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1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 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 1.00800000E+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 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.60000000E+01 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 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 1.40100000E+01 1.40100000E+01 1.40100000E+01 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.40100000E+01 1.40100000E+01 1.40100000E+01 %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 3 4 12 1 12 1 1 3 3 13 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 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 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 17 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 18 19 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 3 4 12 1 12 1 1 3 3 13 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 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 17 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 20 20 21 12 22 22 12 22 22 23 12 22 22 12 22 22 23 12 22 22 12 22 22 23 12 22 22 12 22 22 21 20 20 %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 13 6 10 5 9 4 3 6 8 4 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 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 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 13 6 10 5 9 4 3 6 8 4 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 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 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 3 5 7 7 5 4 7 3 2 7 7 5 4 7 3 2 7 7 5 4 7 3 2 7 7 5 4 5 3 2 2 1 1 %FLAG NONBONDED_PARM_INDEX %FORMAT(10I8) 1 2 4 7 11 16 22 29 37 46 56 67 79 92 106 121 137 154 172 191 211 232 254 2 3 5 8 12 17 23 30 38 47 57 68 80 93 107 122 138 155 173 192 212 233 255 4 5 6 9 13 18 24 31 39 48 58 69 81 94 108 123 139 156 174 193 213 234 256 7 8 9 10 14 19 25 32 40 49 59 70 82 95 109 124 140 157 175 194 214 235 257 11 12 13 14 15 20 26 33 41 50 60 71 83 96 110 125 141 158 176 195 215 236 258 16 17 18 19 20 21 27 34 42 51 61 72 84 97 111 126 142 159 177 196 216 237 259 22 23 24 25 26 27 28 35 43 52 62 73 85 98 112 127 143 160 178 197 217 238 260 29 30 31 32 33 34 35 36 44 53 63 74 86 99 113 128 144 161 179 198 218 239 261 37 38 39 40 41 42 43 44 45 54 64 75 87 100 114 129 145 162 180 199 219 240 262 46 47 48 49 50 51 52 53 54 55 65 76 88 101 115 130 146 163 181 200 220 241 263 56 57 58 59 60 61 62 63 64 65 66 77 89 102 116 131 147 164 182 201 221 242 264 67 68 69 70 71 72 73 74 75 76 77 78 90 103 117 132 148 165 183 202 222 243 265 79 80 81 82 83 84 85 86 87 88 89 90 91 104 118 133 149 166 184 203 223 244 266 92 93 94 95 96 97 98 99 100 101 102 103 104 105 119 134 150 167 185 204 224 245 267 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 135 151 168 186 205 225 246 268 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 152 169 187 206 226 247 269 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 170 188 207 227 248 270 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 189 208 228 249 271 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 209 229 250 272 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 230 251 273 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 252 274 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 275 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 %FLAG RESIDUE_LABEL %FORMAT(20a4) ACE GLU VAL LYS GLN LEU GLU ALA GLU VAL GLU GLU LEU GLU PRB GLU LEU TRP HID LEU GLU ASN GLU VAL ALA ARG LEU GLU LYS 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 PRB HID LEU LYS ASN LYS VAL ALA ARG LEU LYS LYS LYS ASN ALA GLU CYX LYS ALA NHE PZ4 %FLAG RESIDUE_POINTER %FORMAT(10I8) 1 7 22 38 60 77 96 111 121 136 152 167 182 201 216 228 243 262 286 303 322 337 351 366 382 392 416 435 450 472 487 501 511 526 536 551 561 564 570 592 608 630 647 666 688 698 720 736 751 766 785 807 818 840 859 871 888 907 929 943 965 981 991 1015 1034 1056 1078 1100 1114 1124 1139 1149 1171 1181 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 4.03900000E+02 3.54500000E+02 4.16100000E+02 3.69100000E+02 3.75900000E+02 2.62600000E+02 3.75900000E+02 2.32500000E+02 2.43200000E+02 2.63800000E+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 1.66000000E+02 3.40000000E+02 2.27000000E+02 5.53000000E+02 3.20000000E+02 4.50700000E+02 3.74700000E+02 3.00500000E+02 3.75900000E+02 2.62900000E+02 2.32500000E+02 2.84800000E+02 3.02400000E+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 1.08200000E+00 1.38000000E+00 1.37300000E+00 1.36900000E+00 1.09700000E+00 1.50200000E+00 1.09700000E+00 1.53800000E+00 1.52400000E+00 1.46200000E+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 2.03800000E+00 1.09000000E+00 1.81000000E+00 9.60000000E-01 1.41000000E+00 1.31700000E+00 1.29900000E+00 1.35600000E+00 1.09700000E+00 1.46300000E+00 1.53800000E+00 1.43200000E+00 1.35400000E+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 6.15000000E+01 9.11000000E+01 8.81000000E+01 6.37000000E+01 4.78000000E+01 9.27000000E+01 9.17000000E+01 4.77000000E+01 3.90000000E+01 6.68000000E+01 8.32000000E+01 4.68000000E+01 7.00000000E+01 4.68000000E+01 6.55000000E+01 8.46000000E+01 4.74000000E+01 6.53000000E+01 4.61000000E+01 8.45000000E+01 6.14000000E+01 8.32000000E+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 6.80000000E+01 5.00000000E+01 3.50000000E+01 5.00000000E+01 5.00000000E+01 5.00000000E+01 5.50000000E+01 5.00000000E+01 8.81000000E+01 8.31000000E+01 9.17000000E+01 8.39000000E+01 1.16800000E+02 6.15000000E+01 3.88000000E+01 8.24000000E+01 4.69000000E+01 8.27000000E+01 6.24000000E+01 8.53000000E+01 6.63000000E+01 8.25000000E+01 1.16900000E+02 %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 2.12755727E+00 2.10364625E+00 1.94866095E+00 1.96105279E+00 2.20714432E+00 2.24239998E+00 1.86732857E+00 1.89577745E+00 1.92841512E+00 1.87762601E+00 2.08479669E+00 2.11097664E+00 1.91637234E+00 2.03505478E+00 1.91637234E+00 1.95354787E+00 2.15024656E+00 1.89839544E+00 1.93801443E+00 2.05390434E+00 1.90345690E+00 1.91113635E+00 1.94796281E+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 1.80990721E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 2.00189351E+00 1.91113635E+00 1.89368305E+00 1.91113635E+00 2.16106761E+00 2.20313006E+00 1.89577745E+00 2.13645845E+00 1.85423859E+00 1.89856997E+00 1.89298492E+00 2.09753759E+00 1.91218355E+00 1.97012850E+00 1.91602327E+00 1.88443280E+00 1.96314718E+00 2.09753759E+00 1.85423859E+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 2.70000000E-01 4.20000000E-01 4.00000000E+00 1.70000000E+00 4.75000000E+00 4.80000000E+00 1.20000000E-01 1.57000000E-01 8.30000000E-01 4.00000000E-02 2.70000000E-01 4.50000000E-01 1.58000000E+00 5.50000000E-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 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 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 3.37000000E-01 1.60000000E-01 2.40000000E-01 1.70000000E-01 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 2.00000000E+00 3.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+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 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 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 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 3.00000000E+00 2.00000000E+00 3.00000000E+00 1.00000000E+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 0.00000000E+00 0.00000000E+00 3.14159400E+00 3.14159400E+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 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 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 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 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 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 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 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 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 1.02073671E+06 6.02863188E+03 7.84511674E+04 6.27751680E+04 4.36069364E+04 6.11299385E+04 6.76796831E+01 3.86158714E+03 6.95568610E+04 4.31596374E+04 1.06023582E+03 7.19825646E+04 7.75673747E+04 4.56536476E+03 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 7.10513128E+04 4.14474284E+03 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 8.50294791E+04 5.11317150E+03 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 5.92092559E+04 3.34719214E+03 3.03448006E+03 3.76169105E+03 2.43828624E+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 2.09089895E+06 1.64354276E+05 1.50723105E+05 1.79659945E+05 1.26117560E+05 4.26366419E+06 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 7.82881336E+05 5.43945007E+04 4.96707306E+04 6.00750218E+04 4.09427581E+04 1.62294350E+06 5.81803229E+05 0.00000000E+00 0.00000000E+00 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3.81142515E+04 8.84544347E+02 6.43853349E+04 6.97998263E+04 3.94664935E+03 3.57795711E+03 4.43530964E+03 2.87505342E+03 1.48672098E+05 4.82692694E+04 0.00000000E+00 6.34160397E+04 6.42436358E+04 3.39005767E+03 5.02224902E+04 5.48478208E+05 4.46121722E+05 3.27367585E+05 4.46307018E+05 9.46795083E+02 3.32551339E+04 4.86295154E+05 3.30296908E+05 1.06013455E+04 5.18220260E+05 5.42502534E+05 3.86549715E+04 3.53289728E+04 4.26018274E+04 2.92109361E+04 1.12086734E+06 4.06752008E+05 0.00000000E+00 4.94433451E+05 5.22690526E+05 3.44374471E+04 2.83662575E+05 %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 1.37787728E+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 6.63431737E+02 2.10068861E+01 1.14759990E+02 1.00073628E+02 9.20079458E+01 1.12023534E+02 1.85338491E+00 1.56709129E+01 1.01749214E+02 1.00191339E+02 8.21131314E+00 1.22733283E+02 1.13692208E+02 1.71467049E+01 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 1.06903901E+02 1.60512210E+01 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 1.16947855E+02 1.78280753E+01 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 9.75893223E+01 1.44244612E+01 1.34932874E+01 1.50233639E+01 1.20953369E+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 1.20800124E+03 2.10544132E+02 1.98088334E+02 2.16269171E+02 1.81199404E+02 2.19459223E+03 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 6.86742760E+02 1.12531834E+02 1.05648788E+02 1.16187983E+02 9.59185913E+01 1.25793819E+03 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 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.27000718E+02 6.18067719E+02 5.44830041E+02 5.19385932E+02 6.20851625E+02 1.57231024E+01 9.68317709E+01 5.47995038E+02 5.72796552E+02 5.59621097E+01 6.73934129E+02 6.12468585E+02 1.04776275E+02 9.85144068E+01 1.07792209E+02 8.99118321E+01 1.11546536E+03 6.33599808E+02 0.00000000E+00 5.65406768E+02 1.56025608E+02 7.75965878E+02 6.82622272E+02 6.46321327E+02 7.75261695E+02 1.81620725E+01 1.18480231E+02 6.87991684E+02 7.11091246E+02 6.72475934E+01 8.43016687E+02 7.68900328E+02 1.28466555E+02 1.20690226E+02 1.32424984E+02 1.09835130E+02 1.40479403E+03 7.88832443E+02 0.00000000E+00 7.09588248E+02 8.86629877E+02 2.08590256E+01 1.16065835E+02 1.01040256E+02 9.23664132E+01 1.12788003E+02 1.73959275E+00 1.55059847E+01 1.02907011E+02 1.00379343E+02 7.99614292E+00 1.23751804E+02 1.14981426E+02 1.69967767E+01 1.58996004E+01 1.77023375E+01 1.42525182E+01 2.13489607E+02 1.13016701E+02 0.00000000E+00 1.05935811E+02 1.29412081E+02 1.67944276E+01 8.83545880E+01 4.42179058E+02 3.88758656E+02 3.67361018E+02 4.41089616E+02 1.01016461E+01 6.70144433E+01 3.92047541E+02 4.03897559E+02 3.78372494E+01 4.79881022E+02 4.38146883E+02 7.27065100E+01 6.82892701E+01 7.49896074E+01 6.20954392E+01 8.01230425E+02 4.48425641E+02 0.00000000E+00 4.04310927E+02 5.04545572E+02 7.31636661E+01 2.87011518E+02 %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 3 435 444 3 423 426 3 423 429 3 423 432 3 417 420 14 411 414 9 405 408 12 474 477 6 474 480 6 465 468 6 465 471 6 459 462 9 453 456 12 519 522 6 519 525 6 510 513 6 510 516 6 504 507 9 498 501 12 582 585 3 582 588 3 582 591 3 570 573 3 570 576 3 570 579 3 564 567 14 555 558 6 555 561 6 549 552 9 543 546 12 621 624 6 621 627 6 612 615 6 612 618 6 606 609 9 600 603 12 675 678 26 663 666 30 663 669 30 657 660 32 645 648 12 702 705 6 702 708 6 693 696 6 693 699 6 687 690 9 681 684 12 765 768 3 765 771 3 765 774 3 753 756 3 753 759 3 753 762 3 747 750 14 738 741 6 738 744 6 732 735 9 726 729 12 840 843 36 834 837 36 828 831 36 822 825 36 813 816 41 807 810 43 795 798 3 795 801 3 789 792 9 783 786 12 894 897 48 885 888 50 879 882 41 867 870 3 867 873 3 861 864 9 855 858 12 945 948 3 945 951 3 945 954 3 933 936 3 933 939 3 933 942 3 927 930 14 918 921 6 918 924 6 912 915 9 906 909 12 984 987 6 984 990 6 975 978 6 975 981 6 969 972 9 963 966 12 1035 1038 12 1035 1041 12 1020 1023 6 1020 1026 6 1014 1017 9 1008 1011 12 1071 1074 6 1071 1077 6 1062 1065 6 1062 1068 6 1056 1059 9 1050 1053 12 1125 1128 3 1125 1131 3 1125 1134 3 1113 1116 3 1113 1119 3 1113 1122 3 1107 1110 14 1101 1104 9 1095 1098 12 1155 1158 3 1155 1161 3 1155 1164 3 1149 1152 9 1143 1146 12 1230 1233 56 1230 1236 56 1221 1224 56 1221 1227 56 1212 1215 56 1203 1206 58 1203 1209 58 1194 1197 20 1194 1200 20 1185 1188 20 1185 1191 20 1179 1182 9 1173 1176 12 1284 1287 3 1284 1290 3 1284 1293 3 1272 1275 3 1272 1278 3 1272 1281 3 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1803 1806 3 1803 1809 3 1803 1812 3 1791 1794 3 1791 1797 3 1791 1800 3 1785 1788 14 1779 1782 9 1773 1776 12 1869 1872 17 1869 1875 17 1869 1878 17 1860 1863 18 1860 1866 18 1851 1854 20 1851 1857 20 1842 1845 20 1842 1848 20 1833 1836 20 1833 1839 20 1827 1830 9 1821 1824 12 1923 1926 12 1923 1929 12 1908 1911 6 1908 1914 6 1899 1902 6 1899 1905 6 1893 1896 9 1887 1890 12 1977 1980 3 1977 1983 3 1977 1986 3 1965 1968 3 1965 1971 3 1965 1974 3 1959 1962 14 1950 1953 6 1950 1956 6 1944 1947 9 1938 1941 12 2043 2046 17 2043 2049 17 2043 2052 17 2034 2037 18 2034 2040 18 2025 2028 20 2025 2031 20 2016 2019 20 2016 2022 20 2007 2010 20 2007 2013 20 2001 2004 9 1995 1998 12 2073 2076 3 2073 2079 3 2073 2082 3 2067 2070 9 2061 2064 12 2139 2142 17 2139 2145 17 2139 2148 17 2130 2133 18 2130 2136 18 2121 2124 20 2121 2127 20 2112 2115 20 2112 2118 20 2103 2106 20 2103 2109 20 2097 2100 9 2091 2094 12 2187 2190 3 2187 2193 3 2187 2196 3 2175 2178 3 2175 2181 3 2175 2184 3 2169 2172 14 2163 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2700 2706 3 2700 2709 3 2688 2691 3 2688 2694 3 2688 2697 3 2682 2685 14 2673 2676 6 2673 2679 6 2667 2670 9 2661 2664 12 2766 2769 17 2766 2772 17 2766 2775 17 2757 2760 18 2757 2763 18 2748 2751 20 2748 2754 20 2739 2742 20 2739 2745 20 2730 2733 20 2730 2736 20 2724 2727 9 2718 2721 12 2811 2814 12 2811 2817 12 2796 2799 6 2796 2802 6 2790 2793 9 2784 2787 12 2874 2877 17 2874 2880 17 2874 2883 17 2865 2868 18 2865 2871 18 2856 2859 20 2856 2862 20 2847 2850 20 2847 2853 20 2838 2841 20 2838 2844 20 2832 2835 9 2826 2829 12 2922 2925 3 2922 2928 3 2922 2931 3 2910 2913 3 2910 2916 3 2910 2919 3 2904 2907 14 2898 2901 9 2892 2895 12 2952 2955 3 2952 2958 3 2952 2961 3 2946 2949 9 2940 2943 12 3027 3030 56 3027 3033 56 3018 3021 56 3018 3024 56 3009 3012 56 3000 3003 58 3000 3006 58 2991 2994 20 2991 2997 20 2982 2985 20 2982 2988 20 2976 2979 9 2970 2973 12 3081 3084 3 3081 3087 3 3081 3090 3 3069 3072 3 3069 3075 3 3069 3078 3 3063 3066 14 3054 3057 6 3054 3060 6 3048 3051 9 3042 3045 12 3147 3150 17 3147 3153 17 3147 3156 17 3138 3141 18 3138 3144 18 3129 3132 20 3129 3135 20 3120 3123 20 3120 3126 20 3111 3114 20 3111 3117 20 3105 3108 9 3099 3102 12 3213 3216 17 3213 3219 17 3213 3222 17 3204 3207 18 3204 3210 18 3195 3198 20 3195 3201 20 3186 3189 20 3186 3192 20 3177 3180 20 3177 3183 20 3171 3174 9 3165 3168 12 3279 3282 17 3279 3285 17 3279 3288 17 3270 3273 18 3270 3276 18 3261 3264 20 3261 3267 20 3252 3255 20 3252 3258 20 3243 3246 20 3243 3249 20 3237 3240 9 3231 3234 12 3324 3327 12 3324 3330 12 3309 3312 6 3309 3315 6 3303 3306 9 3297 3300 12 3351 3354 3 3351 3357 3 3351 3360 3 3345 3348 9 3339 3342 12 3390 3393 6 3390 3396 6 3381 3384 6 3381 3387 6 3375 3378 9 3369 3372 12 3426 3429 61 3426 3432 61 3420 3423 9 3414 3417 12 3492 3495 17 3492 3498 17 3492 3501 17 3483 3486 18 3483 3489 18 3474 3477 20 3474 3480 20 3465 3468 20 3465 3471 20 3456 3459 20 3456 3462 20 3450 3453 9 3444 3447 12 3522 3525 3 3522 3528 3 3522 3531 3 3516 3519 9 3510 3513 12 3540 3543 12 3540 3546 12 3630 3633 68 3630 3636 68 3621 3624 68 3621 3627 68 3609 3612 68 3609 3615 68 3600 3603 68 3600 3606 68 3588 3591 68 3588 3594 68 3579 3582 68 3579 3585 68 3567 3570 68 3567 3573 68 3558 3561 68 3558 3564 68 %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 13 675 3555 27 672 675 28 672 3549 29 663 672 31 657 663 33 651 654 1 651 657 34 651 681 2 645 657 35 720 723 1 720 726 2 711 714 5 711 717 5 702 711 7 693 702 8 687 693 10 687 720 11 681 687 13 777 780 1 777 783 2 747 753 15 747 765 15 738 747 24 732 738 10 732 777 11 726 732 13 849 852 1 849 855 2 840 846 37 834 840 38 828 834 38 822 828 38 819 822 39 819 846 40 813 819 42 807 813 44 804 807 45 804 846 46 795 804 47 789 795 25 789 849 11 783 789 13 900 903 1 900 906 2 891 894 49 885 891 51 879 885 52 876 879 53 876 894 54 867 876 55 861 867 25 861 900 11 855 861 13 957 960 1 957 963 2 927 933 15 927 945 15 918 927 24 912 918 10 912 957 11 906 912 13 1002 1005 1 1002 1008 2 993 996 5 993 999 5 984 993 7 975 984 8 969 975 10 969 1002 11 963 969 13 1044 1047 1 1044 1050 2 1029 1032 1 1029 1035 2 1020 1029 23 1014 1020 10 1014 1044 11 1008 1014 13 1089 1092 1 1089 1095 2 1080 1083 5 1080 1086 5 1071 1080 7 1062 1071 8 1056 1062 10 1056 1089 11 1050 1056 13 1137 1140 1 1137 1143 2 1107 1113 15 1107 1125 15 1101 1107 16 1101 1137 11 1095 1101 13 1167 1170 1 1167 1173 2 1149 1155 25 1149 1167 11 1143 1149 13 1239 1242 1 1239 1245 2 1218 1221 57 1218 1230 57 1212 1218 57 1203 1212 59 1194 1203 21 1185 1194 21 1179 1185 22 1179 1239 11 1173 1179 13 1296 1299 1 1296 1302 2 1266 1272 15 1266 1284 15 1257 1266 24 1251 1257 10 1251 1296 11 1245 1251 13 1341 1344 1 1341 1347 2 1332 1335 5 1332 1338 5 1323 1332 7 1314 1323 8 1308 1314 10 1308 1341 11 1302 1308 13 1407 1410 1 1407 1413 2 1386 1395 19 1377 1386 21 1368 1377 21 1359 1368 21 1353 1359 22 1353 1407 11 1347 1353 13 1452 1455 1 1452 1458 2 1443 1446 5 1443 1449 5 1434 1443 7 1425 1434 8 1419 1425 10 1419 1452 11 1413 1419 13 1494 1497 1 1494 1500 2 1479 1482 1 1479 1485 2 1470 1479 23 1464 1470 10 1464 1494 11 1458 1464 13 1524 1527 1 1524 1530 2 1506 1512 25 1506 1524 11 1500 1506 13 1569 1572 1 1569 1575 2 1560 1563 5 1560 1566 5 1551 1560 7 1542 1551 8 1536 1542 10 1536 1569 11 1530 1536 13 1599 1602 1 1599 1605 2 1596 3435 60 1587 1596 62 1581 1587 10 1581 1599 11 1575 1581 13 1644 1647 1 1644 1650 2 1635 1638 5 1635 1641 5 1626 1635 7 1617 1626 8 1611 1617 10 1611 1644 11 1605 1611 13 1674 1677 1 1674 1680 2 1656 1662 25 1656 1674 11 1650 1656 13 1701 1704 1 1701 1707 2 1692 1701 4 1767 1770 1 1767 1773 2 1746 1755 19 1737 1746 21 1728 1737 21 1719 1728 21 1713 1719 22 1713 1767 11 1707 1713 13 1815 1818 1 1815 1821 2 1785 1791 15 1785 1803 15 1779 1785 16 1779 1815 11 1773 1779 13 1881 1884 1 1881 1887 2 1860 1869 19 1851 1860 21 1842 1851 21 1833 1842 21 1827 1833 22 1827 1881 11 1821 1827 13 1932 1935 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2358 2412 11 2352 2358 13 2445 2448 1 2445 2451 2 2430 2439 64 2424 2430 10 2424 2445 11 2418 2424 13 2511 2514 1 2511 2517 2 2490 2499 19 2481 2490 21 2472 2481 21 2463 2472 21 2457 2463 22 2457 2511 11 2451 2457 13 2568 2571 1 2568 2574 2 2538 2544 15 2538 2556 15 2529 2538 24 2523 2529 10 2523 2568 11 2517 2523 13 2604 3639 27 2601 2604 28 2601 3645 65 2592 2601 31 2586 2592 33 2580 2583 1 2580 2586 34 2580 2610 2 2574 2586 35 2655 2658 1 2655 2661 2 2646 2649 49 2640 2646 51 2634 2640 52 2631 2634 53 2631 2649 54 2622 2631 55 2616 2622 25 2616 2655 11 2610 2616 13 2712 2715 1 2712 2718 2 2682 2688 15 2682 2700 15 2673 2682 24 2667 2673 10 2667 2712 11 2661 2667 13 2778 2781 1 2778 2784 2 2757 2766 19 2748 2757 21 2739 2748 21 2730 2739 21 2724 2730 22 2724 2778 11 2718 2724 13 2820 2823 1 2820 2826 2 2805 2808 1 2805 2811 2 2796 2805 23 2790 2796 10 2790 2820 11 2784 2790 13 2886 2889 1 2886 2892 2 2865 2874 19 2856 2865 21 2847 2856 21 2838 2847 21 2832 2838 22 2832 2886 11 2826 2832 13 2934 2937 1 2934 2940 2 2904 2910 15 2904 2922 15 2898 2904 16 2898 2934 11 2892 2898 13 2964 2967 1 2964 2970 2 2946 2952 25 2946 2964 11 2940 2946 13 3036 3039 1 3036 3042 2 3015 3018 57 3015 3027 57 3009 3015 57 3000 3009 59 2991 3000 21 2982 2991 21 2976 2982 22 2976 3036 11 2970 2976 13 3093 3096 1 3093 3099 2 3063 3069 15 3063 3081 15 3054 3063 24 3048 3054 10 3048 3093 11 3042 3048 13 3159 3162 1 3159 3165 2 3138 3147 19 3129 3138 21 3120 3129 21 3111 3120 21 3105 3111 22 3105 3159 11 3099 3105 13 3225 3228 1 3225 3231 2 3204 3213 19 3195 3204 21 3186 3195 21 3177 3186 21 3171 3177 22 3171 3225 11 3165 3171 13 3291 3294 1 3291 3297 2 3270 3279 19 3261 3270 21 3252 3261 21 3243 3252 21 3237 3243 22 3237 3291 11 3231 3237 13 3333 3336 1 3333 3339 2 3318 3321 1 3318 3324 2 3309 3318 23 3303 3309 10 3303 3333 11 3297 3303 13 3363 3366 1 3363 3369 2 3345 3351 25 3345 3363 11 3339 3345 13 3408 3411 1 3408 3414 2 3399 3402 5 3399 3405 5 3390 3399 7 3381 3390 8 3375 3381 10 3375 3408 11 3369 3375 13 3438 3441 1 3438 3444 2 3426 3435 62 3420 3426 10 3420 3438 11 3414 3420 13 3504 3507 1 3504 3510 2 3483 3492 19 3474 3483 21 3465 3474 21 3456 3465 21 3450 3456 22 3450 3504 11 3444 3450 13 3534 3537 1 3534 3540 2 3516 3522 25 3516 3534 11 3510 3516 13 3642 3645 66 3639 3642 67 3630 3639 69 3621 3630 70 3618 3621 71 3609 3618 71 3600 3609 70 3597 3600 71 3588 3597 71 3579 3588 70 3576 3579 71 3567 3576 71 3558 3567 70 3555 3558 69 3552 3555 72 3549 3552 66 %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 28 75 93 96 28 75 93 99 28 75 93 102 28 72 69 75 29 72 69 105 16 69 75 78 30 66 63 69 21 63 69 72 22 171 177 180 2 165 159 168 33 162 159 165 33 162 159 168 33 156 150 159 34 153 150 156 35 153 150 159 34 150 159 162 36 150 159 165 36 150 159 168 36 147 141 150 37 144 141 147 38 144 141 150 37 141 150 153 39 141 150 156 39 138 132 141 37 135 132 138 38 135 132 141 37 132 141 144 37 132 141 147 37 129 123 132 37 126 123 129 38 126 123 132 37 123 132 135 37 123 132 138 37 120 117 123 43 120 117 171 16 117 123 126 44 117 123 129 44 114 111 117 21 111 117 120 22 222 228 231 2 216 213 219 47 207 213 216 2 207 213 219 2 204 198 207 48 201 198 204 10 201 198 207 48 195 189 198 12 192 189 195 10 192 189 198 12 189 198 201 12 189 198 204 12 186 183 189 15 186 183 222 16 183 189 192 17 183 189 195 17 180 177 183 21 177 183 186 22 279 285 288 2 273 267 276 5 270 267 273 5 270 267 276 5 261 255 264 5 258 255 261 5 258 255 264 5 252 249 255 26 252 249 267 26 249 255 258 28 249 255 261 28 249 255 264 28 249 267 270 28 249 267 273 28 249 267 276 28 246 240 249 52 243 240 246 10 243 240 249 52 240 249 252 53 237 234 240 15 237 234 279 16 234 240 243 17 234 240 246 17 231 228 234 21 228 234 237 22 324 330 333 2 312 306 315 9 309 306 312 10 309 306 315 9 303 297 306 12 300 297 303 10 300 297 306 12 297 306 309 12 297 306 312 12 294 291 297 15 294 291 324 16 291 297 300 17 291 297 303 17 288 285 291 21 285 291 294 22 354 360 363 2 348 342 351 5 345 342 348 5 345 342 351 5 339 336 342 57 339 336 354 16 336 342 345 58 336 342 348 58 336 342 351 58 333 330 336 21 330 336 339 22 399 405 408 2 387 381 390 9 384 381 387 10 384 381 390 9 378 372 381 12 375 372 378 10 375 372 381 12 372 381 384 12 372 381 387 12 369 366 372 15 369 366 399 16 366 372 375 17 366 372 378 17 363 360 366 21 360 366 369 22 447 453 456 2 441 435 444 5 438 435 441 5 438 435 444 5 429 423 432 5 426 423 429 5 426 423 432 5 420 417 423 26 420 417 435 26 417 423 426 28 417 423 429 28 417 423 432 28 417 435 438 28 417 435 441 28 417 435 444 28 414 411 417 29 414 411 447 16 411 417 420 30 408 405 411 21 405 411 414 22 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17 603 600 606 21 600 606 609 22 678 675 3555 61 672 675 678 65 669 663 672 68 666 663 669 69 666 663 672 68 660 657 663 72 657 663 666 74 657 663 669 74 651 657 660 77 651 681 684 2 648 645 657 79 645 657 660 81 720 726 729 2 708 702 711 9 705 702 708 10 705 702 711 9 699 693 702 12 696 693 699 10 696 693 702 12 693 702 705 12 693 702 708 12 690 687 693 15 690 687 720 16 687 693 696 17 687 693 699 17 684 681 687 21 681 687 690 22 777 783 786 2 771 765 774 5 768 765 771 5 768 765 774 5 759 753 762 5 756 753 759 5 756 753 762 5 750 747 753 26 750 747 765 26 747 753 756 28 747 753 759 28 747 753 762 28 747 765 768 28 747 765 771 28 747 765 774 28 744 738 747 52 741 738 744 10 741 738 747 52 738 747 750 53 735 732 738 15 735 732 777 16 732 738 741 17 732 738 744 17 729 726 732 21 726 732 735 22 849 855 858 2 843 840 846 83 837 834 840 84 834 840 843 84 831 828 834 84 828 834 837 84 825 822 828 84 822 828 831 84 819 822 825 88 816 813 819 91 810 807 813 94 807 813 816 96 804 807 810 98 801 795 804 102 798 795 801 5 798 795 804 102 792 789 795 57 792 789 849 16 789 795 798 58 789 795 801 58 786 783 789 21 783 789 792 22 900 906 909 2 891 894 897 106 888 885 891 107 882 879 885 109 879 885 888 111 876 879 882 113 876 894 897 116 873 867 876 117 870 867 873 5 870 867 876 117 864 861 867 57 864 861 900 16 861 867 870 58 861 867 873 58 858 855 861 21 855 861 864 22 957 963 966 2 951 945 954 5 948 945 951 5 948 945 954 5 939 933 942 5 936 933 939 5 936 933 942 5 930 927 933 26 930 927 945 26 927 933 936 28 927 933 939 28 927 933 942 28 927 945 948 28 927 945 951 28 927 945 954 28 924 918 927 52 921 918 924 10 921 918 927 52 918 927 930 53 915 912 918 15 915 912 957 16 912 918 921 17 912 918 924 17 909 906 912 21 906 912 915 22 1002 1008 1011 2 990 984 993 9 987 984 990 10 987 984 993 9 981 975 984 12 978 975 981 10 978 975 984 12 975 984 987 12 975 984 990 12 972 969 975 15 972 969 1002 16 969 975 978 17 969 975 981 17 966 963 969 21 963 969 972 22 1044 1050 1053 2 1038 1035 1041 47 1029 1035 1038 2 1029 1035 1041 2 1026 1020 1029 48 1023 1020 1026 10 1023 1020 1029 48 1017 1014 1020 15 1017 1014 1044 16 1014 1020 1023 17 1014 1020 1026 17 1011 1008 1014 21 1008 1014 1017 22 1089 1095 1098 2 1077 1071 1080 9 1074 1071 1077 10 1074 1071 1080 9 1068 1062 1071 12 1065 1062 1068 10 1065 1062 1071 12 1062 1071 1074 12 1062 1071 1077 12 1059 1056 1062 15 1059 1056 1089 16 1056 1062 1065 17 1056 1062 1068 17 1053 1050 1056 21 1050 1056 1059 22 1137 1143 1146 2 1131 1125 1134 5 1128 1125 1131 5 1128 1125 1134 5 1119 1113 1122 5 1116 1113 1119 5 1116 1113 1122 5 1110 1107 1113 26 1110 1107 1125 26 1107 1113 1116 28 1107 1113 1119 28 1107 1113 1122 28 1107 1125 1128 28 1107 1125 1131 28 1107 1125 1134 28 1104 1101 1107 29 1104 1101 1137 16 1101 1107 1110 30 1098 1095 1101 21 1095 1101 1104 22 1167 1173 1176 2 1161 1155 1164 5 1158 1155 1161 5 1158 1155 1164 5 1152 1149 1155 57 1152 1149 1167 16 1149 1155 1158 58 1149 1155 1161 58 1149 1155 1164 58 1146 1143 1149 21 1143 1149 1152 22 1239 1245 1248 2 1233 1230 1236 122 1224 1221 1227 122 1218 1221 1224 124 1218 1221 1227 124 1218 1230 1233 124 1218 1230 1236 124 1215 1212 1218 124 1209 1203 1212 125 1206 1203 1209 126 1206 1203 1212 125 1203 1212 1215 127 1200 1194 1203 37 1197 1194 1200 38 1197 1194 1203 37 1194 1203 1206 129 1194 1203 1209 129 1191 1185 1194 37 1188 1185 1191 38 1188 1185 1194 37 1185 1194 1197 37 1185 1194 1200 37 1182 1179 1185 43 1182 1179 1239 16 1179 1185 1188 44 1179 1185 1191 44 1176 1173 1179 21 1173 1179 1182 22 1296 1302 1305 2 1290 1284 1293 5 1287 1284 1290 5 1287 1284 1293 5 1278 1272 1281 5 1275 1272 1278 5 1275 1272 1281 5 1269 1266 1272 26 1269 1266 1284 26 1266 1272 1275 28 1266 1272 1278 28 1266 1272 1281 28 1266 1284 1287 28 1266 1284 1290 28 1266 1284 1293 28 1263 1257 1266 52 1260 1257 1263 10 1260 1257 1266 52 1257 1266 1269 53 1254 1251 1257 15 1254 1251 1296 16 1251 1257 1260 17 1251 1257 1263 17 1248 1245 1251 21 1245 1251 1254 22 1341 1347 1350 2 1329 1323 1332 9 1326 1323 1329 10 1326 1323 1332 9 1320 1314 1323 12 1317 1314 1320 10 1317 1314 1323 12 1314 1323 1326 12 1314 1323 1329 12 1311 1308 1314 15 1311 1308 1341 16 1308 1314 1317 17 1308 1314 1320 17 1305 1302 1308 21 1302 1308 1311 22 1407 1413 1416 2 1401 1395 1404 33 1398 1395 1401 33 1398 1395 1404 33 1392 1386 1395 34 1389 1386 1392 35 1389 1386 1395 34 1386 1395 1398 36 1386 1395 1401 36 1386 1395 1404 36 1383 1377 1386 37 1380 1377 1383 38 1380 1377 1386 37 1377 1386 1389 39 1377 1386 1392 39 1374 1368 1377 37 1371 1368 1374 38 1371 1368 1377 37 1368 1377 1380 37 1368 1377 1383 37 1365 1359 1368 37 1362 1359 1365 38 1362 1359 1368 37 1359 1368 1371 37 1359 1368 1374 37 1356 1353 1359 43 1356 1353 1407 16 1353 1359 1362 44 1353 1359 1365 44 1350 1347 1353 21 1347 1353 1356 22 1452 1458 1461 2 1440 1434 1443 9 1437 1434 1440 10 1437 1434 1443 9 1431 1425 1434 12 1428 1425 1431 10 1428 1425 1434 12 1425 1434 1437 12 1425 1434 1440 12 1422 1419 1425 15 1422 1419 1452 16 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1629 1626 1635 9 1623 1617 1626 12 1620 1617 1623 10 1620 1617 1626 12 1617 1626 1629 12 1617 1626 1632 12 1614 1611 1617 15 1614 1611 1644 16 1611 1617 1620 17 1611 1617 1623 17 1608 1605 1611 21 1605 1611 1614 22 1674 1680 1683 2 1674 1680 1686 2 1668 1662 1671 5 1665 1662 1668 5 1665 1662 1671 5 1659 1656 1662 57 1659 1656 1674 16 1656 1662 1665 58 1656 1662 1668 58 1656 1662 1671 58 1653 1650 1656 21 1650 1656 1659 22 1683 1680 1686 47 1701 1707 1710 2 1698 1692 1701 4 1695 1692 1698 5 1695 1692 1701 4 1689 1692 1695 5 1689 1692 1698 5 1689 1692 1701 4 1767 1773 1776 2 1761 1755 1764 33 1758 1755 1761 33 1758 1755 1764 33 1752 1746 1755 34 1749 1746 1752 35 1749 1746 1755 34 1746 1755 1758 36 1746 1755 1761 36 1746 1755 1764 36 1743 1737 1746 37 1740 1737 1743 38 1740 1737 1746 37 1737 1746 1749 39 1737 1746 1752 39 1734 1728 1737 37 1731 1728 1734 38 1731 1728 1737 37 1728 1737 1740 37 1728 1737 1743 37 1725 1719 1728 37 1722 1719 1725 38 1722 1719 1728 37 1719 1728 1731 37 1719 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3186 3192 37 3174 3171 3177 43 3174 3171 3225 16 3171 3177 3180 44 3171 3177 3183 44 3168 3165 3171 21 3165 3171 3174 22 3291 3297 3300 2 3285 3279 3288 33 3282 3279 3285 33 3282 3279 3288 33 3276 3270 3279 34 3273 3270 3276 35 3273 3270 3279 34 3270 3279 3282 36 3270 3279 3285 36 3270 3279 3288 36 3267 3261 3270 37 3264 3261 3267 38 3264 3261 3270 37 3261 3270 3273 39 3261 3270 3276 39 3258 3252 3261 37 3255 3252 3258 38 3255 3252 3261 37 3252 3261 3264 37 3252 3261 3267 37 3249 3243 3252 37 3246 3243 3249 38 3246 3243 3252 37 3243 3252 3255 37 3243 3252 3258 37 3240 3237 3243 43 3240 3237 3291 16 3237 3243 3246 44 3237 3243 3249 44 3234 3231 3237 21 3231 3237 3240 22 3333 3339 3342 2 3327 3324 3330 47 3318 3324 3327 2 3318 3324 3330 2 3315 3309 3318 48 3312 3309 3315 10 3312 3309 3318 48 3306 3303 3309 15 3306 3303 3333 16 3303 3309 3312 17 3303 3309 3315 17 3300 3297 3303 21 3297 3303 3306 22 3363 3369 3372 2 3357 3351 3360 5 3354 3351 3357 5 3354 3351 3360 5 3348 3345 3351 57 3348 3345 3363 16 3345 3351 3354 58 3345 3351 3357 58 3345 3351 3360 58 3342 3339 3345 21 3339 3345 3348 22 3408 3414 3417 2 3396 3390 3399 9 3393 3390 3396 10 3393 3390 3399 9 3387 3381 3390 12 3384 3381 3387 10 3384 3381 3390 12 3381 3390 3393 12 3381 3390 3396 12 3378 3375 3381 15 3378 3375 3408 16 3375 3381 3384 17 3375 3381 3387 17 3372 3369 3375 21 3369 3375 3378 22 3438 3444 3447 2 3432 3426 3435 132 3429 3426 3432 133 3429 3426 3435 132 3423 3420 3426 15 3423 3420 3438 16 3420 3426 3429 134 3420 3426 3432 134 3417 3414 3420 21 3414 3420 3423 22 3504 3510 3513 2 3498 3492 3501 33 3495 3492 3498 33 3495 3492 3501 33 3489 3483 3492 34 3486 3483 3489 35 3486 3483 3492 34 3483 3492 3495 36 3483 3492 3498 36 3483 3492 3501 36 3480 3474 3483 37 3477 3474 3480 38 3477 3474 3483 37 3474 3483 3486 39 3474 3483 3489 39 3471 3465 3474 37 3468 3465 3471 38 3468 3465 3474 37 3465 3474 3477 37 3465 3474 3480 37 3462 3456 3465 37 3459 3456 3462 38 3459 3456 3465 37 3456 3465 3468 37 3456 3465 3471 37 3453 3450 3456 43 3453 3450 3504 16 3450 3456 3459 44 3450 3456 3462 44 3447 3444 3450 21 3444 3450 3453 22 3534 3540 3543 2 3534 3540 3546 2 3528 3522 3531 5 3525 3522 3528 5 3525 3522 3531 5 3519 3516 3522 57 3519 3516 3534 16 3516 3522 3525 58 3516 3522 3528 58 3516 3522 3531 58 3513 3510 3516 21 3510 3516 3519 22 3543 3540 3546 47 3636 3630 3639 144 3633 3630 3636 145 3633 3630 3639 144 3627 3621 3630 147 3624 3621 3627 145 3624 3621 3630 147 3621 3630 3633 147 3621 3630 3636 147 3618 3621 3624 149 3618 3621 3627 149 3615 3609 3618 149 3612 3609 3615 145 3612 3609 3618 149 3606 3600 3609 147 3603 3600 3606 145 3603 3600 3609 147 3600 3609 3612 147 3600 3609 3615 147 3597 3600 3603 149 3597 3600 3606 149 3594 3588 3597 149 3591 3588 3594 145 3591 3588 3597 149 3585 3579 3588 147 3582 3579 3585 145 3582 3579 3588 147 3579 3588 3591 147 3579 3588 3594 147 3576 3579 3582 149 3576 3579 3585 149 3573 3567 3576 149 3570 3567 3573 145 3570 3567 3576 149 3564 3558 3567 147 3561 3558 3564 145 3561 3558 3567 147 3558 3567 3570 147 3558 3567 3573 147 3555 3558 3561 144 3555 3558 3564 144 %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 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1080 1086 8 1071 1080 1083 11 1071 1080 1086 11 1062 1056 1089 13 1062 1071 1080 14 1056 1062 1071 18 1056 1089 1092 19 1056 1089 1095 20 1050 1056 1062 23 1050 1056 1089 24 1140 1137 1143 1 1137 1143 1149 3 1113 1107 1125 25 1107 1101 1137 27 1101 1107 1113 31 1101 1107 1125 31 1101 1137 1140 19 1101 1137 1143 20 1095 1101 1107 32 1095 1101 1137 24 1170 1167 1173 1 1167 1173 1179 3 1155 1149 1167 56 1149 1167 1170 19 1149 1167 1173 20 1143 1149 1155 59 1143 1149 1167 24 1242 1239 1245 1 1239 1245 1251 3 1221 1218 1230 123 1212 1218 1221 123 1212 1218 1230 123 1203 1212 1218 128 1194 1203 1212 130 1185 1179 1239 42 1185 1194 1203 41 1179 1185 1194 45 1179 1239 1242 19 1179 1239 1245 20 1173 1179 1185 46 1173 1179 1239 24 1299 1296 1302 1 1296 1302 1308 3 1272 1266 1284 25 1257 1251 1296 13 1257 1266 1272 54 1257 1266 1284 54 1251 1257 1266 55 1251 1296 1299 19 1251 1296 1302 20 1245 1251 1257 23 1245 1251 1296 24 1344 1341 1347 1 1341 1347 1353 3 1335 1332 1338 8 1323 1332 1335 11 1323 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40 2112 2121 2130 41 2103 2097 2151 42 2103 2112 2121 41 2097 2103 2112 45 2097 2151 2154 19 2097 2151 2157 20 2091 2097 2103 46 2091 2097 2151 24 2202 2199 2205 1 2199 2205 2211 3 2175 2169 2187 25 2169 2163 2199 27 2163 2169 2175 31 2163 2169 2187 31 2163 2199 2202 19 2163 2199 2205 20 2157 2163 2169 32 2157 2163 2199 24 2247 2244 2250 1 2244 2250 2256 3 2238 2235 2241 8 2226 2235 2238 11 2226 2235 2241 11 2217 2211 2244 13 2217 2226 2235 14 2211 2217 2226 18 2211 2244 2247 19 2211 2244 2250 20 2205 2211 2217 23 2205 2211 2244 24 2292 2289 2295 1 2289 2295 2301 3 2283 2280 2286 8 2271 2280 2283 11 2271 2280 2286 11 2262 2256 2289 13 2262 2271 2280 14 2256 2262 2271 18 2256 2289 2292 19 2256 2289 2295 20 2250 2256 2262 23 2250 2256 2289 24 2349 2346 2352 1 2346 2352 2358 3 2322 2316 2334 25 2307 2301 2346 13 2307 2316 2322 54 2307 2316 2334 54 2301 2307 2316 55 2301 2346 2349 19 2301 2346 2352 20 2295 2301 2307 23 2295 2301 2346 24 2415 2412 2418 1 2412 2418 2424 3 2382 2391 2400 40 2373 2382 2391 41 2364 2358 2412 42 2364 2373 2382 41 2358 2364 2373 45 2358 2412 2415 19 2358 2412 2418 20 2352 2358 2364 46 2352 2358 2412 24 2448 2445 2451 1 2445 2451 2457 3 2430 2424 2445 13 2424 2430 2439 138 2424 2445 2448 19 2424 2445 2451 20 2418 2424 2430 23 2418 2424 2445 24 2514 2511 2517 1 2511 2517 2523 3 2481 2490 2499 40 2472 2481 2490 41 2463 2457 2511 42 2463 2472 2481 41 2457 2463 2472 45 2457 2511 2514 19 2457 2511 2517 20 2451 2457 2463 46 2451 2457 2511 24 2571 2568 2574 1 2568 2574 2586 60 2544 2538 2556 25 2529 2523 2568 13 2529 2538 2544 54 2529 2538 2556 54 2523 2529 2538 55 2523 2568 2571 19 2523 2568 2574 20 2517 2523 2529 23 2517 2523 2568 24 2604 2601 3645 139 2604 3639 3630 64 2604 3639 3642 140 2601 2604 3639 66 2601 3645 3642 141 2592 2601 2604 70 2592 2601 3645 142 2586 2580 2610 73 2586 2592 2601 75 2583 2580 2586 76 2583 2580 2610 1 2580 2586 2592 78 2580 2610 2616 3 2574 2586 2580 80 2574 2586 2592 82 2658 2655 2661 1 2655 2661 2667 3 2640 2646 2649 108 2634 2631 2649 110 2634 2640 2646 112 2631 2634 2640 114 2631 2649 2646 115 2622 2616 2655 56 2622 2631 2634 118 2622 2631 2649 119 2616 2622 2631 120 2616 2655 2658 19 2616 2655 2661 20 2610 2616 2622 59 2610 2616 2655 24 2715 2712 2718 1 2712 2718 2724 3 2688 2682 2700 25 2673 2667 2712 13 2673 2682 2688 54 2673 2682 2700 54 2667 2673 2682 55 2667 2712 2715 19 2667 2712 2718 20 2661 2667 2673 23 2661 2667 2712 24 2781 2778 2784 1 2778 2784 2790 3 2748 2757 2766 40 2739 2748 2757 41 2730 2724 2778 42 2730 2739 2748 41 2724 2730 2739 45 2724 2778 2781 19 2724 2778 2784 20 2718 2724 2730 46 2718 2724 2778 24 2823 2820 2826 1 2820 2826 2832 3 2808 2805 2811 1 2796 2790 2820 13 2796 2805 2808 49 2796 2805 2811 50 2790 2796 2805 121 2790 2820 2823 19 2790 2820 2826 20 2784 2790 2796 23 2784 2790 2820 24 2889 2886 2892 1 2886 2892 2898 3 2856 2865 2874 40 2847 2856 2865 41 2838 2832 2886 42 2838 2847 2856 41 2832 2838 2847 45 2832 2886 2889 19 2832 2886 2892 20 2826 2832 2838 46 2826 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3204 3213 40 3186 3195 3204 41 3177 3171 3225 42 3177 3186 3195 41 3171 3177 3186 45 3171 3225 3228 19 3171 3225 3231 20 3165 3171 3177 46 3165 3171 3225 24 3294 3291 3297 1 3291 3297 3303 3 3261 3270 3279 40 3252 3261 3270 41 3243 3237 3291 42 3243 3252 3261 41 3237 3243 3252 45 3237 3291 3294 19 3237 3291 3297 20 3231 3237 3243 46 3231 3237 3291 24 3336 3333 3339 1 3333 3339 3345 3 3321 3318 3324 1 3309 3303 3333 13 3309 3318 3321 49 3309 3318 3324 50 3303 3309 3318 121 3303 3333 3336 19 3303 3333 3339 20 3297 3303 3309 23 3297 3303 3333 24 3366 3363 3369 1 3363 3369 3375 3 3351 3345 3363 56 3345 3363 3366 19 3345 3363 3369 20 3339 3345 3351 59 3339 3345 3363 24 3411 3408 3414 1 3408 3414 3420 3 3402 3399 3405 8 3390 3399 3402 11 3390 3399 3405 11 3381 3375 3408 13 3381 3390 3399 14 3375 3381 3390 18 3375 3408 3411 19 3375 3408 3414 20 3369 3375 3381 23 3369 3375 3408 24 3441 3438 3444 1 3438 3444 3450 3 3426 3420 3438 13 3420 3426 3435 135 3420 3438 3441 19 3420 3438 3444 20 3414 3420 3426 23 3414 3420 3438 24 3507 3504 3510 1 3504 3510 3516 3 3474 3483 3492 40 3465 3474 3483 41 3456 3450 3504 42 3456 3465 3474 41 3450 3456 3465 45 3450 3504 3507 19 3450 3504 3510 20 3444 3450 3456 46 3444 3450 3504 24 3537 3534 3540 1 3522 3516 3534 56 3516 3534 3537 19 3516 3534 3540 20 3510 3516 3522 59 3510 3516 3534 24 3639 3642 3645 143 3630 3639 3642 146 3621 3630 3639 148 3618 3621 3630 150 3609 3618 3621 151 3600 3609 3618 150 3597 3600 3609 150 3588 3597 3600 151 3579 3588 3597 150 3576 3579 3588 150 3567 3576 3579 151 3558 3567 3576 150 3555 3558 3567 148 3552 3555 3558 152 3549 3552 3555 153 %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 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751 742 743 744 745 746 749 743 744 745 746 749 744 745 746 747 748 749 745 746 747 748 746 747 748 747 748 748 0 750 751 752 753 754 755 764 751 752 753 752 753 754 755 756 757 758 764 765 766 753 754 755 764 754 755 756 757 758 759 760 761 764 765 766 767 768 755 756 757 758 764 765 766 756 757 758 759 760 761 762 763 764 765 766 757 758 759 760 761 764 758 759 760 761 764 759 760 761 762 763 764 760 761 762 763 761 762 763 762 763 763 0 765 766 767 768 769 770 783 766 767 768 767 768 769 770 771 772 773 783 784 785 768 769 770 783 769 770 771 772 773 774 775 779 783 784 785 786 787 770 771 772 773 783 784 785 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 772 773 774 775 779 783 773 774 775 779 783 774 775 776 777 778 779 780 781 782 783 775 776 777 778 779 780 781 782 776 777 778 779 780 781 782 777 778 779 778 779 779 780 781 782 781 782 782 0 784 785 786 787 788 789 805 785 786 787 786 787 788 789 790 791 792 805 806 807 787 788 789 805 788 789 790 791 792 793 794 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832 833 834 831 832 833 834 832 833 834 835 836 837 833 834 835 836 837 834 835 836 837 835 836 837 836 837 837 0 839 840 841 842 843 844 857 840 841 842 841 842 843 844 845 846 847 857 858 859 842 843 844 857 843 844 845 846 847 848 849 853 857 858 859 860 863 844 845 846 847 857 858 859 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 846 847 848 849 853 857 847 848 849 853 857 848 849 850 851 852 853 854 855 856 857 849 850 851 852 853 854 855 856 850 851 852 853 854 855 856 851 852 853 852 853 853 854 855 856 855 856 856 0 858 859 860 861 863 864 865 859 860 863 860 861 862 863 864 865 866 867 868 871 861 863 864 865 862 863 864 865 866 867 868 871 872 873 874 875 886 863 864 865 871 872 873 864 865 866 867 868 869 871 872 873 1216 865 866 867 868 871 866 867 868 869 870 871 1214 1215 1216 867 868 869 1216 868 869 1216 869 870 1211 1214 1215 1216 870 1208 1211 1212 1213 1214 1215 1216 1211 1214 1215 1216 872 873 874 875 876 877 878 886 887 888 873 874 875 886 874 875 876 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1116 1117 1118 1119 1120 1121 1122 1123 1124 1116 1117 1118 1122 1117 1118 1119 1120 1121 1122 1123 1124 1125 1126 1118 1119 1120 1121 1122 1123 1124 1119 1120 1121 1122 1123 1124 1120 1121 1122 1121 1122 1122 1123 1124 1125 1126 1127 1128 1137 1124 1125 1126 1125 1126 1127 1128 1129 1130 1131 1137 1138 1139 1126 1127 1128 1137 1127 1128 1129 1130 1131 1132 1133 1134 1137 1138 1139 1140 1141 1128 1129 1130 1131 1137 1138 1139 1129 1130 1131 1132 1133 1134 1135 1136 1137 1138 1139 1130 1131 1132 1133 1134 1137 1131 1132 1133 1134 1137 1132 1133 1134 1135 1136 1137 1133 1134 1135 1136 1134 1135 1136 1135 1136 1136 0 1138 1139 1140 1141 1142 1143 1147 1139 1140 1141 1140 1141 1142 1143 1144 1145 1146 1147 1148 1149 1141 1142 1143 1147 1142 1143 1144 1145 1146 1147 1148 1149 1150 1151 1143 1144 1145 1146 1147 1148 1149 1144 1145 1146 1147 1148 1149 1145 1146 1147 1146 1147 1147 1148 1149 1150 1151 1152 1153 1169 1149 1150 1151 1150 1151 1152 1153 1154 1155 1156 1169 1170 1171 1151 1152 1153 1169 1152 1153 1154 1155 1156 1157 1158 1159 1169 1170 1171 1172 1173 1153 1154 1155 1156 1169 1170 1171 1154 1155 1156 1157 1158 1159 1160 1161 1162 1169 1170 1171 1155 1156 1157 1158 1159 1169 1156 1157 1158 1159 1169 1157 1158 1159 1160 1161 1162 1163 1164 1165 1169 1158 1159 1160 1161 1162 1159 1160 1161 1162 1160 1161 1162 1163 1164 1165 1166 1167 1168 1161 1162 1163 1164 1165 1162 1163 1164 1165 1163 1164 1165 1166 1167 1168 1164 1165 1166 1167 1168 1165 1166 1167 1168 1166 1167 1168 1167 1168 1168 0 1170 1171 1172 1173 1174 1175 1179 1171 1172 1173 1172 1173 1174 1175 1176 1177 1178 1179 1180 1181 1173 1174 1175 1179 1174 1175 1176 1177 1178 1179 1180 1181 1182 1183 1175 1176 1177 1178 1179 1180 1181 1176 1177 1178 1179 1180 1181 1177 1178 1179 1178 1179 1179 1180 1181 1182 1183 1181 1182 1183 1182 1183 1183 0 1185 1186 1187 1186 1187 1188 1189 1190 1187 1188 1189 1190 1191 1192 1193 1188 1189 1190 1191 1192 1193 1194 1189 1190 1191 1192 1193 1190 1191 1192 1193 1191 1192 1193 1194 1195 1196 1197 1192 1193 1194 1193 1194 1194 1195 1196 1197 1198 1199 1200 1195 1196 1197 1198 1199 1200 1201 1196 1197 1198 1199 1200 1197 1198 1199 1200 1198 1199 1200 1201 1202 1203 1204 1199 1200 1201 1200 1201 1201 1202 1203 1204 1205 1206 1207 1202 1203 1204 1205 1206 1207 1208 1203 1204 1205 1206 1207 1204 1205 1206 1207 1205 1206 1207 1208 1209 1210 1211 1206 1207 1208 1207 1208 1208 1209 1210 1211 1212 1213 1214 1209 1210 1211 1212 1213 1214 1215 1210 1211 1212 1213 1214 1211 1212 1213 1214 1212 1213 1214 1215 1216 1213 1214 1215 1214 1215 1215 1216 1216 0 %FLAG HBOND_ACOEF %FORMAT(5E16.8) %FLAG HBOND_BCOEF %FORMAT(5E16.8) %FLAG HBCUT %FORMAT(5E16.8) %FLAG AMBER_ATOM_TYPE %FORMAT(20a4) HC CT HC HC C O N H XC H1 2C HC HC 2C HC HC CO O2 O2 C O N H XC H1 3C HC CT HC HC HC CT HC HC HC C O N H XC H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H XC H1 2C HC HC 2C HC HC C O N H H C O N H XC H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H XC H1 2C HC HC 2C HC HC CO O2 O2 C O N H XC H1 CT HC HC HC C O N H XC H1 2C HC HC 2C HC HC CO O2 O2 C O N H XC H1 3C HC CT HC HC HC CT HC HC HC C O N H XC H1 2C HC HC 2C HC HC CO O2 O2 C O N H XC H1 2C HC HC 2C HC HC CO O2 O2 C O N H XC H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H XC H1 2C HC HC 2C HC HC CO O2 O2 C O N H C O CX HC c3 hc hc cc cd h4 N H XC H1 2C HC HC 2C HC HC CO O2 O2 C O N H XC H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H XC H1 CT HC HC C* CW H4 NA H CN CA HA CA HA CA HA CA HA CB C O N H XC H1 CT HC HC CC NA H CR H5 NB CV H4 C O N H XC H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H XC H1 2C HC HC 2C HC HC CO O2 O2 C O N H XC H1 2C HC HC C O N H H C O N H XC H1 2C HC HC 2C HC HC CO O2 O2 C O N H XC H1 3C HC CT HC HC HC CT HC HC HC C O N H XC H1 CT HC HC HC C O N H XC H1 C8 HC HC C8 HC HC C8 H1 H1 N2 H CA N2 H H N2 H H C O N H XC H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H XC H1 2C HC HC 2C HC HC CO O2 O2 C O N H XC H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H XC H1 2C HC HC 2C HC HC CO O2 O2 C O N H XC H1 2C HC HC C O N H H C O N H XC H1 CT HC HC HC C O N H XC H1 2C HC HC 2C HC HC CO O2 O2 C O N H XC H1 2C H1 H1 S C O N H XC H1 2C HC HC 2C HC HC CO O2 O2 C O N H XC H1 CT HC HC HC C O N H H HC CT HC HC C O N H XC H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H XC H1 3C HC CT HC HC HC CT HC HC HC C O N H XC H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H XC H1 2C HC HC 2C HC HC C O N H H C O N H XC H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H XC H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H XC H1 CT HC HC HC C O N H XC H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H XC H1 3C HC CT HC HC HC CT HC HC HC C O N H XC H1 2C HC HC 2C HC HC CO O2 O2 C O N H XC H1 2C HC HC 2C HC HC CO O2 O2 C O N H XC H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H XC H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H XC H1 2C H1 H1 OH HO C O N H XC H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H XC H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H C O CX HC c3 hc hc cc cd h4 N H XC H1 CT HC HC CC NA H CR H5 NB CV H4 C O N H XC H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H XC H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H XC H1 2C HC HC C O N H H C O N H XC H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H XC H1 3C HC CT HC HC HC CT HC HC HC C O N H XC H1 CT HC HC HC C O N H XC H1 C8 HC HC C8 HC HC C8 H1 H1 N2 H CA N2 H H N2 H H C O N H XC H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H XC H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H XC H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H XC H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H XC H1 2C HC HC C O N H H C O N H XC H1 CT HC HC HC C O N H XC H1 2C HC HC 2C HC HC CO O2 O2 C O N H XC H1 2C H1 H1 S C O N H XC H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H XC H1 CT HC HC HC C O N H H nc nd na c3 h1 h1 c3 h1 h1 os c3 h1 h1 c3 h1 h1 os c3 h1 h1 c3 h1 h1 os c3 h1 h1 c3 h1 h1 na nc nd %FLAG TREE_CHAIN_CLASSIFICATION %FORMAT(20a4) M M E E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E E 3 E E B E B E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E E E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E E B E E M E M E M E M E 3 E E S S E M E M E 3 E E 3 E E B E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E B B E B E S B E B E B E S E E M E M E M E 3 E E B S E S E S B E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E E B E B E E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E E E M E M E M E 3 E E 3 E E 3 E E B E B B E E B E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E E B E B E E M E M E M E 3 E E E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E E E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E E E M E M E E M M E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E E 3 E E B E B E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E E S E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E M E 3 E E S S E M E M E 3 E E B S E S E S B E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E E B E B E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E 3 E E E 3 E E E M E M E M E 3 E E E M E M E M E 3 E E 3 E E 3 E E B E B B E E B E E M E M E M E 3 E E 3 E 3 E E E 3 E E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E E B E B E E M E M E M E 3 E E E M E M E M E 3 E E 3 E E B E E M E M E M E 3 E E E M E M E M E 3 E E 3 E E 3 E E 3 E E 3 E E E M E M E M E 3 E E E M E M E E BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA %FLAG JOIN_ARRAY %FORMAT(10I8) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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%FLAG IROTAT %FORMAT(10I8) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 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 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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 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-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 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 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 8.50000000E-01 7.90000000E-01 7.90000000E-01 7.90000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.90000000E-01 7.90000000E-01 7.90000000E-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 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0.34980 0.80606 3.51232 4.99828 4.80914 4.31055 4.37295 4.30355 4.04915 3.52690 3.41394 4.00207 4.09442 3.16854 2.05769 2.78296 2.71837 4.43302 5.46988 4.59448 3.64453 2.58572 1.59115 1.31727 1.85098 2.64557 5.56338 4.21386 3.22014 2.77185 2.80313 3.21466 4.02670 4.42856 5.08370 5.19053 3.27785 2.31893 1.89422 1.42676 2.95008 4.44532 3.67152 3.04403 2.75614 2.70247 2.62307 3.02137 3.65366 4.58389 4.19824 2.95958 1.99833 1.45775 1.80759 3.16653 4.55726 5.78814 6.03607 4.22652 2.51152 1.68622 1.58984 2.43734 3.59714 3.11592 2.30052 2.23543 2.77920 3.42292 3.89334 4.38013 4.93113 5.21742 2.20011 1.37575 0.75298 0.55181 1.60046 3.58555 5.46227 6.17325 5.21747 3.97559 2.76414 2.33481 2.42900 2.87308 2.49415 1.47074 1.33585 2.11863 3.29140 4.17771 4.69101 4.92810 4.43299 3.29531 0.90641 0.36791 0.10648 0.26619 1.73548 3.83851 5.15676 5.11238 4.64480 3.76087 2.96967 2.57195 2.28083 1.69762 0.83326 0.38814 1.05475 2.15027 3.31850 3.93236 3.89136 3.47369 2.72668 1.69835 0.33654 0.00368 -0.20632 0.09622 1.63346 3.20389 3.88031 3.91033 3.70008 3.15607 2.43471 1.79430 1.15107 0.14778 0.48052 0.00924 1.08623 2.05404 2.67258 2.87521 2.57356 2.02970 1.46136 0.80609 -0.04987 -0.13277 -0.24655 0.08117 1.15244 2.09850 2.53905 2.58325 2.53770 2.09647 1.39864 0.64954 -0.46411 -1.11627 -0.84486 0.12020 1.22694 1.62904 1.55356 1.45507 1.16157 1.10860 0.79598 0.05990 -0.15375 -0.00220 0.01459 0.11114 0.62857 1.22726 2.05881 1.44997 1.30142 0.92229 0.25203 -0.73378 -1.53780 -1.61106 -0.84356 0.24043 1.07483 1.10302 0.74349 0.46587 0.10521 -0.12181 -0.30694 -0.31669 0.00410 -0.05892 -0.18787 -0.18506 0.30108 0.97022 1.38708 1.48251 1.22445 0.68072 -0.39113 -1.36041 -1.82139 -1.63875 -0.81681 0.24622 0.99223 0.97274 0.59573 0.22778 -0.09081 -0.20432 -0.23270 -0.08277 0.06378 -0.07461 -0.33040 -0.36478 0.14595 0.93179 1.60772 1.75795 1.39279 0.56420 -0.43150 -1.29763 -1.75715 -1.60136 -0.74274 0.42793 1.02604 1.11187 0.91499 0.58424 0.28651 0.15969 0.20407 0.21399 -0.43863 -0.57788 -0.58016 -0.41995 0.08982 0.90543 1.75666 2.13749 2.12396 0.65682 -0.34460 -0.95593 -1.47256 -0.92681 -0.32507 0.99991 1.88768 1.20699 1.08865 0.75558 0.48912 0.24563 0.29063 0.01788 -1.10788 -1.26535 -0.20724 -0.53678 0.02619 0.97507 1.91629 2.37071 1.95717 0.89479 -0.05509 -0.58401 -0.97055 -0.58431 0.82340 0.87215 0.89673 1.04971 1.09440 0.88350 0.57490 0.01616 -0.33219 -0.69616 -1.63971 -1.86210 -0.71883 -0.56492 -0.00834 1.12341 2.13866 2.59185 2.12253 1.13628 0.18730 -0.36656 -0.29347 -0.82661 -0.84811 -0.17022 0.38891 0.77772 0.91377 0.56968 -0.00905 -0.68852 -1.10739 -1.35481 %FLAG CMAP_INDEX %FORMAT(6I8) 5 7 9 20 22 5 20 22 24 36 38 3 36 38 40 58 60 7 58 60 62 75 77 9 75 77 79 94 96 8 94 96 98 109 111 5 109 111 113 119 121 1 119 121 123 134 136 5 134 136 138 150 152 3 150 152 154 165 167 5 165 167 169 180 182 5 180 182 184 199 201 8 199 201 203 214 216 5 218 228 230 241 243 5 241 243 245 260 262 8 260 262 264 284 286 8 284 286 288 301 303 8 301 303 305 320 322 8 320 322 324 335 337 5 335 337 339 349 351 4 349 351 353 364 366 5 364 366 368 380 382 3 380 382 384 390 392 1 390 392 394 414 416 6 414 416 418 433 435 8 433 435 437 448 450 5 448 450 452 470 472 7 470 472 474 485 487 5 485 487 489 499 501 4 499 501 503 509 511 1 509 511 513 524 526 5 524 526 528 534 536 8 534 536 538 549 551 5 549 551 553 559 561 1 568 570 572 590 592 7 590 592 594 606 608 3 606 608 610 628 630 7 628 630 632 645 647 9 645 647 649 664 666 8 664 666 668 686 688 7 686 688 690 696 698 1 696 698 700 718 720 7 718 720 722 734 736 3 734 736 738 749 751 5 749 751 753 764 766 5 764 766 768 783 785 8 783 785 787 805 807 7 805 807 809 816 818 2 816 818 820 838 840 7 838 840 842 857 859 8 861 871 873 886 888 8 886 888 890 905 907 8 905 907 909 927 929 7 927 929 931 941 943 4 941 943 945 963 965 7 963 965 967 979 981 3 979 981 983 989 991 1 989 991 993 1013 1015 6 1013 1015 1017 1032 1034 8 1032 1034 1036 1054 1056 7 1054 1056 1058 1076 1078 7 1076 1078 1080 1098 1100 7 1098 1100 1102 1112 1114 4 1112 1114 1116 1122 1124 1 1122 1124 1126 1137 1139 5 1137 1139 1141 1147 1149 8 1147 1149 1151 1169 1171 7 1169 1171 1173 1179 1181 1