4 5 6 2 7 2 1 1 2 1 2 1 1 1 2 1 1 1 3 4 5 6 2 7 2 1 1 2 1 1 8 9 9 3 4 5 6 2 7 2 7 7 12 13 3 4 5 6 2 7 2 1 1 2 1 1 8 9 9 3 4 5 6 2 7 2 1 1 2 1 2 1 1 1 2 1 1 1 3 4 5 6 2 7 2 1 1 8 8 14 11 6 8 8 15 8 15 8 15 8 15 8 3 4 5 6 2 7 2 1 1 8 11 6 8 16 11 8 14 3 4 5 6 2 7 2 1 1 2 1 2 1 1 1 2 1 1 1 3 4 5 6 2 7 2 1 1 2 1 1 8 9 9 3 4 5 6 2 7 2 1 1 3 4 5 6 6 3 4 5 6 2 7 2 1 1 2 1 1 8 9 9 3 4 5 6 2 7 2 1 2 1 1 1 2 1 1 1 3 4 5 6 2 7 2 1 1 1 3 4 5 6 2 7 2 1 1 2 1 1 2 7 7 11 6 8 11 6 6 11 6 6 3 4 5 6 2 7 2 1 1 2 1 2 1 1 1 2 1 1 1 3 4 5 6 2 7 2 1 1 2 1 1 8 9 9 3 4 5 6 3 4 17 1 17 1 1 18 18 19 5 6 2 7 2 1 1 2 1 1 8 9 9 3 4 5 6 2 7 2 1 1 3 4 5 6 6 3 4 5 6 2 7 2 1 1 1 3 4 5 6 2 7 2 1 1 2 1 1 8 9 9 3 4 5 6 2 7 2 7 7 20 3 4 5 6 2 7 2 1 1 2 1 1 8 9 9 3 4 5 6 2 7 2 1 1 1 3 4 5 6 6 1 2 1 1 3 4 5 6 2 7 2 1 1 2 1 1 2 1 1 2 10 10 11 6 6 6 3 4 5 6 2 7 2 1 2 1 1 1 2 1 1 1 3 4 5 6 2 7 2 1 1 2 1 1 2 1 1 2 10 10 11 6 6 6 3 4 5 6 2 7 2 1 1 2 1 1 3 4 5 6 6 3 4 5 6 2 7 2 1 1 2 1 2 1 1 1 2 1 1 1 3 4 5 6 2 7 2 1 1 2 1 1 2 1 1 2 10 10 11 6 6 6 3 4 5 6 2 7 2 1 1 1 3 4 5 6 2 7 2 1 1 2 1 1 2 1 1 2 10 10 11 6 6 6 3 4 5 6 2 7 2 1 2 1 1 1 2 1 1 1 3 4 5 6 2 7 2 1 1 2 1 1 8 9 9 3 4 5 6 2 7 2 1 1 2 1 1 8 9 9 3 4 5 6 2 7 2 1 1 2 1 2 1 1 1 2 1 1 1 3 4 5 6 2 7 2 1 1 2 1 1 2 1 1 2 10 10 11 6 6 6 3 4 5 6 2 7 2 7 7 12 13 3 4 5 6 2 7 2 1 1 2 1 1 2 1 1 2 10 10 11 6 6 6 3 4 5 6 2 7 2 1 1 2 1 2 1 1 1 2 1 1 1 3 4 5 6 2 7 2 1 1 8 8 14 11 6 8 8 15 8 15 8 15 8 15 8 3 4 5 6 2 7 2 1 1 8 11 6 8 16 11 8 14 3 4 5 6 2 7 2 1 1 2 1 2 1 1 1 2 1 1 1 3 4 5 6 2 7 2 1 1 2 1 1 2 1 1 2 10 10 11 6 6 6 3 4 5 6 2 7 2 1 1 3 4 5 6 6 3 4 5 6 2 7 2 1 1 2 1 1 2 1 1 2 10 10 11 6 6 6 3 4 5 6 2 7 2 1 2 1 1 1 2 1 1 1 3 4 5 6 2 7 2 1 1 1 3 4 5 6 2 7 2 1 1 2 1 1 2 7 7 11 6 8 11 6 6 11 6 6 3 4 5 6 2 7 2 1 1 2 1 2 1 1 1 2 1 1 1 3 4 5 6 2 7 2 1 1 2 1 1 2 1 1 2 10 10 11 6 6 6 3 4 5 6 2 7 2 1 1 2 1 1 2 1 1 2 10 10 11 6 6 6 3 4 5 6 2 7 2 1 1 2 1 1 2 1 1 2 10 10 11 6 6 6 3 4 5 6 2 7 2 1 1 3 4 5 6 6 3 4 5 6 3 4 17 1 17 1 1 18 18 19 5 6 2 7 2 1 1 2 1 1 8 9 9 3 4 5 6 2 7 2 7 7 20 3 4 5 6 2 7 2 1 1 2 1 1 2 1 1 2 10 10 11 6 6 6 3 4 5 6 2 7 2 1 1 1 3 4 5 6 6 %FLAG NUMBER_EXCLUDED_ATOMS %FORMAT(10I8) 6 7 4 3 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 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 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 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 6 4 3 2 1 1 7 3 10 4 11 7 7 4 3 2 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 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 12 5 4 8 6 4 4 2 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 6 4 3 2 1 1 7 3 10 4 12 7 10 5 4 5 3 2 1 1 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 16 7 12 9 8 3 2 1 4 2 1 1 7 3 10 4 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 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 13 6 9 5 6 3 2 2 1 1 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 12 7 10 5 4 5 3 2 1 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 11 7 8 4 3 6 7 3 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 10 7 6 3 2 1 4 3 2 1 1 6 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 16 7 12 9 8 3 2 1 4 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 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 10 7 6 3 2 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 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 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 11 7 7 4 3 2 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 13 7 15 6 5 10 8 7 3 2 1 3 2 1 1 7 3 10 4 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 12 5 4 8 6 4 4 2 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 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 12 7 10 5 4 5 3 2 1 1 7 3 10 4 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 16 7 12 9 8 3 2 1 4 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 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 13 7 12 6 5 10 5 4 9 5 4 6 5 4 3 2 1 1 7 3 10 4 12 7 10 5 4 5 3 2 1 1 7 3 10 4 13 6 9 5 6 3 2 2 1 1 10 4 13 7 11 6 5 6 4 3 2 1 1 7 3 10 4 10 7 6 3 2 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 4 3 2 1 1 %FLAG NONBONDED_PARM_INDEX %FORMAT(10I8) 1 2 4 7 11 16 22 29 37 46 56 67 79 92 106 121 137 154 172 191 2 3 5 8 12 17 23 30 38 47 57 68 80 93 107 122 138 155 173 192 4 5 6 9 13 18 24 31 39 48 58 69 81 94 108 123 139 156 174 193 7 8 9 10 14 19 25 32 40 49 59 70 82 95 109 124 140 157 175 194 11 12 13 14 15 20 26 33 41 50 60 71 83 96 110 125 141 158 176 195 16 17 18 19 20 21 27 34 42 51 61 72 84 97 111 126 142 159 177 196 22 23 24 25 26 27 28 35 43 52 62 73 85 98 112 127 143 160 178 197 29 30 31 32 33 34 35 36 44 53 63 74 86 99 113 128 144 161 179 198 37 38 39 40 41 42 43 44 45 54 64 75 87 100 114 129 145 162 180 199 46 47 48 49 50 51 52 53 54 55 65 76 88 101 115 130 146 163 181 200 56 57 58 59 60 61 62 63 64 65 66 77 89 102 116 131 147 164 182 201 67 68 69 70 71 72 73 74 75 76 77 78 90 103 117 132 148 165 183 202 79 80 81 82 83 84 85 86 87 88 89 90 91 104 118 133 149 166 184 203 92 93 94 95 96 97 98 99 100 101 102 103 104 105 119 134 150 167 185 204 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 135 151 168 186 205 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 152 169 187 206 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 170 188 207 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 189 208 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 209 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 %FLAG RESIDUE_LABEL %FORMAT(20a4) ACE GLU VAL LYS GLN LEU GLU ALA GLU VAL GLU GLU LEU GLU SER GLU LEU TRP HID LEU GLU ASN GLU VAL ALA ARG LEU GLU PRG GLU ASN ALA GLU CYX GLU ALA NHE ACE LYS VAL LYS GLN LEU LYS ALA LYS VAL GLU GLU LEU LYS SER LYS LEU TRP HID LEU LYS ASN LYS VAL ALA ARG LEU LYS LYS LYS ASN PRG GLU CYX LYS ALA NHE %FLAG RESIDUE_POINTER %FORMAT(10I8) 1 7 22 38 60 77 96 111 121 136 152 167 182 201 216 227 242 261 285 302 321 336 350 365 381 391 415 434 449 461 476 490 500 515 525 540 550 553 559 581 597 619 636 655 677 687 709 725 740 755 774 796 807 829 848 872 889 908 930 944 966 982 992 1016 1035 1057 1079 1101 1115 1127 1142 1152 1174 1184 %FLAG BOND_FORCE_CONSTANT %FORMAT(5E16.8) 6.52600000E+02 4.90000000E+02 3.40000000E+02 3.17000000E+02 6.56000000E+02 3.40000000E+02 3.17000000E+02 3.10000000E+02 3.40000000E+02 3.10000000E+02 3.17000000E+02 5.27300000E+02 3.37000000E+02 3.40000000E+02 3.10000000E+02 3.10000000E+02 4.34000000E+02 3.40000000E+02 3.67000000E+02 3.40000000E+02 3.10000000E+02 3.10000000E+02 3.17000000E+02 3.10000000E+02 3.10000000E+02 5.53000000E+02 3.40000000E+02 3.20000000E+02 3.67000000E+02 4.69000000E+02 4.69000000E+02 4.69000000E+02 4.47000000E+02 4.34000000E+02 4.28000000E+02 3.67000000E+02 4.27000000E+02 5.46000000E+02 3.88000000E+02 3.17000000E+02 3.67000000E+02 4.10000000E+02 3.67000000E+02 4.88000000E+02 4.77000000E+02 4.22000000E+02 5.12000000E+02 3.17000000E+02 4.34000000E+02 4.81000000E+02 3.40000000E+02 3.37000000E+02 4.33700000E+02 8.37300000E+02 3.75900000E+02 2.95900000E+02 3.75900000E+02 2.32500000E+02 2.43200000E+02 2.63800000E+02 1.66000000E+02 2.27000000E+02 %FLAG BOND_EQUIL_VALUE %FORMAT(5E16.8) 1.21800000E+00 1.33500000E+00 1.09000000E+00 1.52200000E+00 1.25000000E+00 1.09000000E+00 1.52200000E+00 1.52600000E+00 1.09000000E+00 1.52600000E+00 1.52200000E+00 1.01300000E+00 1.44900000E+00 1.09000000E+00 1.52600000E+00 1.52600000E+00 1.01000000E+00 1.09000000E+00 1.47100000E+00 1.09000000E+00 1.52600000E+00 1.52600000E+00 1.52200000E+00 1.52600000E+00 1.52600000E+00 9.60000000E-01 1.09000000E+00 1.41000000E+00 1.08000000E+00 1.40400000E+00 1.40000000E+00 1.40000000E+00 1.41900000E+00 1.01000000E+00 1.38000000E+00 1.08000000E+00 1.38100000E+00 1.35200000E+00 1.45900000E+00 1.49500000E+00 1.08000000E+00 1.39400000E+00 1.08000000E+00 1.33500000E+00 1.34300000E+00 1.38500000E+00 1.37500000E+00 1.50400000E+00 1.01000000E+00 1.34000000E+00 1.09000000E+00 1.46300000E+00 1.06700000E+00 1.19800000E+00 1.09700000E+00 1.46700000E+00 1.09700000E+00 1.53800000E+00 1.52400000E+00 1.46200000E+00 2.03800000E+00 1.81000000E+00 %FLAG ANGLE_FORCE_CONSTANT %FORMAT(5E16.8) 8.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 3.50000000E+01 8.00000000E+01 7.00000000E+01 8.00000000E+01 5.00000000E+01 3.50000000E+01 7.00000000E+01 5.00000000E+01 6.30000000E+01 6.30000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 4.00000000E+01 8.00000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 8.00000000E+01 6.30000000E+01 4.00000000E+01 5.00000000E+01 6.30000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 4.00000000E+01 8.00000000E+01 3.50000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 8.00000000E+01 4.00000000E+01 6.30000000E+01 5.00000000E+01 5.00000000E+01 4.00000000E+01 8.00000000E+01 3.50000000E+01 5.00000000E+01 8.00000000E+01 7.00000000E+01 6.30000000E+01 5.00000000E+01 5.00000000E+01 4.00000000E+01 4.00000000E+01 6.30000000E+01 5.00000000E+01 5.00000000E+01 8.00000000E+01 5.00000000E+01 3.50000000E+01 5.50000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 6.30000000E+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 5.00000000E+01 6.30000000E+01 5.00000000E+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 5.00000000E+01 5.00000000E+01 7.00000000E+01 5.00000000E+01 7.00000000E+01 5.00000000E+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 6.30000000E+01 3.50000000E+01 7.00000000E+01 5.00000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 8.00000000E+01 5.00000000E+01 4.48000000E+01 4.89000000E+01 3.90000000E+01 5.80000000E+01 4.68000000E+01 7.00000000E+01 4.68000000E+01 6.63000000E+01 8.46000000E+01 4.74000000E+01 6.53000000E+01 4.61000000E+01 8.45000000E+01 6.14000000E+01 8.32000000E+01 6.80000000E+01 5.00000000E+01 5.00000000E+01 %FLAG ANGLE_EQUIL_VALUE %FORMAT(5E16.8) 2.14501057E+00 2.09439600E+00 2.12755727E+00 1.91113635E+00 1.91113635E+00 2.10137732E+00 2.03505478E+00 2.19911580E+00 1.91113635E+00 1.91113635E+00 2.04203610E+00 1.91113635E+00 1.93906163E+00 1.93906163E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 2.10137732E+00 2.03505478E+00 2.06018753E+00 1.91113635E+00 1.91462701E+00 1.92160833E+00 1.91113635E+00 1.91113635E+00 1.93906163E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91462701E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.94080696E+00 1.91113635E+00 1.93906163E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91462701E+00 2.09439600E+00 1.91113635E+00 2.10137732E+00 2.03505478E+00 1.93906163E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.93906163E+00 1.91113635E+00 1.91113635E+00 1.91462701E+00 1.91113635E+00 1.91113635E+00 1.89368305E+00 1.91113635E+00 1.91113635E+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 2.09439600E+00 1.85703112E+00 2.09439600E+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 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 2.09439600E+00 1.91113635E+00 2.09439600E+00 2.09439600E+00 1.97396823E+00 1.93906163E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 1.91113635E+00 1.91113635E+00 2.06647072E+00 2.15024656E+00 1.91113635E+00 1.94080696E+00 2.12755727E+00 3.12606056E+00 1.90956555E+00 1.87762601E+00 3.11558858E+00 1.91637234E+00 2.03505478E+00 1.91637234E+00 1.94970814E+00 2.15024656E+00 1.89839544E+00 1.93801443E+00 2.05390434E+00 1.90345690E+00 1.91113635E+00 1.94796281E+00 1.80990721E+00 1.91113635E+00 2.00189351E+00 %FLAG DIHEDRAL_FORCE_CONSTANT %FORMAT(5E16.8) 2.00000000E+00 2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 8.00000000E-01 8.00000000E-02 4.21000000E-01 3.93000000E-01 1.44000000E-01 1.45000000E-01 1.55555556E-01 1.50000000E-01 3.90000000E-01 6.40000000E-02 0.00000000E+00 1.60000000E-01 1.36700000E+00 2.22000000E-01 6.08000000E-01 5.60000000E-02 1.00000000E-01 1.84000000E-01 7.80000000E-02 0.00000000E+00 0.00000000E+00 4.06000000E-01 2.89000000E-01 1.48000000E-01 1.12000000E-01 3.37000000E-01 2.16000000E-01 1.00000000E-03 2.00000000E-01 2.50000000E-01 1.80000000E-01 6.09000000E-01 8.45000000E-01 8.50000000E-02 4.20000000E-02 1.96000000E-01 8.30000000E-02 4.12000000E-01 1.38000000E-01 7.06000000E-01 6.20000000E-01 1.90000000E-01 3.79000000E-01 2.70000000E-02 1.42000000E-01 1.79000000E-01 9.80000000E-02 2.59000000E-01 7.30000000E-02 6.61000000E-01 2.18000000E-01 4.01000000E-01 1.29000000E-01 1.66666667E-01 2.50000000E-01 2.11000000E-01 4.44000000E-01 2.67000000E-01 7.00000000E-03 6.66000000E-01 2.46000000E-01 1.60000000E-01 3.62500000E+00 3.00000000E+00 3.50000000E+00 1.52500000E+00 6.52500000E+00 1.50000000E+00 1.67500000E+00 1.70000000E-02 3.53000000E-01 2.34000000E-01 7.40000000E-02 3.65000000E-01 4.08000000E-01 8.19000000E-01 9.50000000E-02 7.90000000E-02 3.13000000E-01 3.10000000E-02 5.00000000E+00 1.40000000E+00 2.40000000E+00 2.32500000E+00 5.15000000E+00 1.43000000E-01 2.44000000E-01 2.19000000E-01 2.50000000E-02 1.60000000E-01 3.92000000E-01 6.86000000E-01 3.70000000E-02 6.74000000E-01 7.50000000E-01 1.22000000E-01 1.00000000E-02 3.06000000E-01 2.21000000E-01 8.90000000E-02 1.04600000E+00 3.03000000E-01 3.30000000E-02 1.07000000E-01 8.28000000E-01 4.85000000E-01 3.01000000E-01 8.00000000E-03 6.88000000E-01 2.97000000E-01 5.90000000E-02 2.70000000E-01 4.20000000E-01 1.20000000E-01 8.30000000E-01 4.00000000E-02 2.70000000E-01 4.50000000E-01 1.58000000E+00 5.50000000E-01 6.02000000E-01 3.94000000E-01 3.23000000E-01 2.78000000E-01 5.60000000E-02 6.66000000E-01 3.02000000E-01 1.35000000E-01 3.33333333E-01 4.20000000E-01 4.48000000E+00 6.82000000E-01 3.79000000E-01 4.69000000E-01 2.10000000E-02 1.05000000E+01 1.10000000E+00 1.00000000E+00 0.00000000E+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 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 3.00000000E+00 3.00000000E+00 2.00000000E+00 4.00000000E+00 3.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 3.00000000E+00 1.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 4.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 4.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 4.00000000E+00 2.00000000E+00 3.00000000E+00 3.00000000E+00 1.00000000E+00 3.00000000E+00 2.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 4.00000000E+00 1.00000000E+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 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+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 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+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 0.00000000E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+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 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 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+00 3.14159400E+00 3.14159400E+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 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 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 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 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 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 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 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 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 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 %FLAG LENNARD_JONES_ACOEF %FORMAT(5E16.8) 7.94617769E+03 1.01372942E+05 1.04308023E+06 8.12662403E+04 8.53193737E+05 6.96551276E+05 5.68021765E+04 6.37913494E+05 5.17507491E+05 3.76435470E+05 7.93773615E+04 8.61458248E+05 7.01106848E+05 5.15491878E+05 7.02078680E+05 9.47421632E+01 2.26409483E+03 1.71458823E+03 9.87857350E+02 1.52360475E+03 1.34728399E-01 5.10916075E+03 6.78771368E+04 5.42099106E+04 3.74148715E+04 5.26221036E+04 5.38411501E+01 3.25969625E+03 8.98799076E+04 9.24822270E+05 7.56463928E+05 5.65590822E+05 7.63791460E+05 2.00740581E+03 6.01816484E+04 8.19971662E+05 5.63419090E+04 6.47841731E+05 5.24402060E+05 3.78641356E+05 5.20462539E+05 9.14858779E+02 3.69471530E+04 5.74393458E+05 3.79876399E+05 1.42703904E+03 2.27401052E+04 1.78601506E+04 1.16505362E+04 1.68636880E+04 8.45902425E+00 8.79040886E+02 2.01619733E+04 1.12780457E+04 2.01823541E+02 9.33217616E+04 9.95480466E+05 8.11497350E+05 5.99897901E+05 8.14793385E+05 1.88178855E+03 6.20665997E+04 8.82619071E+05 6.06829342E+05 2.01791425E+04 9.44293233E+05 7.08225575E+04 7.91544157E+05 6.42430744E+05 4.68011805E+05 6.40405042E+05 1.24900897E+03 4.66922514E+04 7.01803794E+05 4.71003287E+05 1.45985502E+04 7.44975864E+05 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 0.00000000E+00 0.00000000E+00 0.00000000E+00 5.47737117E+03 7.18621074E+04 5.74592031E+04 3.98127143E+04 5.58833643E+04 5.99788431E+01 3.50301067E+03 6.37148278E+04 3.93690817E+04 9.55000044E+02 6.58473870E+04 4.96707306E+04 0.00000000E+00 3.76169105E+03 6.73963720E+03 8.59947003E+04 6.89371259E+04 4.81820985E+04 6.73331169E+04 8.03166617E+01 4.33325458E+03 7.62451550E+04 4.77908183E+04 1.21014911E+03 7.91627154E+04 6.00750218E+04 0.00000000E+00 4.64559155E+03 5.71629601E+03 4.43530964E+03 5.98885646E+04 4.77581094E+04 3.27958584E+04 4.62444096E+04 4.44659845E+01 2.82099197E+03 5.30987710E+04 3.23283631E+04 7.50063100E+02 5.46147253E+04 4.09427581E+04 0.00000000E+00 3.03448006E+03 3.76169105E+03 2.43828624E+03 1.00235148E+05 1.03184851E+06 8.43969952E+05 6.30925504E+05 8.52084164E+05 2.23577481E+03 6.71095195E+04 9.14863930E+05 6.40712560E+05 2.24743442E+04 9.84684600E+05 7.82881336E+05 0.00000000E+00 7.10513128E+04 8.50294791E+04 5.92092559E+04 1.02073671E+06 1.43334551E+05 1.44793073E+06 1.18640578E+06 8.92208123E+05 1.20132739E+06 3.37137075E+03 9.63038486E+04 1.28377333E+06 9.07927644E+05 3.27592795E+04 1.38616450E+06 1.10662338E+06 0.00000000E+00 1.01849631E+05 1.21592442E+05 8.50862112E+04 1.43239677E+06 2.00671338E+06 7.41026906E+03 9.38067954E+04 7.52549148E+04 5.27277400E+04 7.35931098E+04 9.04434904E+01 4.77162373E+03 8.31715633E+04 5.23449021E+04 1.34169202E+03 8.64679274E+04 6.57310418E+04 0.00000000E+00 5.11317150E+03 6.28513799E+03 4.14474284E+03 9.27554496E+04 1.32549375E+05 6.90855956E+03 2.11783234E+05 2.11351845E+06 1.73376823E+06 1.30884564E+06 1.75889445E+06 5.15374979E+03 1.42615819E+05 1.87390085E+06 1.33368524E+06 4.90026081E+04 2.02752779E+06 1.62294350E+06 0.00000000E+00 1.50723105E+05 1.79659945E+05 1.26117560E+05 2.09089895E+06 2.92607619E+06 1.95762765E+05 4.26366419E+06 %FLAG LENNARD_JONES_BCOEF %FORMAT(5E16.8) 2.57122925E+01 1.39078880E+02 6.75612247E+02 1.21392023E+02 5.95658566E+02 5.24668528E+02 1.11953944E+02 5.68167388E+02 4.98871431E+02 4.69350655E+02 1.36094315E+02 6.78964813E+02 5.97113873E+02 5.64804067E+02 6.77820248E+02 2.33785449E+00 1.73073921E+01 1.46824710E+01 1.22938581E+01 1.57004457E+01 7.34107347E-02 1.92174397E+01 1.06076943E+02 9.24130897E+01 8.46911674E+01 1.03284425E+02 1.64271443E+00 1.43076527E+01 1.23310980E+02 5.99015525E+02 5.28126496E+02 5.03752097E+02 6.01987997E+02 1.53451874E+01 9.40505980E+01 5.31102864E+02 1.22044000E+02 6.26720080E+02 5.49675335E+02 5.15240418E+02 6.21191325E+02 1.29497639E+01 9.21192136E+01 5.55666448E+02 5.64885984E+02 1.01563736E+01 6.13981767E+01 5.30440533E+01 4.72594809E+01 5.84691813E+01 6.51126010E-01 7.42992380E+00 5.44372326E+01 5.08951803E+01 3.56012899E+00 1.48987394E+02 7.36907417E+02 6.48597119E+02 6.15165511E+02 7.37244936E+02 1.76168249E+01 1.13252061E+02 6.53361429E+02 6.77220874E+02 6.45756063E+01 8.01323529E+02 1.36896727E+02 6.93079947E+02 6.08686716E+02 5.73100668E+02 6.89389438E+02 1.51381989E+01 1.03606917E+02 6.14502845E+02 6.29300710E+02 5.79323581E+01 7.50714425E+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 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.96722815E+01 1.07908863E+02 9.40636541E+01 8.63723599E+01 1.05230082E+02 1.71416196E+00 1.46638650E+01 9.56748258E+01 9.40124296E+01 7.65648470E+00 1.15327881E+02 1.05648788E+02 0.00000000E+00 1.50233639E+01 2.18216157E+01 1.18043746E+02 1.03031170E+02 9.50181887E+01 1.15508247E+02 1.98360701E+00 1.63092814E+01 1.04660679E+02 1.03580945E+02 8.61880722E+00 1.26451907E+02 1.16187983E+02 0.00000000E+00 1.66953734E+01 1.85196588E+01 1.77023375E+01 9.85097219E+01 8.57562161E+01 7.83922976E+01 9.57256348E+01 1.47593342E+00 1.31591746E+01 8.73413012E+01 8.51921330E+01 6.78541827E+00 1.05031585E+02 9.59185913E+01 0.00000000E+00 1.34932874E+01 1.50233639E+01 1.20953369E+01 1.37787728E+02 6.69494459E+02 5.90251928E+02 5.62969425E+02 6.72777963E+02 1.71355763E+01 1.05087646E+02 5.93591333E+02 6.20970728E+02 6.08139360E+01 7.30206155E+02 6.86742760E+02 0.00000000E+00 1.06903901E+02 1.16947855E+02 9.75893223E+01 6.63431737E+02 1.81752124E+02 8.74815443E+02 7.71958727E+02 7.38469198E+02 8.81180204E+02 2.32108730E+01 1.38862491E+02 7.75634299E+02 8.15396158E+02 8.09897953E+01 9.55669738E+02 9.00636559E+02 0.00000000E+00 1.41185717E+02 1.54263906E+02 1.29044835E+02 8.66911122E+02 1.13185062E+03 2.32899892E+01 1.25489661E+02 1.09570372E+02 1.01173582E+02 1.22913863E+02 2.14252117E+00 1.74198525E+01 1.11262422E+02 1.10338858E+02 9.23714573E+00 1.34516705E+02 1.23703833E+02 0.00000000E+00 1.78280753E+01 1.97659043E+01 1.60512210E+01 1.24325688E+02 1.63939471E+02 2.10929191E+01 2.54804909E+02 1.21899948E+03 1.07629402E+03 1.03157656E+03 1.22973599E+03 3.30984635E+01 1.94896900E+02 1.08079689E+03 1.13979741E+03 1.14243284E+02 1.33303578E+03 1.25793819E+03 0.00000000E+00 1.98088334E+02 2.16269171E+02 1.81199404E+02 1.20800124E+03 1.57633023E+03 2.29782888E+02 2.19459223E+03 %FLAG BONDS_INC_HYDROGEN %FORMAT(10I8) 3 6 3 3 9 3 0 3 3 39 42 6 39 45 6 30 33 6 30 36 6 24 27 9 18 21 12 93 96 3 93 99 3 93 102 3 81 84 3 81 87 3 81 90 3 75 78 14 69 72 9 63 66 12 159 162 17 159 165 17 159 168 17 150 153 18 150 156 18 141 144 20 141 147 20 132 135 20 132 138 20 123 126 20 123 129 20 117 120 9 111 114 12 213 216 12 213 219 12 198 201 6 198 204 6 189 192 6 189 195 6 183 186 9 177 180 12 267 270 3 267 273 3 267 276 3 255 258 3 255 261 3 255 264 3 249 252 14 240 243 6 240 246 6 234 237 9 228 231 12 306 309 6 306 312 6 297 300 6 297 303 6 291 294 9 285 288 12 342 345 3 342 348 3 342 351 3 336 339 9 330 333 12 381 384 6 381 387 6 372 375 6 372 378 6 366 369 9 360 363 12 435 438 3 435 441 3 435 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1014 9 1005 1008 12 1068 1071 6 1068 1074 6 1059 1062 6 1059 1065 6 1053 1056 9 1047 1050 12 1122 1125 3 1122 1128 3 1122 1131 3 1110 1113 3 1110 1116 3 1110 1119 3 1104 1107 14 1098 1101 9 1092 1095 12 1152 1155 3 1152 1158 3 1152 1161 3 1146 1149 9 1140 1143 12 1227 1230 49 1227 1233 49 1218 1221 49 1218 1224 49 1209 1212 49 1200 1203 51 1200 1206 51 1191 1194 20 1191 1197 20 1182 1185 20 1182 1188 20 1176 1179 9 1170 1173 12 1281 1284 3 1281 1287 3 1281 1290 3 1269 1272 3 1269 1275 3 1269 1278 3 1263 1266 14 1254 1257 6 1254 1260 6 1248 1251 9 1242 1245 12 1320 1323 6 1320 1326 6 1311 1314 6 1311 1317 6 1305 1308 9 1299 1302 12 1374 1377 53 1362 1365 55 1362 1368 55 1356 1359 57 1344 1347 12 1401 1404 6 1401 1407 6 1392 1395 6 1392 1398 6 1386 1389 9 1380 1383 12 1452 1455 12 1452 1458 12 1437 1440 6 1437 1443 6 1431 1434 9 1425 1428 12 1479 1482 3 1479 1485 3 1479 1488 3 1473 1476 9 1467 1470 12 1518 1521 6 1518 1524 6 1509 1512 6 1509 1515 6 1503 1506 9 1497 1500 12 1554 1557 27 1554 1560 27 1548 1551 9 1542 1545 12 1593 1596 6 1593 1599 6 1584 1587 6 1584 1590 6 1578 1581 9 1572 1575 12 1629 1632 3 1629 1635 3 1629 1638 3 1623 1626 9 1617 1620 12 1647 1650 12 1647 1653 12 1659 1662 3 1659 1665 3 1656 1659 3 1722 1725 17 1722 1728 17 1722 1731 17 1713 1716 18 1713 1719 18 1704 1707 20 1704 1710 20 1695 1698 20 1695 1701 20 1686 1689 20 1686 1692 20 1680 1683 9 1674 1677 12 1770 1773 3 1770 1776 3 1770 1779 3 1758 1761 3 1758 1764 3 1758 1767 3 1752 1755 14 1746 1749 9 1740 1743 12 1836 1839 17 1836 1842 17 1836 1845 17 1827 1830 18 1827 1833 18 1818 1821 20 1818 1824 20 1809 1812 20 1809 1815 20 1800 1803 20 1800 1806 20 1794 1797 9 1788 1791 12 1890 1893 12 1890 1896 12 1875 1878 6 1875 1881 6 1866 1869 6 1866 1872 6 1860 1863 9 1854 1857 12 1944 1947 3 1944 1950 3 1944 1953 3 1932 1935 3 1932 1938 3 1932 1941 3 1926 1929 14 1917 1920 6 1917 1923 6 1911 1914 9 1905 1908 12 2010 2013 17 2010 2016 17 2010 2019 17 2001 2004 18 2001 2007 18 1992 1995 20 1992 1998 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2451 20 2448 2454 20 2439 2442 20 2439 2445 20 2430 2433 20 2430 2436 20 2424 2427 9 2418 2421 12 2523 2526 3 2523 2529 3 2523 2532 3 2511 2514 3 2511 2517 3 2511 2520 3 2505 2508 14 2496 2499 6 2496 2502 6 2490 2493 9 2484 2487 12 2598 2601 29 2592 2595 29 2586 2589 29 2580 2583 29 2571 2574 34 2565 2568 36 2553 2556 3 2553 2559 3 2547 2550 9 2541 2544 12 2652 2655 41 2643 2646 43 2637 2640 34 2625 2628 3 2625 2631 3 2619 2622 9 2613 2616 12 2703 2706 3 2703 2709 3 2703 2712 3 2691 2694 3 2691 2697 3 2691 2700 3 2685 2688 14 2676 2679 6 2676 2682 6 2670 2673 9 2664 2667 12 2769 2772 17 2769 2775 17 2769 2778 17 2760 2763 18 2760 2766 18 2751 2754 20 2751 2757 20 2742 2745 20 2742 2748 20 2733 2736 20 2733 2739 20 2727 2730 9 2721 2724 12 2814 2817 12 2814 2820 12 2799 2802 6 2799 2805 6 2793 2796 9 2787 2790 12 2877 2880 17 2877 2883 17 2877 2886 17 2868 2871 18 2868 2874 18 2859 2862 20 2859 2865 20 2850 2853 20 2850 2856 20 2841 2844 20 2841 2847 20 2835 2838 9 2829 2832 12 2925 2928 3 2925 2931 3 2925 2934 3 2913 2916 3 2913 2919 3 2913 2922 3 2907 2910 14 2901 2904 9 2895 2898 12 2955 2958 3 2955 2961 3 2955 2964 3 2949 2952 9 2943 2946 12 3030 3033 49 3030 3036 49 3021 3024 49 3021 3027 49 3012 3015 49 3003 3006 51 3003 3009 51 2994 2997 20 2994 3000 20 2985 2988 20 2985 2991 20 2979 2982 9 2973 2976 12 3084 3087 3 3084 3090 3 3084 3093 3 3072 3075 3 3072 3078 3 3072 3081 3 3066 3069 14 3057 3060 6 3057 3063 6 3051 3054 9 3045 3048 12 3150 3153 17 3150 3156 17 3150 3159 17 3141 3144 18 3141 3147 18 3132 3135 20 3132 3138 20 3123 3126 20 3123 3129 20 3114 3117 20 3114 3120 20 3108 3111 9 3102 3105 12 3216 3219 17 3216 3222 17 3216 3225 17 3207 3210 18 3207 3213 18 3198 3201 20 3198 3204 20 3189 3192 20 3189 3195 20 3180 3183 20 3180 3186 20 3174 3177 9 3168 3171 12 3282 3285 17 3282 3288 17 3282 3291 17 3273 3276 18 3273 3279 18 3264 3267 20 3264 3270 20 3255 3258 20 3255 3261 20 3246 3249 20 3246 3252 20 3240 3243 9 3234 3237 12 3327 3330 12 3327 3333 12 3312 3315 6 3312 3318 6 3306 3309 9 3300 3303 12 3372 3375 53 3360 3363 55 3360 3366 55 3354 3357 57 3342 3345 12 3399 3402 6 3399 3405 6 3390 3393 6 3390 3396 6 3384 3387 9 3378 3381 12 3435 3438 27 3435 3441 27 3429 3432 9 3423 3426 12 3501 3504 17 3501 3507 17 3501 3510 17 3492 3495 18 3492 3498 18 3483 3486 20 3483 3489 20 3474 3477 20 3474 3480 20 3465 3468 20 3465 3471 20 3459 3462 9 3453 3456 12 3531 3534 3 3531 3537 3 3531 3540 3 3525 3528 9 3519 3522 12 3549 3552 12 3549 3555 12 %FLAG BONDS_WITHOUT_HYDROGEN %FORMAT(10I8) 12 15 1 12 18 2 3 12 4 57 60 1 57 63 2 48 51 5 48 54 5 39 48 7 30 39 8 24 30 10 24 57 11 18 24 13 105 108 1 105 111 2 75 81 15 75 93 15 69 75 16 69 105 11 63 69 13 171 174 1 171 177 2 150 159 19 141 150 21 132 141 21 123 132 21 117 123 22 117 171 11 111 117 13 222 225 1 222 228 2 207 210 1 207 213 2 198 207 23 189 198 8 183 189 10 183 222 11 177 183 13 279 282 1 279 285 2 249 255 15 249 267 15 240 249 24 234 240 10 234 279 11 228 234 13 324 327 1 324 330 2 315 318 5 315 321 5 306 315 7 297 306 8 291 297 10 291 324 11 285 291 13 354 357 1 354 360 2 336 342 25 336 354 11 330 336 13 399 402 1 399 405 2 390 393 5 390 396 5 381 390 7 372 381 8 366 372 10 366 399 11 360 366 13 447 450 1 447 453 2 417 423 15 417 435 15 411 417 16 411 447 11 405 411 13 492 495 1 492 498 2 483 486 5 483 489 5 474 483 7 465 474 8 459 465 10 459 492 11 453 459 13 537 540 1 537 543 2 528 531 5 528 534 5 519 528 7 510 519 8 504 510 10 504 537 11 498 504 13 594 597 1 594 600 2 564 570 15 564 582 15 555 564 24 549 555 10 549 594 11 543 549 13 639 642 1 639 645 2 630 633 5 630 636 5 621 630 7 612 621 8 606 612 10 606 639 11 600 606 13 672 675 1 672 678 2 657 666 28 651 657 10 651 672 11 645 651 13 717 720 1 717 723 2 708 711 5 708 714 5 699 708 7 690 699 8 684 690 10 684 717 11 678 684 13 774 777 1 774 780 2 744 750 15 744 762 15 735 744 24 729 735 10 729 774 11 723 729 13 846 849 1 846 852 2 837 843 30 831 837 31 825 831 31 819 825 31 816 819 32 816 843 33 810 816 35 804 810 37 801 804 38 801 843 39 792 801 40 786 792 25 786 846 11 780 786 13 897 900 1 897 903 2 888 891 42 882 888 44 876 882 45 873 876 46 873 891 47 864 873 48 858 864 25 858 897 11 852 858 13 954 957 1 954 960 2 924 930 15 924 942 15 915 924 24 909 915 10 909 954 11 903 909 13 999 1002 1 999 1005 2 990 993 5 990 996 5 981 990 7 972 981 8 966 972 10 966 999 11 960 966 13 1041 1044 1 1041 1047 2 1026 1029 1 1026 1032 2 1017 1026 23 1011 1017 10 1011 1041 11 1005 1011 13 1086 1089 1 1086 1092 2 1077 1080 5 1077 1083 5 1068 1077 7 1059 1068 8 1053 1059 10 1053 1086 11 1047 1053 13 1134 1137 1 1134 1140 2 1104 1110 15 1104 1122 15 1098 1104 16 1098 1134 11 1092 1098 13 1164 1167 1 1164 1170 2 1146 1152 25 1146 1164 11 1140 1146 13 1236 1239 1 1236 1242 2 1215 1218 50 1215 1227 50 1209 1215 50 1200 1209 52 1191 1200 21 1182 1191 21 1176 1182 22 1176 1236 11 1170 1176 13 1293 1296 1 1293 1299 2 1263 1269 15 1263 1281 15 1254 1263 24 1248 1254 10 1248 1293 11 1242 1248 13 1338 1341 1 1338 1344 2 1329 1332 5 1329 1335 5 1320 1329 7 1311 1320 8 1305 1311 10 1305 1338 11 1299 1305 13 1371 1374 54 1362 1371 56 1356 1362 58 1350 1353 1 1350 1356 59 1350 1380 2 1344 1356 60 1419 1422 1 1419 1425 2 1410 1413 5 1410 1416 5 1401 1410 7 1392 1401 8 1386 1392 10 1386 1419 11 1380 1386 13 1461 1464 1 1461 1467 2 1446 1449 1 1446 1452 2 1437 1446 23 1431 1437 10 1431 1461 11 1425 1431 13 1491 1494 1 1491 1497 2 1473 1479 25 1473 1491 11 1467 1473 13 1536 1539 1 1536 1542 2 1527 1530 5 1527 1533 5 1518 1527 7 1509 1518 8 1503 1509 10 1503 1536 11 1497 1503 13 1566 1569 1 1566 1572 2 1563 3444 61 1554 1563 62 1548 1554 10 1548 1566 11 1542 1548 13 1611 1614 1 1611 1617 2 1602 1605 5 1602 1608 5 1593 1602 7 1584 1593 8 1578 1584 10 1578 1611 11 1572 1578 13 1641 1644 1 1641 1647 2 1623 1629 25 1623 1641 11 1617 1623 13 1668 1671 1 1668 1674 2 1659 1668 4 1734 1737 1 1734 1740 2 1713 1722 19 1704 1713 21 1695 1704 21 1686 1695 21 1680 1686 22 1680 1734 11 1674 1680 13 1782 1785 1 1782 1788 2 1752 1758 15 1752 1770 15 1746 1752 16 1746 1782 11 1740 1746 13 1848 1851 1 1848 1854 2 1827 1836 19 1818 1827 21 1809 1818 21 1800 1809 21 1794 1800 22 1794 1848 11 1788 1794 13 1899 1902 1 1899 1905 2 1884 1887 1 1884 1890 2 1875 1884 23 1866 1875 8 1860 1866 10 1860 1899 11 1854 1860 13 1956 1959 1 1956 1962 2 1926 1932 15 1926 1944 15 1917 1926 24 1911 1917 10 1911 1956 11 1905 1911 13 2022 2025 1 2022 2028 2 2001 2010 19 1992 2001 21 1983 1992 21 1974 1983 21 1968 1974 22 1968 2022 11 1962 1968 13 2052 2055 1 2052 2058 2 2034 2040 25 2034 2052 11 2028 2034 13 2118 2121 1 2118 2124 2 2097 2106 19 2088 2097 21 2079 2088 21 2070 2079 21 2064 2070 22 2064 2118 11 2058 2064 13 2166 2169 1 2166 2172 2 2136 2142 15 2136 2154 15 2130 2136 16 2130 2166 11 2124 2130 13 2211 2214 1 2211 2217 2 2202 2205 5 2202 2208 5 2193 2202 7 2184 2193 8 2178 2184 10 2178 2211 11 2172 2178 13 2256 2259 1 2256 2262 2 2247 2250 5 2247 2253 5 2238 2247 7 2229 2238 8 2223 2229 10 2223 2256 11 2217 2223 13 2313 2316 1 2313 2319 2 2283 2289 15 2283 2301 15 2274 2283 24 2268 2274 10 2268 2313 11 2262 2268 13 2379 2382 1 2379 2385 2 2358 2367 19 2349 2358 21 2340 2349 21 2331 2340 21 2325 2331 22 2325 2379 11 2319 2325 13 2412 2415 1 2412 2418 2 2397 2406 28 2391 2397 10 2391 2412 11 2385 2391 13 2478 2481 1 2478 2484 2 2457 2466 19 2448 2457 21 2439 2448 21 2430 2439 21 2424 2430 22 2424 2478 11 2418 2424 13 2535 2538 1 2535 2541 2 2505 2511 15 2505 2523 15 2496 2505 24 2490 2496 10 2490 2535 11 2484 2490 13 2607 2610 1 2607 2613 2 2598 2604 30 2592 2598 31 2586 2592 31 2580 2586 31 2577 2580 32 2577 2604 33 2571 2577 35 2565 2571 37 2562 2565 38 2562 2604 39 2553 2562 40 2547 2553 25 2547 2607 11 2541 2547 13 2658 2661 1 2658 2664 2 2649 2652 42 2643 2649 44 2637 2643 45 2634 2637 46 2634 2652 47 2625 2634 48 2619 2625 25 2619 2658 11 2613 2619 13 2715 2718 1 2715 2721 2 2685 2691 15 2685 2703 15 2676 2685 24 2670 2676 10 2670 2715 11 2664 2670 13 2781 2784 1 2781 2787 2 2760 2769 19 2751 2760 21 2742 2751 21 2733 2742 21 2727 2733 22 2727 2781 11 2721 2727 13 2823 2826 1 2823 2829 2 2808 2811 1 2808 2814 2 2799 2808 23 2793 2799 10 2793 2823 11 2787 2793 13 2889 2892 1 2889 2895 2 2868 2877 19 2859 2868 21 2850 2859 21 2841 2850 21 2835 2841 22 2835 2889 11 2829 2835 13 2937 2940 1 2937 2943 2 2907 2913 15 2907 2925 15 2901 2907 16 2901 2937 11 2895 2901 13 2967 2970 1 2967 2973 2 2949 2955 25 2949 2967 11 2943 2949 13 3039 3042 1 3039 3045 2 3018 3021 50 3018 3030 50 3012 3018 50 3003 3012 52 2994 3003 21 2985 2994 21 2979 2985 22 2979 3039 11 2973 2979 13 3096 3099 1 3096 3102 2 3066 3072 15 3066 3084 15 3057 3066 24 3051 3057 10 3051 3096 11 3045 3051 13 3162 3165 1 3162 3168 2 3141 3150 19 3132 3141 21 3123 3132 21 3114 3123 21 3108 3114 22 3108 3162 11 3102 3108 13 3228 3231 1 3228 3234 2 3207 3216 19 3198 3207 21 3189 3198 21 3180 3189 21 3174 3180 22 3174 3228 11 3168 3174 13 3294 3297 1 3294 3300 2 3273 3282 19 3264 3273 21 3255 3264 21 3246 3255 21 3240 3246 22 3240 3294 11 3234 3240 13 3336 3339 1 3336 3342 2 3321 3324 1 3321 3327 2 3312 3321 23 3306 3312 10 3306 3336 11 3300 3306 13 3369 3372 54 3360 3369 56 3354 3360 58 3348 3351 1 3348 3354 59 3348 3378 2 3342 3354 60 3417 3420 1 3417 3423 2 3408 3411 5 3408 3414 5 3399 3408 7 3390 3399 8 3384 3390 10 3384 3417 11 3378 3384 13 3447 3450 1 3447 3453 2 3435 3444 62 3429 3435 10 3429 3447 11 3423 3429 13 3513 3516 1 3513 3519 2 3492 3501 19 3483 3492 21 3474 3483 21 3465 3474 21 3459 3465 22 3459 3513 11 3453 3459 13 3543 3546 1 3543 3549 2 3525 3531 25 3525 3543 11 3519 3525 13 %FLAG ANGLES_INC_HYDROGEN %FORMAT(10I8) 12 18 21 2 9 3 12 4 6 3 9 5 6 3 12 4 0 3 6 5 0 3 9 5 0 3 12 4 57 63 66 2 45 39 48 9 42 39 45 10 42 39 48 9 36 30 39 12 33 30 36 10 33 30 39 12 30 39 42 12 30 39 45 12 27 24 30 15 27 24 57 16 24 30 33 17 24 30 36 17 21 18 24 21 18 24 27 22 105 111 114 2 99 93 102 5 96 93 99 5 96 93 102 5 87 81 90 5 84 81 87 5 84 81 90 5 78 75 81 26 78 75 93 26 75 81 84 28 75 81 87 28 75 81 90 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2592 2595 66 2583 2580 2586 66 2580 2586 2589 66 2577 2580 2583 70 2574 2571 2577 73 2568 2565 2571 76 2565 2571 2574 78 2562 2565 2568 80 2559 2553 2562 84 2556 2553 2559 5 2556 2553 2562 84 2550 2547 2553 57 2550 2547 2607 16 2547 2553 2556 58 2547 2553 2559 58 2544 2541 2547 21 2541 2547 2550 22 2658 2664 2667 2 2649 2652 2655 88 2646 2643 2649 89 2640 2637 2643 91 2637 2643 2646 93 2634 2637 2640 95 2634 2652 2655 98 2631 2625 2634 99 2628 2625 2631 5 2628 2625 2634 99 2622 2619 2625 57 2622 2619 2658 16 2619 2625 2628 58 2619 2625 2631 58 2616 2613 2619 21 2613 2619 2622 22 2715 2721 2724 2 2709 2703 2712 5 2706 2703 2709 5 2706 2703 2712 5 2697 2691 2700 5 2694 2691 2697 5 2694 2691 2700 5 2688 2685 2691 26 2688 2685 2703 26 2685 2691 2694 28 2685 2691 2697 28 2685 2691 2700 28 2685 2703 2706 28 2685 2703 2709 28 2685 2703 2712 28 2682 2676 2685 52 2679 2676 2682 10 2679 2676 2685 52 2676 2685 2688 53 2673 2670 2676 15 2673 2670 2715 16 2670 2676 2679 17 2670 2676 2682 17 2667 2664 2670 21 2664 2670 2673 22 2781 2787 2790 2 2775 2769 2778 33 2772 2769 2775 33 2772 2769 2778 33 2766 2760 2769 34 2763 2760 2766 35 2763 2760 2769 34 2760 2769 2772 36 2760 2769 2775 36 2760 2769 2778 36 2757 2751 2760 37 2754 2751 2757 38 2754 2751 2760 37 2751 2760 2763 39 2751 2760 2766 39 2748 2742 2751 37 2745 2742 2748 38 2745 2742 2751 37 2742 2751 2754 37 2742 2751 2757 37 2739 2733 2742 37 2736 2733 2739 38 2736 2733 2742 37 2733 2742 2745 37 2733 2742 2748 37 2730 2727 2733 43 2730 2727 2781 16 2727 2733 2736 44 2727 2733 2739 44 2724 2721 2727 21 2721 2727 2730 22 2823 2829 2832 2 2817 2814 2820 47 2808 2814 2817 2 2808 2814 2820 2 2805 2799 2808 48 2802 2799 2805 10 2802 2799 2808 48 2796 2793 2799 15 2796 2793 2823 16 2793 2799 2802 17 2793 2799 2805 17 2790 2787 2793 21 2787 2793 2796 22 2889 2895 2898 2 2883 2877 2886 33 2880 2877 2883 33 2880 2877 2886 33 2874 2868 2877 34 2871 2868 2874 35 2871 2868 2877 34 2868 2877 2880 36 2868 2877 2883 36 2868 2877 2886 36 2865 2859 2868 37 2862 2859 2865 38 2862 2859 2868 37 2859 2868 2871 39 2859 2868 2874 39 2856 2850 2859 37 2853 2850 2856 38 2853 2850 2859 37 2850 2859 2862 37 2850 2859 2865 37 2847 2841 2850 37 2844 2841 2847 38 2844 2841 2850 37 2841 2850 2853 37 2841 2850 2856 37 2838 2835 2841 43 2838 2835 2889 16 2835 2841 2844 44 2835 2841 2847 44 2832 2829 2835 21 2829 2835 2838 22 2937 2943 2946 2 2931 2925 2934 5 2928 2925 2931 5 2928 2925 2934 5 2919 2913 2922 5 2916 2913 2919 5 2916 2913 2922 5 2910 2907 2913 26 2910 2907 2925 26 2907 2913 2916 28 2907 2913 2919 28 2907 2913 2922 28 2907 2925 2928 28 2907 2925 2931 28 2907 2925 2934 28 2904 2901 2907 29 2904 2901 2937 16 2901 2907 2910 30 2898 2895 2901 21 2895 2901 2904 22 2967 2973 2976 2 2961 2955 2964 5 2958 2955 2961 5 2958 2955 2964 5 2952 2949 2955 57 2952 2949 2967 16 2949 2955 2958 58 2949 2955 2961 58 2949 2955 2964 58 2946 2943 2949 21 2943 2949 2952 22 3039 3045 3048 2 3033 3030 3036 104 3024 3021 3027 104 3018 3021 3024 106 3018 3021 3027 106 3018 3030 3033 106 3018 3030 3036 106 3015 3012 3018 106 3009 3003 3012 107 3006 3003 3009 108 3006 3003 3012 107 3003 3012 3015 109 3000 2994 3003 37 2997 2994 3000 38 2997 2994 3003 37 2994 3003 3006 111 2994 3003 3009 111 2991 2985 2994 37 2988 2985 2991 38 2988 2985 2994 37 2985 2994 2997 37 2985 2994 3000 37 2982 2979 2985 43 2982 2979 3039 16 2979 2985 2988 44 2979 2985 2991 44 2976 2973 2979 21 2973 2979 2982 22 3096 3102 3105 2 3090 3084 3093 5 3087 3084 3090 5 3087 3084 3093 5 3078 3072 3081 5 3075 3072 3078 5 3075 3072 3081 5 3069 3066 3072 26 3069 3066 3084 26 3066 3072 3075 28 3066 3072 3078 28 3066 3072 3081 28 3066 3084 3087 28 3066 3084 3090 28 3066 3084 3093 28 3063 3057 3066 52 3060 3057 3063 10 3060 3057 3066 52 3057 3066 3069 53 3054 3051 3057 15 3054 3051 3096 16 3051 3057 3060 17 3051 3057 3063 17 3048 3045 3051 21 3045 3051 3054 22 3162 3168 3171 2 3156 3150 3159 33 3153 3150 3156 33 3153 3150 3159 33 3147 3141 3150 34 3144 3141 3147 35 3144 3141 3150 34 3141 3150 3153 36 3141 3150 3156 36 3141 3150 3159 36 3138 3132 3141 37 3135 3132 3138 38 3135 3132 3141 37 3132 3141 3144 39 3132 3141 3147 39 3129 3123 3132 37 3126 3123 3129 38 3126 3123 3132 37 3123 3132 3135 37 3123 3132 3138 37 3120 3114 3123 37 3117 3114 3120 38 3117 3114 3123 37 3114 3123 3126 37 3114 3123 3129 37 3111 3108 3114 43 3111 3108 3162 16 3108 3114 3117 44 3108 3114 3120 44 3105 3102 3108 21 3102 3108 3111 22 3228 3234 3237 2 3222 3216 3225 33 3219 3216 3222 33 3219 3216 3225 33 3213 3207 3216 34 3210 3207 3213 35 3210 3207 3216 34 3207 3216 3219 36 3207 3216 3222 36 3207 3216 3225 36 3204 3198 3207 37 3201 3198 3204 38 3201 3198 3207 37 3198 3207 3210 39 3198 3207 3213 39 3195 3189 3198 37 3192 3189 3195 38 3192 3189 3198 37 3189 3198 3201 37 3189 3198 3204 37 3186 3180 3189 37 3183 3180 3186 38 3183 3180 3189 37 3180 3189 3192 37 3180 3189 3195 37 3177 3174 3180 43 3177 3174 3228 16 3174 3180 3183 44 3174 3180 3186 44 3171 3168 3174 21 3168 3174 3177 22 3294 3300 3303 2 3288 3282 3291 33 3285 3282 3288 33 3285 3282 3291 33 3279 3273 3282 34 3276 3273 3279 35 3276 3273 3282 34 3273 3282 3285 36 3273 3282 3288 36 3273 3282 3291 36 3270 3264 3273 37 3267 3264 3270 38 3267 3264 3273 37 3264 3273 3276 39 3264 3273 3279 39 3261 3255 3264 37 3258 3255 3261 38 3258 3255 3264 37 3255 3264 3267 37 3255 3264 3270 37 3252 3246 3255 37 3249 3246 3252 38 3249 3246 3255 37 3246 3255 3258 37 3246 3255 3261 37 3243 3240 3246 43 3243 3240 3294 16 3240 3246 3249 44 3240 3246 3252 44 3237 3234 3240 21 3234 3240 3243 22 3336 3342 3345 2 3330 3327 3333 47 3321 3327 3330 2 3321 3327 3333 2 3318 3312 3321 48 3315 3312 3318 10 3315 3312 3321 48 3309 3306 3312 15 3309 3306 3336 16 3306 3312 3315 17 3306 3312 3318 17 3303 3300 3306 21 3300 3306 3309 22 3369 3372 3375 114 3366 3360 3369 115 3363 3360 3366 116 3363 3360 3369 115 3357 3354 3360 118 3354 3360 3363 120 3354 3360 3366 120 3348 3354 3357 123 3348 3378 3381 2 3345 3342 3354 125 3342 3354 3357 127 3417 3423 3426 2 3405 3399 3408 9 3402 3399 3405 10 3402 3399 3408 9 3396 3390 3399 12 3393 3390 3396 10 3393 3390 3399 12 3390 3399 3402 12 3390 3399 3405 12 3387 3384 3390 15 3387 3384 3417 16 3384 3390 3393 17 3384 3390 3396 17 3381 3378 3384 21 3378 3384 3387 22 3447 3453 3456 2 3441 3435 3444 130 3438 3435 3441 61 3438 3435 3444 130 3432 3429 3435 15 3432 3429 3447 16 3429 3435 3438 63 3429 3435 3441 63 3426 3423 3429 21 3423 3429 3432 22 3513 3519 3522 2 3507 3501 3510 33 3504 3501 3507 33 3504 3501 3510 33 3498 3492 3501 34 3495 3492 3498 35 3495 3492 3501 34 3492 3501 3504 36 3492 3501 3507 36 3492 3501 3510 36 3489 3483 3492 37 3486 3483 3489 38 3486 3483 3492 37 3483 3492 3495 39 3483 3492 3498 39 3480 3474 3483 37 3477 3474 3480 38 3477 3474 3483 37 3474 3483 3486 37 3474 3483 3489 37 3471 3465 3474 37 3468 3465 3471 38 3468 3465 3474 37 3465 3474 3477 37 3465 3474 3480 37 3462 3459 3465 43 3462 3459 3513 16 3459 3465 3468 44 3459 3465 3471 44 3456 3453 3459 21 3453 3459 3462 22 3543 3549 3552 2 3543 3549 3555 2 3537 3531 3540 5 3534 3531 3537 5 3534 3531 3540 5 3528 3525 3531 57 3528 3525 3543 16 3525 3531 3534 58 3525 3531 3537 58 3525 3531 3540 58 3522 3519 3525 21 3519 3525 3528 22 3552 3549 3555 47 %FLAG ANGLES_WITHOUT_HYDROGEN %FORMAT(10I8) 15 12 18 1 12 18 24 3 3 12 15 6 3 12 18 7 60 57 63 1 57 63 69 3 51 48 54 8 39 48 51 11 39 48 54 11 30 24 57 13 30 39 48 14 24 30 39 18 24 57 60 19 24 57 63 20 18 24 30 23 18 24 57 24 108 105 111 1 105 111 117 3 81 75 93 25 75 69 105 27 69 75 81 31 69 75 93 31 69 105 108 19 69 105 111 20 63 69 75 32 63 69 105 24 174 171 177 1 171 177 183 3 141 150 159 40 132 141 150 41 123 117 171 42 123 132 141 41 117 123 132 45 117 171 174 19 117 171 177 20 111 117 123 46 111 117 171 24 225 222 228 1 222 228 234 3 210 207 213 1 198 207 210 49 198 207 213 50 189 183 222 13 189 198 207 51 183 189 198 18 183 222 225 19 183 222 228 20 177 183 189 23 177 183 222 24 282 279 285 1 279 285 291 3 255 249 267 25 240 234 279 13 240 249 255 54 240 249 267 54 234 240 249 55 234 279 282 19 234 279 285 20 228 234 240 23 228 234 279 24 327 324 330 1 324 330 336 3 318 315 321 8 306 315 318 11 306 315 321 11 297 291 324 13 297 306 315 14 291 297 306 18 291 324 327 19 291 324 330 20 285 291 297 23 285 291 324 24 357 354 360 1 354 360 366 3 342 336 354 56 336 354 357 19 336 354 360 20 330 336 342 59 330 336 354 24 402 399 405 1 399 405 411 3 393 390 396 8 381 390 393 11 381 390 396 11 372 366 399 13 372 381 390 14 366 372 381 18 366 399 402 19 366 399 405 20 360 366 372 23 360 366 399 24 450 447 453 1 447 453 459 3 423 417 435 25 417 411 447 27 411 417 423 31 411 417 435 31 411 447 450 19 411 447 453 20 405 411 417 32 405 411 447 24 495 492 498 1 492 498 504 3 486 483 489 8 474 483 486 11 474 483 489 11 465 459 492 13 465 474 483 14 459 465 474 18 459 492 495 19 459 492 498 20 453 459 465 23 453 459 492 24 540 537 543 1 537 543 549 3 531 528 534 8 519 528 531 11 519 528 534 11 510 504 537 13 510 519 528 14 504 510 519 18 504 537 540 19 504 537 543 20 498 504 510 23 498 504 537 24 597 594 600 1 594 600 606 3 570 564 582 25 555 549 594 13 555 564 570 54 555 564 582 54 549 555 564 55 549 594 597 19 549 594 600 20 543 549 555 23 543 549 594 24 642 639 645 1 639 645 651 3 633 630 636 8 621 630 633 11 621 630 636 11 612 606 639 13 612 621 630 14 606 612 621 18 606 639 642 19 606 639 645 20 600 606 612 23 600 606 639 24 675 672 678 1 672 678 684 3 657 651 672 13 651 657 666 64 651 672 675 19 651 672 678 20 645 651 657 23 645 651 672 24 720 717 723 1 717 723 729 3 711 708 714 8 699 708 711 11 699 708 714 11 690 684 717 13 690 699 708 14 684 690 699 18 684 717 720 19 684 717 723 20 678 684 690 23 678 684 717 24 777 774 780 1 774 780 786 3 750 744 762 25 735 729 774 13 735 744 750 54 735 744 762 54 729 735 744 55 729 774 777 19 729 774 780 20 723 729 735 23 723 729 774 24 849 846 852 1 846 852 858 3 831 837 843 67 825 831 837 68 819 816 843 69 819 825 831 68 816 819 825 71 816 843 837 72 810 816 819 74 810 816 843 75 804 801 843 77 804 810 816 79 801 804 810 81 801 843 816 82 801 843 837 83 792 786 846 56 792 801 804 85 792 801 843 86 786 792 801 87 786 846 849 19 786 846 852 20 780 786 792 59 780 786 846 24 900 897 903 1 897 903 909 3 882 888 891 90 876 873 891 92 876 882 888 94 873 876 882 96 873 891 888 97 864 858 897 56 864 873 876 100 864 873 891 101 858 864 873 102 858 897 900 19 858 897 903 20 852 858 864 59 852 858 897 24 957 954 960 1 954 960 966 3 930 924 942 25 915 909 954 13 915 924 930 54 915 924 942 54 909 915 924 55 909 954 957 19 909 954 960 20 903 909 915 23 903 909 954 24 1002 999 1005 1 999 1005 1011 3 993 990 996 8 981 990 993 11 981 990 996 11 972 966 999 13 972 981 990 14 966 972 981 18 966 999 1002 19 966 999 1005 20 960 966 972 23 960 966 999 24 1044 1041 1047 1 1041 1047 1053 3 1029 1026 1032 1 1017 1011 1041 13 1017 1026 1029 49 1017 1026 1032 50 1011 1017 1026 103 1011 1041 1044 19 1011 1041 1047 20 1005 1011 1017 23 1005 1011 1041 24 1089 1086 1092 1 1086 1092 1098 3 1080 1077 1083 8 1068 1077 1080 11 1068 1077 1083 11 1059 1053 1086 13 1059 1068 1077 14 1053 1059 1068 18 1053 1086 1089 19 1053 1086 1092 20 1047 1053 1059 23 1047 1053 1086 24 1137 1134 1140 1 1134 1140 1146 3 1110 1104 1122 25 1104 1098 1134 27 1098 1104 1110 31 1098 1104 1122 31 1098 1134 1137 19 1098 1134 1140 20 1092 1098 1104 32 1092 1098 1134 24 1167 1164 1170 1 1164 1170 1176 3 1152 1146 1164 56 1146 1164 1167 19 1146 1164 1170 20 1140 1146 1152 59 1140 1146 1164 24 1239 1236 1242 1 1236 1242 1248 3 1218 1215 1227 105 1209 1215 1218 105 1209 1215 1227 105 1200 1209 1215 110 1191 1200 1209 112 1182 1176 1236 42 1182 1191 1200 41 1176 1182 1191 45 1176 1236 1239 19 1176 1236 1242 20 1170 1176 1182 46 1170 1176 1236 24 1296 1293 1299 1 1293 1299 1305 3 1269 1263 1281 25 1254 1248 1293 13 1254 1263 1269 54 1254 1263 1281 54 1248 1254 1263 55 1248 1293 1296 19 1248 1293 1299 20 1242 1248 1254 23 1242 1248 1293 24 1341 1338 1344 1 1338 1344 1356 113 1332 1329 1335 8 1320 1329 1332 11 1320 1329 1335 11 1311 1305 1338 13 1311 1320 1329 14 1305 1311 1320 18 1305 1338 1341 19 1305 1338 1344 20 1299 1305 1311 23 1299 1305 1338 24 1362 1371 1374 117 1356 1350 1380 119 1356 1362 1371 121 1353 1350 1356 122 1353 1350 1380 1 1350 1356 1362 124 1350 1380 1386 3 1344 1356 1350 126 1344 1356 1362 128 1422 1419 1425 1 1419 1425 1431 3 1413 1410 1416 8 1401 1410 1413 11 1401 1410 1416 11 1392 1386 1419 13 1392 1401 1410 14 1386 1392 1401 18 1386 1419 1422 19 1386 1419 1425 20 1380 1386 1392 23 1380 1386 1419 24 1464 1461 1467 1 1461 1467 1473 3 1449 1446 1452 1 1437 1431 1461 13 1437 1446 1449 49 1437 1446 1452 50 1431 1437 1446 103 1431 1461 1464 19 1431 1461 1467 20 1425 1431 1437 23 1425 1431 1461 24 1494 1491 1497 1 1491 1497 1503 3 1479 1473 1491 56 1473 1491 1494 19 1473 1491 1497 20 1467 1473 1479 59 1467 1473 1491 24 1539 1536 1542 1 1536 1542 1548 3 1530 1527 1533 8 1518 1527 1530 11 1518 1527 1533 11 1509 1503 1536 13 1509 1518 1527 14 1503 1509 1518 18 1503 1536 1539 19 1503 1536 1542 20 1497 1503 1509 23 1497 1503 1536 24 1569 1566 1572 1 1566 1572 1578 3 1563 3444 3435 129 1554 1548 1566 13 1554 1563 3444 129 1548 1554 1563 131 1548 1566 1569 19 1548 1566 1572 20 1542 1548 1554 23 1542 1548 1566 24 1614 1611 1617 1 1611 1617 1623 3 1605 1602 1608 8 1593 1602 1605 11 1593 1602 1608 11 1584 1578 1611 13 1584 1593 1602 14 1578 1584 1593 18 1578 1611 1614 19 1578 1611 1617 20 1572 1578 1584 23 1572 1578 1611 24 1644 1641 1647 1 1629 1623 1641 56 1623 1641 1644 19 1623 1641 1647 20 1617 1623 1629 59 1617 1623 1641 24 1671 1668 1674 1 1668 1674 1680 3 1659 1668 1671 6 1659 1668 1674 7 1737 1734 1740 1 1734 1740 1746 3 1704 1713 1722 40 1695 1704 1713 41 1686 1680 1734 42 1686 1695 1704 41 1680 1686 1695 45 1680 1734 1737 19 1680 1734 1740 20 1674 1680 1686 46 1674 1680 1734 24 1785 1782 1788 1 1782 1788 1794 3 1758 1752 1770 25 1752 1746 1782 27 1746 1752 1758 31 1746 1752 1770 31 1746 1782 1785 19 1746 1782 1788 20 1740 1746 1752 32 1740 1746 1782 24 1851 1848 1854 1 1848 1854 1860 3 1818 1827 1836 40 1809 1818 1827 41 1800 1794 1848 42 1800 1809 1818 41 1794 1800 1809 45 1794 1848 1851 19 1794 1848 1854 20 1788 1794 1800 46 1788 1794 1848 24 1902 1899 1905 1 1899 1905 1911 3 1887 1884 1890 1 1875 1884 1887 49 1875 1884 1890 50 1866 1860 1899 13 1866 1875 1884 51 1860 1866 1875 18 1860 1899 1902 19 1860 1899 1905 20 1854 1860 1866 23 1854 1860 1899 24 1959 1956 1962 1 1956 1962 1968 3 1932 1926 1944 25 1917 1911 1956 13 1917 1926 1932 54 1917 1926 1944 54 1911 1917 1926 55 1911 1956 1959 19 1911 1956 1962 20 1905 1911 1917 23 1905 1911 1956 24 2025 2022 2028 1 2022 2028 2034 3 1992 2001 2010 40 1983 1992 2001 41 1974 1968 2022 42 1974 1983 1992 41 1968 1974 1983 45 1968 2022 2025 19 1968 2022 2028 20 1962 1968 1974 46 1962 1968 2022 24 2055 2052 2058 1 2052 2058 2064 3 2040 2034 2052 56 2034 2052 2055 19 2034 2052 2058 20 2028 2034 2040 59 2028 2034 2052 24 2121 2118 2124 1 2118 2124 2130 3 2088 2097 2106 40 2079 2088 2097 41 2070 2064 2118 42 2070 2079 2088 41 2064 2070 2079 45 2064 2118 2121 19 2064 2118 2124 20 2058 2064 2070 46 2058 2064 2118 24 2169 2166 2172 1 2166 2172 2178 3 2142 2136 2154 25 2136 2130 2166 27 2130 2136 2142 31 2130 2136 2154 31 2130 2166 2169 19 2130 2166 2172 20 2124 2130 2136 32 2124 2130 2166 24 2214 2211 2217 1 2211 2217 2223 3 2205 2202 2208 8 2193 2202 2205 11 2193 2202 2208 11 2184 2178 2211 13 2184 2193 2202 14 2178 2184 2193 18 2178 2211 2214 19 2178 2211 2217 20 2172 2178 2184 23 2172 2178 2211 24 2259 2256 2262 1 2256 2262 2268 3 2250 2247 2253 8 2238 2247 2250 11 2238 2247 2253 11 2229 2223 2256 13 2229 2238 2247 14 2223 2229 2238 18 2223 2256 2259 19 2223 2256 2262 20 2217 2223 2229 23 2217 2223 2256 24 2316 2313 2319 1 2313 2319 2325 3 2289 2283 2301 25 2274 2268 2313 13 2274 2283 2289 54 2274 2283 2301 54 2268 2274 2283 55 2268 2313 2316 19 2268 2313 2319 20 2262 2268 2274 23 2262 2268 2313 24 2382 2379 2385 1 2379 2385 2391 3 2349 2358 2367 40 2340 2349 2358 41 2331 2325 2379 42 2331 2340 2349 41 2325 2331 2340 45 2325 2379 2382 19 2325 2379 2385 20 2319 2325 2331 46 2319 2325 2379 24 2415 2412 2418 1 2412 2418 2424 3 2397 2391 2412 13 2391 2397 2406 64 2391 2412 2415 19 2391 2412 2418 20 2385 2391 2397 23 2385 2391 2412 24 2481 2478 2484 1 2478 2484 2490 3 2448 2457 2466 40 2439 2448 2457 41 2430 2424 2478 42 2430 2439 2448 41 2424 2430 2439 45 2424 2478 2481 19 2424 2478 2484 20 2418 2424 2430 46 2418 2424 2478 24 2538 2535 2541 1 2535 2541 2547 3 2511 2505 2523 25 2496 2490 2535 13 2496 2505 2511 54 2496 2505 2523 54 2490 2496 2505 55 2490 2535 2538 19 2490 2535 2541 20 2484 2490 2496 23 2484 2490 2535 24 2610 2607 2613 1 2607 2613 2619 3 2592 2598 2604 67 2586 2592 2598 68 2580 2577 2604 69 2580 2586 2592 68 2577 2580 2586 71 2577 2604 2598 72 2571 2577 2580 74 2571 2577 2604 75 2565 2562 2604 77 2565 2571 2577 79 2562 2565 2571 81 2562 2604 2577 82 2562 2604 2598 83 2553 2547 2607 56 2553 2562 2565 85 2553 2562 2604 86 2547 2553 2562 87 2547 2607 2610 19 2547 2607 2613 20 2541 2547 2553 59 2541 2547 2607 24 2661 2658 2664 1 2658 2664 2670 3 2643 2649 2652 90 2637 2634 2652 92 2637 2643 2649 94 2634 2637 2643 96 2634 2652 2649 97 2625 2619 2658 56 2625 2634 2637 100 2625 2634 2652 101 2619 2625 2634 102 2619 2658 2661 19 2619 2658 2664 20 2613 2619 2625 59 2613 2619 2658 24 2718 2715 2721 1 2715 2721 2727 3 2691 2685 2703 25 2676 2670 2715 13 2676 2685 2691 54 2676 2685 2703 54 2670 2676 2685 55 2670 2715 2718 19 2670 2715 2721 20 2664 2670 2676 23 2664 2670 2715 24 2784 2781 2787 1 2781 2787 2793 3 2751 2760 2769 40 2742 2751 2760 41 2733 2727 2781 42 2733 2742 2751 41 2727 2733 2742 45 2727 2781 2784 19 2727 2781 2787 20 2721 2727 2733 46 2721 2727 2781 24 2826 2823 2829 1 2823 2829 2835 3 2811 2808 2814 1 2799 2793 2823 13 2799 2808 2811 49 2799 2808 2814 50 2793 2799 2808 103 2793 2823 2826 19 2793 2823 2829 20 2787 2793 2799 23 2787 2793 2823 24 2892 2889 2895 1 2889 2895 2901 3 2859 2868 2877 40 2850 2859 2868 41 2841 2835 2889 42 2841 2850 2859 41 2835 2841 2850 45 2835 2889 2892 19 2835 2889 2895 20 2829 2835 2841 46 2829 2835 2889 24 2940 2937 2943 1 2937 2943 2949 3 2913 2907 2925 25 2907 2901 2937 27 2901 2907 2913 31 2901 2907 2925 31 2901 2937 2940 19 2901 2937 2943 20 2895 2901 2907 32 2895 2901 2937 24 2970 2967 2973 1 2967 2973 2979 3 2955 2949 2967 56 2949 2967 2970 19 2949 2967 2973 20 2943 2949 2955 59 2943 2949 2967 24 3042 3039 3045 1 3039 3045 3051 3 3021 3018 3030 105 3012 3018 3021 105 3012 3018 3030 105 3003 3012 3018 110 2994 3003 3012 112 2985 2979 3039 42 2985 2994 3003 41 2979 2985 2994 45 2979 3039 3042 19 2979 3039 3045 20 2973 2979 2985 46 2973 2979 3039 24 3099 3096 3102 1 3096 3102 3108 3 3072 3066 3084 25 3057 3051 3096 13 3057 3066 3072 54 3057 3066 3084 54 3051 3057 3066 55 3051 3096 3099 19 3051 3096 3102 20 3045 3051 3057 23 3045 3051 3096 24 3165 3162 3168 1 3162 3168 3174 3 3132 3141 3150 40 3123 3132 3141 41 3114 3108 3162 42 3114 3123 3132 41 3108 3114 3123 45 3108 3162 3165 19 3108 3162 3168 20 3102 3108 3114 46 3102 3108 3162 24 3231 3228 3234 1 3228 3234 3240 3 3198 3207 3216 40 3189 3198 3207 41 3180 3174 3228 42 3180 3189 3198 41 3174 3180 3189 45 3174 3228 3231 19 3174 3228 3234 20 3168 3174 3180 46 3168 3174 3228 24 3297 3294 3300 1 3294 3300 3306 3 3264 3273 3282 40 3255 3264 3273 41 3246 3240 3294 42 3246 3255 3264 41 3240 3246 3255 45 3240 3294 3297 19 3240 3294 3300 20 3234 3240 3246 46 3234 3240 3294 24 3339 3336 3342 1 3336 3342 3354 113 3324 3321 3327 1 3312 3306 3336 13 3312 3321 3324 49 3312 3321 3327 50 3306 3312 3321 103 3306 3336 3339 19 3306 3336 3342 20 3300 3306 3312 23 3300 3306 3336 24 3360 3369 3372 117 3354 3348 3378 119 3354 3360 3369 121 3351 3348 3354 122 3351 3348 3378 1 3348 3354 3360 124 3348 3378 3384 3 3342 3354 3348 126 3342 3354 3360 128 3420 3417 3423 1 3417 3423 3429 3 3411 3408 3414 8 3399 3408 3411 11 3399 3408 3414 11 3390 3384 3417 13 3390 3399 3408 14 3384 3390 3399 18 3384 3417 3420 19 3384 3417 3423 20 3378 3384 3390 23 3378 3384 3417 24 3450 3447 3453 1 3447 3453 3459 3 3435 3429 3447 13 3429 3435 3444 131 3429 3447 3450 19 3429 3447 3453 20 3423 3429 3435 23 3423 3429 3447 24 3516 3513 3519 1 3513 3519 3525 3 3483 3492 3501 40 3474 3483 3492 41 3465 3459 3513 42 3465 3474 3483 41 3459 3465 3474 45 3459 3513 3516 19 3459 3513 3519 20 3453 3459 3465 46 3453 3459 3513 24 3546 3543 3549 1 3531 3525 3543 56 3525 3543 3546 19 3525 3543 3549 20 3519 3525 3531 59 3519 3525 3543 24 %FLAG DIHEDRALS_INC_HYDROGEN %FORMAT(10I8) 15 12 18 21 1 15 12 -18 21 2 12 18 24 27 3 9 3 12 15 7 9 3 -12 15 3 9 3 -12 15 8 9 3 12 18 3 6 3 12 15 7 6 3 -12 15 3 6 3 -12 15 8 6 3 12 18 3 3 12 18 21 2 0 3 12 15 7 0 3 -12 15 3 0 3 -12 15 8 0 3 12 18 3 60 57 63 66 1 60 57 -63 66 2 57 63 69 72 3 45 39 48 51 3 45 39 48 54 3 42 39 48 51 3 42 39 48 54 3 36 30 24 57 13 36 30 39 42 14 36 30 39 45 14 36 30 39 48 13 33 30 24 57 13 33 30 39 42 14 33 30 39 45 14 33 30 39 48 13 27 24 30 33 13 27 24 30 36 13 27 24 30 39 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1.20000000E+00 1.20000000E+00 1.55000000E+00 1.30000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.55000000E+00 1.30000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.55000000E+00 1.30000000E+00 1.30000000E+00 1.55000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.55000000E+00 1.30000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.55000000E+00 1.30000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.55000000E+00 1.30000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.70000000E+00 1.20000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.50000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.80000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.55000000E+00 1.30000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.30000000E+00 %FLAG SCREEN %FORMAT(5E16.8) 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 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7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 7.90000000E-01 8.50000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 9.60000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 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8.50000000E-01 %FLAG IPOL %FORMAT(1I8) 0 %FLAG CMAP_COUNT %FORMAT(2I8) 68 9 %FLAG CMAP_RESOLUTION %FORMAT(20I4) 24 24 24 24 24 24 24 24 24 %FLAG CMAP_PARAMETER_01 %COMMENT Ala CMAP %FORMAT(8F9.5) -0.40490 -0.91563 -0.66011 -0.12395 0.67400 1.66712 2.29819 2.59327 2.26341 1.68604 1.08454 0.71831 -0.48870 -1.12865 -0.92439 -0.34344 0.32979 0.59769 0.44008 -0.02411 -0.36985 -0.85317 -0.95648 -1.10907 -0.57095 -0.51404 -0.20974 0.13143 0.76924 1.59233 2.29037 2.67125 3.36182 2.18892 2.73567 0.45223 -0.65830 -0.99890 -0.71628 0.42576 0.53333 0.77654 0.66928 0.32986 0.00178 -0.28339 -0.35321 -0.52818 -0.04441 1.18495 0.28672 0.49834 1.04770 1.74318 2.42981 2.78424 2.83854 2.61585 1.87191 0.41363 -0.42895 -0.65692 0.55228 0.27728 0.92789 1.20682 1.03564 0.82326 0.50898 0.23806 0.20869 0.03162 0.75270 0.92426 0.87815 1.07435 1.34904 1.95311 2.55584 3.01644 2.98774 2.58246 1.60744 0.42752 -0.30354 -0.31446 -0.03375 0.52111 1.16914 1.46572 1.98214 1.17058 0.95531 0.70808 0.78722 1.35766 1.34685 2.28011 1.28633 1.21465 1.51939 2.05226 2.68560 3.11202 2.91890 2.50948 1.45835 0.41028 -0.10582 -0.34705 -0.04464 0.55547 1.11301 1.35870 1.48001 1.35541 1.12115 0.95721 1.12820 1.22585 2.04850 1.37875 1.14784 1.59064 1.72039 1.78908 3.30313 3.04054 2.98842 2.41992 1.44654 0.52504 -0.06270 -0.27801 0.87234 0.67598 0.94307 1.15416 1.20141 1.24110 1.26105 1.20805 1.33113 1.49416 1.04113 0.90852 0.69483 0.85361 1.26559 1.89687 2.63196 4.14974 2.85712 2.19037 1.16979 0.05713 -0.34982 -0.13111 1.14408 0.72916 0.83976 0.87834 2.10017 1.17948 1.17775 1.17175 1.28140 1.31313 0.56020 0.54579 0.70265 1.11648 1.74498 2.34101 3.30438 2.91742 2.51820 1.80071 0.63368 -0.12153 0.06806 0.72937 1.10420 1.35758 1.49864 1.53737 1.46180 1.46294 1.03983 0.71730 0.57013 0.61315 0.24962 0.58339 1.16380 1.97603 2.89121 3.52557 3.68570 3.11960 2.13455 1.15056 0.41716 0.25190 0.90813 1.46041 1.72423 2.08326 2.41176 2.51527 2.40584 2.10326 1.06657 0.24926 0.00000 0.09150 0.69001 1.45869 2.56017 3.51462 4.36327 4.88489 4.44136 3.31773 1.94048 1.18640 1.14388 1.38827 1.99448 1.97586 2.10793 2.62567 3.22808 3.67878 3.65514 2.76833 1.09340 -0.02756 -0.20820 0.11394 2.04863 3.24028 4.45604 5.33890 5.83417 5.62064 4.51400 3.15546 2.11289 2.12474 2.51205 2.64497 2.21088 1.89502 2.06746 3.01892 4.17428 5.04288 4.34485 2.58422 0.91721 0.02839 0.38724 1.08963 3.86396 5.17448 4.99907 4.71176 4.69475 4.40584 3.94871 3.17716 3.06333 3.67246 4.29338 2.44448 1.35877 2.75298 2.01318 3.50593 5.09938 4.27559 3.31646 1.97909 0.94467 0.88095 1.62501 2.60184 5.48793 4.77064 3.78644 3.36104 3.22046 3.45658 3.76845 4.19099 4.55308 4.85880 2.97166 1.40450 1.55754 1.01694 2.55251 4.15890 3.59316 2.89015 2.39954 2.03475 2.02513 2.33480 3.18431 4.21056 4.70559 3.27912 2.28983 1.85924 2.16582 3.20992 4.49444 5.42412 5.98035 4.20595 2.46249 1.80286 1.41486 2.22339 3.40125 3.01974 2.06463 1.98502 2.41985 3.03336 3.42492 3.76647 4.58344 5.51267 2.34028 1.47026 0.70060 0.67110 1.72673 3.69931 5.49162 6.13923 5.15665 3.78295 2.61455 3.27648 2.23785 2.65327 2.09930 0.98357 0.83115 1.73620 2.87719 3.88918 4.40086 4.76522 4.34641 3.40891 0.89883 0.26728 0.50152 0.12164 1.64744 3.66760 4.84258 4.73428 4.15359 3.27829 2.48102 2.07496 1.77587 1.23018 0.22862 -0.17811 0.36837 1.62610 2.66752 3.41452 3.43224 3.08090 2.54957 1.61094 0.32705 -0.14752 -0.38279 -0.00752 1.31062 2.89019 3.39946 3.48428 3.29026 2.66680 1.96417 1.33230 0.70261 -0.31922 -0.88675 -0.59803 0.32944 1.32712 1.88494 2.20282 2.13265 1.82079 1.35338 0.71220 -0.03270 -0.18304 -0.26783 0.12774 0.88323 1.96743 2.18027 2.30248 2.25909 1.78219 1.00274 0.24927 -0.80554 -1.41955 -1.17733 -0.22422 1.19834 1.07092 1.05260 0.95885 0.87757 0.60790 0.30853 0.05046 0.08873 0.15910 0.22294 0.37757 0.76603 1.36872 1.54866 1.47050 1.32077 0.90501 0.18754 -0.81180 -1.70050 -1.70896 -0.87307 -0.00331 0.74981 0.73853 0.55032 0.27050 -0.03313 -0.23059 -0.27425 -0.15004 1.38786 0.31030 0.31376 0.30435 0.69516 1.26684 1.67665 1.73040 1.48205 0.83164 0.78021 -1.27092 -1.69247 -1.59919 -0.87185 0.23049 0.75546 0.68419 0.50548 0.18474 -0.18354 -0.22863 -0.03965 0.15614 1.13038 0.28339 0.13603 0.26411 0.64582 1.31757 2.01140 2.13005 1.85723 0.94711 -0.10199 -0.99228 -1.35141 -1.23057 -0.39240 0.63569 1.03002 0.93699 1.12925 0.94167 0.14233 0.14305 0.34318 0.43742 -0.18145 -0.18129 -0.36426 -0.02774 0.57160 1.29873 2.16831 2.37053 1.81288 0.84225 -0.13994 -0.87562 -1.03375 -0.75156 0.33665 1.25211 1.11963 1.00266 0.72525 0.87651 0.22308 0.12905 0.05647 -0.10214 -1.05110 -0.75879 -0.79562 -0.36879 0.45648 1.36193 2.25739 2.41888 1.79507 0.83030 -0.09049 -0.76021 -0.87672 -0.19067 0.64936 0.61856 0.80179 0.82609 0.68948 0.43884 -0.07529 -0.55654 -0.80787 -1.00697 -1.21902 -1.03039 -0.88255 -0.32105 0.49201 1.53828 2.43182 2.53201 1.97701 1.22953 0.40353 -0.11048 -0.00493 -0.40512 -0.63562 -0.14764 0.47545 0.72229 0.59153 0.14907 -0.47001 -0.96318 -1.22829 -1.35376 %FLAG CMAP_PARAMETER_02 %COMMENT Ser CMAP %FORMAT(8F9.5) -0.32244 0.12696 0.66374 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