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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 3 4 12 1 12 1 1 3 3 13 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 14 15 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 16 11 6 8 8 17 8 17 8 17 8 17 8 3 4 5 6 2 7 2 1 1 8 11 6 8 18 11 8 16 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 19 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 3 4 12 1 12 1 1 3 3 13 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 14 15 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 16 11 6 8 8 17 8 17 8 17 8 17 8 3 4 5 6 2 7 2 1 1 8 11 6 8 18 11 8 16 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 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 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 6 10 5 9 4 3 6 8 4 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 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 6 10 5 9 4 3 6 8 4 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 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 PRB ALA GLU VAL GLU GLU LEU GLU SER GLU LEU TRP HID LEU GLU ASN GLU VAL ALA ARG LEU GLU LYS GLU ASN ALA GLU CYX GLU ALA NHE ACE PRB 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 ALA GLU CYX LYS ALA NHE PZ4 %FLAG RESIDUE_POINTER %FORMAT(10I8) 1 7 22 38 60 77 96 108 118 133 149 164 179 198 213 224 239 258 282 299 318 333 347 362 378 388 412 431 446 468 483 497 507 522 532 547 557 560 566 578 594 616 633 652 674 684 706 722 737 752 771 793 804 826 845 869 886 905 927 941 963 979 989 1013 1032 1054 1076 1098 1112 1122 1137 1147 1169 1179 1182 %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 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 3.10000000E+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 1.66000000E+02 2.27000000E+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 1.08200000E+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 1.52600000E+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 2.03800000E+00 1.81000000E+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 5.00000000E+01 4.00000000E+01 4.00000000E+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 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 6.80000000E+01 5.00000000E+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 2.12755727E+00 1.91113635E+00 1.91113635E+00 1.91113635E+00 1.91113635E+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 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 1.80990721E+00 1.91113635E+00 2.00189351E+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 2.70000000E-01 4.20000000E-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 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 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 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 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 2.00000000E+00 3.00000000E+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 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 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 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 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 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 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 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 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 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 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 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 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 7.10513128E+04 4.14474284E+03 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 8.50294791E+04 5.11317150E+03 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 5.92092559E+04 3.34719214E+03 4.09427581E+04 0.00000000E+00 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 1.62294350E+06 0.00000000E+00 1.50723105E+05 1.79659945E+05 1.26117560E+05 4.26366419E+06 9.11435380E+04 9.41257953E+05 7.69642101E+05 5.74782316E+05 7.76656876E+05 2.01475241E+03 6.09861363E+04 8.34543970E+05 5.83493927E+05 2.03696482E+04 8.97750460E+05 9.31115275E+05 7.05112106E+04 7.13267446E+05 0.00000000E+00 6.45801516E+04 7.73168790E+04 5.37939286E+04 1.90820499E+06 8.49322032E+05 9.33839501E+04 1.00713741E+06 8.20152428E+05 6.04208667E+05 8.22085792E+05 1.82491629E+03 6.19803600E+04 8.92954421E+05 6.10454299E+05 1.99671374E+04 9.53586341E+05 9.96191545E+05 7.19580450E+04 7.50514003E+05 0.00000000E+00 6.57976999E+04 7.92148074E+04 5.44940453E+04 2.05449504E+06 9.08092643E+05 9.62429652E+05 5.22955465E+03 7.06006146E+04 5.63013422E+04 3.86646725E+04 5.45183252E+04 5.24570081E+01 3.32626784E+03 6.25963552E+04 3.81142515E+04 8.84544347E+02 6.43853349E+04 6.97998263E+04 3.94664935E+03 4.82692694E+04 0.00000000E+00 3.57795711E+03 4.43530964E+03 2.87505342E+03 1.48672098E+05 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 4.06752008E+05 0.00000000E+00 3.53289728E+04 4.26018274E+04 2.92109361E+04 1.12086734E+06 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 1.36896727E+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 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 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 1.05648788E+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 1.16947855E+02 1.78280753E+01 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 9.75893223E+01 1.44244612E+01 9.59185913E+01 0.00000000E+00 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 1.25793819E+03 0.00000000E+00 1.98088334E+02 2.16269171E+02 1.81199404E+02 2.19459223E+03 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 6.33599808E+02 0.00000000E+00 9.85144068E+01 1.07792209E+02 8.99118321E+01 1.11546536E+03 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 7.88832443E+02 0.00000000E+00 1.20690226E+02 1.32424984E+02 1.09835130E+02 1.40479403E+03 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 1.13016701E+02 0.00000000E+00 1.58996004E+01 1.77023375E+01 1.42525182E+01 2.13489607E+02 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 4.48425641E+02 0.00000000E+00 6.82892701E+01 7.49896074E+01 6.20954392E+01 8.01230425E+02 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 12 315 318 25 303 306 29 303 309 29 297 300 31 285 288 12 333 336 3 333 339 3 333 342 3 327 330 9 321 324 12 372 375 6 372 378 6 363 366 6 363 369 6 357 360 9 351 354 12 426 429 3 426 432 3 426 435 3 414 417 3 414 420 3 414 423 3 408 411 14 402 405 9 396 399 12 465 468 6 465 471 6 456 459 6 456 462 6 450 453 9 444 447 12 510 513 6 510 516 6 501 504 6 501 507 6 495 498 9 489 492 12 573 576 3 573 579 3 573 582 3 561 564 3 561 567 3 561 570 3 555 558 14 546 549 6 546 552 6 540 543 9 534 537 12 612 615 6 612 618 6 603 606 6 603 609 6 597 600 9 591 594 12 657 660 36 648 651 37 648 654 37 642 645 9 636 639 12 690 693 6 690 696 6 681 684 6 681 687 6 675 678 9 669 672 12 753 756 3 753 759 3 753 762 3 741 744 3 741 747 3 741 750 3 735 738 14 726 729 6 726 732 6 720 723 9 714 717 12 828 831 39 822 825 39 816 819 39 810 813 39 801 804 44 795 798 46 783 786 3 783 789 3 777 780 9 771 774 12 882 885 51 873 876 53 867 870 44 855 858 3 855 861 3 849 852 9 843 846 12 933 936 3 933 939 3 933 942 3 921 924 3 921 927 3 921 930 3 915 918 14 906 909 6 906 912 6 900 903 9 894 897 12 972 975 6 972 978 6 963 966 6 963 969 6 957 960 9 951 954 12 1023 1026 12 1023 1029 12 1008 1011 6 1008 1014 6 1002 1005 9 996 999 12 1059 1062 6 1059 1065 6 1050 1053 6 1050 1056 6 1044 1047 9 1038 1041 12 1113 1116 3 1113 1119 3 1113 1122 3 1101 1104 3 1101 1107 3 1101 1110 3 1095 1098 14 1089 1092 9 1083 1086 12 1143 1146 3 1143 1149 3 1143 1152 3 1137 1140 9 1131 1134 12 1218 1221 59 1218 1224 59 1209 1212 59 1209 1215 59 1200 1203 59 1191 1194 61 1191 1197 61 1182 1185 20 1182 1188 20 1173 1176 20 1173 1179 20 1167 1170 9 1161 1164 12 1272 1275 3 1272 1278 3 1272 1281 3 1260 1263 3 1260 1266 3 1260 1269 3 1254 1257 14 1245 1248 6 1245 1251 6 1239 1242 9 1233 1236 12 1311 1314 6 1311 1317 6 1302 1305 6 1302 1308 6 1296 1299 9 1290 1293 12 1383 1386 17 1383 1389 17 1383 1392 17 1374 1377 18 1374 1380 18 1365 1368 20 1365 1371 20 1356 1359 20 1356 1362 20 1347 1350 20 1347 1353 20 1341 1344 9 1335 1338 12 1422 1425 6 1422 1428 6 1413 1416 6 1413 1419 6 1407 1410 9 1401 1404 12 1473 1476 12 1473 1479 12 1458 1461 6 1458 1464 6 1452 1455 9 1446 1449 12 1500 1503 3 1500 1506 3 1500 1509 3 1494 1497 9 1488 1491 12 1539 1542 6 1539 1545 6 1530 1533 6 1530 1536 6 1524 1527 9 1518 1521 12 1575 1578 37 1575 1581 37 1569 1572 9 1563 1566 12 1614 1617 6 1614 1620 6 1605 1608 6 1605 1611 6 1599 1602 9 1593 1596 12 1650 1653 3 1650 1656 3 1650 1659 3 1644 1647 9 1638 1641 12 1668 1671 12 1668 1674 12 1680 1683 3 1680 1686 3 1677 1680 3 1725 1728 25 1713 1716 29 1713 1719 29 1707 1710 31 1695 1698 12 1761 1764 3 1761 1767 3 1761 1770 3 1749 1752 3 1749 1755 3 1749 1758 3 1743 1746 14 1737 1740 9 1731 1734 12 1827 1830 17 1827 1833 17 1827 1836 17 1818 1821 18 1818 1824 18 1809 1812 20 1809 1815 20 1800 1803 20 1800 1806 20 1791 1794 20 1791 1797 20 1785 1788 9 1779 1782 12 1881 1884 12 1881 1887 12 1866 1869 6 1866 1872 6 1857 1860 6 1857 1863 6 1851 1854 9 1845 1848 12 1935 1938 3 1935 1941 3 1935 1944 3 1923 1926 3 1923 1929 3 1923 1932 3 1917 1920 14 1908 1911 6 1908 1914 6 1902 1905 9 1896 1899 12 2001 2004 17 2001 2007 17 2001 2010 17 1992 1995 18 1992 1998 18 1983 1986 20 1983 1989 20 1974 1977 20 1974 1980 20 1965 1968 20 1965 1971 20 1959 1962 9 1953 1956 12 2031 2034 3 2031 2037 3 2031 2040 3 2025 2028 9 2019 2022 12 2097 2100 17 2097 2103 17 2097 2106 17 2088 2091 18 2088 2094 18 2079 2082 20 2079 2085 20 2070 2073 20 2070 2076 20 2061 2064 20 2061 2067 20 2055 2058 9 2049 2052 12 2145 2148 3 2145 2151 3 2145 2154 3 2133 2136 3 2133 2139 3 2133 2142 3 2127 2130 14 2121 2124 9 2115 2118 12 2184 2187 6 2184 2190 6 2175 2178 6 2175 2181 6 2169 2172 9 2163 2166 12 2229 2232 6 2229 2235 6 2220 2223 6 2220 2226 6 2214 2217 9 2208 2211 12 2292 2295 3 2292 2298 3 2292 2301 3 2280 2283 3 2280 2286 3 2280 2289 3 2274 2277 14 2265 2268 6 2265 2271 6 2259 2262 9 2253 2256 12 2358 2361 17 2358 2364 17 2358 2367 17 2349 2352 18 2349 2355 18 2340 2343 20 2340 2346 20 2331 2334 20 2331 2337 20 2322 2325 20 2322 2328 20 2316 2319 9 2310 2313 12 2397 2400 36 2388 2391 37 2388 2394 37 2382 2385 9 2376 2379 12 2457 2460 17 2457 2463 17 2457 2466 17 2448 2451 18 2448 2454 18 2439 2442 20 2439 2445 20 2430 2433 20 2430 2436 20 2421 2424 20 2421 2427 20 2415 2418 9 2409 2412 12 2514 2517 3 2514 2520 3 2514 2523 3 2502 2505 3 2502 2508 3 2502 2511 3 2496 2499 14 2487 2490 6 2487 2493 6 2481 2484 9 2475 2478 12 2589 2592 39 2583 2586 39 2577 2580 39 2571 2574 39 2562 2565 44 2556 2559 46 2544 2547 3 2544 2550 3 2538 2541 9 2532 2535 12 2643 2646 51 2634 2637 53 2628 2631 44 2616 2619 3 2616 2622 3 2610 2613 9 2604 2607 12 2694 2697 3 2694 2700 3 2694 2703 3 2682 2685 3 2682 2688 3 2682 2691 3 2676 2679 14 2667 2670 6 2667 2673 6 2661 2664 9 2655 2658 12 2760 2763 17 2760 2766 17 2760 2769 17 2751 2754 18 2751 2757 18 2742 2745 20 2742 2748 20 2733 2736 20 2733 2739 20 2724 2727 20 2724 2730 20 2718 2721 9 2712 2715 12 2805 2808 12 2805 2811 12 2790 2793 6 2790 2796 6 2784 2787 9 2778 2781 12 2868 2871 17 2868 2874 17 2868 2877 17 2859 2862 18 2859 2865 18 2850 2853 20 2850 2856 20 2841 2844 20 2841 2847 20 2832 2835 20 2832 2838 20 2826 2829 9 2820 2823 12 2916 2919 3 2916 2922 3 2916 2925 3 2904 2907 3 2904 2910 3 2904 2913 3 2898 2901 14 2892 2895 9 2886 2889 12 2946 2949 3 2946 2952 3 2946 2955 3 2940 2943 9 2934 2937 12 3021 3024 59 3021 3027 59 3012 3015 59 3012 3018 59 3003 3006 59 2994 2997 61 2994 3000 61 2985 2988 20 2985 2991 20 2976 2979 20 2976 2982 20 2970 2973 9 2964 2967 12 3075 3078 3 3075 3081 3 3075 3084 3 3063 3066 3 3063 3069 3 3063 3072 3 3057 3060 14 3048 3051 6 3048 3054 6 3042 3045 9 3036 3039 12 3141 3144 17 3141 3147 17 3141 3150 17 3132 3135 18 3132 3138 18 3123 3126 20 3123 3129 20 3114 3117 20 3114 3120 20 3105 3108 20 3105 3111 20 3099 3102 9 3093 3096 12 3207 3210 17 3207 3213 17 3207 3216 17 3198 3201 18 3198 3204 18 3189 3192 20 3189 3195 20 3180 3183 20 3180 3186 20 3171 3174 20 3171 3177 20 3165 3168 9 3159 3162 12 3273 3276 17 3273 3279 17 3273 3282 17 3264 3267 18 3264 3270 18 3255 3258 20 3255 3261 20 3246 3249 20 3246 3252 20 3237 3240 20 3237 3243 20 3231 3234 9 3225 3228 12 3318 3321 12 3318 3324 12 3303 3306 6 3303 3309 6 3297 3300 9 3291 3294 12 3345 3348 3 3345 3351 3 3345 3354 3 3339 3342 9 3333 3336 12 3384 3387 6 3384 3390 6 3375 3378 6 3375 3381 6 3369 3372 9 3363 3366 12 3420 3423 37 3420 3426 37 3414 3417 9 3408 3411 12 3486 3489 17 3486 3492 17 3486 3495 17 3477 3480 18 3477 3483 18 3468 3471 20 3468 3474 20 3459 3462 20 3459 3465 20 3450 3453 20 3450 3456 20 3444 3447 9 3438 3441 12 3516 3519 3 3516 3522 3 3516 3525 3 3510 3513 9 3504 3507 12 3534 3537 12 3534 3540 12 3624 3627 68 3624 3630 68 3615 3618 68 3615 3621 68 3603 3606 68 3603 3609 68 3594 3597 68 3594 3600 68 3582 3585 68 3582 3588 68 3573 3576 68 3573 3579 68 3561 3564 68 3561 3567 68 3552 3555 68 3552 3558 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 13 315 3549 26 312 315 27 312 3543 28 303 312 30 297 303 32 291 294 1 291 297 33 291 321 2 285 297 34 345 348 1 345 351 2 327 333 35 327 345 11 321 327 13 390 393 1 390 396 2 381 384 5 381 387 5 372 381 7 363 372 8 357 363 10 357 390 11 351 357 13 438 441 1 438 444 2 408 414 15 408 426 15 402 408 16 402 438 11 396 402 13 483 486 1 483 489 2 474 477 5 474 480 5 465 474 7 456 465 8 450 456 10 450 483 11 444 450 13 528 531 1 528 534 2 519 522 5 519 525 5 510 519 7 501 510 8 495 501 10 495 528 11 489 495 13 585 588 1 585 591 2 555 561 15 555 573 15 546 555 24 540 546 10 540 585 11 534 540 13 630 633 1 630 636 2 621 624 5 621 627 5 612 621 7 603 612 8 597 603 10 597 630 11 591 597 13 663 666 1 663 669 2 648 657 38 642 648 10 642 663 11 636 642 13 708 711 1 708 714 2 699 702 5 699 705 5 690 699 7 681 690 8 675 681 10 675 708 11 669 675 13 765 768 1 765 771 2 735 741 15 735 753 15 726 735 24 720 726 10 720 765 11 714 720 13 837 840 1 837 843 2 828 834 40 822 828 41 816 822 41 810 816 41 807 810 42 807 834 43 801 807 45 795 801 47 792 795 48 792 834 49 783 792 50 777 783 35 777 837 11 771 777 13 888 891 1 888 894 2 879 882 52 873 879 54 867 873 55 864 867 56 864 882 57 855 864 58 849 855 35 849 888 11 843 849 13 945 948 1 945 951 2 915 921 15 915 933 15 906 915 24 900 906 10 900 945 11 894 900 13 990 993 1 990 996 2 981 984 5 981 987 5 972 981 7 963 972 8 957 963 10 957 990 11 951 957 13 1032 1035 1 1032 1038 2 1017 1020 1 1017 1023 2 1008 1017 23 1002 1008 10 1002 1032 11 996 1002 13 1077 1080 1 1077 1083 2 1068 1071 5 1068 1074 5 1059 1068 7 1050 1059 8 1044 1050 10 1044 1077 11 1038 1044 13 1125 1128 1 1125 1131 2 1095 1101 15 1095 1113 15 1089 1095 16 1089 1125 11 1083 1089 13 1155 1158 1 1155 1161 2 1137 1143 35 1137 1155 11 1131 1137 13 1227 1230 1 1227 1233 2 1206 1209 60 1206 1218 60 1200 1206 60 1191 1200 62 1182 1191 21 1173 1182 21 1167 1173 22 1167 1227 11 1161 1167 13 1284 1287 1 1284 1290 2 1254 1260 15 1254 1272 15 1245 1254 24 1239 1245 10 1239 1284 11 1233 1239 13 1329 1332 1 1329 1335 2 1320 1323 5 1320 1326 5 1311 1320 7 1302 1311 8 1296 1302 10 1296 1329 11 1290 1296 13 1395 1398 1 1395 1401 2 1374 1383 19 1365 1374 21 1356 1365 21 1347 1356 21 1341 1347 22 1341 1395 11 1335 1341 13 1440 1443 1 1440 1446 2 1431 1434 5 1431 1437 5 1422 1431 7 1413 1422 8 1407 1413 10 1407 1440 11 1401 1407 13 1482 1485 1 1482 1488 2 1467 1470 1 1467 1473 2 1458 1467 23 1452 1458 10 1452 1482 11 1446 1452 13 1512 1515 1 1512 1518 2 1494 1500 35 1494 1512 11 1488 1494 13 1557 1560 1 1557 1563 2 1548 1551 5 1548 1554 5 1539 1548 7 1530 1539 8 1524 1530 10 1524 1557 11 1518 1524 13 1587 1590 1 1587 1593 2 1584 3429 63 1575 1584 64 1569 1575 10 1569 1587 11 1563 1569 13 1632 1635 1 1632 1638 2 1623 1626 5 1623 1629 5 1614 1623 7 1605 1614 8 1599 1605 10 1599 1632 11 1593 1599 13 1662 1665 1 1662 1668 2 1644 1650 35 1644 1662 11 1638 1644 13 1689 1692 1 1689 1695 2 1680 1689 4 1725 3633 26 1722 1725 27 1722 3639 65 1713 1722 30 1707 1713 32 1701 1704 1 1701 1707 33 1701 1731 2 1695 1707 34 1773 1776 1 1773 1779 2 1743 1749 15 1743 1761 15 1737 1743 16 1737 1773 11 1731 1737 13 1839 1842 1 1839 1845 2 1818 1827 19 1809 1818 21 1800 1809 21 1791 1800 21 1785 1791 22 1785 1839 11 1779 1785 13 1890 1893 1 1890 1896 2 1875 1878 1 1875 1881 2 1866 1875 23 1857 1866 8 1851 1857 10 1851 1890 11 1845 1851 13 1947 1950 1 1947 1953 2 1917 1923 15 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2439 2448 21 2430 2439 21 2421 2430 21 2415 2421 22 2415 2469 11 2409 2415 13 2526 2529 1 2526 2532 2 2496 2502 15 2496 2514 15 2487 2496 24 2481 2487 10 2481 2526 11 2475 2481 13 2598 2601 1 2598 2604 2 2589 2595 40 2583 2589 41 2577 2583 41 2571 2577 41 2568 2571 42 2568 2595 43 2562 2568 45 2556 2562 47 2553 2556 48 2553 2595 49 2544 2553 50 2538 2544 35 2538 2598 11 2532 2538 13 2649 2652 1 2649 2655 2 2640 2643 52 2634 2640 54 2628 2634 55 2625 2628 56 2625 2643 57 2616 2625 58 2610 2616 35 2610 2649 11 2604 2610 13 2706 2709 1 2706 2712 2 2676 2682 15 2676 2694 15 2667 2676 24 2661 2667 10 2661 2706 11 2655 2661 13 2772 2775 1 2772 2778 2 2751 2760 19 2742 2751 21 2733 2742 21 2724 2733 21 2718 2724 22 2718 2772 11 2712 2718 13 2814 2817 1 2814 2820 2 2799 2802 1 2799 2805 2 2790 2799 23 2784 2790 10 2784 2814 11 2778 2784 13 2880 2883 1 2880 2886 2 2859 2868 19 2850 2859 21 2841 2850 21 2832 2841 21 2826 2832 22 2826 2880 11 2820 2826 13 2928 2931 1 2928 2934 2 2898 2904 15 2898 2916 15 2892 2898 16 2892 2928 11 2886 2892 13 2958 2961 1 2958 2964 2 2940 2946 35 2940 2958 11 2934 2940 13 3030 3033 1 3030 3036 2 3009 3012 60 3009 3021 60 3003 3009 60 2994 3003 62 2985 2994 21 2976 2985 21 2970 2976 22 2970 3030 11 2964 2970 13 3087 3090 1 3087 3093 2 3057 3063 15 3057 3075 15 3048 3057 24 3042 3048 10 3042 3087 11 3036 3042 13 3153 3156 1 3153 3159 2 3132 3141 19 3123 3132 21 3114 3123 21 3105 3114 21 3099 3105 22 3099 3153 11 3093 3099 13 3219 3222 1 3219 3225 2 3198 3207 19 3189 3198 21 3180 3189 21 3171 3180 21 3165 3171 22 3165 3219 11 3159 3165 13 3285 3288 1 3285 3291 2 3264 3273 19 3255 3264 21 3246 3255 21 3237 3246 21 3231 3237 22 3231 3285 11 3225 3231 13 3327 3330 1 3327 3333 2 3312 3315 1 3312 3318 2 3303 3312 23 3297 3303 10 3297 3327 11 3291 3297 13 3357 3360 1 3357 3363 2 3339 3345 35 3339 3357 11 3333 3339 13 3402 3405 1 3402 3408 2 3393 3396 5 3393 3399 5 3384 3393 7 3375 3384 8 3369 3375 10 3369 3402 11 3363 3369 13 3432 3435 1 3432 3438 2 3420 3429 64 3414 3420 10 3414 3432 11 3408 3414 13 3498 3501 1 3498 3504 2 3477 3486 19 3468 3477 21 3459 3468 21 3450 3459 21 3444 3450 22 3444 3498 11 3438 3444 13 3528 3531 1 3528 3534 2 3510 3516 35 3510 3528 11 3504 3510 13 3636 3639 66 3633 3636 67 3624 3633 69 3615 3624 70 3612 3615 71 3603 3612 71 3594 3603 70 3591 3594 71 3582 3591 71 3573 3582 70 3570 3573 71 3561 3570 71 3552 3561 70 3549 3552 69 3546 3549 72 3543 3546 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 53 243 240 246 10 243 240 249 53 240 249 252 54 237 234 240 15 237 234 279 16 234 240 243 17 234 240 246 17 231 228 234 21 228 234 237 22 318 315 3549 57 312 315 318 61 309 303 312 64 306 303 309 65 306 303 312 64 300 297 303 68 297 303 306 70 297 303 309 70 291 297 300 73 291 321 324 2 288 285 297 75 285 297 300 77 345 351 354 2 339 333 342 5 336 333 339 5 336 333 342 5 330 327 333 80 330 327 345 16 327 333 336 81 327 333 339 81 327 333 342 81 324 321 327 21 321 327 330 22 390 396 399 2 378 372 381 9 375 372 378 10 375 372 381 9 369 363 372 12 366 363 369 10 366 363 372 12 363 372 375 12 363 372 378 12 360 357 363 15 360 357 390 16 357 363 366 17 357 363 369 17 354 351 357 21 351 357 360 22 438 444 447 2 432 426 435 5 429 426 432 5 429 426 435 5 420 414 423 5 417 414 420 5 417 414 423 5 411 408 414 26 411 408 426 26 408 414 417 28 408 414 420 28 408 414 423 28 408 426 429 28 408 426 432 28 408 426 435 28 405 402 408 29 405 402 438 16 402 408 411 30 399 396 402 21 396 402 405 22 483 489 492 2 471 465 474 9 468 465 471 10 468 465 474 9 462 456 465 12 459 456 462 10 459 456 465 12 456 465 468 12 456 465 471 12 453 450 456 15 453 450 483 16 450 456 459 17 450 456 462 17 447 444 450 21 444 450 453 22 528 534 537 2 516 510 519 9 513 510 516 10 513 510 519 9 507 501 510 12 504 501 507 10 504 501 510 12 501 510 513 12 501 510 516 12 498 495 501 15 498 495 528 16 495 501 504 17 495 501 507 17 492 489 495 21 489 495 498 22 585 591 594 2 579 573 582 5 576 573 579 5 576 573 582 5 567 561 570 5 564 561 567 5 564 561 570 5 558 555 561 26 558 555 573 26 555 561 564 28 555 561 567 28 555 561 570 28 555 573 576 28 555 573 579 28 555 573 582 28 552 546 555 53 549 546 552 10 549 546 555 53 546 555 558 54 543 540 546 15 543 540 585 16 540 546 549 17 540 546 552 17 537 534 540 21 534 540 543 22 630 636 639 2 618 612 621 9 615 612 618 10 615 612 621 9 609 603 612 12 606 603 609 10 606 603 612 12 603 612 615 12 603 612 618 12 600 597 603 15 600 597 630 16 597 603 606 17 597 603 609 17 594 591 597 21 591 597 600 22 663 669 672 2 654 648 657 83 651 648 654 84 651 648 657 83 648 657 660 85 645 642 648 15 645 642 663 16 642 648 651 86 642 648 654 86 639 636 642 21 636 642 645 22 708 714 717 2 696 690 699 9 693 690 696 10 693 690 699 9 687 681 690 12 684 681 687 10 684 681 690 12 681 690 693 12 681 690 696 12 678 675 681 15 678 675 708 16 675 681 684 17 675 681 687 17 672 669 675 21 669 675 678 22 765 771 774 2 759 753 762 5 756 753 759 5 756 753 762 5 747 741 750 5 744 741 747 5 744 741 750 5 738 735 741 26 738 735 753 26 735 741 744 28 735 741 747 28 735 741 750 28 735 753 756 28 735 753 759 28 735 753 762 28 732 726 735 53 729 726 732 10 729 726 735 53 726 735 738 54 723 720 726 15 723 720 765 16 720 726 729 17 720 726 732 17 717 714 720 21 714 720 723 22 837 843 846 2 831 828 834 88 825 822 828 89 822 828 831 89 819 816 822 89 816 822 825 89 813 810 816 89 810 816 819 89 807 810 813 93 804 801 807 96 798 795 801 99 795 801 804 101 792 795 798 103 789 783 792 107 786 783 789 5 786 783 792 107 780 777 783 80 780 777 837 16 777 783 786 81 777 783 789 81 774 771 777 21 771 777 780 22 888 894 897 2 879 882 885 111 876 873 879 112 870 867 873 114 867 873 876 116 864 867 870 118 864 882 885 121 861 855 864 122 858 855 861 5 858 855 864 122 852 849 855 80 852 849 888 16 849 855 858 81 849 855 861 81 846 843 849 21 843 849 852 22 945 951 954 2 939 933 942 5 936 933 939 5 936 933 942 5 927 921 930 5 924 921 927 5 924 921 930 5 918 915 921 26 918 915 933 26 915 921 924 28 915 921 927 28 915 921 930 28 915 933 936 28 915 933 939 28 915 933 942 28 912 906 915 53 909 906 912 10 909 906 915 53 906 915 918 54 903 900 906 15 903 900 945 16 900 906 909 17 900 906 912 17 897 894 900 21 894 900 903 22 990 996 999 2 978 972 981 9 975 972 978 10 975 972 981 9 969 963 972 12 966 963 969 10 966 963 972 12 963 972 975 12 963 972 978 12 960 957 963 15 960 957 990 16 957 963 966 17 957 963 969 17 954 951 957 21 951 957 960 22 1032 1038 1041 2 1026 1023 1029 47 1017 1023 1026 2 1017 1023 1029 2 1014 1008 1017 48 1011 1008 1014 10 1011 1008 1017 48 1005 1002 1008 15 1005 1002 1032 16 1002 1008 1011 17 1002 1008 1014 17 999 996 1002 21 996 1002 1005 22 1077 1083 1086 2 1065 1059 1068 9 1062 1059 1065 10 1062 1059 1068 9 1056 1050 1059 12 1053 1050 1056 10 1053 1050 1059 12 1050 1059 1062 12 1050 1059 1065 12 1047 1044 1050 15 1047 1044 1077 16 1044 1050 1053 17 1044 1050 1056 17 1041 1038 1044 21 1038 1044 1047 22 1125 1131 1134 2 1119 1113 1122 5 1116 1113 1119 5 1116 1113 1122 5 1107 1101 1110 5 1104 1101 1107 5 1104 1101 1110 5 1098 1095 1101 26 1098 1095 1113 26 1095 1101 1104 28 1095 1101 1107 28 1095 1101 1110 28 1095 1113 1116 28 1095 1113 1119 28 1095 1113 1122 28 1092 1089 1095 29 1092 1089 1125 16 1089 1095 1098 30 1086 1083 1089 21 1083 1089 1092 22 1155 1161 1164 2 1149 1143 1152 5 1146 1143 1149 5 1146 1143 1152 5 1140 1137 1143 80 1140 1137 1155 16 1137 1143 1146 81 1137 1143 1149 81 1137 1143 1152 81 1134 1131 1137 21 1131 1137 1140 22 1227 1233 1236 2 1221 1218 1224 127 1212 1209 1215 127 1206 1209 1212 129 1206 1209 1215 129 1206 1218 1221 129 1206 1218 1224 129 1203 1200 1206 129 1197 1191 1200 130 1194 1191 1197 131 1194 1191 1200 130 1191 1200 1203 132 1188 1182 1191 37 1185 1182 1188 38 1185 1182 1191 37 1182 1191 1194 134 1182 1191 1197 134 1179 1173 1182 37 1176 1173 1179 38 1176 1173 1182 37 1173 1182 1185 37 1173 1182 1188 37 1170 1167 1173 43 1170 1167 1227 16 1167 1173 1176 44 1167 1173 1179 44 1164 1161 1167 21 1161 1167 1170 22 1284 1290 1293 2 1278 1272 1281 5 1275 1272 1278 5 1275 1272 1281 5 1266 1260 1269 5 1263 1260 1266 5 1263 1260 1269 5 1257 1254 1260 26 1257 1254 1272 26 1254 1260 1263 28 1254 1260 1266 28 1254 1260 1269 28 1254 1272 1275 28 1254 1272 1278 28 1254 1272 1281 28 1251 1245 1254 53 1248 1245 1251 10 1248 1245 1254 53 1245 1254 1257 54 1242 1239 1245 15 1242 1239 1284 16 1239 1245 1248 17 1239 1245 1251 17 1236 1233 1239 21 1233 1239 1242 22 1329 1335 1338 2 1317 1311 1320 9 1314 1311 1317 10 1314 1311 1320 9 1308 1302 1311 12 1305 1302 1308 10 1305 1302 1311 12 1302 1311 1314 12 1302 1311 1317 12 1299 1296 1302 15 1299 1296 1329 16 1296 1302 1305 17 1296 1302 1308 17 1293 1290 1296 21 1290 1296 1299 22 1395 1401 1404 2 1389 1383 1392 33 1386 1383 1389 33 1386 1383 1392 33 1380 1374 1383 34 1377 1374 1380 35 1377 1374 1383 34 1374 1383 1386 36 1374 1383 1389 36 1374 1383 1392 36 1371 1365 1374 37 1368 1365 1371 38 1368 1365 1374 37 1365 1374 1377 39 1365 1374 1380 39 1362 1356 1365 37 1359 1356 1362 38 1359 1356 1365 37 1356 1365 1368 37 1356 1365 1371 37 1353 1347 1356 37 1350 1347 1353 38 1350 1347 1356 37 1347 1356 1359 37 1347 1356 1362 37 1344 1341 1347 43 1344 1341 1395 16 1341 1347 1350 44 1341 1347 1353 44 1338 1335 1341 21 1335 1341 1344 22 1440 1446 1449 2 1428 1422 1431 9 1425 1422 1428 10 1425 1422 1431 9 1419 1413 1422 12 1416 1413 1419 10 1416 1413 1422 12 1413 1422 1425 12 1413 1422 1428 12 1410 1407 1413 15 1410 1407 1440 16 1407 1413 1416 17 1407 1413 1419 17 1404 1401 1407 21 1401 1407 1410 22 1482 1488 1491 2 1476 1473 1479 47 1467 1473 1476 2 1467 1473 1479 2 1464 1458 1467 48 1461 1458 1464 10 1461 1458 1467 48 1455 1452 1458 15 1455 1452 1482 16 1452 1458 1461 17 1452 1458 1464 17 1449 1446 1452 21 1446 1452 1455 22 1512 1518 1521 2 1506 1500 1509 5 1503 1500 1506 5 1503 1500 1509 5 1497 1494 1500 80 1497 1494 1512 16 1494 1500 1503 81 1494 1500 1506 81 1494 1500 1509 81 1491 1488 1494 21 1488 1494 1497 22 1557 1563 1566 2 1545 1539 1548 9 1542 1539 1545 10 1542 1539 1548 9 1536 1530 1539 12 1533 1530 1536 10 1533 1530 1539 12 1530 1539 1542 12 1530 1539 1545 12 1527 1524 1530 15 1527 1524 1557 16 1524 1530 1533 17 1524 1530 1536 17 1521 1518 1524 21 1518 1524 1527 22 1587 1593 1596 2 1581 1575 1584 137 1578 1575 1581 84 1578 1575 1584 137 1572 1569 1575 15 1572 1569 1587 16 1569 1575 1578 86 1569 1575 1581 86 1566 1563 1569 21 1563 1569 1572 22 1632 1638 1641 2 1620 1614 1623 9 1617 1614 1620 10 1617 1614 1623 9 1611 1605 1614 12 1608 1605 1611 10 1608 1605 1614 12 1605 1614 1617 12 1605 1614 1620 12 1602 1599 1605 15 1602 1599 1632 16 1599 1605 1608 17 1599 1605 1611 17 1596 1593 1599 21 1593 1599 1602 22 1662 1668 1671 2 1662 1668 1674 2 1656 1650 1659 5 1653 1650 1656 5 1653 1650 1659 5 1647 1644 1650 80 1647 1644 1662 16 1644 1650 1653 81 1644 1650 1656 81 1644 1650 1659 81 1641 1638 1644 21 1638 1644 1647 22 1671 1668 1674 47 1689 1695 1698 2 1686 1680 1689 4 1683 1680 1686 5 1683 1680 1689 4 1677 1680 1683 5 1677 1680 1686 5 1677 1680 1689 4 1728 1725 3633 57 1722 1725 1728 61 1719 1713 1722 64 1716 1713 1719 65 1716 1713 1722 64 1710 1707 1713 68 1707 1713 1716 70 1707 1713 1719 70 1701 1707 1710 73 1701 1731 1734 2 1698 1695 1707 75 1695 1707 1710 77 1773 1779 1782 2 1767 1761 1770 5 1764 1761 1767 5 1764 1761 1770 5 1755 1749 1758 5 1752 1749 1755 5 1752 1749 1758 5 1746 1743 1749 26 1746 1743 1761 26 1743 1749 1752 28 1743 1749 1755 28 1743 1749 1758 28 1743 1761 1764 28 1743 1761 1767 28 1743 1761 1770 28 1740 1737 1743 29 1740 1737 1773 16 1737 1743 1746 30 1734 1731 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2124 22 2202 2208 2211 2 2190 2184 2193 9 2187 2184 2190 10 2187 2184 2193 9 2181 2175 2184 12 2178 2175 2181 10 2178 2175 2184 12 2175 2184 2187 12 2175 2184 2190 12 2172 2169 2175 15 2172 2169 2202 16 2169 2175 2178 17 2169 2175 2181 17 2166 2163 2169 21 2163 2169 2172 22 2247 2253 2256 2 2235 2229 2238 9 2232 2229 2235 10 2232 2229 2238 9 2226 2220 2229 12 2223 2220 2226 10 2223 2220 2229 12 2220 2229 2232 12 2220 2229 2235 12 2217 2214 2220 15 2217 2214 2247 16 2214 2220 2223 17 2214 2220 2226 17 2211 2208 2214 21 2208 2214 2217 22 2304 2310 2313 2 2298 2292 2301 5 2295 2292 2298 5 2295 2292 2301 5 2286 2280 2289 5 2283 2280 2286 5 2283 2280 2289 5 2277 2274 2280 26 2277 2274 2292 26 2274 2280 2283 28 2274 2280 2286 28 2274 2280 2289 28 2274 2292 2295 28 2274 2292 2298 28 2274 2292 2301 28 2271 2265 2274 53 2268 2265 2271 10 2268 2265 2274 53 2265 2274 2277 54 2262 2259 2265 15 2262 2259 2304 16 2259 2265 2268 17 2259 2265 2271 17 2256 2253 2259 21 2253 2259 2262 22 2370 2376 2379 2 2364 2358 2367 33 2361 2358 2364 33 2361 2358 2367 33 2355 2349 2358 34 2352 2349 2355 35 2352 2349 2358 34 2349 2358 2361 36 2349 2358 2364 36 2349 2358 2367 36 2346 2340 2349 37 2343 2340 2346 38 2343 2340 2349 37 2340 2349 2352 39 2340 2349 2355 39 2337 2331 2340 37 2334 2331 2337 38 2334 2331 2340 37 2331 2340 2343 37 2331 2340 2346 37 2328 2322 2331 37 2325 2322 2328 38 2325 2322 2331 37 2322 2331 2334 37 2322 2331 2337 37 2319 2316 2322 43 2319 2316 2370 16 2316 2322 2325 44 2316 2322 2328 44 2313 2310 2316 21 2310 2316 2319 22 2403 2409 2412 2 2394 2388 2397 83 2391 2388 2394 84 2391 2388 2397 83 2388 2397 2400 85 2385 2382 2388 15 2385 2382 2403 16 2382 2388 2391 86 2382 2388 2394 86 2379 2376 2382 21 2376 2382 2385 22 2469 2475 2478 2 2463 2457 2466 33 2460 2457 2463 33 2460 2457 2466 33 2454 2448 2457 34 2451 2448 2454 35 2451 2448 2457 34 2448 2457 2460 36 2448 2457 2463 36 2448 2457 2466 36 2445 2439 2448 37 2442 2439 2445 38 2442 2439 2448 37 2439 2448 2451 39 2439 2448 2454 39 2436 2430 2439 37 2433 2430 2436 38 2433 2430 2439 37 2430 2439 2442 37 2430 2439 2445 37 2427 2421 2430 37 2424 2421 2427 38 2424 2421 2430 37 2421 2430 2433 37 2421 2430 2436 37 2418 2415 2421 43 2418 2415 2469 16 2415 2421 2424 44 2415 2421 2427 44 2412 2409 2415 21 2409 2415 2418 22 2526 2532 2535 2 2520 2514 2523 5 2517 2514 2520 5 2517 2514 2523 5 2508 2502 2511 5 2505 2502 2508 5 2505 2502 2511 5 2499 2496 2502 26 2499 2496 2514 26 2496 2502 2505 28 2496 2502 2508 28 2496 2502 2511 28 2496 2514 2517 28 2496 2514 2520 28 2496 2514 2523 28 2493 2487 2496 53 2490 2487 2493 10 2490 2487 2496 53 2487 2496 2499 54 2484 2481 2487 15 2484 2481 2526 16 2481 2487 2490 17 2481 2487 2493 17 2478 2475 2481 21 2475 2481 2484 22 2598 2604 2607 2 2592 2589 2595 88 2586 2583 2589 89 2583 2589 2592 89 2580 2577 2583 89 2577 2583 2586 89 2574 2571 2577 89 2571 2577 2580 89 2568 2571 2574 93 2565 2562 2568 96 2559 2556 2562 99 2556 2562 2565 101 2553 2556 2559 103 2550 2544 2553 107 2547 2544 2550 5 2547 2544 2553 107 2541 2538 2544 80 2541 2538 2598 16 2538 2544 2547 81 2538 2544 2550 81 2535 2532 2538 21 2532 2538 2541 22 2649 2655 2658 2 2640 2643 2646 111 2637 2634 2640 112 2631 2628 2634 114 2628 2634 2637 116 2625 2628 2631 118 2625 2643 2646 121 2622 2616 2625 122 2619 2616 2622 5 2619 2616 2625 122 2613 2610 2616 80 2613 2610 2649 16 2610 2616 2619 81 2610 2616 2622 81 2607 2604 2610 21 2604 2610 2613 22 2706 2712 2715 2 2700 2694 2703 5 2697 2694 2700 5 2697 2694 2703 5 2688 2682 2691 5 2685 2682 2688 5 2685 2682 2691 5 2679 2676 2682 26 2679 2676 2694 26 2676 2682 2685 28 2676 2682 2688 28 2676 2682 2691 28 2676 2694 2697 28 2676 2694 2700 28 2676 2694 2703 28 2673 2667 2676 53 2670 2667 2673 10 2670 2667 2676 53 2667 2676 2679 54 2664 2661 2667 15 2664 2661 2706 16 2661 2667 2670 17 2661 2667 2673 17 2658 2655 2661 21 2655 2661 2664 22 2772 2778 2781 2 2766 2760 2769 33 2763 2760 2766 33 2763 2760 2769 33 2757 2751 2760 34 2754 2751 2757 35 2754 2751 2760 34 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37 2841 2850 2856 37 2838 2832 2841 37 2835 2832 2838 38 2835 2832 2841 37 2832 2841 2844 37 2832 2841 2847 37 2829 2826 2832 43 2829 2826 2880 16 2826 2832 2835 44 2826 2832 2838 44 2823 2820 2826 21 2820 2826 2829 22 2928 2934 2937 2 2922 2916 2925 5 2919 2916 2922 5 2919 2916 2925 5 2910 2904 2913 5 2907 2904 2910 5 2907 2904 2913 5 2901 2898 2904 26 2901 2898 2916 26 2898 2904 2907 28 2898 2904 2910 28 2898 2904 2913 28 2898 2916 2919 28 2898 2916 2922 28 2898 2916 2925 28 2895 2892 2898 29 2895 2892 2928 16 2892 2898 2901 30 2889 2886 2892 21 2886 2892 2895 22 2958 2964 2967 2 2952 2946 2955 5 2949 2946 2952 5 2949 2946 2955 5 2943 2940 2946 80 2943 2940 2958 16 2940 2946 2949 81 2940 2946 2952 81 2940 2946 2955 81 2937 2934 2940 21 2934 2940 2943 22 3030 3036 3039 2 3024 3021 3027 127 3015 3012 3018 127 3009 3012 3015 129 3009 3012 3018 129 3009 3021 3024 129 3009 3021 3027 129 3006 3003 3009 129 3000 2994 3003 130 2997 2994 3000 131 2997 2994 3003 130 2994 3003 3006 132 2991 2985 2994 37 2988 2985 2991 38 2988 2985 2994 37 2985 2994 2997 134 2985 2994 3000 134 2982 2976 2985 37 2979 2976 2982 38 2979 2976 2985 37 2976 2985 2988 37 2976 2985 2991 37 2973 2970 2976 43 2973 2970 3030 16 2970 2976 2979 44 2970 2976 2982 44 2967 2964 2970 21 2964 2970 2973 22 3087 3093 3096 2 3081 3075 3084 5 3078 3075 3081 5 3078 3075 3084 5 3069 3063 3072 5 3066 3063 3069 5 3066 3063 3072 5 3060 3057 3063 26 3060 3057 3075 26 3057 3063 3066 28 3057 3063 3069 28 3057 3063 3072 28 3057 3075 3078 28 3057 3075 3081 28 3057 3075 3084 28 3054 3048 3057 53 3051 3048 3054 10 3051 3048 3057 53 3048 3057 3060 54 3045 3042 3048 15 3045 3042 3087 16 3042 3048 3051 17 3042 3048 3054 17 3039 3036 3042 21 3036 3042 3045 22 3153 3159 3162 2 3147 3141 3150 33 3144 3141 3147 33 3144 3141 3150 33 3138 3132 3141 34 3135 3132 3138 35 3135 3132 3141 34 3132 3141 3144 36 3132 3141 3147 36 3132 3141 3150 36 3129 3123 3132 37 3126 3123 3129 38 3126 3123 3132 37 3123 3132 3135 39 3123 3132 3138 39 3120 3114 3123 37 3117 3114 3120 38 3117 3114 3123 37 3114 3123 3126 37 3114 3123 3129 37 3111 3105 3114 37 3108 3105 3111 38 3108 3105 3114 37 3105 3114 3117 37 3105 3114 3120 37 3102 3099 3105 43 3102 3099 3153 16 3099 3105 3108 44 3099 3105 3111 44 3096 3093 3099 21 3093 3099 3102 22 3219 3225 3228 2 3213 3207 3216 33 3210 3207 3213 33 3210 3207 3216 33 3204 3198 3207 34 3201 3198 3204 35 3201 3198 3207 34 3198 3207 3210 36 3198 3207 3213 36 3198 3207 3216 36 3195 3189 3198 37 3192 3189 3195 38 3192 3189 3198 37 3189 3198 3201 39 3189 3198 3204 39 3186 3180 3189 37 3183 3180 3186 38 3183 3180 3189 37 3180 3189 3192 37 3180 3189 3195 37 3177 3171 3180 37 3174 3171 3177 38 3174 3171 3180 37 3171 3180 3183 37 3171 3180 3186 37 3168 3165 3171 43 3168 3165 3219 16 3165 3171 3174 44 3165 3171 3177 44 3162 3159 3165 21 3159 3165 3168 22 3285 3291 3294 2 3279 3273 3282 33 3276 3273 3279 33 3276 3273 3282 33 3270 3264 3273 34 3267 3264 3270 35 3267 3264 3273 34 3264 3273 3276 36 3264 3273 3279 36 3264 3273 3282 36 3261 3255 3264 37 3258 3255 3261 38 3258 3255 3264 37 3255 3264 3267 39 3255 3264 3270 39 3252 3246 3255 37 3249 3246 3252 38 3249 3246 3255 37 3246 3255 3258 37 3246 3255 3261 37 3243 3237 3246 37 3240 3237 3243 38 3240 3237 3246 37 3237 3246 3249 37 3237 3246 3252 37 3234 3231 3237 43 3234 3231 3285 16 3231 3237 3240 44 3231 3237 3243 44 3228 3225 3231 21 3225 3231 3234 22 3327 3333 3336 2 3321 3318 3324 47 3312 3318 3321 2 3312 3318 3324 2 3309 3303 3312 48 3306 3303 3309 10 3306 3303 3312 48 3300 3297 3303 15 3300 3297 3327 16 3297 3303 3306 17 3297 3303 3309 17 3294 3291 3297 21 3291 3297 3300 22 3357 3363 3366 2 3351 3345 3354 5 3348 3345 3351 5 3348 3345 3354 5 3342 3339 3345 80 3342 3339 3357 16 3339 3345 3348 81 3339 3345 3351 81 3339 3345 3354 81 3336 3333 3339 21 3333 3339 3342 22 3402 3408 3411 2 3390 3384 3393 9 3387 3384 3390 10 3387 3384 3393 9 3381 3375 3384 12 3378 3375 3381 10 3378 3375 3384 12 3375 3384 3387 12 3375 3384 3390 12 3372 3369 3375 15 3372 3369 3402 16 3369 3375 3378 17 3369 3375 3381 17 3366 3363 3369 21 3363 3369 3372 22 3432 3438 3441 2 3426 3420 3429 137 3423 3420 3426 84 3423 3420 3429 137 3417 3414 3420 15 3417 3414 3432 16 3414 3420 3423 86 3414 3420 3426 86 3411 3408 3414 21 3408 3414 3417 22 3498 3504 3507 2 3492 3486 3495 33 3489 3486 3492 33 3489 3486 3495 33 3483 3477 3486 34 3480 3477 3483 35 3480 3477 3486 34 3477 3486 3489 36 3477 3486 3492 36 3477 3486 3495 36 3474 3468 3477 37 3471 3468 3474 38 3471 3468 3477 37 3468 3477 3480 39 3468 3477 3483 39 3465 3459 3468 37 3462 3459 3465 38 3462 3459 3468 37 3459 3468 3471 37 3459 3468 3474 37 3456 3450 3459 37 3453 3450 3456 38 3453 3450 3459 37 3450 3459 3462 37 3450 3459 3465 37 3447 3444 3450 43 3447 3444 3498 16 3444 3450 3453 44 3444 3450 3456 44 3441 3438 3444 21 3438 3444 3447 22 3528 3534 3537 2 3528 3534 3540 2 3522 3516 3525 5 3519 3516 3522 5 3519 3516 3525 5 3513 3510 3516 80 3513 3510 3528 16 3510 3516 3519 81 3510 3516 3522 81 3510 3516 3525 81 3507 3504 3510 21 3504 3510 3513 22 3537 3534 3540 47 3630 3624 3633 144 3627 3624 3630 145 3627 3624 3633 144 3621 3615 3624 147 3618 3615 3621 145 3618 3615 3624 147 3615 3624 3627 147 3615 3624 3630 147 3612 3615 3618 149 3612 3615 3621 149 3609 3603 3612 149 3606 3603 3609 145 3606 3603 3612 149 3600 3594 3603 147 3597 3594 3600 145 3597 3594 3603 147 3594 3603 3606 147 3594 3603 3609 147 3591 3594 3597 149 3591 3594 3600 149 3588 3582 3591 149 3585 3582 3588 145 3585 3582 3591 149 3579 3573 3582 147 3576 3573 3579 145 3576 3573 3582 147 3573 3582 3585 147 3573 3582 3588 147 3570 3573 3576 149 3570 3573 3579 149 3567 3561 3570 149 3564 3561 3567 145 3564 3561 3570 149 3558 3552 3561 147 3555 3552 3558 145 3555 3552 3561 147 3552 3561 3564 147 3552 3561 3567 147 3549 3552 3555 144 3549 3552 3558 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 1 279 285 297 52 255 249 267 25 240 234 279 13 240 249 255 55 240 249 267 55 234 240 249 56 234 279 282 19 234 279 285 20 228 234 240 23 228 234 279 24 315 312 3543 58 315 3549 3546 59 315 3549 3552 60 312 315 3549 62 312 3543 3546 63 303 312 315 66 303 312 3543 67 297 291 321 69 297 303 312 71 294 291 297 72 294 291 321 1 291 297 303 74 291 321 327 3 285 297 291 76 285 297 303 78 348 345 351 1 345 351 357 3 333 327 345 79 327 345 348 19 327 345 351 20 321 327 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1125 24 1158 1155 1161 1 1155 1161 1167 3 1143 1137 1155 79 1137 1155 1158 19 1137 1155 1161 20 1131 1137 1143 82 1131 1137 1155 24 1230 1227 1233 1 1227 1233 1239 3 1209 1206 1218 128 1200 1206 1209 128 1200 1206 1218 128 1191 1200 1206 133 1182 1191 1200 135 1173 1167 1227 42 1173 1182 1191 41 1167 1173 1182 45 1167 1227 1230 19 1167 1227 1233 20 1161 1167 1173 46 1161 1167 1227 24 1287 1284 1290 1 1284 1290 1296 3 1260 1254 1272 25 1245 1239 1284 13 1245 1254 1260 55 1245 1254 1272 55 1239 1245 1254 56 1239 1284 1287 19 1239 1284 1290 20 1233 1239 1245 23 1233 1239 1284 24 1332 1329 1335 1 1329 1335 1341 3 1323 1320 1326 8 1311 1320 1323 11 1311 1320 1326 11 1302 1296 1329 13 1302 1311 1320 14 1296 1302 1311 18 1296 1329 1332 19 1296 1329 1335 20 1290 1296 1302 23 1290 1296 1329 24 1398 1395 1401 1 1395 1401 1407 3 1365 1374 1383 40 1356 1365 1374 41 1347 1341 1395 42 1347 1356 1365 41 1341 1347 1356 45 1341 1395 1398 19 1341 1395 1401 20 1335 1341 1347 46 1335 1341 1395 24 1443 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2913 14 2901 2898 2916 2919 14 2901 2898 2916 2922 14 2901 2898 2916 2925 14 2895 2892 2898 2901 13 2895 2892 2898 2904 13 2895 2892 2898 2916 13 2895 2892 2928 2931 4 2895 2892 -2928 2931 3 2895 2892 -2928 2931 17 2895 2892 2928 2934 3 2892 2898 2904 2907 18 2892 2898 2904 2910 18 2892 2898 2904 2913 18 2892 2898 2916 2919 18 2892 2898 2916 2922 18 2892 2898 2916 2925 18 2892 2928 2934 2937 2 2889 2886 2892 2895 3 2889 2886 2892 2898 3 2889 2886 2892 2928 3 2886 2892 2898 2901 13 2961 2958 2964 2967 1 2961 2958 -2964 2967 2 2958 2964 2970 2973 3 2955 2946 2940 2958 13 2952 2946 2940 2958 13 2949 2946 2940 2958 13 2943 2940 2946 2949 13 2943 2940 2946 2952 13 2943 2940 2946 2955 13 2943 2940 2958 2961 4 2943 2940 -2958 2961 3 2943 2940 -2958 2961 17 2943 2940 2958 2964 3 2940 2958 2964 2967 2 2937 2934 2940 2943 3 2937 2934 2940 2946 3 2937 2934 2940 2958 3 2934 2940 2946 2949 13 2934 2940 2946 2952 13 2934 2940 2946 2955 13 3033 3030 3036 3039 1 3033 3030 -3036 3039 2 3030 3036 3042 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3114 3117 14 3108 3105 3114 3120 14 3108 3105 3114 3123 18 3105 3114 3123 3126 18 3105 3114 3123 3129 18 3102 3099 3105 3108 13 3102 3099 3105 3111 13 3102 3099 3105 3114 13 3102 3099 3153 3156 4 3102 3099 -3153 3156 3 3102 3099 -3153 3156 17 3102 3099 3153 3159 3 3099 3105 3114 3117 18 3099 3105 3114 3120 18 3099 3153 3159 3162 2 3096 3093 3099 3102 3 3096 3093 3099 3105 3 3096 3093 3099 3153 3 3093 3099 3105 3108 13 3093 3099 3105 3111 13 3222 3219 3225 3228 1 3222 3219 -3225 3228 2 3219 3225 3231 3234 3 3204 3198 3207 3210 13 3204 3198 3207 3213 13 3204 3198 3207 3216 13 3201 3198 3207 3210 13 3201 3198 3207 3213 13 3201 3198 3207 3216 13 3195 3189 3198 3201 13 3195 3189 3198 3204 13 3195 3189 3198 3207 13 3192 3189 3198 3201 13 3192 3189 3198 3204 13 3192 3189 3198 3207 13 3189 3198 3207 3210 13 3189 3198 3207 3213 13 3189 3198 3207 3216 13 3186 3180 3189 3192 14 3186 3180 3189 3195 14 3186 3180 3189 3198 18 3183 3180 3189 3192 14 3183 3180 3189 3195 14 3183 3180 3189 3198 18 3180 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731 732 733 734 735 731 732 733 734 732 733 734 733 734 734 0 736 737 738 739 740 741 750 737 738 739 738 739 740 741 742 743 744 750 751 752 739 740 741 750 740 741 742 743 744 745 746 747 750 751 752 753 754 741 742 743 744 750 751 752 742 743 744 745 746 747 748 749 750 751 752 743 744 745 746 747 750 744 745 746 747 750 745 746 747 748 749 750 746 747 748 749 747 748 749 748 749 749 0 751 752 753 754 755 756 769 752 753 754 753 754 755 756 757 758 759 769 770 771 754 755 756 769 755 756 757 758 759 760 761 765 769 770 771 772 773 756 757 758 759 769 770 771 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 758 759 760 761 765 769 759 760 761 765 769 760 761 762 763 764 765 766 767 768 769 761 762 763 764 765 766 767 768 762 763 764 765 766 767 768 763 764 765 764 765 765 766 767 768 767 768 768 0 770 771 772 773 774 775 791 771 772 773 772 773 774 775 776 777 778 791 792 793 773 774 775 791 774 775 776 777 778 779 780 781 791 792 793 794 795 775 776 777 778 791 792 793 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819 820 821 822 823 820 821 822 823 821 822 823 822 823 823 0 825 826 827 828 829 830 843 826 827 828 827 828 829 830 831 832 833 843 844 845 828 829 830 843 829 830 831 832 833 834 835 839 843 844 845 846 847 830 831 832 833 843 844 845 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 832 833 834 835 839 843 833 834 835 839 843 834 835 836 837 838 839 840 841 842 843 835 836 837 838 839 840 841 842 836 837 838 839 840 841 842 837 838 839 838 839 839 840 841 842 841 842 842 0 844 845 846 847 848 849 867 845 846 847 846 847 848 849 850 851 852 867 868 869 847 848 849 867 848 849 850 851 852 853 866 867 868 869 870 871 849 850 851 852 867 868 869 850 851 852 853 854 855 857 864 866 867 868 869 851 852 853 866 867 852 853 866 867 853 854 855 856 857 858 862 864 865 866 867 854 855 856 857 858 864 866 855 856 857 866 856 857 858 859 860 864 866 857 858 866 858 859 860 861 862 864 865 866 859 860 861 862 863 864 866 860 861 862 866 861 862 863 864 865 866 862 863 864 863 864 865 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960 953 954 955 956 957 954 955 956 957 955 956 957 958 959 960 956 957 958 959 960 957 958 959 960 958 959 960 959 960 960 0 962 963 964 965 966 967 977 963 964 965 964 965 966 967 968 969 973 977 978 979 965 966 967 977 966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 967 968 969 973 977 978 979 968 969 970 971 972 973 974 975 976 977 978 979 969 970 971 972 973 974 975 976 977 970 971 972 973 974 975 976 977 971 972 973 972 973 973 974 975 976 977 975 976 976 0 978 979 980 981 982 983 987 979 980 981 980 981 982 983 984 985 986 987 988 989 981 982 983 987 982 983 984 985 986 987 988 989 990 991 983 984 985 986 987 988 989 984 985 986 987 988 989 985 986 987 986 987 987 988 989 990 991 992 993 1011 989 990 991 990 991 992 993 994 995 996 1011 1012 1013 991 992 993 1011 992 993 994 995 996 997 998 999 1011 1012 1013 1014 1015 993 994 995 996 1011 1012 1013 994 995 996 997 998 999 1000 1001 1002 1011 1012 1013 995 996 997 998 999 1011 996 997 998 999 1011 997 998 999 1000 1001 1002 1003 1004 1011 998 999 1000 1001 1002 999 1000 1001 1002 1000 1001 1002 1003 1004 1005 1008 1001 1002 1003 1004 1002 1003 1004 1003 1004 1005 1006 1007 1008 1009 1010 1004 1005 1008 1005 1006 1007 1008 1009 1010 1006 1007 1008 1009 1010 1007 1008 1008 1009 1010 1010 0 1012 1013 1014 1015 1016 1017 1030 1013 1014 1015 1014 1015 1016 1017 1018 1019 1020 1030 1031 1032 1015 1016 1017 1030 1016 1017 1018 1019 1020 1021 1022 1026 1030 1031 1032 1033 1034 1017 1018 1019 1020 1030 1031 1032 1018 1019 1020 1021 1022 1023 1024 1025 1026 1027 1028 1029 1030 1031 1032 1019 1020 1021 1022 1026 1030 1020 1021 1022 1026 1030 1021 1022 1023 1024 1025 1026 1027 1028 1029 1030 1022 1023 1024 1025 1026 1027 1028 1029 1023 1024 1025 1026 1027 1028 1029 1024 1025 1026 1025 1026 1026 1027 1028 1029 1028 1029 1029 0 1031 1032 1033 1034 1035 1036 1052 1032 1033 1034 1033 1034 1035 1036 1037 1038 1039 1052 1053 1054 1034 1035 1036 1052 1035 1036 1037 1038 1039 1040 1041 1042 1052 1053 1054 1055 1056 1036 1037 1038 1039 1052 1053 1054 1037 1038 1039 1040 1041 1042 1043 1044 1045 1052 1053 1054 1038 1039 1040 1041 1042 1052 1039 1040 1041 1042 1052 1040 1041 1042 1043 1044 1045 1046 1047 1048 1052 1041 1042 1043 1044 1045 1042 1043 1044 1045 1043 1044 1045 1046 1047 1048 1049 1050 1051 1044 1045 1046 1047 1048 1045 1046 1047 1048 1046 1047 1048 1049 1050 1051 1047 1048 1049 1050 1051 1048 1049 1050 1051 1049 1050 1051 1050 1051 1051 0 1053 1054 1055 1056 1057 1058 1074 1054 1055 1056 1055 1056 1057 1058 1059 1060 1061 1074 1075 1076 1056 1057 1058 1074 1057 1058 1059 1060 1061 1062 1063 1064 1074 1075 1076 1077 1078 1058 1059 1060 1061 1074 1075 1076 1059 1060 1061 1062 1063 1064 1065 1066 1067 1074 1075 1076 1060 1061 1062 1063 1064 1074 1061 1062 1063 1064 1074 1062 1063 1064 1065 1066 1067 1068 1069 1070 1074 1063 1064 1065 1066 1067 1064 1065 1066 1067 1065 1066 1067 1068 1069 1070 1071 1072 1073 1066 1067 1068 1069 1070 1067 1068 1069 1070 1068 1069 1070 1071 1072 1073 1069 1070 1071 1072 1073 1070 1071 1072 1073 1071 1072 1073 1072 1073 1073 0 1075 1076 1077 1078 1079 1080 1096 1076 1077 1078 1077 1078 1079 1080 1081 1082 1083 1096 1097 1098 1078 1079 1080 1096 1079 1080 1081 1082 1083 1084 1085 1086 1096 1097 1098 1099 1100 1080 1081 1082 1083 1096 1097 1098 1081 1082 1083 1084 1085 1086 1087 1088 1089 1096 1097 1098 1082 1083 1084 1085 1086 1096 1083 1084 1085 1086 1096 1084 1085 1086 1087 1088 1089 1090 1091 1092 1096 1085 1086 1087 1088 1089 1086 1087 1088 1089 1087 1088 1089 1090 1091 1092 1093 1094 1095 1088 1089 1090 1091 1092 1089 1090 1091 1092 1090 1091 1092 1093 1094 1095 1091 1092 1093 1094 1095 1092 1093 1094 1095 1093 1094 1095 1094 1095 1095 0 1097 1098 1099 1100 1101 1102 1110 1098 1099 1100 1099 1100 1101 1102 1103 1104 1105 1110 1111 1112 1100 1101 1102 1110 1101 1102 1103 1104 1105 1106 1107 1110 1111 1112 1113 1114 1102 1103 1104 1105 1110 1111 1112 1103 1104 1105 1106 1107 1108 1109 1110 1111 1112 1104 1105 1106 1107 1110 1105 1106 1107 1110 1106 1107 1108 1109 1110 1107 1108 1109 1108 1109 1109 0 1111 1112 1113 1114 1115 1116 1120 1112 1113 1114 1113 1114 1115 1116 1117 1118 1119 1120 1121 1122 1114 1115 1116 1120 1115 1116 1117 1118 1119 1120 1121 1122 1123 1124 1116 1117 1118 1119 1120 1121 1122 1117 1118 1119 1120 1121 1122 1118 1119 1120 1119 1120 1120 1121 1122 1123 1124 1125 1126 1135 1122 1123 1124 1123 1124 1125 1126 1127 1128 1129 1135 1136 1137 1124 1125 1126 1135 1125 1126 1127 1128 1129 1130 1131 1132 1135 1136 1137 1138 1139 1126 1127 1128 1129 1135 1136 1137 1127 1128 1129 1130 1131 1132 1133 1134 1135 1136 1137 1128 1129 1130 1131 1132 1135 1129 1130 1131 1132 1135 1130 1131 1132 1133 1134 1135 1131 1132 1133 1134 1132 1133 1134 1133 1134 1134 0 1136 1137 1138 1139 1140 1141 1145 1137 1138 1139 1138 1139 1140 1141 1142 1143 1144 1145 1146 1147 1139 1140 1141 1145 1140 1141 1142 1143 1144 1145 1146 1147 1148 1149 1141 1142 1143 1144 1145 1146 1147 1142 1143 1144 1145 1146 1147 1143 1144 1145 1144 1145 1145 1146 1147 1148 1149 1150 1151 1167 1147 1148 1149 1148 1149 1150 1151 1152 1153 1154 1167 1168 1169 1149 1150 1151 1167 1150 1151 1152 1153 1154 1155 1156 1157 1167 1168 1169 1170 1171 1151 1152 1153 1154 1167 1168 1169 1152 1153 1154 1155 1156 1157 1158 1159 1160 1167 1168 1169 1153 1154 1155 1156 1157 1167 1154 1155 1156 1157 1167 1155 1156 1157 1158 1159 1160 1161 1162 1163 1167 1156 1157 1158 1159 1160 1157 1158 1159 1160 1158 1159 1160 1161 1162 1163 1164 1165 1166 1159 1160 1161 1162 1163 1160 1161 1162 1163 1161 1162 1163 1164 1165 1166 1162 1163 1164 1165 1166 1163 1164 1165 1166 1164 1165 1166 1165 1166 1166 0 1168 1169 1170 1171 1172 1173 1177 1169 1170 1171 1170 1171 1172 1173 1174 1175 1176 1177 1178 1179 1171 1172 1173 1177 1172 1173 1174 1175 1176 1177 1178 1179 1180 1181 1173 1174 1175 1176 1177 1178 1179 1174 1175 1176 1177 1178 1179 1175 1176 1177 1176 1177 1177 1178 1179 1180 1181 1179 1180 1181 1180 1181 1181 0 1183 1184 1185 1184 1185 1186 1187 1188 1185 1186 1187 1188 1189 1190 1191 1186 1187 1188 1189 1190 1191 1192 1187 1188 1189 1190 1191 1188 1189 1190 1191 1189 1190 1191 1192 1193 1194 1195 1190 1191 1192 1191 1192 1192 1193 1194 1195 1196 1197 1198 1193 1194 1195 1196 1197 1198 1199 1194 1195 1196 1197 1198 1195 1196 1197 1198 1196 1197 1198 1199 1200 1201 1202 1197 1198 1199 1198 1199 1199 1200 1201 1202 1203 1204 1205 1200 1201 1202 1203 1204 1205 1206 1201 1202 1203 1204 1205 1202 1203 1204 1205 1203 1204 1205 1206 1207 1208 1209 1204 1205 1206 1205 1206 1206 1207 1208 1209 1210 1211 1212 1207 1208 1209 1210 1211 1212 1213 1208 1209 1210 1211 1212 1209 1210 1211 1212 1210 1211 1212 1213 1214 1211 1212 1213 1212 1213 1213 1214 1214 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 C O CX HC c3 hc hc cc cd h4 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 XC H1 2C H1 H1 OH HO 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 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 C O CX HC c3 hc hc cc cd h4 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 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 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 M E 3 E E S S 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 3 E E S 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 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 M E 3 E E S S 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 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 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 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0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 %FLAG IROTAT %FORMAT(10I8) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 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 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 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 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1.29041 0.21053 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 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318 320 331 333 5 331 333 335 345 347 4 345 347 349 360 362 5 360 362 364 376 378 3 376 378 380 386 388 1 386 388 390 410 412 6 410 412 414 429 431 8 429 431 433 444 446 5 444 446 448 466 468 7 466 468 470 481 483 5 481 483 485 495 497 4 495 497 499 505 507 1 505 507 509 520 522 5 520 522 524 530 532 8 530 532 534 545 547 5 545 547 549 555 557 1 568 578 580 592 594 3 592 594 596 614 616 7 614 616 618 631 633 9 631 633 635 650 652 8 650 652 654 672 674 7 672 674 676 682 684 1 682 684 686 704 706 7 704 706 708 720 722 3 720 722 724 735 737 5 735 737 739 750 752 5 750 752 754 769 771 8 769 771 773 791 793 7 791 793 795 802 804 2 802 804 806 824 826 7 824 826 828 843 845 8 843 845 847 867 869 8 867 869 871 884 886 8 884 886 888 903 905 8 903 905 907 925 927 7 925 927 929 939 941 4 939 941 943 961 963 7 961 963 965 977 979 3 977 979 981 987 989 1 987 989 991 1011 1013 6 1011 1013 1015 1030 1032 8 1030 1032 1034 1052 1054 7 1052 1054 1056 1074 1076 7 1074 1076 1078 1096 1098 7 1096 1098 1100 1110 1112 4 1110 1112 1114 1120 1122 1 1120 1122 1124 1135 1137 5 1135 1137 1139 1145 1147 8 1145 1147 1149 1167 1169 7 1167 1169 1171 1177 1179 1