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1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 1.60000000E+01 1.00800000E+00 1.00800000E+00 %FLAG ATOM_TYPE_INDEX %FORMAT(10I8) 1 2 3 1 2 3 2 4 4 4 4 5 1 4 4 4 4 6 5 7 7 7 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 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9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 8 9 9 %FLAG NUMBER_EXCLUDED_ATOMS %FORMAT(10I8) 8 10 14 12 13 8 5 3 2 1 1 2 5 3 2 1 1 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 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2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 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 2 3 5 8 12 17 23 30 38 4 5 6 9 13 18 24 31 39 7 8 9 10 14 19 25 32 40 11 12 13 14 15 20 26 33 41 16 17 18 19 20 21 27 34 42 22 23 24 25 26 27 28 35 43 29 30 31 32 33 34 35 36 -1 37 38 39 40 41 42 43 -1 45 %FLAG RESIDUE_LABEL %FORMAT(20a4) *** WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT 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 23 26 29 32 35 38 41 44 47 50 53 56 59 62 65 68 71 74 77 80 83 86 89 92 95 98 101 104 107 110 113 116 119 122 125 128 131 134 137 140 143 146 149 152 155 158 161 164 167 170 173 176 179 182 185 188 191 194 197 200 203 206 209 212 215 218 221 224 227 230 233 236 239 242 245 248 251 254 257 260 263 266 269 272 275 278 281 284 287 290 293 296 299 302 305 308 311 314 317 320 323 326 329 332 335 338 341 344 347 350 353 356 359 362 365 368 371 374 377 380 383 386 389 392 395 398 401 404 407 410 413 416 419 422 425 428 431 434 437 440 443 446 449 452 455 458 461 464 467 470 473 476 479 482 485 488 491 494 497 500 503 506 509 512 515 518 521 524 527 530 533 536 539 542 545 548 551 554 557 560 563 566 569 572 575 578 581 584 587 590 593 596 599 602 605 608 611 614 617 620 623 626 629 632 635 638 641 644 647 650 653 656 659 662 665 668 671 674 677 680 683 686 689 692 695 698 701 704 707 710 713 716 719 722 725 728 731 734 737 740 743 746 749 752 755 758 761 764 767 770 773 776 779 782 785 788 791 794 797 800 803 806 809 812 815 818 821 824 827 830 833 836 839 842 845 848 851 854 857 860 863 866 869 872 875 878 881 884 887 890 893 896 899 902 905 908 911 914 917 920 923 926 929 932 935 938 941 944 947 950 953 956 959 962 965 968 971 974 977 980 983 986 989 992 995 998 1001 1004 1007 1010 1013 1016 1019 1022 1025 1028 1031 1034 1037 1040 1043 1046 1049 1052 1055 1058 1061 1064 1067 1070 1073 1076 1079 1082 1085 1088 1091 1094 1097 1100 1103 1106 1109 1112 1115 1118 1121 1124 1127 1130 1133 1136 1139 1142 1145 1148 1151 1154 1157 1160 1163 1166 1169 1172 1175 1178 1181 1184 1187 1190 1193 1196 1199 1202 1205 1208 1211 1214 1217 1220 1223 1226 1229 1232 1235 1238 1241 1244 1247 1250 1253 1256 1259 1262 1265 1268 1271 1274 1277 1280 1283 1286 1289 1292 1295 1298 1301 1304 1307 1310 1313 1316 1319 1322 1325 1328 1331 1334 1337 1340 1343 1346 1349 1352 1355 1358 1361 1364 1367 1370 1373 1376 1379 1382 1385 1388 1391 1394 1397 1400 1403 1406 1409 1412 1415 1418 1421 1424 1427 1430 1433 1436 1439 1442 1445 1448 1451 1454 1457 1460 1463 1466 1469 1472 1475 1478 1481 1484 1487 1490 1493 1496 1499 1502 1505 1508 1511 1514 1517 1520 1523 1526 1529 1532 1535 1538 1541 1544 1547 1550 1553 1556 1559 1562 1565 1568 1571 1574 1577 1580 1583 1586 1589 1592 1595 1598 1601 1604 1607 1610 1613 1616 1619 1622 1625 1628 1631 1634 1637 1640 1643 1646 1649 1652 1655 1658 1661 1664 1667 1670 1673 1676 1679 1682 1685 1688 1691 1694 1697 1700 1703 1706 1709 1712 1715 1718 1721 1724 1727 1730 1733 1736 1739 1742 1745 1748 1751 1754 1757 1760 1763 1766 1769 1772 1775 1778 1781 1784 1787 1790 1793 1796 1799 1802 1805 1808 1811 1814 1817 1820 1823 1826 1829 1832 1835 1838 1841 1844 1847 1850 1853 1856 1859 1862 1865 1868 1871 1874 1877 1880 1883 1886 1889 1892 1895 1898 1901 1904 1907 1910 1913 1916 1919 1922 1925 1928 1931 1934 1937 1940 1943 1946 1949 1952 1955 1958 1961 %FLAG BOND_FORCE_CONSTANT %FORMAT(5E16.8) 5.00000000E+02 5.00000000E+02 5.00000000E+02 5.00000000E+02 5.00000000E+02 5.00000000E+02 5.00000000E+02 5.00000000E+02 5.00000000E+02 5.00000000E+02 5.00000000E+02 5.00000000E+02 5.00000000E+02 5.00000000E+02 5.00000000E+02 5.00000000E+02 5.00000000E+02 5.00000000E+02 5.00000000E+02 5.00000000E+02 5.53000000E+02 5.53000000E+02 %FLAG BOND_EQUIL_VALUE %FORMAT(5E16.8) 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 9.57200000E-01 1.51360000E+00 %FLAG ANGLE_FORCE_CONSTANT %FORMAT(5E16.8) 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 6.00000000E+01 %FLAG ANGLE_EQUIL_VALUE %FORMAT(5E16.8) 2.09439600E+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 2.09439600E+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 2.09439600E+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 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 2.09439600E+00 %FLAG DIHEDRAL_FORCE_CONSTANT %FORMAT(5E16.8) 1.70000000E+00 %FLAG DIHEDRAL_PERIODICITY %FORMAT(5E16.8) 2.00000000E+00 %FLAG DIHEDRAL_PHASE %FORMAT(5E16.8) 3.14159400E+00 %FLAG SCEE_SCALE_FACTOR %FORMAT(5E16.8) 1.20000000E+00 %FLAG SCNB_SCALE_FACTOR %FORMAT(5E16.8) 2.00000000E+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 %FLAG LENNARD_JONES_ACOEF %FORMAT(5E16.8) 1.04308023E+06 9.24822270E+05 8.19971662E+05 9.95480466E+05 8.82619071E+05 9.44293233E+05 6.78771368E+04 6.01816484E+04 6.20665997E+04 3.25969625E+03 6.47841731E+05 5.74393458E+05 6.06829342E+05 3.69471530E+04 3.79876399E+05 2.56678134E+03 2.27577561E+03 2.12601181E+03 5.94667300E+01 1.02595236E+03 1.39982777E-01 9.71708117E+04 8.61541883E+04 8.96776989E+04 4.98586848E+03 5.44261042E+04 1.07193646E+02 7.51607703E+03 7.85890042E+05 6.96790708E+05 7.42364908E+05 4.75728872E+04 4.72934643E+05 1.52094041E+03 6.91773368E+04 5.81935564E+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 %FLAG LENNARD_JONES_BCOEF %FORMAT(5E16.8) 6.75612247E+02 5.99015525E+02 5.31102864E+02 7.36907417E+02 6.53361429E+02 8.01323529E+02 1.06076943E+02 9.40505980E+01 1.13252061E+02 1.43076527E+01 6.26720080E+02 5.55666448E+02 6.77220874E+02 9.21192136E+01 5.64885984E+02 2.06278363E+01 1.82891803E+01 2.09604198E+01 1.93248820E+00 1.53505284E+01 9.37598976E-02 1.26919150E+02 1.12529845E+02 1.36131731E+02 1.76949863E+01 1.11805549E+02 2.59456373E+00 2.17257828E+01 6.36687196E+02 5.64503554E+02 6.90894667E+02 9.64152120E+01 5.81361517E+02 1.72393904E+01 1.16264660E+02 5.94825035E+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 %FLAG BONDS_INC_HYDROGEN %FORMAT(10I8) 69 66 21 72 66 21 72 69 22 78 75 21 81 75 21 81 78 22 87 84 21 90 84 21 90 87 22 96 93 21 99 93 21 99 96 22 105 102 21 108 102 21 108 105 22 114 111 21 117 111 21 117 114 22 123 120 21 126 120 21 126 123 22 132 129 21 135 129 21 135 132 22 141 138 21 144 138 21 144 141 22 150 147 21 153 147 21 153 150 22 159 156 21 162 156 21 162 159 22 168 165 21 171 165 21 171 168 22 177 174 21 180 174 21 180 177 22 186 183 21 189 183 21 189 186 22 195 192 21 198 192 21 198 195 22 204 201 21 207 201 21 207 204 22 213 210 21 216 210 21 216 213 22 222 219 21 225 219 21 225 222 22 231 228 21 234 228 21 234 231 22 240 237 21 243 237 21 243 240 22 249 246 21 252 246 21 252 249 22 258 255 21 261 255 21 261 258 22 267 264 21 270 264 21 270 267 22 276 273 21 279 273 21 279 276 22 285 282 21 288 282 21 288 285 22 294 291 21 297 291 21 297 294 22 303 300 21 306 300 21 306 303 22 312 309 21 315 309 21 315 312 22 321 318 21 324 318 21 324 321 22 330 327 21 333 327 21 333 330 22 339 336 21 342 336 21 342 339 22 348 345 21 351 345 21 351 348 22 357 354 21 360 354 21 360 357 22 366 363 21 369 363 21 369 366 22 375 372 21 378 372 21 378 375 22 384 381 21 387 381 21 387 384 22 393 390 21 396 390 21 396 393 22 402 399 21 405 399 21 405 402 22 411 408 21 414 408 21 414 411 22 420 417 21 423 417 21 423 420 22 429 426 21 432 426 21 432 429 22 438 435 21 441 435 21 441 438 22 447 444 21 450 444 21 450 447 22 456 453 21 459 453 21 459 456 22 465 462 21 468 462 21 468 465 22 474 471 21 477 471 21 477 474 22 483 480 21 486 480 21 486 483 22 492 489 21 495 489 21 495 492 22 501 498 21 504 498 21 504 501 22 510 507 21 513 507 21 513 510 22 519 516 21 522 516 21 522 519 22 528 525 21 531 525 21 531 528 22 537 534 21 540 534 21 540 537 22 546 543 21 549 543 21 549 546 22 555 552 21 558 552 21 558 555 22 564 561 21 567 561 21 567 564 22 573 570 21 576 570 21 576 573 22 582 579 21 585 579 21 585 582 22 591 588 21 594 588 21 594 591 22 600 597 21 603 597 21 603 600 22 609 606 21 612 606 21 612 609 22 618 615 21 621 615 21 621 618 22 627 624 21 630 624 21 630 627 22 636 633 21 639 633 21 639 636 22 645 642 21 648 642 21 648 645 22 654 651 21 657 651 21 657 654 22 663 660 21 666 660 21 666 663 22 672 669 21 675 669 21 675 672 22 681 678 21 684 678 21 684 681 22 690 687 21 693 687 21 693 690 22 699 696 21 702 696 21 702 699 22 708 705 21 711 705 21 711 708 22 717 714 21 720 714 21 720 717 22 726 723 21 729 723 21 729 726 22 735 732 21 738 732 21 738 735 22 744 741 21 747 741 21 747 744 22 753 750 21 756 750 21 756 753 22 762 759 21 765 759 21 765 762 22 771 768 21 774 768 21 774 771 22 780 777 21 783 777 21 783 780 22 789 786 21 792 786 21 792 789 22 798 795 21 801 795 21 801 798 22 807 804 21 810 804 21 810 807 22 816 813 21 819 813 21 819 816 22 825 822 21 828 822 21 828 825 22 834 831 21 837 831 21 837 834 22 843 840 21 846 840 21 846 843 22 852 849 21 855 849 21 855 852 22 861 858 21 864 858 21 864 861 22 870 867 21 873 867 21 873 870 22 879 876 21 882 876 21 882 879 22 888 885 21 891 885 21 891 888 22 897 894 21 900 894 21 900 897 22 906 903 21 909 903 21 909 906 22 915 912 21 918 912 21 918 915 22 924 921 21 927 921 21 927 924 22 933 930 21 936 930 21 936 933 22 942 939 21 945 939 21 945 942 22 951 948 21 954 948 21 954 951 22 960 957 21 963 957 21 963 960 22 969 966 21 972 966 21 972 969 22 978 975 21 981 975 21 981 978 22 987 984 21 990 984 21 990 987 22 996 993 21 999 993 21 999 996 22 1005 1002 21 1008 1002 21 1008 1005 22 1014 1011 21 1017 1011 21 1017 1014 22 1023 1020 21 1026 1020 21 1026 1023 22 1032 1029 21 1035 1029 21 1035 1032 22 1041 1038 21 1044 1038 21 1044 1041 22 1050 1047 21 1053 1047 21 1053 1050 22 1059 1056 21 1062 1056 21 1062 1059 22 1068 1065 21 1071 1065 21 1071 1068 22 1077 1074 21 1080 1074 21 1080 1077 22 1086 1083 21 1089 1083 21 1089 1086 22 1095 1092 21 1098 1092 21 1098 1095 22 1104 1101 21 1107 1101 21 1107 1104 22 1113 1110 21 1116 1110 21 1116 1113 22 1122 1119 21 1125 1119 21 1125 1122 22 1131 1128 21 1134 1128 21 1134 1131 22 1140 1137 21 1143 1137 21 1143 1140 22 1149 1146 21 1152 1146 21 1152 1149 22 1158 1155 21 1161 1155 21 1161 1158 22 1167 1164 21 1170 1164 21 1170 1167 22 1176 1173 21 1179 1173 21 1179 1176 22 1185 1182 21 1188 1182 21 1188 1185 22 1194 1191 21 1197 1191 21 1197 1194 22 1203 1200 21 1206 1200 21 1206 1203 22 1212 1209 21 1215 1209 21 1215 1212 22 1221 1218 21 1224 1218 21 1224 1221 22 1230 1227 21 1233 1227 21 1233 1230 22 1239 1236 21 1242 1236 21 1242 1239 22 1248 1245 21 1251 1245 21 1251 1248 22 1257 1254 21 1260 1254 21 1260 1257 22 1266 1263 21 1269 1263 21 1269 1266 22 1275 1272 21 1278 1272 21 1278 1275 22 1284 1281 21 1287 1281 21 1287 1284 22 1293 1290 21 1296 1290 21 1296 1293 22 1302 1299 21 1305 1299 21 1305 1302 22 1311 1308 21 1314 1308 21 1314 1311 22 1320 1317 21 1323 1317 21 1323 1320 22 1329 1326 21 1332 1326 21 1332 1329 22 1338 1335 21 1341 1335 21 1341 1338 22 1347 1344 21 1350 1344 21 1350 1347 22 1356 1353 21 1359 1353 21 1359 1356 22 1365 1362 21 1368 1362 21 1368 1365 22 1374 1371 21 1377 1371 21 1377 1374 22 1383 1380 21 1386 1380 21 1386 1383 22 1392 1389 21 1395 1389 21 1395 1392 22 1401 1398 21 1404 1398 21 1404 1401 22 1410 1407 21 1413 1407 21 1413 1410 22 1419 1416 21 1422 1416 21 1422 1419 22 1428 1425 21 1431 1425 21 1431 1428 22 1437 1434 21 1440 1434 21 1440 1437 22 1446 1443 21 1449 1443 21 1449 1446 22 1455 1452 21 1458 1452 21 1458 1455 22 1464 1461 21 1467 1461 21 1467 1464 22 1473 1470 21 1476 1470 21 1476 1473 22 1482 1479 21 1485 1479 21 1485 1482 22 1491 1488 21 1494 1488 21 1494 1491 22 1500 1497 21 1503 1497 21 1503 1500 22 1509 1506 21 1512 1506 21 1512 1509 22 1518 1515 21 1521 1515 21 1521 1518 22 1527 1524 21 1530 1524 21 1530 1527 22 1536 1533 21 1539 1533 21 1539 1536 22 1545 1542 21 1548 1542 21 1548 1545 22 1554 1551 21 1557 1551 21 1557 1554 22 1563 1560 21 1566 1560 21 1566 1563 22 1572 1569 21 1575 1569 21 1575 1572 22 1581 1578 21 1584 1578 21 1584 1581 22 1590 1587 21 1593 1587 21 1593 1590 22 1599 1596 21 1602 1596 21 1602 1599 22 1608 1605 21 1611 1605 21 1611 1608 22 1617 1614 21 1620 1614 21 1620 1617 22 1626 1623 21 1629 1623 21 1629 1626 22 1635 1632 21 1638 1632 21 1638 1635 22 1644 1641 21 1647 1641 21 1647 1644 22 1653 1650 21 1656 1650 21 1656 1653 22 1662 1659 21 1665 1659 21 1665 1662 22 1671 1668 21 1674 1668 21 1674 1671 22 1680 1677 21 1683 1677 21 1683 1680 22 1689 1686 21 1692 1686 21 1692 1689 22 1698 1695 21 1701 1695 21 1701 1698 22 1707 1704 21 1710 1704 21 1710 1707 22 1716 1713 21 1719 1713 21 1719 1716 22 1725 1722 21 1728 1722 21 1728 1725 22 1734 1731 21 1737 1731 21 1737 1734 22 1743 1740 21 1746 1740 21 1746 1743 22 1752 1749 21 1755 1749 21 1755 1752 22 1761 1758 21 1764 1758 21 1764 1761 22 1770 1767 21 1773 1767 21 1773 1770 22 1779 1776 21 1782 1776 21 1782 1779 22 1788 1785 21 1791 1785 21 1791 1788 22 1797 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ANGLES_WITHOUT_HYDROGEN %FORMAT(10I8) 0 3 6 1 0 3 54 2 3 0 57 3 3 0 60 4 3 0 63 5 3 6 9 6 3 6 51 7 6 3 54 8 6 9 12 9 6 9 36 10 6 9 48 11 9 6 51 12 9 12 15 13 9 12 33 14 9 36 39 15 9 36 42 16 9 36 45 17 12 9 36 18 12 9 48 19 12 15 18 20 12 15 30 21 15 12 33 22 15 18 21 23 15 18 24 24 15 18 27 25 18 15 30 21 21 18 24 26 21 18 27 27 24 18 27 28 36 9 48 29 39 36 42 30 39 36 45 31 42 36 45 32 57 0 60 33 57 0 63 34 60 0 63 35 %FLAG DIHEDRALS_INC_HYDROGEN %FORMAT(10I8) %FLAG DIHEDRALS_WITHOUT_HYDROGEN %FORMAT(10I8) 0 3 6 9 1 0 3 6 51 1 3 6 9 12 1 3 6 9 36 1 3 6 9 48 1 57 0 3 6 1 60 0 3 6 1 63 0 3 6 1 6 9 12 15 1 6 9 12 33 1 6 9 36 39 1 6 9 36 42 1 6 9 36 45 1 9 6 3 54 1 9 12 15 18 1 9 12 15 30 1 12 9 6 51 1 12 9 36 39 1 12 9 36 42 1 12 9 36 45 1 12 15 18 21 1 12 15 18 24 1 12 15 18 27 1 15 12 9 36 1 15 12 9 48 1 18 15 12 33 1 21 18 15 30 1 24 18 15 30 1 27 18 15 30 1 30 15 12 33 1 33 12 9 36 1 33 12 9 48 1 36 9 6 51 1 39 36 9 48 1 42 36 9 48 1 45 36 9 48 1 48 9 6 51 1 51 6 3 54 1 57 0 3 54 1 60 0 3 54 1 63 0 3 54 1 %FLAG EXCLUDED_ATOMS_LIST %FORMAT(10I8) 2 3 4 18 19 20 21 22 3 4 5 13 17 18 19 20 21 22 4 5 6 12 13 14 15 16 17 18 19 20 21 22 5 6 7 11 12 13 14 15 16 17 18 19 6 7 8 9 10 11 12 13 14 15 16 17 18 7 8 9 10 11 12 13 17 8 9 10 11 12 9 10 11 10 11 11 12 13 17 14 15 16 17 18 15 16 17 16 17 17 18 19 20 21 22 21 22 22 0 24 25 25 0 27 28 28 0 30 31 31 0 33 34 34 0 36 37 37 0 39 40 40 0 42 43 43 0 45 46 46 0 48 49 49 0 51 52 52 0 54 55 55 0 57 58 58 0 60 61 61 0 63 64 64 0 66 67 67 0 69 70 70 0 72 73 73 0 75 76 76 0 78 79 79 0 81 82 82 0 84 85 85 0 87 88 88 0 90 91 91 0 93 94 94 0 96 97 97 0 99 100 100 0 102 103 103 0 105 106 106 0 108 109 109 0 111 112 112 0 114 115 115 0 117 118 118 0 120 121 121 0 123 124 124 0 126 127 127 0 129 130 130 0 132 133 133 0 135 136 136 0 138 139 139 0 141 142 142 0 144 145 145 0 147 148 148 0 150 151 151 0 153 154 154 0 156 157 157 0 159 160 160 0 162 163 163 0 165 166 166 0 168 169 169 0 171 172 172 0 174 175 175 0 177 178 178 0 180 181 181 0 183 184 184 0 186 187 187 0 189 190 190 0 192 193 193 0 195 196 196 0 198 199 199 0 201 202 202 0 204 205 205 0 207 208 208 0 210 211 211 0 213 214 214 0 216 217 217 0 219 220 220 0 222 223 223 0 225 226 226 0 228 229 229 0 231 232 232 0 234 235 235 0 237 238 238 0 240 241 241 0 243 244 244 0 246 247 247 0 249 250 250 0 252 253 253 0 255 256 256 0 258 259 259 0 261 262 262 0 264 265 265 0 267 268 268 0 270 271 271 0 273 274 274 0 276 277 277 0 279 280 280 0 282 283 283 0 285 286 286 0 288 289 289 0 291 292 292 0 294 295 295 0 297 298 298 0 300 301 301 0 303 304 304 0 306 307 307 0 309 310 310 0 312 313 313 0 315 316 316 0 318 319 319 0 321 322 322 0 324 325 325 0 327 328 328 0 330 331 331 0 333 334 334 0 336 337 337 0 339 340 340 0 342 343 343 0 345 346 346 0 348 349 349 0 351 352 352 0 354 355 355 0 357 358 358 0 360 361 361 0 363 364 364 0 366 367 367 0 369 370 370 0 372 373 373 0 375 376 376 0 378 379 379 0 381 382 382 0 384 385 385 0 387 388 388 0 390 391 391 0 393 394 394 0 396 397 397 0 399 400 400 0 402 403 403 0 405 406 406 0 408 409 409 0 411 412 412 0 414 415 415 0 417 418 418 0 420 421 421 0 423 424 424 0 426 427 427 0 429 430 430 0 432 433 433 0 435 436 436 0 438 439 439 0 441 442 442 0 444 445 445 0 447 448 448 0 450 451 451 0 453 454 454 0 456 457 457 0 459 460 460 0 462 463 463 0 465 466 466 0 468 469 469 0 471 472 472 0 474 475 475 0 477 478 478 0 480 481 481 0 483 484 484 0 486 487 487 0 489 490 490 0 492 493 493 0 495 496 496 0 498 499 499 0 501 502 502 0 504 505 505 0 507 508 508 0 510 511 511 0 513 514 514 0 516 517 517 0 519 520 520 0 522 523 523 0 525 526 526 0 528 529 529 0 531 532 532 0 534 535 535 0 537 538 538 0 540 541 541 0 543 544 544 0 546 547 547 0 549 550 550 0 552 553 553 0 555 556 556 0 558 559 559 0 561 562 562 0 564 565 565 0 567 568 568 0 570 571 571 0 573 574 574 0 576 577 577 0 579 580 580 0 582 583 583 0 585 586 586 0 588 589 589 0 591 592 592 0 594 595 595 0 597 598 598 0 600 601 601 0 603 604 604 0 606 607 607 0 609 610 610 0 612 613 613 0 615 616 616 0 618 619 619 0 621 622 622 0 624 625 625 0 627 628 628 0 630 631 631 0 633 634 634 0 636 637 637 0 639 640 640 0 642 643 643 0 645 646 646 0 648 649 649 0 651 652 652 0 654 655 655 0 657 658 658 0 660 661 661 0 663 664 664 0 666 667 667 0 669 670 670 0 672 673 673 0 675 676 676 0 678 679 679 0 681 682 682 0 684 685 685 0 687 688 688 0 690 691 691 0 693 694 694 0 696 697 697 0 699 700 700 0 702 703 703 0 705 706 706 0 708 709 709 0 711 712 712 0 714 715 715 0 717 718 718 0 720 721 721 0 723 724 724 0 726 727 727 0 729 730 730 0 732 733 733 0 735 736 736 0 738 739 739 0 741 742 742 0 744 745 745 0 747 748 748 0 750 751 751 0 753 754 754 0 756 757 757 0 759 760 760 0 762 763 763 0 765 766 766 0 768 769 769 0 771 772 772 0 774 775 775 0 777 778 778 0 780 781 781 0 783 784 784 0 786 787 787 0 789 790 790 0 792 793 793 0 795 796 796 0 798 799 799 0 801 802 802 0 804 805 805 0 807 808 808 0 810 811 811 0 813 814 814 0 816 817 817 0 819 820 820 0 822 823 823 0 825 826 826 0 828 829 829 0 831 832 832 0 834 835 835 0 837 838 838 0 840 841 841 0 843 844 844 0 846 847 847 0 849 850 850 0 852 853 853 0 855 856 856 0 858 859 859 0 861 862 862 0 864 865 865 0 867 868 868 0 870 871 871 0 873 874 874 0 876 877 877 0 879 880 880 0 882 883 883 0 885 886 886 0 888 889 889 0 891 892 892 0 894 895 895 0 897 898 898 0 900 901 901 0 903 904 904 0 906 907 907 0 909 910 910 0 912 913 913 0 915 916 916 0 918 919 919 0 921 922 922 0 924 925 925 0 927 928 928 0 930 931 931 0 933 934 934 0 936 937 937 0 939 940 940 0 942 943 943 0 945 946 946 0 948 949 949 0 951 952 952 0 954 955 955 0 957 958 958 0 960 961 961 0 963 964 964 0 966 967 967 0 969 970 970 0 972 973 973 0 975 976 976 0 978 979 979 0 981 982 982 0 984 985 985 0 987 988 988 0 990 991 991 0 993 994 994 0 996 997 997 0 999 1000 1000 0 1002 1003 1003 0 1005 1006 1006 0 1008 1009 1009 0 1011 1012 1012 0 1014 1015 1015 0 1017 1018 1018 0 1020 1021 1021 0 1023 1024 1024 0 1026 1027 1027 0 1029 1030 1030 0 1032 1033 1033 0 1035 1036 1036 0 1038 1039 1039 0 1041 1042 1042 0 1044 1045 1045 0 1047 1048 1048 0 1050 1051 1051 0 1053 1054 1054 0 1056 1057 1057 0 1059 1060 1060 0 1062 1063 1063 0 1065 1066 1066 0 1068 1069 1069 0 1071 1072 1072 0 1074 1075 1075 0 1077 1078 1078 0 1080 1081 1081 0 1083 1084 1084 0 1086 1087 1087 0 1089 1090 1090 0 1092 1093 1093 0 1095 1096 1096 0 1098 1099 1099 0 1101 1102 1102 0 1104 1105 1105 0 1107 1108 1108 0 1110 1111 1111 0 1113 1114 1114 0 1116 1117 1117 0 1119 1120 1120 0 1122 1123 1123 0 1125 1126 1126 0 1128 1129 1129 0 1131 1132 1132 0 1134 1135 1135 0 1137 1138 1138 0 1140 1141 1141 0 1143 1144 1144 0 1146 1147 1147 0 1149 1150 1150 0 1152 1153 1153 0 1155 1156 1156 0 1158 1159 1159 0 1161 1162 1162 0 1164 1165 1165 0 1167 1168 1168 0 1170 1171 1171 0 1173 1174 1174 0 1176 1177 1177 0 1179 1180 1180 0 1182 1183 1183 0 1185 1186 1186 0 1188 1189 1189 0 1191 1192 1192 0 1194 1195 1195 0 1197 1198 1198 0 1200 1201 1201 0 1203 1204 1204 0 1206 1207 1207 0 1209 1210 1210 0 1212 1213 1213 0 1215 1216 1216 0 1218 1219 1219 0 1221 1222 1222 0 1224 1225 1225 0 1227 1228 1228 0 1230 1231 1231 0 1233 1234 1234 0 1236 1237 1237 0 1239 1240 1240 0 1242 1243 1243 0 1245 1246 1246 0 1248 1249 1249 0 1251 1252 1252 0 1254 1255 1255 0 1257 1258 1258 0 1260 1261 1261 0 1263 1264 1264 0 1266 1267 1267 0 1269 1270 1270 0 1272 1273 1273 0 1275 1276 1276 0 1278 1279 1279 0 1281 1282 1282 0 1284 1285 1285 0 1287 1288 1288 0 1290 1291 1291 0 1293 1294 1294 0 1296 1297 1297 0 1299 1300 1300 0 1302 1303 1303 0 1305 1306 1306 0 1308 1309 1309 0 1311 1312 1312 0 1314 1315 1315 0 1317 1318 1318 0 1320 1321 1321 0 1323 1324 1324 0 1326 1327 1327 0 1329 1330 1330 0 1332 1333 1333 0 1335 1336 1336 0 1338 1339 1339 0 1341 1342 1342 0 1344 1345 1345 0 1347 1348 1348 0 1350 1351 1351 0 1353 1354 1354 0 1356 1357 1357 0 1359 1360 1360 0 1362 1363 1363 0 1365 1366 1366 0 1368 1369 1369 0 1371 1372 1372 0 1374 1375 1375 0 1377 1378 1378 0 1380 1381 1381 0 1383 1384 1384 0 1386 1387 1387 0 1389 1390 1390 0 1392 1393 1393 0 1395 1396 1396 0 1398 1399 1399 0 1401 1402 1402 0 1404 1405 1405 0 1407 1408 1408 0 1410 1411 1411 0 1413 1414 1414 0 1416 1417 1417 0 1419 1420 1420 0 1422 1423 1423 0 1425 1426 1426 0 1428 1429 1429 0 1431 1432 1432 0 1434 1435 1435 0 1437 1438 1438 0 1440 1441 1441 0 1443 1444 1444 0 1446 1447 1447 0 1449 1450 1450 0 1452 1453 1453 0 1455 1456 1456 0 1458 1459 1459 0 1461 1462 1462 0 1464 1465 1465 0 1467 1468 1468 0 1470 1471 1471 0 1473 1474 1474 0 1476 1477 1477 0 1479 1480 1480 0 1482 1483 1483 0 1485 1486 1486 0 1488 1489 1489 0 1491 1492 1492 0 1494 1495 1495 0 1497 1498 1498 0 1500 1501 1501 0 1503 1504 1504 0 1506 1507 1507 0 1509 1510 1510 0 1512 1513 1513 0 1515 1516 1516 0 1518 1519 1519 0 1521 1522 1522 0 1524 1525 1525 0 1527 1528 1528 0 1530 1531 1531 0 1533 1534 1534 0 1536 1537 1537 0 1539 1540 1540 0 1542 1543 1543 0 1545 1546 1546 0 1548 1549 1549 0 1551 1552 1552 0 1554 1555 1555 0 1557 1558 1558 0 1560 1561 1561 0 1563 1564 1564 0 1566 1567 1567 0 1569 1570 1570 0 1572 1573 1573 0 1575 1576 1576 0 1578 1579 1579 0 1581 1582 1582 0 1584 1585 1585 0 1587 1588 1588 0 1590 1591 1591 0 1593 1594 1594 0 1596 1597 1597 0 1599 1600 1600 0 1602 1603 1603 0 1605 1606 1606 0 1608 1609 1609 0 1611 1612 1612 0 1614 1615 1615 0 1617 1618 1618 0 1620 1621 1621 0 1623 1624 1624 0 1626 1627 1627 0 1629 1630 1630 0 1632 1633 1633 0 1635 1636 1636 0 1638 1639 1639 0 1641 1642 1642 0 1644 1645 1645 0 1647 1648 1648 0 1650 1651 1651 0 1653 1654 1654 0 1656 1657 1657 0 1659 1660 1660 0 1662 1663 1663 0 1665 1666 1666 0 1668 1669 1669 0 1671 1672 1672 0 1674 1675 1675 0 1677 1678 1678 0 1680 1681 1681 0 1683 1684 1684 0 1686 1687 1687 0 1689 1690 1690 0 1692 1693 1693 0 1695 1696 1696 0 1698 1699 1699 0 1701 1702 1702 0 1704 1705 1705 0 1707 1708 1708 0 1710 1711 1711 0 1713 1714 1714 0 1716 1717 1717 0 1719 1720 1720 0 1722 1723 1723 0 1725 1726 1726 0 1728 1729 1729 0 1731 1732 1732 0 1734 1735 1735 0 1737 1738 1738 0 1740 1741 1741 0 1743 1744 1744 0 1746 1747 1747 0 1749 1750 1750 0 1752 1753 1753 0 1755 1756 1756 0 1758 1759 1759 0 1761 1762 1762 0 1764 1765 1765 0 1767 1768 1768 0 1770 1771 1771 0 1773 1774 1774 0 1776 1777 1777 0 1779 1780 1780 0 1782 1783 1783 0 1785 1786 1786 0 1788 1789 1789 0 1791 1792 1792 0 1794 1795 1795 0 1797 1798 1798 0 1800 1801 1801 0 1803 1804 1804 0 1806 1807 1807 0 1809 1810 1810 0 1812 1813 1813 0 1815 1816 1816 0 1818 1819 1819 0 1821 1822 1822 0 1824 1825 1825 0 1827 1828 1828 0 1830 1831 1831 0 1833 1834 1834 0 1836 1837 1837 0 1839 1840 1840 0 1842 1843 1843 0 1845 1846 1846 0 1848 1849 1849 0 1851 1852 1852 0 1854 1855 1855 0 1857 1858 1858 0 1860 1861 1861 0 1863 1864 1864 0 1866 1867 1867 0 1869 1870 1870 0 1872 1873 1873 0 1875 1876 1876 0 1878 1879 1879 0 1881 1882 1882 0 1884 1885 1885 0 1887 1888 1888 0 1890 1891 1891 0 1893 1894 1894 0 1896 1897 1897 0 1899 1900 1900 0 1902 1903 1903 0 1905 1906 1906 0 1908 1909 1909 0 1911 1912 1912 0 1914 1915 1915 0 1917 1918 1918 0 1920 1921 1921 0 1923 1924 1924 0 1926 1927 1927 0 1929 1930 1930 0 1932 1933 1933 0 1935 1936 1936 0 1938 1939 1939 0 1941 1942 1942 0 1944 1945 1945 0 1947 1948 1948 0 1950 1951 1951 0 1953 1954 1954 0 1956 1957 1957 0 1959 1960 1960 0 1962 1963 1963 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) AA AB AC AD AG AF AG AN AO AQ AO AL AM AN AO AQ AQ AR AS AT AU AV OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW 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) BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA 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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 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 3.29553330E+01 3.21581290E+01 2.92729660E+01 %FLAG RADIUS_SET %FORMAT(1a80) modified Bondi radii (mbondi) %FLAG RADII %FORMAT(5E16.8) 1.50000000E+00 1.50000000E+00 1.70000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 1.50000000E+00 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