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13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 12 13 13 %FLAG NUMBER_EXCLUDED_ATOMS %FORMAT(10I8) 14 6 15 8 12 4 6 4 3 2 1 1 10 6 5 1 9 5 8 6 5 5 3 2 1 1 1 5 8 13 6 13 14 8 8 4 3 2 1 10 6 5 1 7 5 4 1 3 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 %FLAG NONBONDED_PARM_INDEX %FORMAT(10I8) 1 2 4 7 11 16 22 29 37 46 56 67 79 2 3 5 8 12 17 23 30 38 47 57 68 80 4 5 6 9 13 18 24 31 39 48 58 69 81 7 8 9 10 14 19 25 32 40 49 59 70 82 11 12 13 14 15 20 26 33 41 50 60 71 83 16 17 18 19 20 21 27 34 42 51 61 72 84 22 23 24 25 26 27 28 35 43 52 62 73 85 29 30 31 32 33 34 35 36 44 53 63 74 86 37 38 39 40 41 42 43 44 45 54 64 75 87 46 47 48 49 50 51 52 53 54 55 65 76 88 56 57 58 59 60 61 62 63 64 65 66 77 89 67 68 69 70 71 72 73 74 75 76 77 78 -1 79 80 81 82 83 84 85 86 87 88 89 -1 91 %FLAG RESIDUE_LABEL %FORMAT(20a4) 4YA ROH 0LB WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT %FLAG RESIDUE_POINTER %FORMAT(10I8) 1 28 30 52 55 58 61 64 67 70 73 76 79 82 85 88 91 94 97 100 103 106 109 112 115 118 121 124 127 130 133 136 139 142 145 148 151 154 157 160 163 166 169 172 175 178 181 184 187 190 193 196 199 202 205 208 211 214 217 220 223 226 229 232 235 238 241 244 247 250 253 256 259 262 265 268 271 274 277 280 283 286 289 292 295 298 301 304 307 310 313 316 319 322 325 328 331 334 337 340 343 346 349 352 355 358 361 364 367 370 373 376 379 382 385 388 391 394 397 400 403 406 409 412 415 418 421 424 427 430 433 436 439 442 445 448 451 454 457 460 463 466 469 472 475 478 481 484 487 490 493 496 499 502 505 508 511 514 517 520 523 526 529 532 535 538 541 544 547 550 553 556 559 562 565 568 571 574 577 580 583 586 589 592 595 598 601 604 607 610 613 616 619 622 625 628 631 634 637 640 643 646 649 652 655 658 661 664 667 670 673 676 679 682 685 688 691 694 697 700 703 706 709 712 715 718 721 724 727 730 733 736 739 742 745 748 751 754 757 760 763 766 769 772 775 778 781 784 787 790 793 796 799 802 805 808 811 814 817 820 823 826 829 832 835 838 841 844 847 850 853 856 859 862 865 868 871 874 877 880 883 886 889 892 895 898 901 904 907 910 913 916 919 922 925 928 931 934 937 940 943 946 949 952 955 958 961 964 967 970 973 976 979 982 985 988 991 994 997 1000 1003 1006 1009 1012 1015 1018 1021 1024 1027 1030 1033 1036 1039 1042 1045 1048 1051 1054 1057 1060 1063 1066 1069 1072 1075 1078 1081 1084 1087 1090 1093 1096 1099 1102 1105 1108 1111 1114 1117 1120 1123 1126 1129 1132 1135 1138 1141 1144 1147 1150 1153 1156 1159 1162 1165 1168 1171 1174 1177 1180 1183 1186 1189 1192 1195 1198 1201 1204 1207 1210 1213 1216 1219 1222 1225 1228 1231 1234 1237 1240 1243 1246 1249 1252 1255 1258 1261 1264 1267 1270 1273 1276 1279 1282 1285 1288 1291 1294 1297 1300 1303 1306 1309 1312 1315 1318 1321 1324 1327 1330 1333 1336 1339 1342 1345 1348 1351 1354 1357 1360 1363 1366 1369 1372 1375 1378 1381 1384 1387 1390 1393 1396 1399 1402 1405 1408 1411 1414 1417 1420 1423 1426 1429 1432 1435 1438 1441 1444 1447 1450 1453 1456 1459 1462 1465 1468 1471 1474 1477 1480 1483 %FLAG BOND_FORCE_CONSTANT %FORMAT(5E16.8) 5.53000000E+02 3.40000000E+02 3.20000000E+02 2.85000000E+02 3.10000000E+02 3.40000000E+02 5.70000000E+02 2.20000000E+02 4.34000000E+02 4.90000000E+02 3.37000000E+02 3.40000000E+02 5.53000000E+02 5.53000000E+02 %FLAG BOND_EQUIL_VALUE %FORMAT(5E16.8) 9.60000000E-01 1.09000000E+00 1.43000000E+00 1.46000000E+00 1.52000000E+00 1.09000000E+00 1.22900000E+00 1.53000000E+00 1.01000000E+00 1.33500000E+00 1.45000000E+00 1.09000000E+00 9.57200000E-01 1.51360000E+00 %FLAG ANGLE_FORCE_CONSTANT %FORMAT(5E16.8) 6.00000000E+01 4.50000000E+01 5.50000000E+01 7.00000000E+01 6.00000000E+01 4.50000000E+01 7.00000000E+01 4.50000000E+01 4.00000000E+01 8.00000000E+01 5.00000000E+01 3.00000000E+01 8.00000000E+01 8.00000000E+01 7.00000000E+01 5.00000000E+01 3.00000000E+01 5.00000000E+01 4.50000000E+01 6.00000000E+01 5.00000000E+01 6.00000000E+01 1.00000000E+02 %FLAG ANGLE_EQUIL_VALUE %FORMAT(5E16.8) 1.91986300E+00 1.91113635E+00 1.91113635E+00 1.89368305E+00 1.91986300E+00 1.93731630E+00 1.87622975E+00 1.98094955E+00 1.91113635E+00 2.12406661E+00 1.91113635E+00 2.12930260E+00 1.91462701E+00 2.14501057E+00 2.01760148E+00 1.91113635E+00 2.05948940E+00 2.09439600E+00 1.93731630E+00 1.91986300E+00 1.94778828E+00 1.91986300E+00 1.95476960E+00 %FLAG DIHEDRAL_FORCE_CONSTANT %FORMAT(5E16.8) 1.80000000E-01 -2.70000000E-01 8.20000000E-01 5.00000000E-02 -1.10000000E+00 2.50000000E-01 1.70000000E-01 1.50000000E-01 1.00000000E-01 4.50000000E-01 0.00000000E+00 2.00000000E+00 -2.50000000E+00 0.00000000E+00 -1.30000000E+00 -1.50000000E+00 4.00000000E-01 1.00000000E+00 -1.00000000E+00 1.60000000E-01 -2.80000000E+00 -2.70000000E+00 6.00000000E-01 2.70000000E-01 3.00000000E-01 1.27000000E+00 3.70000000E-01 -1.00000000E-01 9.50000000E-01 5.50000000E-01 1.05000000E+01 1.50000000E+00 %FLAG DIHEDRAL_PERIODICITY %FORMAT(5E16.8) 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 3.00000000E+00 3.00000000E+00 1.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 1.00000000E+00 3.00000000E+00 2.00000000E+00 2.00000000E+00 2.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 2.00000000E+00 2.00000000E+00 %FLAG DIHEDRAL_PHASE %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 3.14159400E+00 3.14159400E+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 %FLAG LENNARD_JONES_ACOEF %FORMAT(5E16.8) 1.04308023E+06 4.68930885E+04 1.32801250E+03 6.78771368E+04 2.09814978E+03 3.25969625E+03 9.95480466E+05 4.24594555E+04 6.20665997E+04 9.44293233E+05 2.56678134E+03 3.20009193E+01 5.94667300E+01 2.12601181E+03 1.39982777E-01 9.24822270E+05 4.15766412E+04 6.01816484E+04 8.82619071E+05 2.27577561E+03 8.19971662E+05 6.47841731E+05 2.47595516E+04 3.69471530E+04 6.06829342E+05 1.02595236E+03 5.74393458E+05 3.79876399E+05 9.71708117E+04 3.25969625E+03 4.98586848E+03 8.96776989E+04 1.07193646E+02 8.61541883E+04 5.44261042E+04 7.51607703E+03 7.91544157E+05 3.15360051E+04 4.66922514E+04 7.44975864E+05 1.40467023E+03 7.01803794E+05 4.71003287E+05 6.82786631E+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 6.28541240E+05 2.44050579E+04 3.63097246E+04 5.89818288E+05 1.03954408E+03 5.57281136E+05 3.70622491E+05 5.33379252E+04 4.58874091E+05 0.00000000E+00 3.61397723E+05 7.85891943E+05 3.23214010E+04 4.75704382E+04 7.42361038E+05 1.52066992E+03 6.96792394E+05 4.72924678E+05 6.91745839E+04 5.82502563E+05 0.00000000E+00 4.60243367E+05 5.81923367E+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 %FLAG LENNARD_JONES_BCOEF %FORMAT(5E16.8) 6.75612247E+02 8.81685417E+01 9.13231543E+00 1.06076943E+02 1.14788417E+01 1.43076527E+01 7.36907417E+02 9.36708259E+01 1.13252061E+02 8.01323529E+02 2.06278363E+01 1.41762397E+00 1.93248820E+00 2.09604198E+01 9.37598976E-02 5.99015525E+02 7.81725398E+01 9.40505980E+01 6.53361429E+02 1.82891803E+01 5.31102864E+02 6.26720080E+02 7.54103785E+01 9.21192136E+01 6.77220874E+02 1.53505284E+01 5.55666448E+02 5.64885984E+02 1.26919150E+02 1.43076527E+01 1.76949863E+01 1.36131731E+02 2.59456373E+00 1.12529845E+02 1.11805549E+02 2.17257828E+01 6.93079947E+02 8.51470647E+01 1.03606917E+02 7.50714425E+02 1.79702257E+01 6.14502845E+02 6.29300710E+02 1.25287818E+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 5.85549272E+02 7.10161395E+01 8.66220817E+01 6.33305958E+02 1.46567808E+01 5.19163331E+02 5.29252520E+02 1.04986921E+02 5.89183300E+02 0.00000000E+00 4.95732238E+02 6.36792659E+02 7.94844734E+01 9.64285838E+01 6.91006471E+02 1.72406918E+01 5.64597060E+02 5.81450986E+02 1.16281464E+02 6.45613575E+02 0.00000000E+00 5.44086937E+02 5.95014434E+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 %FLAG BONDS_INC_HYDROGEN %FORMAT(10I8) 72 75 1 63 66 2 63 69 2 54 57 2 48 51 2 42 45 1 36 39 2 24 27 6 24 30 6 24 33 6 12 15 9 6 9 2 0 3 12 81 84 1 147 150 1 141 144 2 135 138 1 129 132 2 123 126 1 117 120 2 111 114 1 102 105 2 102 108 2 96 99 2 87 90 12 156 153 13 159 153 13 159 156 14 165 162 13 168 162 13 168 165 14 174 171 13 177 171 13 177 174 14 183 180 13 186 180 13 186 183 14 192 189 13 195 189 13 195 192 14 201 198 13 204 198 13 204 201 14 210 207 13 213 207 13 213 210 14 219 216 13 222 216 13 222 219 14 228 225 13 231 225 13 231 228 14 237 234 13 240 234 13 240 237 14 246 243 13 249 243 13 249 246 14 255 252 13 258 252 13 258 255 14 264 261 13 267 261 13 267 264 14 273 270 13 276 270 13 276 273 14 282 279 13 285 279 13 285 282 14 291 288 13 294 288 13 294 291 14 300 297 13 303 297 13 303 300 14 309 306 13 312 306 13 312 309 14 318 315 13 321 315 13 321 318 14 327 324 13 330 324 13 330 327 14 336 333 13 339 333 13 339 336 14 345 342 13 348 342 13 348 345 14 354 351 13 357 351 13 357 354 14 363 360 13 366 360 13 366 363 14 372 369 13 375 369 13 375 372 14 381 378 13 384 378 13 384 381 14 390 387 13 393 387 13 393 390 14 399 396 13 402 396 13 402 399 14 408 405 13 411 405 13 411 408 14 417 414 13 420 414 13 420 417 14 426 423 13 429 423 13 429 426 14 435 432 13 438 432 13 438 435 14 444 441 13 447 441 13 447 444 14 453 450 13 456 450 13 456 453 14 462 459 13 465 459 13 465 462 14 471 468 13 474 468 13 474 471 14 480 477 13 483 477 13 483 480 14 489 486 13 492 486 13 492 489 14 498 495 13 501 495 13 501 498 14 507 504 13 510 504 13 510 507 14 516 513 13 519 513 13 519 516 14 525 522 13 528 522 13 528 525 14 534 531 13 537 531 13 537 534 14 543 540 13 546 540 13 546 543 14 552 549 13 555 549 13 555 552 14 561 558 13 564 558 13 564 561 14 570 567 13 573 567 13 573 570 14 579 576 13 582 576 13 582 579 14 588 585 13 591 585 13 591 588 14 597 594 13 600 594 13 600 597 14 606 603 13 609 603 13 609 606 14 615 612 13 618 612 13 618 615 14 624 621 13 627 621 13 627 624 14 633 630 13 636 630 13 636 633 14 642 639 13 645 639 13 645 642 14 651 648 13 654 648 13 654 651 14 660 657 13 663 657 13 663 660 14 669 666 13 672 666 13 672 669 14 678 675 13 681 675 13 681 678 14 687 684 13 690 684 13 690 687 14 696 693 13 699 693 13 699 696 14 705 702 13 708 702 13 708 705 14 714 711 13 717 711 13 717 714 14 723 720 13 726 720 13 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1002 999 13 1005 999 13 1005 1002 14 1011 1008 13 1014 1008 13 1014 1011 14 1020 1017 13 1023 1017 13 1023 1020 14 1029 1026 13 1032 1026 13 1032 1029 14 1038 1035 13 1041 1035 13 1041 1038 14 1047 1044 13 1050 1044 13 1050 1047 14 1056 1053 13 1059 1053 13 1059 1056 14 1065 1062 13 1068 1062 13 1068 1065 14 1074 1071 13 1077 1071 13 1077 1074 14 1083 1080 13 1086 1080 13 1086 1083 14 1092 1089 13 1095 1089 13 1095 1092 14 1101 1098 13 1104 1098 13 1104 1101 14 1110 1107 13 1113 1107 13 1113 1110 14 1119 1116 13 1122 1116 13 1122 1119 14 1128 1125 13 1131 1125 13 1131 1128 14 1137 1134 13 1140 1134 13 1140 1137 14 1146 1143 13 1149 1143 13 1149 1146 14 1155 1152 13 1158 1152 13 1158 1155 14 1164 1161 13 1167 1161 13 1167 1164 14 1173 1170 13 1176 1170 13 1176 1173 14 1182 1179 13 1185 1179 13 1185 1182 14 1191 1188 13 1194 1188 13 1194 1191 14 1200 1197 13 1203 1197 13 1203 1200 14 1209 1206 13 1212 1206 13 1212 1209 14 1218 1215 13 1221 1215 13 1221 1218 14 1227 1224 13 1230 1224 13 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2388 2385 13 2391 2385 13 2391 2388 14 2397 2394 13 2400 2394 13 2400 2397 14 2406 2403 13 2409 2403 13 2409 2406 14 2415 2412 13 2418 2412 13 2418 2415 14 2424 2421 13 2427 2421 13 2427 2424 14 2433 2430 13 2436 2430 13 2436 2433 14 2442 2439 13 2445 2439 13 2445 2442 14 2451 2448 13 2454 2448 13 2454 2451 14 2460 2457 13 2463 2457 13 2463 2460 14 2469 2466 13 2472 2466 13 2472 2469 14 2478 2475 13 2481 2475 13 2481 2478 14 2487 2484 13 2490 2484 13 2490 2487 14 2496 2493 13 2499 2493 13 2499 2496 14 2505 2502 13 2508 2502 13 2508 2505 14 2514 2511 13 2517 2511 13 2517 2514 14 2523 2520 13 2526 2520 13 2526 2523 14 2532 2529 13 2535 2529 13 2535 2532 14 2541 2538 13 2544 2538 13 2544 2541 14 2550 2547 13 2553 2547 13 2553 2550 14 2559 2556 13 2562 2556 13 2562 2559 14 2568 2565 13 2571 2565 13 2571 2568 14 2577 2574 13 2580 2574 13 2580 2577 14 2586 2583 13 2589 2583 13 2589 2586 14 2595 2592 13 2598 2592 13 2598 2595 14 2604 2601 13 2607 2601 13 2607 2604 14 2613 2610 13 2616 2610 13 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3081 3078 13 3084 3078 13 3084 3081 14 3090 3087 13 3093 3087 13 3093 3090 14 3099 3096 13 3102 3096 13 3102 3099 14 3108 3105 13 3111 3105 13 3111 3108 14 3117 3114 13 3120 3114 13 3120 3117 14 3126 3123 13 3129 3123 13 3129 3126 14 3135 3132 13 3138 3132 13 3138 3135 14 3144 3141 13 3147 3141 13 3147 3144 14 3153 3150 13 3156 3150 13 3156 3153 14 3162 3159 13 3165 3159 13 3165 3162 14 3171 3168 13 3174 3168 13 3174 3171 14 3180 3177 13 3183 3177 13 3183 3180 14 3189 3186 13 3192 3186 13 3192 3189 14 3198 3195 13 3201 3195 13 3201 3198 14 3207 3204 13 3210 3204 13 3210 3207 14 3216 3213 13 3219 3213 13 3219 3216 14 3225 3222 13 3228 3222 13 3228 3225 14 3234 3231 13 3237 3231 13 3237 3234 14 3243 3240 13 3246 3240 13 3246 3243 14 3252 3249 13 3255 3249 13 3255 3252 14 3261 3258 13 3264 3258 13 3264 3261 14 3270 3267 13 3273 3267 13 3273 3270 14 3279 3276 13 3282 3276 13 3282 3279 14 3288 3285 13 3291 3285 13 3291 3288 14 3297 3294 13 3300 3294 13 3300 3297 14 3306 3303 13 3309 3303 13 3309 3306 14 3315 3312 13 3318 3312 13 3318 3315 14 3324 3321 13 3327 3321 13 3327 3324 14 3333 3330 13 3336 3330 13 3336 3333 14 3342 3339 13 3345 3339 13 3345 3342 14 3351 3348 13 3354 3348 13 3354 3351 14 3360 3357 13 3363 3357 13 3363 3360 14 3369 3366 13 3372 3366 13 3372 3369 14 3378 3375 13 3381 3375 13 3381 3378 14 3387 3384 13 3390 3384 13 3390 3387 14 3396 3393 13 3399 3393 13 3399 3396 14 3405 3402 13 3408 3402 13 3408 3405 14 3414 3411 13 3417 3411 13 3417 3414 14 3423 3420 13 3426 3420 13 3426 3423 14 3432 3429 13 3435 3429 13 3435 3432 14 3441 3438 13 3444 3438 13 3444 3441 14 3450 3447 13 3453 3447 13 3453 3450 14 3459 3456 13 3462 3456 13 3462 3459 14 3468 3465 13 3471 3465 13 3471 3468 14 3477 3474 13 3480 3474 13 3480 3477 14 3486 3483 13 3489 3483 13 3489 3486 14 3495 3492 13 3498 3492 13 3498 3495 14 3504 3501 13 3507 3501 13 3507 3504 14 3513 3510 13 3516 3510 13 3516 3513 14 3522 3519 13 3525 3519 13 3525 3522 14 3531 3528 13 3534 3528 13 3534 3531 14 3540 3537 13 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3774 3771 13 3777 3771 13 3777 3774 14 3783 3780 13 3786 3780 13 3786 3783 14 3792 3789 13 3795 3789 13 3795 3792 14 3801 3798 13 3804 3798 13 3804 3801 14 3810 3807 13 3813 3807 13 3813 3810 14 3819 3816 13 3822 3816 13 3822 3819 14 3828 3825 13 3831 3825 13 3831 3828 14 3837 3834 13 3840 3834 13 3840 3837 14 3846 3843 13 3849 3843 13 3849 3846 14 3855 3852 13 3858 3852 13 3858 3855 14 3864 3861 13 3867 3861 13 3867 3864 14 3873 3870 13 3876 3870 13 3876 3873 14 3882 3879 13 3885 3879 13 3885 3882 14 3891 3888 13 3894 3888 13 3894 3891 14 3900 3897 13 3903 3897 13 3903 3900 14 3909 3906 13 3912 3906 13 3912 3909 14 3918 3915 13 3921 3915 13 3921 3918 14 3927 3924 13 3930 3924 13 3930 3927 14 3936 3933 13 3939 3933 13 3939 3936 14 3945 3942 13 3948 3942 13 3948 3945 14 3954 3951 13 3957 3951 13 3957 3954 14 3963 3960 13 3966 3960 13 3966 3963 14 3972 3969 13 3975 3969 13 3975 3972 14 3981 3978 13 3984 3978 13 3984 3981 14 3990 3987 13 3993 3987 13 3993 3990 14 3999 3996 13 4002 3996 13 4002 3999 14 4008 4005 13 4011 4005 13 4011 4008 14 4017 4014 13 4020 4014 13 4020 4017 14 4026 4023 13 4029 4023 13 4029 4026 14 4035 4032 13 4038 4032 13 4038 4035 14 4044 4041 13 4047 4041 13 4047 4044 14 4053 4050 13 4056 4050 13 4056 4053 14 4062 4059 13 4065 4059 13 4065 4062 14 4071 4068 13 4074 4068 13 4074 4071 14 4080 4077 13 4083 4077 13 4083 4080 14 4089 4086 13 4092 4086 13 4092 4089 14 4098 4095 13 4101 4095 13 4101 4098 14 4107 4104 13 4110 4104 13 4110 4107 14 4116 4113 13 4119 4113 13 4119 4116 14 4125 4122 13 4128 4122 13 4128 4125 14 4134 4131 13 4137 4131 13 4137 4134 14 4143 4140 13 4146 4140 13 4146 4143 14 4152 4149 13 4155 4149 13 4155 4152 14 4161 4158 13 4164 4158 13 4164 4161 14 4170 4167 13 4173 4167 13 4173 4170 14 4179 4176 13 4182 4176 13 4182 4179 14 4188 4185 13 4191 4185 13 4191 4188 14 4197 4194 13 4200 4194 13 4200 4197 14 4206 4203 13 4209 4203 13 4209 4206 14 4215 4212 13 4218 4212 13 4218 4215 14 4224 4221 13 4227 4221 13 4227 4224 14 4233 4230 13 4236 4230 13 4236 4233 14 4242 4239 13 4245 4239 13 4245 4242 14 4251 4248 13 4254 4248 13 4254 4251 14 4260 4257 13 4263 4257 13 4263 4260 14 4269 4266 13 4272 4266 13 4272 4269 14 4278 4275 13 4281 4275 13 4281 4278 14 4287 4284 13 4290 4284 13 4290 4287 14 4296 4293 13 4299 4293 13 4299 4296 14 4305 4302 13 4308 4302 13 4308 4305 14 4314 4311 13 4317 4311 13 4317 4314 14 4323 4320 13 4326 4320 13 4326 4323 14 4332 4329 13 4335 4329 13 4335 4332 14 4341 4338 13 4344 4338 13 4344 4341 14 4350 4347 13 4353 4347 13 4353 4350 14 4359 4356 13 4362 4356 13 4362 4359 14 4368 4365 13 4371 4365 13 4371 4368 14 4377 4374 13 4380 4374 13 4380 4377 14 4386 4383 13 4389 4383 13 4389 4386 14 4395 4392 13 4398 4392 13 4398 4395 14 4404 4401 13 4407 4401 13 4407 4404 14 4413 4410 13 4416 4410 13 4416 4413 14 4422 4419 13 4425 4419 13 4425 4422 14 4431 4428 13 4434 4428 13 4434 4431 14 4440 4437 13 4443 4437 13 4443 4440 14 4449 4446 13 4452 4446 13 4452 4449 14 %FLAG BONDS_WITHOUT_HYDROGEN %FORMAT(10I8) 63 72 3 54 60 4 54 63 5 48 54 5 48 78 4 36 42 3 36 48 5 18 21 7 18 24 8 12 18 10 6 12 11 6 36 5 0 6 5 0 60 4 84 87 3 141 147 3 129 135 3 129 141 5 117 123 3 117 129 5 102 111 3 96 102 5 96 117 5 93 96 4 87 93 4 87 141 5 %FLAG ANGLES_INC_HYDROGEN %FORMAT(10I8) 69 63 72 1 66 63 69 2 66 63 72 1 63 72 75 3 57 54 60 5 57 54 63 6 54 63 66 6 54 63 69 6 51 48 54 6 51 48 78 5 48 54 57 6 39 36 42 1 39 36 48 6 36 42 45 3 36 48 51 6 30 24 33 9 27 24 30 9 27 24 33 9 18 24 27 11 18 24 30 11 18 24 33 11 15 12 18 12 9 6 12 16 9 6 36 6 6 12 15 17 6 36 39 6 3 0 6 19 3 0 60 20 0 6 9 6 84 87 90 22 81 84 87 3 144 141 147 1 141 147 150 3 132 129 135 1 132 129 141 6 129 135 138 3 129 141 144 6 120 117 123 1 120 117 129 6 117 123 126 3 117 129 132 6 108 102 111 1 105 102 108 2 105 102 111 1 102 111 114 3 99 96 102 6 99 96 117 6 96 102 105 6 96 102 108 6 96 117 120 6 93 96 99 5 90 87 93 20 90 87 141 19 87 141 144 6 %FLAG ANGLES_WITHOUT_HYDROGEN %FORMAT(10I8) 60 54 63 4 54 48 78 4 54 63 72 7 48 54 60 4 48 54 63 8 42 36 48 7 36 48 54 8 36 48 78 4 21 18 24 10 12 6 36 13 12 18 21 14 12 18 24 15 6 0 60 4 6 12 18 18 6 36 42 7 6 36 48 8 0 6 12 13 0 6 36 8 0 60 54 21 84 87 93 23 84 87 141 7 135 129 141 7 129 141 147 7 123 117 129 7 117 129 135 7 117 129 141 8 102 96 117 8 96 102 111 7 96 117 123 7 96 117 129 8 93 87 141 4 93 96 102 4 93 96 117 4 87 93 96 21 87 141 129 8 87 141 147 7 %FLAG DIHEDRALS_INC_HYDROGEN %FORMAT(10I8) 69 63 72 75 1 66 63 72 75 1 60 54 63 66 4 60 54 63 69 4 57 54 48 78 4 57 54 63 66 7 57 54 63 69 7 57 54 63 72 4 54 63 72 75 1 51 48 54 57 7 51 48 54 60 4 51 48 54 63 8 48 54 63 66 8 48 54 63 69 8 45 42 36 48 1 42 36 48 51 4 39 36 42 45 1 39 36 48 51 7 39 36 48 54 8 39 36 48 78 4 36 48 54 57 8 21 18 24 27 11 21 18 24 30 11 21 18 24 33 11 15 12 6 36 9 15 12 18 21 12 15 12 -18 21 13 15 12 18 24 14 12 6 36 39 9 12 18 24 27 11 12 18 24 30 11 12 18 24 33 11 60 0 6 9 4 9 6 12 15 18 9 6 12 18 19 9 6 36 39 7 9 6 36 42 4 9 6 36 48 8 6 36 42 45 1 6 36 48 51 8 3 0 6 9 7 3 0 6 12 9 3 0 6 36 8 3 0 60 54 23 3 0 -60 54 9 0 6 12 15 9 0 6 36 39 8 0 60 54 57 24 84 87 141 144 4 81 84 87 90 1 81 84 87 93 1 81 84 87 141 1 144 141 147 150 1 138 135 129 141 1 135 129 141 144 4 132 129 135 138 1 132 129 141 144 7 132 129 141 147 4 129 141 147 150 1 126 123 117 129 1 123 117 129 132 4 120 117 123 126 1 120 117 129 132 7 120 117 129 135 4 120 117 129 141 8 117 129 135 138 1 117 129 141 144 8 108 102 96 117 8 108 102 111 114 1 105 102 96 117 8 105 102 111 114 1 102 96 117 120 8 99 96 102 105 7 99 96 102 108 7 99 96 102 111 4 99 96 117 120 7 99 96 117 123 4 99 96 117 129 8 96 102 111 114 1 96 117 123 126 1 96 117 129 132 8 93 87 141 144 4 93 96 102 105 4 93 96 102 108 4 93 96 117 120 4 90 87 93 96 23 90 87 -93 96 9 90 87 141 129 8 90 87 141 144 7 90 87 141 147 4 87 93 96 99 24 87 141 129 132 8 87 141 147 150 1 6 18 -12 -15 32 %FLAG DIHEDRALS_WITHOUT_HYDROGEN %FORMAT(10I8) 63 54 48 78 2 60 54 48 78 3 60 54 63 72 5 60 54 -63 72 6 48 54 63 72 9 42 36 48 54 9 42 36 48 78 5 42 36 -48 78 6 60 0 6 36 2 36 48 -54 60 2 36 48 54 63 10 18 12 6 36 11 60 0 6 12 15 12 6 36 42 16 12 6 36 48 17 6 0 60 54 20 6 12 18 21 21 6 12 18 24 22 6 36 -48 54 10 6 36 48 78 2 0 6 12 18 11 0 6 36 42 9 0 6 36 48 10 0 60 -54 48 20 0 60 54 63 20 84 87 93 96 25 84 87 -93 96 26 84 87 -93 96 27 84 87 141 129 9 84 87 141 147 28 84 87 -141 147 29 84 87 -141 147 30 135 129 141 147 28 135 129 -141 147 29 135 129 -141 147 30 123 117 129 135 28 123 117 -129 135 29 123 117 -129 135 30 123 117 129 141 9 117 129 141 147 9 111 102 96 117 9 102 96 117 123 9 102 96 117 129 10 96 93 87 141 20 96 117 129 135 9 96 117 -129 141 10 93 87 141 129 2 93 87 141 147 5 93 87 -141 147 6 93 96 102 111 5 93 96 -102 111 6 93 96 117 123 5 93 96 -117 123 6 93 96 -117 129 2 87 93 96 102 20 87 93 96 117 20 87 141 -129 117 10 87 141 129 135 9 12 24 -18 -21 31 %FLAG EXCLUDED_ATOMS_LIST %FORMAT(10I8) 2 3 4 5 6 7 13 14 15 17 19 20 21 22 3 4 5 13 19 21 4 5 6 7 8 9 13 14 15 16 17 18 19 21 27 5 6 7 13 14 15 17 21 6 7 8 9 10 11 12 13 14 15 17 21 7 8 9 13 8 9 10 11 12 13 9 10 11 12 10 11 12 11 12 12 0 14 15 16 17 18 19 20 21 22 27 15 16 17 18 19 27 16 17 18 19 27 17 18 19 20 21 22 23 24 25 27 19 20 21 22 27 20 21 22 23 24 25 26 27 21 22 23 24 25 27 22 23 24 25 27 23 24 25 26 27 24 25 26 25 26 26 0 0 29 30 31 32 48 30 31 32 33 44 48 49 50 31 32 33 34 35 40 44 45 46 48 49 50 51 32 33 44 48 49 50 33 34 35 36 37 38 40 41 42 44 48 49 50 34 35 36 37 38 39 40 41 42 43 44 45 46 48 35 36 37 38 40 41 42 44 36 37 38 39 40 41 42 44 37 38 39 40 38 39 40 39 40 0 41 42 43 44 45 46 47 48 49 50 42 43 44 45 46 48 43 44 45 46 48 44 45 46 47 48 49 50 51 46 47 48 49 50 47 48 49 50 48 49 50 51 50 51 51 0 53 54 54 0 56 57 57 0 59 60 60 0 62 63 63 0 65 66 66 0 68 69 69 0 71 72 72 0 74 75 75 0 77 78 78 0 80 81 81 0 83 84 84 0 86 87 87 0 89 90 90 0 92 93 93 0 95 96 96 0 98 99 99 0 101 102 102 0 104 105 105 0 107 108 108 0 110 111 111 0 113 114 114 0 116 117 117 0 119 120 120 0 122 123 123 0 125 126 126 0 128 129 129 0 131 132 132 0 134 135 135 0 137 138 138 0 140 141 141 0 143 144 144 0 146 147 147 0 149 150 150 0 152 153 153 0 155 156 156 0 158 159 159 0 161 162 162 0 164 165 165 0 167 168 168 0 170 171 171 0 173 174 174 0 176 177 177 0 179 180 180 0 182 183 183 0 185 186 186 0 188 189 189 0 191 192 192 0 194 195 195 0 197 198 198 0 200 201 201 0 203 204 204 0 206 207 207 0 209 210 210 0 212 213 213 0 215 216 216 0 218 219 219 0 221 222 222 0 224 225 225 0 227 228 228 0 230 231 231 0 233 234 234 0 236 237 237 0 239 240 240 0 242 243 243 0 245 246 246 0 248 249 249 0 251 252 252 0 254 255 255 0 257 258 258 0 260 261 261 0 263 264 264 0 266 267 267 0 269 270 270 0 272 273 273 0 275 276 276 0 278 279 279 0 281 282 282 0 284 285 285 0 287 288 288 0 290 291 291 0 293 294 294 0 296 297 297 0 299 300 300 0 302 303 303 0 305 306 306 0 308 309 309 0 311 312 312 0 314 315 315 0 317 318 318 0 320 321 321 0 323 324 324 0 326 327 327 0 329 330 330 0 332 333 333 0 335 336 336 0 338 339 339 0 341 342 342 0 344 345 345 0 347 348 348 0 350 351 351 0 353 354 354 0 356 357 357 0 359 360 360 0 362 363 363 0 365 366 366 0 368 369 369 0 371 372 372 0 374 375 375 0 377 378 378 0 380 381 381 0 383 384 384 0 386 387 387 0 389 390 390 0 392 393 393 0 395 396 396 0 398 399 399 0 401 402 402 0 404 405 405 0 407 408 408 0 410 411 411 0 413 414 414 0 416 417 417 0 419 420 420 0 422 423 423 0 425 426 426 0 428 429 429 0 431 432 432 0 434 435 435 0 437 438 438 0 440 441 441 0 443 444 444 0 446 447 447 0 449 450 450 0 452 453 453 0 455 456 456 0 458 459 459 0 461 462 462 0 464 465 465 0 467 468 468 0 470 471 471 0 473 474 474 0 476 477 477 0 479 480 480 0 482 483 483 0 485 486 486 0 488 489 489 0 491 492 492 0 494 495 495 0 497 498 498 0 500 501 501 0 503 504 504 0 506 507 507 0 509 510 510 0 512 513 513 0 515 516 516 0 518 519 519 0 521 522 522 0 524 525 525 0 527 528 528 0 530 531 531 0 533 534 534 0 536 537 537 0 539 540 540 0 542 543 543 0 545 546 546 0 548 549 549 0 551 552 552 0 554 555 555 0 557 558 558 0 560 561 561 0 563 564 564 0 566 567 567 0 569 570 570 0 572 573 573 0 575 576 576 0 578 579 579 0 581 582 582 0 584 585 585 0 587 588 588 0 590 591 591 0 593 594 594 0 596 597 597 0 599 600 600 0 602 603 603 0 605 606 606 0 608 609 609 0 611 612 612 0 614 615 615 0 617 618 618 0 620 621 621 0 623 624 624 0 626 627 627 0 629 630 630 0 632 633 633 0 635 636 636 0 638 639 639 0 641 642 642 0 644 645 645 0 647 648 648 0 650 651 651 0 653 654 654 0 656 657 657 0 659 660 660 0 662 663 663 0 665 666 666 0 668 669 669 0 671 672 672 0 674 675 675 0 677 678 678 0 680 681 681 0 683 684 684 0 686 687 687 0 689 690 690 0 692 693 693 0 695 696 696 0 698 699 699 0 701 702 702 0 704 705 705 0 707 708 708 0 710 711 711 0 713 714 714 0 716 717 717 0 719 720 720 0 722 723 723 0 725 726 726 0 728 729 729 0 731 732 732 0 734 735 735 0 737 738 738 0 740 741 741 0 743 744 744 0 746 747 747 0 749 750 750 0 752 753 753 0 755 756 756 0 758 759 759 0 761 762 762 0 764 765 765 0 767 768 768 0 770 771 771 0 773 774 774 0 776 777 777 0 779 780 780 0 782 783 783 0 785 786 786 0 788 789 789 0 791 792 792 0 794 795 795 0 797 798 798 0 800 801 801 0 803 804 804 0 806 807 807 0 809 810 810 0 812 813 813 0 815 816 816 0 818 819 819 0 821 822 822 0 824 825 825 0 827 828 828 0 830 831 831 0 833 834 834 0 836 837 837 0 839 840 840 0 842 843 843 0 845 846 846 0 848 849 849 0 851 852 852 0 854 855 855 0 857 858 858 0 860 861 861 0 863 864 864 0 866 867 867 0 869 870 870 0 872 873 873 0 875 876 876 0 878 879 879 0 881 882 882 0 884 885 885 0 887 888 888 0 890 891 891 0 893 894 894 0 896 897 897 0 899 900 900 0 902 903 903 0 905 906 906 0 908 909 909 0 911 912 912 0 914 915 915 0 917 918 918 0 920 921 921 0 923 924 924 0 926 927 927 0 929 930 930 0 932 933 933 0 935 936 936 0 938 939 939 0 941 942 942 0 944 945 945 0 947 948 948 0 950 951 951 0 953 954 954 0 956 957 957 0 959 960 960 0 962 963 963 0 965 966 966 0 968 969 969 0 971 972 972 0 974 975 975 0 977 978 978 0 980 981 981 0 983 984 984 0 986 987 987 0 989 990 990 0 992 993 993 0 995 996 996 0 998 999 999 0 1001 1002 1002 0 1004 1005 1005 0 1007 1008 1008 0 1010 1011 1011 0 1013 1014 1014 0 1016 1017 1017 0 1019 1020 1020 0 1022 1023 1023 0 1025 1026 1026 0 1028 1029 1029 0 1031 1032 1032 0 1034 1035 1035 0 1037 1038 1038 0 1040 1041 1041 0 1043 1044 1044 0 1046 1047 1047 0 1049 1050 1050 0 1052 1053 1053 0 1055 1056 1056 0 1058 1059 1059 0 1061 1062 1062 0 1064 1065 1065 0 1067 1068 1068 0 1070 1071 1071 0 1073 1074 1074 0 1076 1077 1077 0 1079 1080 1080 0 1082 1083 1083 0 1085 1086 1086 0 1088 1089 1089 0 1091 1092 1092 0 1094 1095 1095 0 1097 1098 1098 0 1100 1101 1101 0 1103 1104 1104 0 1106 1107 1107 0 1109 1110 1110 0 1112 1113 1113 0 1115 1116 1116 0 1118 1119 1119 0 1121 1122 1122 0 1124 1125 1125 0 1127 1128 1128 0 1130 1131 1131 0 1133 1134 1134 0 1136 1137 1137 0 1139 1140 1140 0 1142 1143 1143 0 1145 1146 1146 0 1148 1149 1149 0 1151 1152 1152 0 1154 1155 1155 0 1157 1158 1158 0 1160 1161 1161 0 1163 1164 1164 0 1166 1167 1167 0 1169 1170 1170 0 1172 1173 1173 0 1175 1176 1176 0 1178 1179 1179 0 1181 1182 1182 0 1184 1185 1185 0 1187 1188 1188 0 1190 1191 1191 0 1193 1194 1194 0 1196 1197 1197 0 1199 1200 1200 0 1202 1203 1203 0 1205 1206 1206 0 1208 1209 1209 0 1211 1212 1212 0 1214 1215 1215 0 1217 1218 1218 0 1220 1221 1221 0 1223 1224 1224 0 1226 1227 1227 0 1229 1230 1230 0 1232 1233 1233 0 1235 1236 1236 0 1238 1239 1239 0 1241 1242 1242 0 1244 1245 1245 0 1247 1248 1248 0 1250 1251 1251 0 1253 1254 1254 0 1256 1257 1257 0 1259 1260 1260 0 1262 1263 1263 0 1265 1266 1266 0 1268 1269 1269 0 1271 1272 1272 0 1274 1275 1275 0 1277 1278 1278 0 1280 1281 1281 0 1283 1284 1284 0 1286 1287 1287 0 1289 1290 1290 0 1292 1293 1293 0 1295 1296 1296 0 1298 1299 1299 0 1301 1302 1302 0 1304 1305 1305 0 1307 1308 1308 0 1310 1311 1311 0 1313 1314 1314 0 1316 1317 1317 0 1319 1320 1320 0 1322 1323 1323 0 1325 1326 1326 0 1328 1329 1329 0 1331 1332 1332 0 1334 1335 1335 0 1337 1338 1338 0 1340 1341 1341 0 1343 1344 1344 0 1346 1347 1347 0 1349 1350 1350 0 1352 1353 1353 0 1355 1356 1356 0 1358 1359 1359 0 1361 1362 1362 0 1364 1365 1365 0 1367 1368 1368 0 1370 1371 1371 0 1373 1374 1374 0 1376 1377 1377 0 1379 1380 1380 0 1382 1383 1383 0 1385 1386 1386 0 1388 1389 1389 0 1391 1392 1392 0 1394 1395 1395 0 1397 1398 1398 0 1400 1401 1401 0 1403 1404 1404 0 1406 1407 1407 0 1409 1410 1410 0 1412 1413 1413 0 1415 1416 1416 0 1418 1419 1419 0 1421 1422 1422 0 1424 1425 1425 0 1427 1428 1428 0 1430 1431 1431 0 1433 1434 1434 0 1436 1437 1437 0 1439 1440 1440 0 1442 1443 1443 0 1445 1446 1446 0 1448 1449 1449 0 1451 1452 1452 0 1454 1455 1455 0 1457 1458 1458 0 1460 1461 1461 0 1463 1464 1464 0 1466 1467 1467 0 1469 1470 1470 0 1472 1473 1473 0 1475 1476 1476 0 1478 1479 1479 0 1481 1482 1482 0 1484 1485 1485 0 %FLAG HBOND_ACOEF %FORMAT(5E16.8) 0.00000000E+00 %FLAG HBOND_BCOEF %FORMAT(5E16.8) 0.00000000E+00 %FLAG HBCUT %FORMAT(5E16.8) 0.00000000E+00 %FLAG AMBER_ATOM_TYPE %FORMAT(20a4) CG H2 CG H1 N H C O CG HC HC HC CG H1 OH HO CG H1 CG H1 OS CG H1 H1 OH HO OS HO OH CG H2 OS CG H1 CG H1 H1 OH HO CG H1 OH HO CG H1 OH HO CG H1 OH HO OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW %FLAG TREE_CHAIN_CLASSIFICATION %FORMAT(20a4) M E M E B E B E 3 E E E M E S E M E B E S 3 E E S E M M M M E S 3 E 3 E E S E 3 E S E B E S E M E S 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA %FLAG JOIN_ARRAY %FORMAT(10I8) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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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3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 %FLAG BOX_DIMENSIONS %FORMAT(5E16.8) 9.00000000E+01 3.19805380E+01 2.83698670E+01 2.81083790E+01 %FLAG RADIUS_SET %FORMAT(1a80) modified Bondi radii (mbondi) %FLAG RADII %FORMAT(5E16.8) 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.50000000E+00 8.00000000E-01 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.50000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.50000000E+00 8.00000000E-01 1.50000000E+00 8.00000000E-01 1.50000000E+00 1.70000000E+00 1.30000000E+00 1.50000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.50000000E+00 8.00000000E-01 1.70000000E+00 1.30000000E+00 1.50000000E+00 8.00000000E-01 1.70000000E+00 1.30000000E+00 1.50000000E+00 8.00000000E-01 1.70000000E+00 1.30000000E+00 1.50000000E+00 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 1.50000000E+00 8.00000000E-01 8.00000000E-01 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