# # 8855 atoms 1310 bonds 655 angles 0 dihedrals 0 impropers 3 atom types 1 bond types 1 angle types 0 dihedral types 0 improper types -6.77 6.77 xlo xhi -6.77 6.77 ylo yhi 0.000 300.866 zlo zhi Pair Coeffs 1 0.0640000000 4.0100000000 2 0.2740000000 3.6080000000 3 0.0130000000 1.0980000000 Bond Coeffs 1 450.0 0.9572 Angle Coeffs 1 0.0700 107.400000 Masses 1 12.000 2 15.9994 3 1.0080 Atoms 1 1 1 0 6.77 0 0 2 1 1 0 6.623 1.408 0 3 1 1 0 6.439 2.092 1.228 4 1 1 0 5.863 3.385 1.228 5 1 1 0 5.477 3.98 0 6 1 1 0 4.53 5.031 0 7 1 1 0 3.98 5.477 1.228 8 1 1 0 2.754 6.185 1.228 9 1 1 0 2.092 6.439 0 10 1 1 0 0.708 6.733 0 11 1 1 0 0 6.77 1.228 12 1 1 0 -1.408 6.623 1.228 13 1 1 0 -2.092 6.439 0 14 1 1 0 -3.385 5.863 0 15 1 1 0 -3.98 5.477 1.228 16 1 1 0 -5.031 4.53 1.228 17 1 1 0 -5.477 3.98 0 18 1 1 0 -6.185 2.754 0 19 1 1 0 -6.439 2.092 1.228 20 1 1 0 -6.733 0.708 1.228 21 1 1 0 -6.77 0 0 22 1 1 0 -6.623 -1.408 0 23 1 1 0 -6.439 -2.092 1.228 24 1 1 0 -5.863 -3.385 1.228 25 1 1 0 -5.477 -3.98 0 26 1 1 0 -4.53 -5.031 0 27 1 1 0 -3.98 -5.477 1.228 28 1 1 0 -2.754 -6.185 1.228 29 1 1 0 -2.092 -6.439 0 30 1 1 0 -0.708 -6.733 0 31 1 1 0 0 -6.77 1.228 32 1 1 0 1.408 -6.623 1.228 33 1 1 0 2.092 -6.439 0 34 1 1 0 3.385 -5.863 0 35 1 1 0 3.98 -5.477 1.228 36 1 1 0 5.031 -4.53 1.228 37 1 1 0 5.477 -3.98 0 38 1 1 0 6.185 -2.754 0 39 1 1 0 6.439 -2.092 1.228 40 1 1 0 6.733 -0.708 1.228 41 1 1 0 6.77 0 2.456 42 1 1 0 6.623 1.408 2.456 43 1 1 0 6.439 2.092 3.684 44 1 1 0 5.863 3.385 3.684 45 1 1 0 5.477 3.98 2.456 46 1 1 0 4.53 5.031 2.456 47 1 1 0 3.98 5.477 3.684 48 1 1 0 2.754 6.185 3.684 49 1 1 0 2.092 6.439 2.456 50 1 1 0 0.708 6.733 2.456 51 1 1 0 0 6.77 3.684 52 1 1 0 -1.408 6.623 3.684 53 1 1 0 -2.092 6.439 2.456 54 1 1 0 -3.385 5.863 2.456 55 1 1 0 -3.98 5.477 3.684 56 1 1 0 -5.031 4.53 3.684 57 1 1 0 -5.477 3.98 2.456 58 1 1 0 -6.185 2.754 2.456 59 1 1 0 -6.439 2.092 3.684 60 1 1 0 -6.733 0.708 3.684 61 1 1 0 -6.77 0 2.456 62 1 1 0 -6.623 -1.408 2.456 63 1 1 0 -6.439 -2.092 3.684 64 1 1 0 -5.863 -3.385 3.684 65 1 1 0 -5.477 -3.98 2.456 66 1 1 0 -4.53 -5.031 2.456 67 1 1 0 -3.98 -5.477 3.684 68 1 1 0 -2.754 -6.185 3.684 69 1 1 0 -2.092 -6.439 2.456 70 1 1 0 -0.708 -6.733 2.456 71 1 1 0 0 -6.77 3.684 72 1 1 0 1.408 -6.623 3.684 73 1 1 0 2.092 -6.439 2.456 74 1 1 0 3.385 -5.863 2.456 75 1 1 0 3.98 -5.477 3.684 76 1 1 0 5.031 -4.53 3.684 77 1 1 0 5.477 -3.98 2.456 78 1 1 0 6.185 -2.754 2.456 79 1 1 0 6.439 -2.092 3.684 80 1 1 0 6.733 -0.708 3.684 81 1 1 0 6.77 0 4.912 82 1 1 0 6.623 1.408 4.912 83 1 1 0 6.439 2.092 6.14 84 1 1 0 5.863 3.385 6.14 85 1 1 0 5.477 3.98 4.912 86 1 1 0 4.53 5.031 4.912 87 1 1 0 3.98 5.477 6.14 88 1 1 0 2.754 6.185 6.14 89 1 1 0 2.092 6.439 4.912 90 1 1 0 0.708 6.733 4.912 91 1 1 0 0 6.77 6.14 92 1 1 0 -1.408 6.623 6.14 93 1 1 0 -2.092 6.439 4.912 94 1 1 0 -3.385 5.863 4.912 95 1 1 0 -3.98 5.477 6.14 96 1 1 0 -5.031 4.53 6.14 97 1 1 0 -5.477 3.98 4.912 98 1 1 0 -6.185 2.754 4.912 99 1 1 0 -6.439 2.092 6.14 100 1 1 0 -6.733 0.708 6.14 101 1 1 0 -6.77 0 4.912 102 1 1 0 -6.623 -1.408 4.912 103 1 1 0 -6.439 -2.092 6.14 104 1 1 0 -5.863 -3.385 6.14 105 1 1 0 -5.477 -3.98 4.912 106 1 1 0 -4.53 -5.031 4.912 107 1 1 0 -3.98 -5.477 6.14 108 1 1 0 -2.754 -6.185 6.14 109 1 1 0 -2.092 -6.439 4.912 110 1 1 0 -0.708 -6.733 4.912 111 1 1 0 0 -6.77 6.14 112 1 1 0 1.408 -6.623 6.14 113 1 1 0 2.092 -6.439 4.912 114 1 1 0 3.385 -5.863 4.912 115 1 1 0 3.98 -5.477 6.14 116 1 1 0 5.031 -4.53 6.14 117 1 1 0 5.477 -3.98 4.912 118 1 1 0 6.185 -2.754 4.912 119 1 1 0 6.439 -2.092 6.14 120 1 1 0 6.733 -0.708 6.14 121 1 1 0 6.77 0 7.368 122 1 1 0 6.623 1.408 7.368 123 1 1 0 6.439 2.092 8.596 124 1 1 0 5.863 3.385 8.596 125 1 1 0 5.477 3.98 7.368 126 1 1 0 4.53 5.031 7.368 127 1 1 0 3.98 5.477 8.596 128 1 1 0 2.754 6.185 8.596 129 1 1 0 2.092 6.439 7.368 130 1 1 0 0.708 6.733 7.368 131 1 1 0 0 6.77 8.596 132 1 1 0 -1.408 6.623 8.596 133 1 1 0 -2.092 6.439 7.368 134 1 1 0 -3.385 5.863 7.368 135 1 1 0 -3.98 5.477 8.596 136 1 1 0 -5.031 4.53 8.596 137 1 1 0 -5.477 3.98 7.368 138 1 1 0 -6.185 2.754 7.368 139 1 1 0 -6.439 2.092 8.596 140 1 1 0 -6.733 0.708 8.596 141 1 1 0 -6.77 0 7.368 142 1 1 0 -6.623 -1.408 7.368 143 1 1 0 -6.439 -2.092 8.596 144 1 1 0 -5.863 -3.385 8.596 145 1 1 0 -5.477 -3.98 7.368 146 1 1 0 -4.53 -5.031 7.368 147 1 1 0 -3.98 -5.477 8.596 148 1 1 0 -2.754 -6.185 8.596 149 1 1 0 -2.092 -6.439 7.368 150 1 1 0 -0.708 -6.733 7.368 151 1 1 0 0 -6.77 8.596 152 1 1 0 1.408 -6.623 8.596 153 1 1 0 2.092 -6.439 7.368 154 1 1 0 3.385 -5.863 7.368 155 1 1 0 3.98 -5.477 8.596 156 1 1 0 5.031 -4.53 8.596 157 1 1 0 5.477 -3.98 7.368 158 1 1 0 6.185 -2.754 7.368 159 1 1 0 6.439 -2.092 8.596 160 1 1 0 6.733 -0.708 8.596 161 1 1 0 6.77 0 9.824 162 1 1 0 6.623 1.408 9.824 163 1 1 0 6.439 2.092 11.052 164 1 1 0 5.863 3.385 11.052 165 1 1 0 5.477 3.98 9.824 166 1 1 0 4.53 5.031 9.824 167 1 1 0 3.98 5.477 11.052 168 1 1 0 2.754 6.185 11.052 169 1 1 0 2.092 6.439 9.824 170 1 1 0 0.708 6.733 9.824 171 1 1 0 0 6.77 11.052 172 1 1 0 -1.408 6.623 11.052 173 1 1 0 -2.092 6.439 9.824 174 1 1 0 -3.385 5.863 9.824 175 1 1 0 -3.98 5.477 11.052 176 1 1 0 -5.031 4.53 11.052 177 1 1 0 -5.477 3.98 9.824 178 1 1 0 -6.185 2.754 9.824 179 1 1 0 -6.439 2.092 11.052 180 1 1 0 -6.733 0.708 11.052 181 1 1 0 -6.77 0 9.824 182 1 1 0 -6.623 -1.408 9.824 183 1 1 0 -6.439 -2.092 11.052 184 1 1 0 -5.863 -3.385 11.052 185 1 1 0 -5.477 -3.98 9.824 186 1 1 0 -4.53 -5.031 9.824 187 1 1 0 -3.98 -5.477 11.052 188 1 1 0 -2.754 -6.185 11.052 189 1 1 0 -2.092 -6.439 9.824 190 1 1 0 -0.708 -6.733 9.824 191 1 1 0 0 -6.77 11.052 192 1 1 0 1.408 -6.623 11.052 193 1 1 0 2.092 -6.439 9.824 194 1 1 0 3.385 -5.863 9.824 195 1 1 0 3.98 -5.477 11.052 196 1 1 0 5.031 -4.53 11.052 197 1 1 0 5.477 -3.98 9.824 198 1 1 0 6.185 -2.754 9.824 199 1 1 0 6.439 -2.092 11.052 200 1 1 0 6.733 -0.708 11.052 201 1 1 0 6.77 0 12.28 202 1 1 0 6.623 1.408 12.28 203 1 1 0 6.439 2.092 13.508 204 1 1 0 5.863 3.385 13.508 205 1 1 0 5.477 3.98 12.28 206 1 1 0 4.53 5.031 12.28 207 1 1 0 3.98 5.477 13.508 208 1 1 0 2.754 6.185 13.508 209 1 1 0 2.092 6.439 12.28 210 1 1 0 0.708 6.733 12.28 211 1 1 0 0 6.77 13.508 212 1 1 0 -1.408 6.623 13.508 213 1 1 0 -2.092 6.439 12.28 214 1 1 0 -3.385 5.863 12.28 215 1 1 0 -3.98 5.477 13.508 216 1 1 0 -5.031 4.53 13.508 217 1 1 0 -5.477 3.98 12.28 218 1 1 0 -6.185 2.754 12.28 219 1 1 0 -6.439 2.092 13.508 220 1 1 0 -6.733 0.708 13.508 221 1 1 0 -6.77 0 12.28 222 1 1 0 -6.623 -1.408 12.28 223 1 1 0 -6.439 -2.092 13.508 224 1 1 0 -5.863 -3.385 13.508 225 1 1 0 -5.477 -3.98 12.28 226 1 1 0 -4.53 -5.031 12.28 227 1 1 0 -3.98 -5.477 13.508 228 1 1 0 -2.754 -6.185 13.508 229 1 1 0 -2.092 -6.439 12.28 230 1 1 0 -0.708 -6.733 12.28 231 1 1 0 0 -6.77 13.508 232 1 1 0 1.408 -6.623 13.508 233 1 1 0 2.092 -6.439 12.28 234 1 1 0 3.385 -5.863 12.28 235 1 1 0 3.98 -5.477 13.508 236 1 1 0 5.031 -4.53 13.508 237 1 1 0 5.477 -3.98 12.28 238 1 1 0 6.185 -2.754 12.28 239 1 1 0 6.439 -2.092 13.508 240 1 1 0 6.733 -0.708 13.508 241 1 1 0 6.77 0 14.736 242 1 1 0 6.623 1.408 14.736 243 1 1 0 6.439 2.092 15.964 244 1 1 0 5.863 3.385 15.964 245 1 1 0 5.477 3.98 14.736 246 1 1 0 4.53 5.031 14.736 247 1 1 0 3.98 5.477 15.964 248 1 1 0 2.754 6.185 15.964 249 1 1 0 2.092 6.439 14.736 250 1 1 0 0.708 6.733 14.736 251 1 1 0 0 6.77 15.964 252 1 1 0 -1.408 6.623 15.964 253 1 1 0 -2.092 6.439 14.736 254 1 1 0 -3.385 5.863 14.736 255 1 1 0 -3.98 5.477 15.964 256 1 1 0 -5.031 4.53 15.964 257 1 1 0 -5.477 3.98 14.736 258 1 1 0 -6.185 2.754 14.736 259 1 1 0 -6.439 2.092 15.964 260 1 1 0 -6.733 0.708 15.964 261 1 1 0 -6.77 0 14.736 262 1 1 0 -6.623 -1.408 14.736 263 1 1 0 -6.439 -2.092 15.964 264 1 1 0 -5.863 -3.385 15.964 265 1 1 0 -5.477 -3.98 14.736 266 1 1 0 -4.53 -5.031 14.736 267 1 1 0 -3.98 -5.477 15.964 268 1 1 0 -2.754 -6.185 15.964 269 1 1 0 -2.092 -6.439 14.736 270 1 1 0 -0.708 -6.733 14.736 271 1 1 0 0 -6.77 15.964 272 1 1 0 1.408 -6.623 15.964 273 1 1 0 2.092 -6.439 14.736 274 1 1 0 3.385 -5.863 14.736 275 1 1 0 3.98 -5.477 15.964 276 1 1 0 5.031 -4.53 15.964 277 1 1 0 5.477 -3.98 14.736 278 1 1 0 6.185 -2.754 14.736 279 1 1 0 6.439 -2.092 15.964 280 1 1 0 6.733 -0.708 15.964 281 1 1 0 6.77 0 17.192 282 1 1 0 6.623 1.408 17.192 283 1 1 0 6.439 2.092 18.42 284 1 1 0 5.863 3.385 18.42 285 1 1 0 5.477 3.98 17.192 286 1 1 0 4.53 5.031 17.192 287 1 1 0 3.98 5.477 18.42 288 1 1 0 2.754 6.185 18.42 289 1 1 0 2.092 6.439 17.192 290 1 1 0 0.708 6.733 17.192 291 1 1 0 0 6.77 18.42 292 1 1 0 -1.408 6.623 18.42 293 1 1 0 -2.092 6.439 17.192 294 1 1 0 -3.385 5.863 17.192 295 1 1 0 -3.98 5.477 18.42 296 1 1 0 -5.031 4.53 18.42 297 1 1 0 -5.477 3.98 17.192 298 1 1 0 -6.185 2.754 17.192 299 1 1 0 -6.439 2.092 18.42 300 1 1 0 -6.733 0.708 18.42 301 1 1 0 -6.77 0 17.192 302 1 1 0 -6.623 -1.408 17.192 303 1 1 0 -6.439 -2.092 18.42 304 1 1 0 -5.863 -3.385 18.42 305 1 1 0 -5.477 -3.98 17.192 306 1 1 0 -4.53 -5.031 17.192 307 1 1 0 -3.98 -5.477 18.42 308 1 1 0 -2.754 -6.185 18.42 309 1 1 0 -2.092 -6.439 17.192 310 1 1 0 -0.708 -6.733 17.192 311 1 1 0 0 -6.77 18.42 312 1 1 0 1.408 -6.623 18.42 313 1 1 0 2.092 -6.439 17.192 314 1 1 0 3.385 -5.863 17.192 315 1 1 0 3.98 -5.477 18.42 316 1 1 0 5.031 -4.53 18.42 317 1 1 0 5.477 -3.98 17.192 318 1 1 0 6.185 -2.754 17.192 319 1 1 0 6.439 -2.092 18.42 320 1 1 0 6.733 -0.708 18.42 321 1 1 0 6.77 0 19.648 322 1 1 0 6.623 1.408 19.648 323 1 1 0 6.439 2.092 20.876 324 1 1 0 5.863 3.385 20.876 325 1 1 0 5.477 3.98 19.648 326 1 1 0 4.53 5.031 19.648 327 1 1 0 3.98 5.477 20.876 328 1 1 0 2.754 6.185 20.876 329 1 1 0 2.092 6.439 19.648 330 1 1 0 0.708 6.733 19.648 331 1 1 0 0 6.77 20.876 332 1 1 0 -1.408 6.623 20.876 333 1 1 0 -2.092 6.439 19.648 334 1 1 0 -3.385 5.863 19.648 335 1 1 0 -3.98 5.477 20.876 336 1 1 0 -5.031 4.53 20.876 337 1 1 0 -5.477 3.98 19.648 338 1 1 0 -6.185 2.754 19.648 339 1 1 0 -6.439 2.092 20.876 340 1 1 0 -6.733 0.708 20.876 341 1 1 0 -6.77 0 19.648 342 1 1 0 -6.623 -1.408 19.648 343 1 1 0 -6.439 -2.092 20.876 344 1 1 0 -5.863 -3.385 20.876 345 1 1 0 -5.477 -3.98 19.648 346 1 1 0 -4.53 -5.031 19.648 347 1 1 0 -3.98 -5.477 20.876 348 1 1 0 -2.754 -6.185 20.876 349 1 1 0 -2.092 -6.439 19.648 350 1 1 0 -0.708 -6.733 19.648 351 1 1 0 0 -6.77 20.876 352 1 1 0 1.408 -6.623 20.876 353 1 1 0 2.092 -6.439 19.648 354 1 1 0 3.385 -5.863 19.648 355 1 1 0 3.98 -5.477 20.876 356 1 1 0 5.031 -4.53 20.876 357 1 1 0 5.477 -3.98 19.648 358 1 1 0 6.185 -2.754 19.648 359 1 1 0 6.439 -2.092 20.876 360 1 1 0 6.733 -0.708 20.876 361 1 1 0 6.77 0 22.104 362 1 1 0 6.623 1.408 22.104 363 1 1 0 6.439 2.092 23.332 364 1 1 0 5.863 3.385 23.332 365 1 1 0 5.477 3.98 22.104 366 1 1 0 4.53 5.031 22.104 367 1 1 0 3.98 5.477 23.332 368 1 1 0 2.754 6.185 23.332 369 1 1 0 2.092 6.439 22.104 370 1 1 0 0.708 6.733 22.104 371 1 1 0 0 6.77 23.332 372 1 1 0 -1.408 6.623 23.332 373 1 1 0 -2.092 6.439 22.104 374 1 1 0 -3.385 5.863 22.104 375 1 1 0 -3.98 5.477 23.332 376 1 1 0 -5.031 4.53 23.332 377 1 1 0 -5.477 3.98 22.104 378 1 1 0 -6.185 2.754 22.104 379 1 1 0 -6.439 2.092 23.332 380 1 1 0 -6.733 0.708 23.332 381 1 1 0 -6.77 0 22.104 382 1 1 0 -6.623 -1.408 22.104 383 1 1 0 -6.439 -2.092 23.332 384 1 1 0 -5.863 -3.385 23.332 385 1 1 0 -5.477 -3.98 22.104 386 1 1 0 -4.53 -5.031 22.104 387 1 1 0 -3.98 -5.477 23.332 388 1 1 0 -2.754 -6.185 23.332 389 1 1 0 -2.092 -6.439 22.104 390 1 1 0 -0.708 -6.733 22.104 391 1 1 0 0 -6.77 23.332 392 1 1 0 1.408 -6.623 23.332 393 1 1 0 2.092 -6.439 22.104 394 1 1 0 3.385 -5.863 22.104 395 1 1 0 3.98 -5.477 23.332 396 1 1 0 5.031 -4.53 23.332 397 1 1 0 5.477 -3.98 22.104 398 1 1 0 6.185 -2.754 22.104 399 1 1 0 6.439 -2.092 23.332 400 1 1 0 6.733 -0.708 23.332 401 1 1 0 6.77 0 24.56 402 1 1 0 6.623 1.408 24.56 403 1 1 0 6.439 2.092 25.789 404 1 1 0 5.863 3.385 25.789 405 1 1 0 5.477 3.98 24.56 406 1 1 0 4.53 5.031 24.56 407 1 1 0 3.98 5.477 25.789 408 1 1 0 2.754 6.185 25.789 409 1 1 0 2.092 6.439 24.56 410 1 1 0 0.708 6.733 24.56 411 1 1 0 0 6.77 25.789 412 1 1 0 -1.408 6.623 25.789 413 1 1 0 -2.092 6.439 24.56 414 1 1 0 -3.385 5.863 24.56 415 1 1 0 -3.98 5.477 25.789 416 1 1 0 -5.031 4.53 25.789 417 1 1 0 -5.477 3.98 24.56 418 1 1 0 -6.185 2.754 24.56 419 1 1 0 -6.439 2.092 25.789 420 1 1 0 -6.733 0.708 25.789 421 1 1 0 -6.77 0 24.56 422 1 1 0 -6.623 -1.408 24.56 423 1 1 0 -6.439 -2.092 25.789 424 1 1 0 -5.863 -3.385 25.789 425 1 1 0 -5.477 -3.98 24.56 426 1 1 0 -4.53 -5.031 24.56 427 1 1 0 -3.98 -5.477 25.789 428 1 1 0 -2.754 -6.185 25.789 429 1 1 0 -2.092 -6.439 24.56 430 1 1 0 -0.708 -6.733 24.56 431 1 1 0 0 -6.77 25.789 432 1 1 0 1.408 -6.623 25.789 433 1 1 0 2.092 -6.439 24.56 434 1 1 0 3.385 -5.863 24.56 435 1 1 0 3.98 -5.477 25.789 436 1 1 0 5.031 -4.53 25.789 437 1 1 0 5.477 -3.98 24.56 438 1 1 0 6.185 -2.754 24.56 439 1 1 0 6.439 -2.092 25.789 440 1 1 0 6.733 -0.708 25.789 441 1 1 0 6.77 0 27.017 442 1 1 0 6.623 1.408 27.017 443 1 1 0 6.439 2.092 28.245 444 1 1 0 5.863 3.385 28.245 445 1 1 0 5.477 3.98 27.017 446 1 1 0 4.53 5.031 27.017 447 1 1 0 3.98 5.477 28.245 448 1 1 0 2.754 6.185 28.245 449 1 1 0 2.092 6.439 27.017 450 1 1 0 0.708 6.733 27.017 451 1 1 0 0 6.77 28.245 452 1 1 0 -1.408 6.623 28.245 453 1 1 0 -2.092 6.439 27.017 454 1 1 0 -3.385 5.863 27.017 455 1 1 0 -3.98 5.477 28.245 456 1 1 0 -5.031 4.53 28.245 457 1 1 0 -5.477 3.98 27.017 458 1 1 0 -6.185 2.754 27.017 459 1 1 0 -6.439 2.092 28.245 460 1 1 0 -6.733 0.708 28.245 461 1 1 0 -6.77 0 27.017 462 1 1 0 -6.623 -1.408 27.017 463 1 1 0 -6.439 -2.092 28.245 464 1 1 0 -5.863 -3.385 28.245 465 1 1 0 -5.477 -3.98 27.017 466 1 1 0 -4.53 -5.031 27.017 467 1 1 0 -3.98 -5.477 28.245 468 1 1 0 -2.754 -6.185 28.245 469 1 1 0 -2.092 -6.439 27.017 470 1 1 0 -0.708 -6.733 27.017 471 1 1 0 0 -6.77 28.245 472 1 1 0 1.408 -6.623 28.245 473 1 1 0 2.092 -6.439 27.017 474 1 1 0 3.385 -5.863 27.017 475 1 1 0 3.98 -5.477 28.245 476 1 1 0 5.031 -4.53 28.245 477 1 1 0 5.477 -3.98 27.017 478 1 1 0 6.185 -2.754 27.017 479 1 1 0 6.439 -2.092 28.245 480 1 1 0 6.733 -0.708 28.245 481 1 1 0 6.77 0 29.473 482 1 1 0 6.623 1.408 29.473 483 1 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