LAMMPS data file via write_data, version 31 Mar 2017, timestep = 20530 3060 atoms 906 atom types 2059 bonds 379 bond types 1108 angles 1017 angle types 140 dihedrals 800 dihedral types 21 impropers 5 improper types -1.0000000000000000e+00 4.9000000000000000e+01 xlo xhi -1.0000000000000000e+00 4.9000000000000000e+01 ylo yhi -1.0000000000000000e+00 4.9000000000000000e+01 zlo zhi Masses 1 18.998 2 14.027 3 12.011 4 15.999 5 15.999 6 15.035 7 1.008 8 16.043 9 15.035 10 15.035 11 15.035 12 15.035 13 14.027 14 14.027 15 13.019 16 13.019 17 13.019 18 12.011 19 12.011 20 15.999 21 1.008 22 15.035 23 14.027 24 32.06 25 32.06 26 32.06 27 32.06 28 1.008 29 1.008 30 15.035 31 14.027 32 15.035 33 14.027 34 15.035 35 14.027 36 14.007 37 12.011 38 15.035 39 13.019 40 12.011 41 15.999 42 15.035 43 14.027 44 14.027 45 35.453 46 12.011 47 35.453 48 12.011 49 35.453 50 32.06 51 15.999 52 15.035 53 15.999 54 14.007 55 12.011 56 15.035 57 1 58 4.003 59 20.179 60 39.948 61 83.8 62 131.3 63 15.999 64 1.008 65 15.999 66 1.008 67 1e-30 68 15.999 69 1.008 70 15.999 71 1.008 72 1e-30 73 15.999 74 1.008 75 1e-30 76 15.999 77 1.008 78 14.007 79 1.008 80 12.011 81 12.011 82 12.011 83 12.011 84 12.011 85 1.008 86 12.011 87 12.011 88 12.011 89 1.008 90 12.011 91 1.008 92 12.011 93 12.011 94 12.011 95 12.011 96 15.999 97 1.008 98 1.008 99 12.011 100 12.011 101 12.011 102 12.011 103 12.011 104 15.999 105 1.008 106 18.998 107 1.008 108 12.011 109 15.999 110 1.008 111 15.999 112 1.008 113 15.999 114 1.008 115 12.011 116 12.011 117 12.011 118 1.008 119 15.999 120 12.011 121 15.999 122 15.999 123 12.011 124 12.011 125 12.011 126 12.011 127 1.008 128 15.999 129 15.999 130 1.008 131 12.011 132 1.008 133 12.011 134 1.008 135 12.011 136 1.008 137 12.011 138 1.008 139 12.011 140 12.011 141 12.011 142 32.06 143 32.06 144 32.06 145 32.06 146 1.008 147 1.008 148 12.011 149 12.011 150 12.011 151 12.011 152 12.011 153 12.011 154 12.011 155 12.011 156 12.011 157 12.011 158 12.011 159 12.011 160 12.011 161 12.011 162 12.011 163 12.011 164 32.06 165 12.011 166 12.011 167 12.011 168 35.453 169 12.011 170 12.011 171 12.011 172 12.011 173 12.011 174 12.011 175 12.011 176 12.011 177 12.011 178 15.999 179 14.007 180 14.007 181 14.007 182 1.008 183 1.008 184 12.011 185 12.011 186 12.011 187 12.011 188 12.011 189 12.011 190 15.999 191 14.007 192 1.008 193 14.007 194 12.011 195 15.999 196 1.008 197 1.008 198 12.011 199 12.011 200 12.011 201 12.011 202 12.011 203 12.011 204 14.007 205 12.011 206 35.453 207 14.007 208 12.011 209 12.011 210 15.999 211 15.999 212 1.008 213 12.011 214 15.999 215 12.011 216 12.011 217 12.011 218 12.011 219 12.011 220 15.999 221 1.008 222 12.011 223 15.999 224 1.008 225 12.011 226 12.011 227 12.011 228 12.011 229 14.007 230 14.007 231 14.007 232 1.008 233 1.008 234 12.011 235 12.011 236 12.011 237 12.011 238 12.011 239 12.011 240 12.011 241 12.011 242 12.011 243 14.007 244 1.008 245 12.011 246 14.007 247 1.008 248 12.011 249 12.011 250 12.011 251 12.011 252 14.007 253 1.008 254 14.007 255 12.011 256 14.007 257 1.008 258 12.011 259 1.008 260 12.011 261 1.008 262 14.007 263 12.011 264 14.007 265 12.011 266 12.011 267 12.011 268 1.008 269 15.999 270 1.008 271 15.999 272 1.008 273 1.008 274 12.011 275 1.008 276 14.007 277 12.011 278 14.007 279 12.011 280 12.011 281 12.011 282 1.008 283 15.999 284 14.007 285 1.008 286 1.008 287 1.008 288 1.008 289 14.007 290 12.011 291 14.007 292 12.011 293 12.011 294 12.011 295 14.007 296 12.011 297 14.007 298 1.008 299 14.007 300 1.008 301 1.008 302 1.008 303 1.008 304 14.007 305 12.011 306 14.007 307 12.011 308 12.011 309 12.011 310 1.008 311 14.007 312 1.008 313 15.999 314 12.011 315 1.008 316 12.011 317 1.008 318 12.011 319 1.008 320 14.007 321 12.011 322 14.007 323 12.011 324 12.011 325 12.011 326 1.008 327 15.999 328 1.008 329 14.007 330 1.008 331 1.008 332 1.008 333 1.008 334 12.011 335 1.008 336 30.974 337 15.999 338 15.999 339 15.035 340 12.011 341 35.453 342 12.011 343 18.998 344 35.453 345 79.904 346 126.905 347 18.039 348 6.941 349 22.99 350 39.098 351 85.468 352 132.905 353 24.305 354 40.08 355 87.62 356 137.33 357 12.011 358 1.008 359 32.06 360 12.011 361 1.008 362 15.999 363 12.011 364 1.008 365 12.011 366 14.007 367 12.011 368 1.008 369 14.007 370 1.008 371 12.011 372 1.008 373 12.011 374 1.008 375 1e-30 376 15.999 377 1.008 378 238.029 379 15.999 380 15.999 381 30.974 382 15.999 383 15.999 384 12.011 385 1.008 386 30.974 387 15.999 388 15.999 389 12.011 390 1.008 391 30.974 392 15.999 393 15.999 394 12.011 395 1.008 396 12.011 397 1.008 398 12.011 399 12.011 400 1.008 401 12.011 402 12.011 403 1.008 404 12.011 405 12.011 406 12.011 407 15.999 408 15.999 409 12.011 410 1.008 411 12.011 412 12.011 413 12.011 414 15.999 415 32.06 416 15.999 417 12.011 418 1.008 419 14.007 420 1.008 421 14.007 422 1.008 423 12.011 424 1.008 425 12.011 426 1.008 427 12.011 428 1.008 429 12.011 430 12.011 431 12.011 432 12.011 433 12.011 434 32.06 435 15.999 436 32.06 437 32.06 438 15.999 439 12.011 440 12.011 441 12.011 442 12.011 443 12.011 444 14.007 445 1.008 446 12.011 447 12.011 448 12.011 449 12.011 450 12.011 451 12.011 452 14.007 453 14.007 454 1.008 455 12.011 456 12.011 457 12.011 458 12.011 459 12.011 460 12.011 461 14.007 462 12.011 463 12.011 464 12.011 465 1.008 466 1.008 467 1.008 468 14.007 469 12.011 470 1.008 471 14.007 472 12.011 473 12.011 474 12.011 475 1.008 476 1.008 477 1.008 478 14.007 479 12.011 480 12.011 481 1.008 482 1.008 483 14.007 484 12.011 485 12.011 486 1.008 487 1.008 488 1.008 489 14.007 490 14.007 491 12.011 492 12.011 493 12.011 494 1.008 495 1.008 496 1.008 497 1.008 498 14.007 499 12.011 500 14.007 501 12.011 502 12.011 503 1.008 504 1.008 505 1.008 506 1.008 507 15.999 508 12.011 509 12.011 510 1.008 511 1.008 512 15.999 513 12.011 514 14.007 515 12.011 516 12.011 517 1.008 518 1.008 519 1.008 520 15.999 521 14.007 522 12.011 523 12.011 524 12.011 525 1.008 526 1.008 527 1.008 528 14.007 529 12.011 530 12.011 531 12.011 532 12.011 533 12.011 534 12.011 535 12.011 536 12.011 537 1.008 538 1.008 539 1.008 540 1.008 541 1.008 542 1.008 543 1.008 544 14.007 545 12.011 546 12.011 547 12.011 548 12.011 549 12.011 550 12.011 551 12.011 552 12.011 553 12.011 554 1.008 555 1.008 556 1.008 557 1.008 558 1.008 559 1.008 560 1.008 561 14.007 562 12.011 563 14.007 564 12.011 565 12.011 566 12.011 567 14.007 568 12.011 569 14.007 570 1.008 571 1.008 572 1.008 573 1.008 574 32.06 575 12.011 576 14.007 577 12.011 578 12.011 579 1.008 580 1.008 581 1.008 582 14.007 583 12.011 584 1.008 585 12.011 586 12.011 587 14.007 588 12.011 589 12.011 590 12.011 591 12.011 592 12.011 593 12.011 594 1.008 595 1.008 596 1.008 597 1.008 598 14.007 599 12.011 600 14.007 601 12.011 602 12.011 603 12.011 604 1.008 605 1.008 606 1.008 607 1.008 608 12.011 609 12.011 610 12.011 611 12.011 612 12.011 613 12.011 614 12.011 615 12.011 616 12.011 617 12.011 618 12.011 619 12.011 620 12.011 621 12.011 622 12.011 623 32.06 624 1.008 625 12.011 626 12.011 627 14.007 628 12.011 629 12.011 630 12.011 631 12.011 632 12.011 633 12.011 634 12.011 635 12.011 636 12.011 637 32.06 638 227 639 232.038 640 243 641 12.011 642 12.011 643 1.008 644 138.906 645 144.24 646 151.96 647 157.25 648 173.04 649 12.011 650 35.453 651 1.008 652 12.011 653 12.011 654 12.011 655 12.011 656 1.008 657 12.011 658 1.008 659 12.011 660 18.998 661 12.011 662 18.998 663 79.904 664 14.027 665 12.011 666 12.011 667 18.998 668 12.011 669 18.998 670 12.011 671 79.904 672 12.011 673 126.905 674 12.011 675 32.06 676 12.011 677 12.011 678 12.011 679 12.011 680 12.011 681 1.008 682 1.008 683 12.011 684 14.007 685 1.008 686 1.008 687 1.008 688 12.011 689 12.011 690 14.007 691 14.007 692 14.007 693 12.011 694 14.007 695 12.011 696 12.011 697 12.011 698 12.011 699 12.011 700 1.008 701 14.007 702 15.999 703 12.011 704 1.008 705 12.011 706 12.011 707 12.011 708 14.007 709 12.011 710 12.011 711 14.007 712 15.999 713 12.011 714 15.999 715 12.011 716 12.011 717 12.011 718 1.008 719 1.008 720 1.008 721 15.999 722 30.974 723 12.011 724 12.011 725 1.008 726 30.974 727 18.998 728 14.007 729 15.999 730 14.007 731 14.007 732 14.007 733 12.011 734 12.011 735 12.011 736 12.011 737 12.011 738 12.011 739 1.008 740 1.008 741 1.008 742 12.011 743 12.011 744 12.011 745 12.011 746 12.011 747 12.011 748 12.011 749 12.011 750 12.011 751 12.011 752 12.011 753 12.011 754 12.011 755 12.011 756 1.008 757 12.011 758 12.011 759 12.011 760 1.008 761 12.011 762 12.011 763 12.011 764 15.999 765 1.008 766 14.007 767 14.007 768 14.007 769 12.011 770 14.007 771 1.008 772 12.011 773 12.011 774 12.011 775 12.011 776 12.011 777 12.011 778 12.011 779 12.011 780 1.008 781 12.011 782 12.011 783 14.007 784 15.999 785 1.008 786 18.998 787 12.011 788 1.008 789 12.011 790 12.011 791 12.011 792 12.011 793 12.011 794 12.011 795 18.998 796 12.011 797 1.008 798 12.011 799 12.011 800 35.453 801 12.011 802 1.008 803 12.011 804 12.011 805 79.904 806 12.011 807 1.008 808 12.011 809 12.011 810 18.998 811 35.453 812 79.904 813 12.011 814 15.999 815 12.011 816 18.998 817 14.007 818 12.011 819 12.011 820 12.011 821 12.011 822 15.999 823 14.007 824 1.008 825 15.999 826 1.008 827 12.011 828 12.011 829 12.011 830 12.011 831 12.011 832 12.011 833 12.011 834 1e-30 835 12.011 836 12.011 837 12.011 838 126.905 839 1.008 840 14.007 841 12.011 842 12.011 843 14.007 844 12.011 845 12.011 846 15.999 847 14.007 848 12.011 849 12.011 850 12.011 851 12.011 852 1.008 853 12.011 854 15.999 855 1.008 856 12.011 857 12.011 858 12.011 859 12.011 860 12.011 861 12.011 862 12.011 863 12.011 864 12.011 865 12.011 866 28.086 867 28.086 868 28.086 869 28.086 870 1.008 871 12.011 872 12.011 873 12.011 874 12.011 875 18.998 876 35.453 877 79.904 878 126.905 879 6.941 880 22.99 881 39.098 882 85.468 883 132.905 884 24.305 885 40.08 886 87.62 887 137.33 888 12.011 889 12.011 890 12.011 891 12.011 892 1.008 893 14.007 894 12.011 895 14.007 896 12.011 897 12.011 898 12.011 899 1.008 900 12.011 901 12.011 902 12.011 903 12.011 904 12.011 905 15.999 906 12.011 Pair Coeffs # lj/cut/coul/long 1 0.061 2.94 2 0.118 3.905 3 0.105 3.75 4 0.21 2.96 5 0.17 3 6 0.16 3.91 7 0 0 8 0.294 3.73 9 0.207 3.775 10 0.175 3.905 11 0.16 3.91 12 0.145 3.96 13 0.118 3.905 14 0.14 3.85 15 0.08 3.85 16 0.115 3.8 17 0.11 3.75 18 0.05 3.8 19 0.105 3.75 20 0.17 3.07 21 0 0 22 0.207 3.775 23 0.118 3.905 24 0.25 3.7 25 0.25 3.55 26 0.25 3.55 27 0.25 3.55 28 0 0 29 0 0 30 0.207 3.775 31 0.118 3.905 32 0.17 3.8 33 0.118 3.8 34 0.17 3.8 35 0.118 3.8 36 0.17 3.2 37 0.15 3.65 38 0.207 3.775 39 0.08 3.85 40 0.05 3.8 41 0.17 3 42 0.17 3.8 43 0.118 3.8 44 0.118 3.8 45 0.3 3.4 46 0.08 3.8 47 0.3 3.47 48 0.05 3.8 49 0.266 3.47 50 0.395 3.56 51 0.28 2.93 52 0.16 3.81 53 0.21 2.96 54 0.17 3.25 55 0.115 3.8 56 0.17 3.8 57 0 0 58 0.02 2.556 59 0.069 2.78 60 0.2339 3.401 61 0.317 3.624 62 0.433 3.935 63 0.1521 3.15061 64 0 0 65 0.155 3.15365 66 0 0 67 0 0 68 0.15 3.176 69 0 0 70 0.1 3.27 71 0 0 72 0 0 73 0.16 3.12 74 0 0 75 0 0 76 0.1554 3.16557 77 0 0 78 0.17 3.42 79 0 0 80 0.066 3.5 81 0.066 3.5 82 0.066 3.5 83 0.066 3.5 84 0.066 3.5 85 0.03 2.5 86 0.076 3.55 87 0.076 3.55 88 0.076 3.55 89 0.03 2.42 90 0.07 3.55 91 0.03 2.42 92 0.07 3.55 93 0.066 3.5 94 0.066 3.5 95 0.076 3.55 96 0.17 3.12 97 0 0 98 0.03 2.5 99 0.066 3.5 100 0.066 3.5 101 0.066 3.5 102 0.066 3.5 103 0.062 3.25 104 0.17 3.07 105 0 0 106 0.061 2.94 107 0.03 2.5 108 0.07 3.55 109 0.17 3.07 110 0 0 111 0.17 3.07 112 0 0 113 0.17 3.07 114 0 0 115 0.066 3.5 116 0.066 3.5 117 0.066 3.5 118 0.03 2.5 119 0.14 2.9 120 0.076 3.55 121 0.14 2.9 122 0.14 2.9 123 0.066 3.5 124 0.066 3.5 125 0.066 3.5 126 0.066 3.5 127 0.03 2.5 128 0.14 2.9 129 0.17 3.07 130 0 0 131 0.066 3.5 132 0.03 2.5 133 0.066 3.5 134 0.03 2.5 135 0.066 3.5 136 0.03 2.5 137 0.066 3.5 138 0.03 2.5 139 0.066 3.5 140 0.066 3.5 141 0.07 3.55 142 0.25 3.55 143 0.25 3.7 144 0.25 3.55 145 0.25 3.55 146 0 0 147 0 0 148 0.066 3.5 149 0.066 3.5 150 0.066 3.5 151 0.066 3.5 152 0.066 3.5 153 0.066 3.5 154 0.066 3.5 155 0.066 3.5 156 0.066 3.5 157 0.066 3.5 158 0.066 3.5 159 0.066 3.5 160 0.066 3.5 161 0.066 3.5 162 0.066 3.5 163 0.07 3.55 164 0.25 3.55 165 0.066 3.5 166 0.066 3.5 167 0.066 3.5 168 0.3 3.4 169 0.076 3.55 170 0.07 3.55 171 0.066 3.5 172 0.066 3.5 173 0.105 3.75 174 0.105 3.75 175 0.105 3.75 176 0.105 3.75 177 0.105 3.75 178 0.21 2.96 179 0.17 3.25 180 0.17 3.25 181 0.17 3.25 182 0 0 183 0 0 184 0.066 3.5 185 0.066 3.5 186 0.066 3.5 187 0.066 3.5 188 0.066 3.5 189 0.105 3.75 190 0.21 2.96 191 0.17 3.25 192 0 0 193 0.17 3.25 194 0.105 3.75 195 0.21 2.96 196 0 0 197 0.02 2.5 198 0.066 3.5 199 0.066 3.5 200 0.066 3.5 201 0.066 3.5 202 0.07 3.55 203 0.15 3.65 204 0.17 3.2 205 0.07 3.55 206 0.3 3.4 207 0.17 3.25 208 0.07 3.55 209 0.105 3.75 210 0.21 2.96 211 0.17 3 212 0 0 213 0.105 3.75 214 0.21 2.96 215 0.066 3.5 216 0.066 3.5 217 0.066 3.5 218 0.066 3.5 219 0.105 3.75 220 0.21 2.96 221 0.015 2.42 222 0.105 3.75 223 0.21 2.96 224 0.015 2.42 225 0.066 3.5 226 0.066 3.5 227 0.066 3.5 228 0.066 3.5 229 0.17 3.25 230 0.17 3.25 231 0.17 3.25 232 0 0 233 0 0 234 0.066 3.5 235 0.066 3.5 236 0.066 3.5 237 0.066 3.5 238 0.066 3.5 239 0.066 3.5 240 0.066 3.5 241 0.066 3.5 242 0.066 3.5 243 0.17 3.25 244 0 0 245 0.05 3.55 246 0.17 3.25 247 0 0 248 0.066 3.5 249 0.066 3.5 250 0.066 3.5 251 0.066 3.5 252 0.17 3.25 253 0 0 254 0.17 3.25 255 0.08 3.5 256 0.17 3.25 257 0 0 258 0.08 3.5 259 0.05 2.5 260 0.08 3.5 261 0.05 2.5 262 0.17 3.25 263 0.105 3.75 264 0.17 3.25 265 0.105 3.75 266 0.08 3.5 267 0.08 3.5 268 0 0 269 0.21 2.96 270 0 0 271 0.21 2.96 272 0.05 2.5 273 0.05 2.5 274 0.08 3.5 275 0.05 2.5 276 0.17 3.25 277 0.105 3.75 278 0.17 3.25 279 0.08 3.5 280 0.08 3.5 281 0.08 3.5 282 0 0 283 0.21 2.96 284 0.17 3.25 285 0 0 286 0 0 287 0.05 2.5 288 0.05 2.5 289 0.17 3.25 290 0.08 3.5 291 0.17 3.25 292 0.08 3.5 293 0.08 3.5 294 0.08 3.5 295 0.17 3.25 296 0.08 3.5 297 0.17 3.25 298 0.05 2.5 299 0.17 3.25 300 0 0 301 0 0 302 0.05 2.5 303 0 0 304 0.17 3.25 305 0.08 3.5 306 0.17 3.25 307 0.08 3.5 308 0.08 3.5 309 0.105 3.75 310 0 0 311 0.17 3.25 312 0 0 313 0.21 2.96 314 0.08 3.5 315 0.05 2.5 316 0.08 3.5 317 0.05 2.5 318 0.08 3.5 319 0.05 2.5 320 0.17 3.25 321 0.105 3.75 322 0.17 3.25 323 0.08 3.5 324 0.08 3.5 325 0.08 3.5 326 0 0 327 0.21 2.96 328 0 0 329 0.17 3.25 330 0 0 331 0 0 332 0.05 2.5 333 0.05 2.5 334 0.08 3.5 335 0.05 2.5 336 0.2 3.74 337 0.21 2.96 338 0.17 3 339 0.066 3.55 340 0.08 3.5 341 0.3 3.4 342 0.076 3.55 343 0.71 3.05 344 0.71 4.02 345 0.71 4.28 346 0.71 4.81 347 0.0005 5.34 348 0.0005 2.87 349 0.0005 4.07 350 0.0005 5.17 351 0.0005 5.6 352 0.0005 6.2 353 0.875044 1.64447 354 0.449657 2.41203 355 0.118226 3.10269 356 0.047096 3.81661 357 0.3 4.2 358 0.05 2.5 359 0.5 4.25 360 0.3 4.2 361 0.05 2.5 362 0.25 3.15 363 0.3 4.2 364 0.05 2.5 365 0.15 3.65 366 0.25 3.4 367 0.3 4.2 368 0.05 2.5 369 0.25 3.4 370 0.05 2.5 371 0.3 4.2 372 0.05 2.5 373 0.3 4.2 374 0.05 2.5 375 0 0 376 0.25 3.2 377 0 0 378 0.4 2.81524 379 0.2 3.11815 380 0.14 2.9 381 0.2 3.74 382 0.2 3.15 383 0.14 2.9 384 0.066 3.5 385 0.03 2.5 386 0.2 3.74 387 0.2 3.15 388 0.14 2.9 389 0.066 3.5 390 0.03 2.5 391 0.2 3.74 392 0.2 3.15 393 0.14 2.9 394 0.066 3.5 395 0.03 2.5 396 0.066 3.5 397 0.03 2.5 398 0.07 3.55 399 0.066 3.5 400 0.03 2.5 401 0.07 3.55 402 0.066 3.5 403 0.03 2.5 404 0.07 3.55 405 0.066 3.5 406 0.105 3.75 407 0.21 2.96 408 0.17 3 409 0.066 3.5 410 0.015 2.42 411 0.105 3.75 412 0.105 3.75 413 0.07 3.55 414 0.17 3 415 0.25 3.55 416 0.17 2.96 417 0.066 3.5 418 0.03 2.5 419 0.17 3.25 420 0 0 421 0.17 3.25 422 0 0 423 0.066 3.5 424 0.03 2.5 425 0.066 3.5 426 0.03 2.5 427 0.066 3.5 428 0.03 2.5 429 0.07 3.55 430 0.07 3.55 431 0.066 3.5 432 0.066 3.5 433 0.066 3.5 434 0.25 3.55 435 0.17 2.96 436 0.395 3.56 437 0.395 3.56 438 0.28 2.93 439 0.066 3.5 440 0.066 3.5 441 0.07 3.55 442 0.07 3.55 443 0.07 3.55 444 0.17 3.25 445 0 0 446 0.066 3.5 447 0.07 3.55 448 0.07 3.55 449 0.07 3.55 450 0.07 3.55 451 0.07 3.55 452 0.17 3.25 453 0.17 3.25 454 0 0 455 0.07 3.55 456 0.066 3.5 457 0.066 3.5 458 0.076 3.55 459 0.076 3.55 460 0.07 3.55 461 0.17 3.25 462 0.07 3.55 463 0.07 3.55 464 0.07 3.55 465 0.03 2.42 466 0.03 2.42 467 0.03 2.42 468 0.17 3.25 469 0.07 3.55 470 0.03 2.42 471 0.17 3.25 472 0.07 3.55 473 0.07 3.55 474 0.07 3.55 475 0.03 2.42 476 0.03 2.42 477 0.03 2.42 478 0.17 3.25 479 0.07 3.55 480 0.07 3.55 481 0.03 2.42 482 0.03 2.42 483 0.17 3.25 484 0.07 3.55 485 0.07 3.55 486 0 0 487 0.03 2.42 488 0.03 2.42 489 0.17 3.25 490 0.17 3.25 491 0.07 3.55 492 0.07 3.55 493 0.07 3.55 494 0 0 495 0.03 2.42 496 0.03 2.42 497 0.03 2.42 498 0.17 3.25 499 0.07 3.55 500 0.17 3.25 501 0.07 3.55 502 0.07 3.55 503 0 0 504 0.03 2.42 505 0.03 2.42 506 0.03 2.42 507 0.14 2.9 508 0.07 3.55 509 0.076 3.55 510 0.03 2.42 511 0.03 2.42 512 0.14 2.9 513 0.07 3.55 514 0.17 3.25 515 0.07 3.55 516 0.07 3.55 517 0.03 2.42 518 0.03 2.42 519 0.03 2.42 520 0.14 2.9 521 0.17 3.25 522 0.07 3.55 523 0.07 3.55 524 0.07 3.55 525 0.03 2.42 526 0.03 2.42 527 0.03 2.42 528 0.17 3.25 529 0.07 3.55 530 0.07 3.55 531 0.07 3.55 532 0.07 3.55 533 0.07 3.55 534 0.07 3.55 535 0.07 3.55 536 0.07 3.55 537 0 0 538 0.03 2.42 539 0.03 2.42 540 0.03 2.42 541 0.03 2.42 542 0.03 2.42 543 0.03 2.42 544 0.17 3.25 545 0.07 3.55 546 0.07 3.55 547 0.07 3.55 548 0.07 3.55 549 0.07 3.55 550 0.07 3.55 551 0.07 3.55 552 0.07 3.55 553 0.07 3.55 554 0.03 2.42 555 0.03 2.42 556 0.03 2.42 557 0.03 2.42 558 0.03 2.42 559 0.03 2.42 560 0.03 2.42 561 0.17 3.25 562 0.07 3.55 563 0.17 3.25 564 0.07 3.55 565 0.07 3.55 566 0.07 3.55 567 0.17 3.25 568 0.07 3.55 569 0.17 3.25 570 0.03 2.42 571 0.03 2.42 572 0.03 2.42 573 0 0 574 0.25 3.55 575 0.07 3.55 576 0.17 3.25 577 0.07 3.55 578 0.07 3.55 579 0.03 2.42 580 0.03 2.42 581 0.03 2.42 582 0.17 3.25 583 0.07 3.55 584 0.03 2.42 585 0.07 3.55 586 0.066 3.5 587 0.17 3.25 588 0.07 3.55 589 0.07 3.55 590 0.07 3.55 591 0.07 3.55 592 0.07 3.55 593 0.07 3.55 594 0.03 2.42 595 0.03 2.42 596 0.03 2.42 597 0.03 2.42 598 0.17 3.25 599 0.07 3.55 600 0.17 3.25 601 0.07 3.55 602 0.07 3.55 603 0.066 3.5 604 0.03 2.42 605 0.03 2.42 606 0.03 2.42 607 0.03 2.5 608 0.066 3.5 609 0.066 3.5 610 0.066 3.5 611 0.066 3.5 612 0.066 3.5 613 0.066 3.5 614 0.066 3.5 615 0.066 3.5 616 0.066 3.5 617 0.066 3.5 618 0.066 3.5 619 0.066 3.5 620 0.066 3.5 621 0.066 3.5 622 0.066 3.5 623 0.25 3.55 624 0 0 625 0.07 3.55 626 0.105 3.75 627 0.17 3.25 628 0.066 3.5 629 0.066 3.5 630 0.066 3.5 631 0.07 3.55 632 0.07 3.55 633 0.07 3.55 634 0.07 3.55 635 0.07 3.55 636 0.07 3.55 637 0.25 3.55 638 0.054 3.473 639 0.05 3.3 640 0.05 3.3 641 0.076 3.55 642 0.066 3.5 643 0.03 2.5 644 0.06 3.75 645 0.054 3.473 646 0.05 3.3 647 0.05 3.3 648 0.04 2.95 649 0.076 3.55 650 0.3 3.4 651 0.03 2.42 652 0.066 3.5 653 0.066 3.5 654 0.066 3.5 655 0.07 3.55 656 0.03 2.42 657 0.07 3.55 658 0.03 2.42 659 0.07 3.55 660 0.061 2.85 661 0.07 3.55 662 0.061 2.85 663 0.47 3.47 664 0.118 3.905 665 0.07 3.55 666 0.062 3.25 667 0.061 2.94 668 0.07 3.55 669 0.061 2.85 670 0.07 3.55 671 0.47 3.47 672 0.07 3.55 673 0.6 3.75 674 0.066 3.5 675 0.25 3.55 676 0.07 3.55 677 0.07 3.55 678 0.07 3.55 679 0.07 3.55 680 0.07 3.55 681 0.03 2.42 682 0.03 2.42 683 0.05 3.55 684 0.17 3.25 685 0 0 686 0 0 687 0.03 2.42 688 0.066 3.5 689 0.066 3.5 690 0.17 3.25 691 0.17 3.25 692 0.17 3.25 693 0.05 3.55 694 0.17 3.2 695 0.066 3.3 696 0.066 3.3 697 0.066 3.3 698 0.066 3.3 699 0.066 3.3 700 0.015 2.5 701 0.12 3.25 702 0.17 2.96 703 0.066 3.5 704 0.015 2.5 705 0.066 3.5 706 0.066 3.5 707 0.066 3.5 708 0.12 3.25 709 0.07 3.55 710 0.066 3.3 711 0.17 3.25 712 0.21 2.96 713 0.105 3.75 714 0.17 3 715 0.066 3.5 716 0.066 3.5 717 0.066 3.5 718 0.015 2.42 719 0.015 2.42 720 0.015 2.42 721 0.14 2.9 722 0.2 3.74 723 0.066 3.5 724 0.066 3.5 725 0.03 2.5 726 0.2 3.74 727 0.061 3.1181 728 0.17 3.15 729 0.21 2.86 730 0.17 3.3 731 0.17 3.3 732 0.17 3.3 733 0.066 3.5 734 0.066 3.5 735 0.066 3.5 736 0.066 3.5 737 0.066 3.5 738 0.066 3.5 739 0 0 740 0 0 741 0.015 2.5 742 0.066 3.5 743 0.066 3.5 744 0.066 3.5 745 0.066 3.5 746 0.07 3.55 747 0.07 3.55 748 0.07 3.55 749 0.066 3.5 750 0.066 3.5 751 0.066 3.5 752 0.066 3.5 753 0.066 3.5 754 0.066 3.5 755 0.086 3.3 756 0.015 2.42 757 0.21 3.3 758 0.135 3.3 759 0.1 3.3 760 0.015 2.5 761 0.066 3.5 762 0.066 3.5 763 0.066 3.5 764 0.17 3.12 765 0 0 766 0.17 3.25 767 0.17 3.25 768 0.17 3.25 769 0.21 3.3 770 0.17 3.25 771 0 0 772 0.066 3.5 773 0.066 3.5 774 0.066 3.5 775 0.066 3.5 776 0.07 3.55 777 0.076 3.55 778 0.07 3.55 779 0.07 3.55 780 0.03 2.5 781 0.066 3.5 782 0.105 3.75 783 0.17 3.25 784 0.21 2.96 785 0 0 786 0.061 2.94 787 0.066 3.5 788 0.03 2.5 789 0.066 3.5 790 0.066 3.5 791 0.066 3.5 792 0.066 3.5 793 0.066 3.5 794 0.097 3.5 795 0.053 2.95 796 0.062 3.25 797 0.03 2.5 798 0.066 3.5 799 0.066 3.5 800 0.3 3.4 801 0.066 3.5 802 0.03 2.5 803 0.066 3.5 804 0.066 3.5 805 0.47 3.47 806 0.066 3.5 807 0.03 2.5 808 0.066 3.5 809 0.066 3.5 810 0.061 2.94 811 0.3 3.4 812 0.47 3.47 813 0.07 3.55 814 0.14 2.9 815 0.066 3.5 816 0.06 2.9 817 0.17 3.25 818 0.07 3.55 819 0.066 3.5 820 0.105 3.75 821 0.105 3.75 822 0.21 2.96 823 0.17 3.25 824 0 0 825 0.17 3.12 826 0 0 827 0.066 3.5 828 0.066 3.5 829 0.07 3.55 830 0.07 3.55 831 0.07 3.55 832 0.07 3.55 833 0.07 3.55 834 0.0125 1.96 835 0.066 3.5 836 0.066 3.5 837 0.066 3.5 838 0.6 3.75 839 0.03 2.5 840 0.17 3.25 841 0.07 3.55 842 0.07 3.55 843 0.17 3.25 844 0.07 3.55 845 0.105 3.75 846 0.21 2.96 847 0.17 3.25 848 0.066 3.5 849 0.066 3.5 850 0.066 3.5 851 0.066 3.5 852 0.015 2.42 853 0.105 3.75 854 0.21 2.96 855 0.015 2.42 856 0.066 3.5 857 0.066 3.5 858 0.066 3.5 859 0.066 3.5 860 0.066 3.5 861 0.066 3.5 862 0.066 3.5 863 0.066 3.5 864 0.066 3.5 865 0.066 3.5 866 0.1 4 867 0.1 4 868 0.1 4 869 0.1 4 870 0.03 2.5 871 0.066 3.5 872 0.066 3.5 873 0.066 3.5 874 0.066 3.5 875 0.72 3.08 876 0.11779 4.18 877 0.09 4.51 878 0.07 5.15 879 0.018279 2.7 880 0.002772 3.35 881 0.000328 4.06 882 0.000171 4.32 883 8.1e-05 4.82 884 0.875044 2.91 885 0.449657 3.47 886 0.118226 3.82 887 0.047096 4.18 888 0.066 3.5 889 0.066 3.5 890 0.066 3.5 891 0.066 3.5 892 0.03 2.5 893 0.17 3.25 894 0.07 3.55 895 0.17 3.25 896 0.07 3.55 897 0.076 3.55 898 0.076 3.55 899 0.03 2.42 900 0.086 3.3 901 0.086 3.3 902 0.086 3.3 903 0.086 3.3 904 0.086 3.3 905 0.21 2.96 906 0.066 3.5 Bond Coeffs # harmonic 1 367 1.38 2 420 1.357 3 367 1.36 4 450 1.279 5 300 0.3 6 420 1.34 7 420 1.354 8 420 1.354 9 420 1.354 10 420 1.354 11 420 1.354 12 420 1.354 13 461 1.57 14 260 1.526 15 317 1.522 16 386 1.425 17 260 1.526 18 260 1.526 19 317 1.5 20 317 1.51 21 260 1.526 22 317 1.5 23 222 1.81 24 222 1.81 25 320 1.425 26 337 1.449 27 382 1.448 28 317 1.51 29 260 1.526 30 367 1.471 31 337 1.463 32 317 1.495 33 350 1.51 34 570 1.229 35 450 1.364 36 317 1.522 37 317 1.522 38 469 1.4 39 317 1.522 40 400 1.444 41 214 1.327 42 300 1.79 43 490 1.335 44 317 1.522 45 340 1.09 46 410 1.444 47 400 1.49 48 385 1.46 49 656 1.25 50 457 1.358 51 418 1.388 52 447 1.419 53 300 1.98 54 400 1.49 55 385 1.46 56 424 1.383 57 490 1.335 58 553 0.3 59 525 1.48 60 570 1.229 61 700 1.171 62 386 1.425 63 553 0.945 64 386 1.425 65 320 1.41 66 250 1.47 67 400 1.38 68 340 0.3 69 320 1.45 70 450 1.37 71 450 1.364 72 320 1.38 73 230 1.61 74 450 1.67 75 94 1.8 76 374 1.64 77 260 1.526 78 260 1.526 79 317 1.5 80 260 1.526 81 317 1.5 82 222 1.81 83 222 1.81 84 320 1.425 85 337 1.449 86 382 1.448 87 317 1.51 88 260 1.526 89 367 1.471 90 337 1.463 91 222 1.81 92 337 1.475 93 553 0.945 94 340 0.1 95 530 1.34 96 530 1.34 97 530 1.34 98 260 1.526 99 317 1.5 100 317 1.5 101 320 1.425 102 337 1.449 103 382 1.448 104 337 1.475 105 530 1.34 106 317 1.5 107 530 1.34 108 222 1.76 109 469 1.4 110 469 1.4 111 469 1.4 112 469 1.4 113 268 1.529 114 317 1.5 115 222 1.81 116 222 1.81 117 390 1.43 118 390 1.47 119 320 1.41 120 245 1.781 121 340 1.79 122 337 1.449 123 340 0.3 124 382 1.448 125 340 1.09 126 317 1.51 127 317 1.51 128 317 1.51 129 268 1.529 130 367 1.471 131 337 1.463 132 337 1.449 133 337 1.475 134 317 1.51 135 212 1.843 136 245 1.945 137 200 2.19 138 340 1.77 139 317 1.495 140 317 1.504 141 317 1.504 142 317 1.504 143 317 1.495 144 337 1.449 145 280 1.51 146 532.8 1.46 147 382 1.448 148 375 1.49 149 212 1.82 150 337 1.475 151 337 1.449 152 187 1.86 153 317 1.51 154 530 1.34 155 274 1.336 156 250 1.74 157 166 2.038 158 300 1.685 159 250 1.73 160 340 0.5 161 250 1.76 162 250 1.76 163 250 1.73 164 250 1.76 165 250 1.74 166 222 1.81 167 144 2.15 168 340 0.1 169 550 1.12 170 650 1.157 171 400 1.41 172 550 1.24 173 1150 1.21 174 330 1.637 175 420 1.08 176 400 1.426 177 400 1.451 178 400 1.426 179 330 1.784 180 400 1.451 181 400 1.451 182 250 1.47 183 200 1.69 184 320 1.45 185 340 0.3 186 320 1.45 187 450 1.37 188 450 1.364 189 320 1.38 190 340 1.36 191 462 1.399 192 230 1.61 193 462 1.357 194 340 1.36 195 374 1.64 196 300 0.3 197 300 1.725 198 300 1.725 199 300 1.725 200 300 1.725 201 300 1.725 202 300 1.725 203 300 1.725 204 223 2.02 205 700 1.53 206 340 0.5 207 340 0.3 208 700 1.44 209 367 0.3 210 434 1.01 211 427 1.381 212 427 1.381 213 434 1.67 214 427 1.381 215 427 1.381 216 337 1.449 217 500 1.27 218 40 2.05 219 340 0.3 220 340 0.3 221 340 0.1 222 340 0.3 223 340 0.3 224 367 0.3 225 340 0.3 226 340 0.3 227 367 0.3 228 367 0.3 229 300 0.3 230 340 0.1 231 600 0.9572 232 900 0.15 233 40 2.05 234 529.6 0.9572 235 600 0.9572 236 900 0.175 237 600 0.9572 238 900 0.7 239 600 1 240 350 1.445 241 434 1.01 242 481 1.34 243 340 1.77 244 382 1.448 245 266 1.74 246 434 1.01 247 434 1.01 248 434 1.01 249 434 1.01 250 434 1.01 251 434 1.01 252 166 1.48 253 340 1.08 254 340 1.08 255 340 1.09 256 340 1.08 257 340 1.088 258 532.8 1.084 259 166 1.48 260 340 1.08 261 549 1.34 262 427 1.433 263 549 1.34 264 448 1.365 265 367 1.08 266 300 1.9 267 250 2.08 268 385 1.46 269 317 1.51 270 448 1.365 271 700 1.305 272 469 1.4 273 367 1.08 274 427 1.433 275 400 1.45 276 481 1.34 277 483 1.339 278 427 1.381 279 469 1.404 280 414 1.391 281 220 1.78 282 300 1.87 283 250 2.08 284 340 1.77 285 469 1.4 286 546 1.367 287 469 1.4 288 469 1.421 289 317 1.49 290 382 1.385 291 400 1.46 292 427 1.433 293 367 1.08 294 340 1.08 295 367 1.08 296 367 1.08 297 367 1.08 298 367 1.08 299 367 1.08 300 367 1.08 301 385 1.46 302 457 1.29 303 549 1.365 304 385 1.46 305 337 1.475 306 525 1.48 307 434 1.01 308 434 1.01 309 481 1.34 310 481 1.34 311 500 1.32 312 502 1.324 313 461 1.354 314 461 1.354 315 483 1.339 316 550 1.21 317 457 1.29 318 436 1.374 319 400 1.349 320 440 1.371 321 428 1.38 322 477 1.343 323 427 1.381 324 427 1.381 325 385 1.44 326 367 1.08 327 367 1.08 328 367 1.08 329 520 1.37 330 414 1.391 331 388 1.459 332 447 1.419 333 469 1.424 334 436 1.374 335 400 1.28 336 529 1.304 337 488 1.335 338 410 1.394 339 410 1.394 340 410 1.32 341 367 1.08 342 440 1.371 343 367 1.08 344 108 2.25 345 300 1.87 346 300 1.87 347 300 1.87 348 300 1.87 349 300 1.87 350 151 2.19 351 250 2.08 352 250 2.08 353 250 2.08 354 250 2.08 355 250 2.08 356 108 2.44 357 500 1.8 358 546 1.352 359 385 1.46 360 520 1.37 361 520 1.37 362 385 1.46 363 512 1.375 364 385 1.46 365 546 1.367 366 520 1.37 367 520 1.37 368 385 1.46 369 385 1.46 370 385 1.46 371 469 1.424 372 469 1.424 373 490 1.335 374 317 1.522 375 337 1.449 376 260 1.52 377 550 1.225 378 94 2.32 379 549 1.345 Angle Coeffs # harmonic 1 33 109.47 2 50 109.5 3 63 112.4 4 63 112.4 5 80 109.5 6 63 112.4 7 63 112.4 8 80 109.5 9 63 112.4 10 63 112.4 11 63 112.4 12 63 112.4 13 80 109.5 14 63 114 15 63 112.4 16 50 108.6 17 50 114.7 18 50 114.7 19 80 109.5 20 80 109.5 21 80 109.5 22 80 110.3 23 80 111.2 24 56.2 109.47 25 56.2 109.47 26 56.2 109.47 27 56.2 109.47 28 80 111.2 29 63 112.4 30 63 114 31 63 112.4 32 63 112.4 33 80 111.2 34 80 111.2 35 63 115.6 36 80 120.4 37 80 121 38 80 121.4 39 80 126 40 80 121 41 80 120.4 42 70 115 43 80 120.4 44 70 120 45 85 120 46 70 108 47 70 116 48 80 111 49 80 117.2 50 80 120.4 51 81 111.4 52 81 111.4 53 83 123.4 54 75 109 55 75 119 56 70 114.2 57 70 116.6 58 70 116.6 59 70 116.6 60 70 116.6 61 70 116.6 62 80 122.9 63 81 111.4 64 70 116 65 80 120.4 66 35 115 67 35 115 68 35 123 69 40 114 70 40 115 71 40 115 72 70 115.5 73 80 125.3 74 35 115 75 70 115.5 76 70 116 77 70 120 78 80 120.4 79 81 111.4 80 85 120 81 70 116 82 80 116 83 80 124 84 65 117 85 70 117 86 70 117 87 70 117 88 70 117 89 80 126 90 80 126 91 35 122 92 80 122.5 93 70 114.1 94 70 118.6 95 70 118.6 96 80 120.6 97 70 111.3 98 70 111.3 99 80 128.8 100 75 109 101 75 119 102 70 116 103 80 120.4 104 80 128.2 105 70 115.4 106 70 118.6 107 80 120.9 108 70 116.6 109 80 122.9 110 10 117 111 35 113 112 35 113 113 55 108.5 114 55 108.5 115 55 108.5 116 55 108.5 117 49 105.4 118 5 109.47 119 10 109.47 120 10 109.47 121 35 109 122 10 109.47 123 35 113 124 55 108.5 125 55 108.5 126 100 120.5 127 74 110 128 100 126 129 10 109.47 130 33 109.47 131 63 112.4 132 63 111.1 133 80 109.5 134 63 111.1 135 63 111.5 136 63 112.4 137 80 109.5 138 63 111.1 139 63 111.5 140 63 111.5 141 63 111.5 142 80 109.5 143 80 109.5 144 80 109.5 145 80 109.5 146 63 110.1 147 80 109.5 148 80 109.7 149 80 109.7 150 56.2 109.47 151 56.2 109.47 152 56.2 109.47 153 56.2 109.47 154 80 109.7 155 63 112.4 156 80 109.5 157 80 109.5 158 80 109.5 159 80 109.5 160 70 124 161 70 124 162 70 124 163 70 118 164 70 118 165 70 118 166 70 124 167 70 124 168 70 124 169 70 118 170 70 118 171 70 118 172 70 118 173 70 118 174 70 118 175 70 118 176 70 124 177 70 124 178 70 124 179 70 124 180 70 118 181 70 118 182 70 118 183 70 120 184 85 120 185 85 120 186 85 120 187 85 120 188 85 120 189 77 109.1 190 40 109.5 191 50 109.5 192 63 111.1 193 63 111.1 194 40 109.5 195 40 109.5 196 63 109.5 197 50 109.5 198 50 109.5 199 58.35 112.7 200 63 111.1 201 50 108.6 202 50 114.7 203 58.35 112.7 204 50 109.5 205 50 109.5 206 69 109.8 207 69 109.8 208 78 111.7 209 50 108.6 210 50 109.5 211 63 110.1 212 80 109.7 213 80 109.7 214 50 114.7 215 56.2 109.47 216 56.2 109.47 217 56.2 109.47 218 56.2 109.47 219 80 111.2 220 33 107.8 221 35 108.5 222 35 108.5 223 35 109.5 224 35 109.5 225 35 109.5 226 35 109.5 227 35 109.5 228 35 109.5 229 35 109.5 230 35 109.5 231 35 109.5 232 37.5 110.7 233 40 107 234 51 107.6 235 35 109.5 236 50 109.5 237 63 111.1 238 63 112.4 239 35 109.5 240 40 109.5 241 40 109.5 242 50 109.5 243 50 109.5 244 50 109.5 245 50 114.7 246 63 112 247 63 114 248 63 114 249 80 111.2 250 35 109.5 251 37.5 110.7 252 50 109.5 253 58.35 112.7 254 35 109.5 255 80 111.2 256 80 111.2 257 35 109.5 258 80 111.2 259 35 109.5 260 63 110.1 261 65 109 262 35 109.5 263 80 111.2 264 35 109.5 265 63 114 266 41 109.5 267 43 109.5 268 43 109.5 269 51 107.6 270 69 109.8 271 69 110 272 69 110 273 78 111.7 274 75 111 275 75 112 276 35 109.5 277 50 108.6 278 50 109.5 279 35 109.5 280 63 115.6 281 35 109.5 282 63 114 283 35 109.5 284 50 114.7 285 63 114 286 35 109.5 287 63 114 288 35 109.5 289 63 115.6 290 35 109.5 291 80 110 292 80 113 293 37.5 110.7 294 35 105 295 63 105 296 35 109.5 297 80 111.2 298 35 105 299 63 111.1 300 41 109.5 301 43 109.5 302 35 109.5 303 50 109.5 304 50 109.5 305 35 109.5 306 80 109.7 307 35 109.5 308 60 112 309 70 124 310 70 124 311 70 124 312 70 118 313 70 118 314 70 118 315 70 124 316 70 124 317 70 124 318 70 118 319 70 118 320 70 118 321 70 118 322 70 118 323 70 118 324 70 118 325 70 124 326 70 124 327 70 124 328 70 124 329 70 118 330 70 118 331 70 118 332 70 118 333 70 118 334 70 118 335 70 118 336 35 92.07 337 44 96 338 44 96 339 44 96 340 5 109.47 341 10 109.47 342 10 160 343 150 96.7 344 150 96.7 345 150 96.7 346 150 96.7 347 50 96 348 62 98.9 349 62 98.9 350 68 103.7 351 68 103.7 352 68 103.7 353 65 100 354 5 109.47 355 10 109.47 356 10 160 357 150 96.7 358 150 96.7 359 150 96.7 360 150 96.7 361 62 104.2 362 62 104.2 363 74 92.4 364 10 130 365 10 130 366 74 97 367 10 130 368 74 90 369 74 97 370 74 97 371 62 94 372 10 109.47 373 33 109.47 374 150 180 375 170 180 376 100 180 377 150 180 378 140 180 379 150 180 380 10 90 381 112 180 382 150 180 383 160 180 384 150 180 385 160 180 386 160 180 387 150 180 388 150 180 389 100 111.8 390 83 116.9 391 83 116.9 392 100 111.8 393 55 108.5 394 55 108.5 395 83 116.9 396 100 111.8 397 60 109.5 398 83 116.9 399 5 109.47 400 10 109.47 401 75 111 402 10 109.47 403 75 111 404 75 111 405 75 111 406 83 116.9 407 100 111.8 408 60 109.5 409 100 113 410 100 113 411 100 113 412 70 104.5 413 10 125 414 100 120.5 415 100 120.5 416 100 120.5 417 100 120.5 418 100 120.5 419 100 120.5 420 10 125 421 70 106.5 422 70 107 423 10 125 424 70 104 425 70 106.5 426 70 106.5 427 70 108.9 428 20 145 429 40 130 430 33 109.47 431 62 96 432 74 107 433 10 90 434 50 121.9 435 70 126.4 436 46 115.7 437 50 121.9 438 50 121.9 439 50 118 440 50 121.9 441 50 118 442 50 121.9 443 70 112 444 70 108.6 445 10 109.5 446 10 100 447 35 110.2 448 35 119.8 449 35 120 450 38 118.4 451 38 118.4 452 38 118.4 453 38 118.4 454 35 119.8 455 50 118 456 50 121.9 457 70 118 458 35 120 459 35 118 460 70 125.2 461 50 120 462 100 111 463 35 119.8 464 70 118 465 70 117 466 35 119.8 467 70 118 468 35 119.8 469 70 118 470 40 113 471 55 128 472 70 121 473 20 126 474 33 109.47 475 75 104.52 476 50 52.26 477 34.05 104.52 478 75 109.5 479 50 54.75 480 75 104.52 481 50 109.47 482 50 110.695 483 75 109.47 484 51.8 107.2 485 51.8 107.2 486 51.8 107.2 487 51.8 107.2 488 51.8 107.2 489 51.8 107.2 490 51.8 107.2 491 51.8 107.2 492 51.8 107.2 493 51.8 107.2 494 63 111.1 495 10 100 496 35 109.5 497 43.2 108.1 498 43.2 108.1 499 43.2 108.1 500 43.6 106.4 501 10 109.5 502 35 116 503 50 116 504 50 116 505 63 112 506 35 115 507 50 108.6 508 50 108.6 509 50 109.5 510 33 109.47 511 10 109.5 512 33 109.47 513 37.5 109.47 514 80 108 515 80 121.5 516 85 119.7 517 70 119.7 518 70 130 519 10 90 520 35 114.5 521 35 117 522 35 117 523 35 119.7 524 35 120 525 50 112 526 60 114 527 2 90 528 35 120 529 70 123 530 70 123 531 70 124 532 70 124 533 75 121.5 534 80 121.5 535 85 119.4 536 85 120.7 537 35 123.3 538 85 117 539 85 119.7 540 2 90 541 35 120 542 70 123 543 70 123 544 70 124 545 35 119.1 546 70 120 547 70 120 548 70 121.2 549 85 119.4 550 35 119.1 551 35 119.7 552 60 114 553 75 120 554 35 135 555 70 119.7 556 70 124 557 35 119.1 558 35 119.1 559 70 120 560 70 120 561 70 121.2 562 85 119.4 563 40 121 564 80 122 565 80 122 566 80 125 567 70 120 568 85 120 569 70 119.7 570 10 90 571 63 120 572 70 120 573 70 120 574 70 120 575 70 120 576 70 120 577 70 120 578 70 120 579 70 120 580 70 120 581 70 124 582 75 120 583 80 120 584 80 120 585 85 119.4 586 85 120 587 2 90 588 35 119.1 589 35 120 590 35 120 591 70 124 592 70 120 593 70 120 594 70 120.1 595 70 120.1 596 35 116 597 70 116 598 70 116 599 70 119.3 600 70 120 601 70 121.5 602 70 121.5 603 70 124 604 75 120 605 35 120 606 70 108.7 607 70 116 608 70 120 609 70 121.5 610 70 123.3 611 35 120 612 63 120 613 70 108.7 614 70 117.3 615 70 123.5 616 70 128.6 617 70 128.6 618 35 119.1 619 70 108.7 620 70 123.3 621 85 119.4 622 75 120 623 75 120 624 85 119.4 625 35 120 626 85 120 627 35 126.9 628 63 106.4 629 70 107.4 630 35 120 631 63 120 632 70 124 633 35 128.2 634 70 111.8 635 70 124.1 636 85 120 637 70 124 638 10 90 639 35 120 640 2 90 641 35 120 642 70 118.7 643 70 124 644 35 123.3 645 85 117 646 2 90 647 35 120 648 70 124 649 70 124 650 35 106 651 35 122 652 35 120 653 70 124 654 70 124 655 40 109.5 656 50 109.5 657 50 109.5 658 80 109.5 659 80 109.5 660 92.6 111.55 661 92.6 111.55 662 33 109.5 663 35 109.5 664 35 109.5 665 37.5 110.7 666 35 109.5 667 50 109.5 668 50 109.5 669 50 113 670 10 100 671 43.6 109.5 672 10 100 673 55 114 674 35 109.5 675 35 109.5 676 35 109.5 677 35 109.5 678 35 109.5 679 10 100 680 50 118 681 35 113 682 35 118.4 683 35 120 684 50 123.2 685 50 123.2 686 50 123.2 687 35 118.4 688 35 118.4 689 35 120 690 35 120 691 35 120 692 70 120.5 693 70 120 694 5 120 695 35 113 696 50 118 697 70 117 698 70 120.5 699 70 117 700 70 117 701 5 119.8 702 70 118.6 703 70 118.6 704 70 111 705 70 112.2 706 70 111 707 70 117 708 70 114 709 70 126.4 710 35 116.8 711 35 119.2 712 70 121.6 713 35 118 714 70 125.2 715 70 125.2 716 30 125.8 717 70 125.8 718 56 113.1 719 56 118.4 720 70 118.4 721 70 118.4 722 30 128.8 723 70 105.4 724 70 109.8 725 70 128.8 726 35 123.1 727 35 120 728 56 113.1 729 70 109.8 730 35 120 731 56 113.1 732 70 109.8 733 70 109.8 734 70 109.8 735 70 111.6 736 35 120 737 70 109.8 738 70 116 739 35 115.45 740 70 115.5 741 70 119.3 742 70 123.3 743 70 129.1 744 35 115.45 745 70 120 746 85 134.9 747 70 126.2 748 70 106.2 749 70 110.6 750 70 111 751 70 120 752 70 127.7 753 70 127.7 754 85 117.3 755 85 119.2 756 70 111 757 70 126.2 758 70 130 759 70 132.4 760 85 134.9 761 85 134.9 762 85 108.8 763 85 116.2 764 85 116.2 765 70 130 766 70 107.3 767 70 107.7 768 85 108.8 769 85 134.9 770 85 134.9 771 70 106.2 772 70 126.2 773 70 125.2 774 10 125 775 10 125 776 70 103.8 777 10 125 778 70 109 779 70 110 780 70 110 781 70 104.1 782 70 110 783 70 104.1 784 70 105.3 785 35 120 786 35 120 787 70 113.9 788 35 123.05 789 35 123.05 790 35 120 791 35 123.05 792 70 113.9 793 45 102.6 794 100 108.23 795 45 109.5 796 45 102.6 797 45 102.6 798 45 109.5 799 100 108.23 800 45 109.5 801 45 109.5 802 45 109.5 803 45 108.23 804 45 109.5 805 100 108.23 806 140 119.9 807 33 109.47 808 33 109.47 809 150 180 810 62 98.9 811 62 102 812 75 96.4 813 74 108.7 814 74 108.9 815 104 119 816 100 103 817 120 107 818 62 102 819 74 108.9 820 62 102 821 74 107.2 822 75 96.4 823 100 103 824 62 102 825 35 126.8 826 70 128.6 827 70 128.6 828 35 126.8 829 70 125 830 70 125 831 85 106.4 832 70 132.8 833 70 132.8 834 70 104.4 835 85 122.7 836 85 122.7 837 70 125 838 70 125 839 70 120.2 840 35 117 841 35 125 842 35 120 843 70 120 844 70 125 845 70 125 846 70 126.2 847 35 120 848 70 115 849 70 115 850 70 120 851 70 125 852 70 126.1 853 70 126.2 854 70 120 855 70 120 856 70 122 857 70 130 858 70 106.2 859 70 127.7 860 35 120 861 70 111 862 70 124.5 863 35 128.2 864 70 111 865 70 130.7 866 70 125 867 70 121.6 868 70 125 869 35 113.4 870 35 125 871 35 130.7 872 35 130.7 873 70 110 874 35 121.6 875 70 121.6 876 70 121.6 877 85 120 878 35 120 879 70 118.9 880 35 120 881 70 108.7 882 35 130.7 883 70 106.3 884 70 108 885 70 111 886 70 130.7 887 70 120 888 70 120 889 70 120 890 70 121.6 891 70 121.6 892 35 132.1 893 70 107.7 894 70 110.6 895 70 111 896 70 111.9 897 70 132.1 898 70 132.1 899 70 132.1 900 85 120 901 35 120 902 70 121.6 903 35 130.7 904 70 106.3 905 70 130.7 906 63 120 907 70 124 908 63 120 909 63 120 910 63 120 911 63 120 912 70 124 913 63 120 914 63 120 915 35 120 916 35 126.8 917 70 128.6 918 35 125.7 919 35 126.8 920 70 103.8 921 70 110.4 922 70 125 923 70 125 924 70 130 925 85 106.4 926 70 125.7 927 35 127.5 928 70 107.3 929 70 107.3 930 70 127.5 931 70 103.8 932 35 128.6 933 35 118.9 934 70 118.9 935 70 118.9 936 70 111.9 937 80 134 938 70 91 939 80 134 940 55 127 941 50 94 942 50 126 943 35 108 944 35 114.3 945 35 114.3 946 35 114.3 947 37.5 108 948 35 109.5 949 37.5 110 950 70 117 951 35 111 952 55 109 953 30 79.2 954 37.5 117.2 955 37.5 117.2 956 37.5 117.2 957 37.5 126 958 55 128 959 63 85 960 63 114 961 80 89 962 172.8 120 963 144 120 964 35 109.5 965 43.6 106.4 966 50 112.5 967 50 120.5 968 80 117.5 969 80 117.5 970 80 125 971 10 109.5 972 10 109.5 973 45 109.5 974 70 117.6 975 70 117.6 976 35 119.2 977 35 119.2 978 70 121.2 979 70 121.6 980 70 117.6 981 70 121.2 982 30 125.8 983 70 125.8 984 70 125.8 985 70 125.8 986 70 125.8 987 30 128.8 988 70 105.4 989 70 128.8 990 70 128.8 991 70 128.8 992 70 128.8 993 20 109.5 994 20 109.5 995 50 118 996 50 121.9 997 35 110.5 998 60 110 999 60 100 1000 60 110 1001 35 110.5 1002 35 109.5 1003 35 110.5 1004 35 109.5 1005 35 110.5 1006 35 110.5 1007 35 110.5 1008 50 112 1009 35 123.3 1010 35 120 1011 70 124 1012 35 120 1013 70 124 1014 70 124 1015 85 117 1016 160 180 1017 160 180 Dihedral Coeffs # opls 1 -2.5 1.25 3.1 0 2 -2.5 1.25 3.1 0 3 -2 0.7 3 0 4 -2 0.7 3 0 5 -3.4 1.25 3.1 0 6 -3.4 1.25 3.1 0 7 -3.4 1.25 3.1 0 8 -3.4 1.25 3.1 0 9 -2 0.5 3.25 0 10 -3.4 1.25 3.1 0 11 -2 0.5 3.25 0 12 -3.4 1.25 3.1 0 13 0.3 0 1.3 0 14 0.3 0 1.3 0 15 0.3 0 1.3 0 16 -2.5 1.25 3.1 0 17 -3.4 1.25 3.1 0 18 -3.4 1.25 3.1 0 19 -7.4 3 1.8 0 20 -8.4 3 1.8 0 21 1.6 3.2 0 0 22 0 0.5 0 0 23 0 0 0 0 24 0 0 0 0 25 0.7 -1.5 0 0 26 -0.5 0.2 0 0 27 0.8 -0.76 0 0 28 -0.9 0.3 0 0 29 0 0 0.3 0 30 3 5.5 0 0 31 0 5 0 0 32 1.5 5.5 0 0 33 -2 5 0 0 34 1.5 5.5 0 0 35 4 5 0 0 36 0 0 0 0 37 0 0 0.36 0 38 0 0 0.085 0 39 0 0 0 0 40 0 0 0 0 41 -0.65 0 0 0 42 0 0.82 0 0 43 0 0 0 0 44 0 0 0 0 45 0 0.546 0 0 46 0 1.412 0 0 47 5.26 0.82 0 0 48 0 0 0 0 49 1.454 -0.144 -0.775 0 50 0 0 0.275 0 51 0 0 -0.553 0 52 0 0 0.132 0 53 0 0 0 0 54 0 0 0.36 0 55 1.173 0.189 -1.2 0 56 0.65 0 0 0 57 1.816 1.222 1.581 0 58 0 0 0 0 59 0 0 0 0 60 0 0 0.36 0 61 0 0 0.275 0 62 0 0.82 0 0 63 0 0.82 0 0 64 0 0 0 0 65 0 0 0 0 66 0 0 0.36 0 67 0 0 0 0 68 0 5.124 0 0 69 0 5 0 0 70 4.669 5.124 0 0 71 1.5 5 0 0 72 -2 5 0 0 73 4.669 5.124 0 0 74 4 5 0 0 75 0.4 4.9 0 0 76 0 4.9 0 0 77 0 6.603 0 0 78 0 6.089 0 0 79 0 4.9 0 0 80 0 6.089 0 0 81 0 6.089 0 0 82 0 6.089 0 0 83 2.3 6.089 0 0 84 0 4.9 0 0 85 4.542 6.603 1.045 0 86 2.3 6.089 0 0 87 0 4.9 0 0 88 2.3 6.089 0 0 89 2.3 6.089 0 0 90 0 4.9 0 0 91 2.3 6.089 0 0 92 4.6 0 0 0 93 0 4.9 0 0 94 2.3 6.089 0 0 95 0 4.9 0 0 96 0 4.9 0 0 97 0 4.9 0 0 98 2.3 6.089 0 0 99 2.3 6.089 0 0 100 2.3 6.089 0 0 101 2.3 6.089 0 0 102 2.3 6.089 0 0 103 2.3 6.089 0 0 104 0 4.9 0 0 105 2.3 6.089 0 0 106 2.3 6.089 0 0 107 2.3 6.089 0 0 108 0.9 0.23 -0.505 0 109 0 0 0 0 110 2.5 6 0 0 111 3.2 -3 0 0 112 0 0 0 0 113 2 0 0 0 114 0 0 0 0 115 2 0 0 0 116 0 2.1 0 0 117 0 2.1 0 0 118 0 0.2 0 0 119 0 2.1 0 0 120 0 1.1 0 0 121 0 0.2 0 0 122 0.9 0.23 -0.505 0 123 2.5 6 0 0 124 3.2 -3 0 0 125 0.8 -3 0 0 126 0 14 0 0 127 0 14 0 0 128 0 14 0 0 129 0 14 0 0 130 0 7 0 0 131 0 7 0 0 132 0 0 0 0 133 2 1 0 0 134 0 1 0 0 135 -2 1 0 0 136 0 1 0 0 137 -0.75 1.5 0 0 138 0.75 1.5 0 0 139 0 1.5 0 0 140 0 1.5 0 0 141 0 2.17 0 0 142 0 7.25 0 0 143 0 2.1 0 0 144 0 2.1 0 0 145 0 1.1 0 0 146 0 1.1 0 0 147 0 4.9 0 0 148 0 4.9 0 0 149 2.5 6 0 0 150 3.2 -3 0 0 151 0 0 0 0 152 0.3 0 0.5 0 153 0.3 0 0.5 0 154 0 0 0.2 0 155 0 0 0.2 0 156 -0.356 -0.174 0.492 0 157 0 0 0.352 0 158 -0.9 0 0 0 159 -0.9 0 0 0 160 -0.9 0 0 0 161 0 0 0.3 0 162 0 0 0.3 0 163 5.519 -6.7 0.581 0 164 2.722 -5.154 0 0 165 0 1.682 0 0 166 0 1.682 0 0 167 -1.257 -1.806 0.003 0 168 3 3 0 0 169 0 0 0 0 170 0 0 0 0 171 -0.75 0 0 0 172 0.75 0 0 0 173 2 0 0 0 174 -4.344 -1.714 0 0 175 1.711 -0.5 0.663 0 176 1.428 0.086 0.029 0 177 -2.5 0 0.25 0 178 0 0 0.54 0 179 0.3 -0.4 0.4 0 180 0 0 0.4 0 181 -0.55 0 1 0 182 -6.18 0 0 0 183 -2.06 -0.313 0.315 0 184 -4.344 -1.714 0 0 185 -4.344 -1.714 0 0 186 -9 2 0.8 0 187 0 0 -0.1 0 188 -1.697 -0.456 0.585 0 189 -1.697 -0.456 0.585 0 190 9.508 0 0 0 191 -1.552 0 0 0 192 4.319 0 0 0 193 8 0 0 0 194 6.28 -1.467 2.03 0 195 0 0 0.468 0 196 1.3 -0.05 0.2 0 197 1.262 -0.198 0.465 0 198 2.619 -0.62 0.258 0 199 0 -0.65 0 0 200 0 0 0.4 0 201 2.392 -0.674 0.55 0 202 0.845 -0.962 0.713 0 203 0 0 0.3 0 204 1.3 -0.05 0.2 0 205 2.732 -0.229 0.485 0 206 0 0 0.4 0 207 0 0 0.4 0 208 1.262 -0.198 0.465 0 209 1.964 0 0.659 0 210 0 0 0 0 211 0 0 0.452 0 212 0 0 0.452 0 213 0 0 0.366 0 214 -0.55 0 0 0 215 0 0 0.468 0 216 -0.25 0 0 0 217 2 0 0 0 218 0 0 0.4 0 219 11.035 -0.968 0.27 0 220 -1.013 -0.709 0.473 0 221 -0.8 0 0 0 222 0 0 0.464 0 223 0.845 -0.962 0.713 0 224 0.845 -0.962 0.713 0 225 0 0 0.3 0 226 0 0 0.366 0 227 0 0 0.462 0 228 0 0 0.3 0 229 0 0 0.384 0 230 0 0 -0.582 0 231 0 0 0.462 0 232 0 0 0.462 0 233 0 0 0.4 0 234 0 0 0.4 0 235 0 0 0.452 0 236 0 0 0.462 0 237 0 0 0.462 0 238 0 0 0.462 0 239 0 0 0.462 0 240 0 0 0.462 0 241 0 0 0.462 0 242 0 0 -0.225 0 243 0 0 0.3 0 244 0 0 0.464 0 245 0 0 0.45 0 246 0 0 0.366 0 247 1 0 0 0 248 5.2 -0.5 0 0 249 -0.759 -0.282 0.68 0 250 0 0 0.48 0 251 0.925 -0.576 0.677 0 252 1.941 -0.836 0.935 0 253 0 0 0.647 0 254 0 0 0.558 0 255 0 0 0.647 0 256 0 0 0 0 257 0 0 0 0 258 0 0 0 0 259 0 0 0 0 260 0 0 0 0 261 0 0 0 0 262 -0.521 -2.018 1.996 0 263 -0.5 -1.5 1 0 264 -0.5 -1.5 1 0 265 -1.22 -0.126 0.422 0 266 0.65 -0.25 0.67 0 267 -1.42 -0.62 0.1 0 268 0 0 0.76 0 269 0 0 0.198 0 270 0 0 0.76 0 271 0 0 0.76 0 272 0 0 0.76 0 273 0 0 0.3 0 274 0.416 -0.128 0.695 0 275 -0.19 -0.417 0.418 0 276 0 0 0.56 0 277 0 0 0.4 0 278 0 0 0.56 0 279 0 0 0 0 280 -2.365 0.912 -0.85 0 281 -1.737 1.251 -3.501 0 282 0 0 0 0 283 0 0.462 0 0 284 4.753 -0.734 0 0 285 0 0 0 0 286 0 0 0 0 287 2.929 -2.533 0.497 0 288 2.3 6.089 0 0 289 0 0 0 0 290 0 0 0 0 291 0 0 0 0 292 0 0 0 0 293 1.362 -1.457 0.149 0 294 0 0 0 0 295 1.711 -0.5 0.663 0 296 0 0 0.468 0 297 0.5 0 0 0 298 0.5 0 0 0 299 0.5 0 0 0 300 2.817 -0.169 0.543 0 301 0.346 0.405 -0.904 0 302 0.346 0.405 -0.904 0 303 0 0 0.3 0 304 0 0 0.318 0 305 0 0 -0.372 0 306 0 0 -0.372 0 307 0 0 -0.25 0 308 0 -8 0 0 309 0 -8 0 0 310 0 0 0 0 311 0 0.45 0 0 312 0 0 0 0 313 -0.5 0.5 -0.5 0 314 0 -0.4 0 0 315 0 0 0 0 316 0 0 0 0 317 0 0 0.4 0 318 0.5 0 0 0 319 0.346 0.405 -0.904 0 320 0 0 -0.372 0 321 0 0 -0.372 0 322 0 0 -0.372 0 323 1.711 -0.5 0.663 0 324 0 0 0.3 0 325 0 0 0.468 0 326 1.438 -0.124 0.264 0 327 0 0 0.347 0 328 0 0 0.302 0 329 0 0 0.261 0 330 0 0 0.462 0 331 0 0 0.3 0 332 -0.19 -0.417 0.418 0 333 1.829 0.243 -0.498 0 334 -0.19 -0.417 0.418 0 335 0 0 0 0 336 0 0 0 0 337 0 0 0.177 0 338 0 0 0 0 339 0 0 0 0 340 1 -0.35 0 0 341 2.756 -0.872 -3.68 0 342 -1 -0.35 0 0 343 1.5 -1.5 0 0 344 -1.5 -1.5 0 0 345 -1.5 -1.5 0 0 346 0 0 0 0 347 0 0.5 -0.5 0 348 0 0 0 0 349 0 0 0 0 350 0 0 0 0 351 0 0 0.25 0 352 0 0 0.25 0 353 2.25 0 0 0 354 0 0 0 0 355 0 0 0 0 356 0 0 0 0 357 0 0 0 0 358 0 0 0 0 359 0 0 0.35 0 360 0 0 0.35 0 361 0 0 0.35 0 362 0 0 0.35 0 363 0 0 0 0 364 0 0 0 0 365 -0.714 0 0 0 366 0 0 0 0 367 0 0 0 0 368 0 0 -0.48 0 369 0 0 0 0 370 0 0 0 0 371 0 0 0 0 372 0 0 0 0 373 0 0.45 0 0 374 0 0 0 0 375 1.7 -0.6 0 0 376 0 -0.4 0 0 377 0 0 0 0 378 0 0.45 0 0 379 0 0 0 0 380 0 -0.4 0 0 381 0 0 0 0 382 0 0 0 0 383 0 0 0 0 384 0 0 0 0 385 0 0 0 0 386 0 0 0.3 0 387 0 -1 0 0 388 0 -1 0 0 389 0 0.4 0 0 390 0 0 0 0 391 1 -0.5 0.5 0 392 0 0 0.3 0 393 0 0 0 0 394 1 -0.35 0 0 395 -1 -0.35 0 0 396 -1 -0.35 0 0 397 1.5 -1.5 0 0 398 3.132 -1.491 2.744 0 399 -1.5 -1.5 0 0 400 -1.737 1.251 -3.501 0 401 -1.396 -0.427 0 0 402 4.753 -0.734 0 0 403 0 0 -0.139 0 404 0 0 0 0 405 0 0 0 0 406 1 0 0 0 407 0 0 0.26 0 408 0 0 0.18 0 409 0 0 0 0 410 0 0 0.18 0 411 0.346 0.405 -0.904 0 412 0 0 0.3 0 413 0 0 0.318 0 414 0 0 -0.372 0 415 0 1.1 0 0 416 0 1.1 0 0 417 0 -7.414 1.705 0 418 0 0.6 0 0 419 1.6 5.1 0 0 420 0 4.8 0 0 421 0 7.25 0 0 422 0 7.25 0 0 423 0 7.25 0 0 424 0 7.25 0 0 425 0 7.25 0 0 426 0 0 0 0 427 0 0 0 0 428 0 0 0 0 429 0 0 0 0 430 0 0 0 0 431 0 0 0 0 432 0 0 0 0 433 0 0 0 0 434 0 0 0 0 435 0 0 0 0 436 0 0 0 0 437 0 0 0 0 438 0 0 0 0 439 0 0 0 0 440 0 0 0 0 441 0 0 0.3 0 442 0 0 0.3 0 443 0.65 -0.25 0.67 0 444 0 0 0.76 0 445 -3.5 3 0 0 446 -3.5 3 0 0 447 0 2.5 0 0 448 0 3 0 0 449 0.4 5.5 0 0 450 0 2.99 0 0 451 -0.375 -1.358 0.004 0 452 0.65 -0.25 0.67 0 453 -0.375 -1.358 0.004 0 454 0 0 0.76 0 455 3 3 0 0 456 0 5.2 0 0 457 0 0 0.562 0 458 3.5 -3.3 1.5 0 459 0 0 0 0 460 0 0 0 0 461 0 7.25 0 0 462 0 7.25 0 0 463 0 7.25 0 0 464 0 7.25 0 0 465 0 0 0 0 466 0 0 0 0 467 0 0 0.3 0 468 0 0 0.3 0 469 0 0 0.3 0 470 -7.582 3.431 3.198 0 471 0 2.03 0 0 472 0 2.1 0 0 473 0 2.1 0 0 474 0 2.1 0 0 475 0 2.1 0 0 476 0 2.1 0 0 477 0 2.1 0 0 478 0 2.1 0 0 479 0 2.1 0 0 480 0 2.1 0 0 481 0 2.1 0 0 482 0 2.1 0 0 483 0 2.1 0 0 484 0 2.1 0 0 485 0 2.1 0 0 486 0 7.25 0 0 487 0 7.25 0 0 488 0 7.25 0 0 489 0 7.25 0 0 490 0 0 0 0 491 2.074 -2.966 2.473 0 492 1.671 -4.901 0.669 0 493 0 2.1 0 0 494 0 2.1 0 0 495 0 2.1 0 0 496 0 2.1 0 0 497 0 2.1 0 0 498 0 2.1 0 0 499 0 2.1 0 0 500 0 2.17 0 0 501 0 3 0 0 502 0 2.1 0 0 503 0 2.1 0 0 504 0 2.1 0 0 505 0 2.1 0 0 506 0 2.17 0 0 507 0 2.17 0 0 508 0 7.25 0 0 509 0 2.17 0 0 510 0 2.17 0 0 511 0 2.17 0 0 512 0 2.17 0 0 513 0 0 0 0 514 -1.396 -0.427 0 0 515 -1.396 -0.427 0 0 516 0 0 0 0 517 0 0 0 0 518 0 0 0 0 519 0 0 0 0 520 0 -8 0 0 521 0 -8 0 0 522 0 14 0 0 523 0 14 0 0 524 0 14 0 0 525 0 14 0 0 526 0 14 0 0 527 0 14 0 0 528 0 14 0 0 529 0 14 0 0 530 0 14 0 0 531 0 14 0 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239 2464 2465 704 239 2464 2466 705 239 1834 1835 706 239 1834 1836 707 239 1894 1895 708 239 1894 1896 709 239 1861 1862 710 239 1861 1863 711 239 1864 1865 712 239 1864 1866 713 239 1930 1931 714 239 1930 1932 715 239 1594 1595 716 239 1594 1596 717 239 1294 1295 718 239 1294 1296 719 239 2227 2228 720 239 2227 2229 721 239 1831 1832 722 239 1831 1833 723 239 2911 2912 724 239 2911 2913 725 239 2251 2252 726 239 2251 2253 727 239 1939 1940 728 239 1939 1941 729 239 1900 1901 730 239 1900 1902 731 239 1987 1988 732 239 1987 1989 733 239 1450 1451 734 239 1450 1452 735 239 1954 1955 736 239 1954 1956 737 239 1354 1355 738 239 1354 1356 739 239 2320 2321 740 239 2320 2322 741 239 1657 1658 742 239 1657 1659 743 239 2317 2318 744 239 2317 2319 745 239 2401 2402 746 239 2401 2403 747 239 1663 1664 748 239 1663 1665 749 239 2773 2774 750 239 2773 2775 751 239 2290 2291 752 239 2290 2292 753 239 2197 2198 754 239 2197 2199 755 239 1600 1601 756 239 1600 1602 757 239 2287 2288 758 239 2287 2289 759 239 1897 1898 760 239 1897 1899 761 239 2200 2201 762 239 2200 2202 763 239 2233 2234 764 239 2233 2235 765 239 1960 1961 766 239 1960 1962 767 239 1993 1994 768 239 1993 1995 769 239 2203 2204 770 239 2203 2205 771 239 1996 1997 772 239 1996 1998 773 239 1933 1934 774 239 1933 1935 775 239 1957 1958 776 239 1957 1959 777 239 1990 1991 778 239 1990 1992 779 239 1117 1118 780 239 1117 1119 781 239 1936 1937 782 239 1936 1938 783 239 2707 2708 784 239 2707 2709 785 239 2506 2507 786 239 2506 2508 787 239 2212 2213 788 239 2212 2214 789 239 451 452 790 239 451 453 791 239 151 152 792 239 151 153 793 239 514 515 794 239 514 516 795 239 1477 1478 796 239 1477 1479 797 239 721 722 798 239 721 723 799 239 2011 2012 800 239 2011 2013 801 239 1381 1382 802 239 1381 1383 803 239 1051 1052 804 239 1051 1053 805 239 751 752 806 239 751 753 807 239 1741 1742 808 239 1741 1743 809 239 1744 1745 810 239 1744 1746 811 239 1084 1085 812 239 1084 1086 813 239 1774 1775 814 239 1774 1776 815 239 2860 2861 816 239 2860 2862 817 239 1420 1421 818 239 1420 1422 819 239 1924 1925 820 239 1924 1926 821 239 1081 1082 822 239 1081 1083 823 239 1714 1715 824 239 1714 1716 825 239 1141 1142 826 239 1141 1143 827 239 1111 1112 828 239 1111 1113 829 239 1171 1172 830 239 1171 1173 831 239 1423 1424 832 239 1423 1425 833 239 1351 1352 834 239 1351 1353 835 239 2044 2045 836 239 2044 2046 837 239 1684 1685 838 239 1684 1686 839 239 1627 1628 840 239 1627 1629 841 239 1414 1415 842 239 1414 1416 843 239 1411 1412 844 239 1411 1413 845 239 1951 1952 846 239 1951 1953 847 239 2014 2015 848 239 2014 2016 849 239 1384 1385 850 239 1384 1386 851 239 1387 1388 852 239 1387 1389 853 239 1690 1691 854 239 1690 1692 855 239 1654 1655 856 239 1654 1656 857 239 2047 2048 858 239 2047 2049 859 239 1303 1304 860 239 1303 1305 861 119 3016 3017 862 239 1723 1724 863 239 1723 1725 864 119 3018 3019 865 125 3018 3052 866 125 3018 3053 867 239 1087 1088 868 239 1087 1089 869 239 1327 1328 870 239 1327 1329 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2358 1103 483 2336 2335 2337 1104 483 1736 1735 1737 1105 483 2066 2065 2067 1106 483 2399 2398 2400 1107 483 2996 2995 2997 1108 483 2669 2668 2670 Dihedrals 1 569 3001 3002 3003 3007 2 576 3001 3002 3003 3004 3 576 3003 3002 3001 3006 4 577 3003 3002 3001 3027 5 175 3003 3007 3008 3009 6 225 3031 3007 3008 3033 7 225 3031 3007 3008 3034 8 225 3032 3007 3008 3033 9 225 3032 3007 3008 3034 10 227 3003 3007 3008 3033 11 227 3003 3007 3008 3034 12 312 3002 3003 3007 3008 13 312 3004 3003 3007 3008 14 315 3002 3003 3007 3031 15 315 3004 3003 3007 3031 16 315 3002 3003 3007 3032 17 315 3004 3003 3007 3032 18 570 3007 3003 3002 3028 19 570 3007 3003 3004 3029 20 576 3002 3003 3004 3005 21 577 3002 3003 3004 3029 22 577 3004 3003 3002 3028 23 196 3007 3008 3009 3010 24 203 3007 3008 3009 3035 25 203 3007 3008 3009 3036 26 203 3009 3008 3007 3031 27 203 3009 3008 3007 3032 28 225 3033 3008 3009 3035 29 225 3033 3008 3009 3036 30 225 3034 3008 3009 3035 31 225 3034 3008 3009 3036 32 569 3005 3004 3003 3007 33 576 3003 3004 3005 3006 34 577 3003 3004 3005 3030 35 585 3029 3004 3005 3030 36 564 3004 3005 3006 3016 37 577 3006 3005 3004 3029 38 271 3006 3016 3017 3050 39 271 3006 3016 3017 3051 40 215 3019 3018 3017 3050 41 215 3019 3018 3017 3051 42 266 3017 3018 3019 3020 43 564 3002 3001 3006 3016 44 576 3002 3001 3006 3005 45 577 3006 3001 3002 3028 46 585 3027 3001 3002 3028 47 214 3019 3020 3021 3022 48 215 3019 3020 3021 3056 49 215 3019 3020 3021 3057 50 225 3054 3020 3021 3056 51 225 3054 3020 3021 3057 52 225 3055 3020 3021 3056 53 225 3055 3020 3021 3057 54 214 3016 3017 3018 3019 55 215 3016 3017 3018 3052 56 215 3016 3017 3018 3053 57 225 3050 3017 3018 3052 58 225 3050 3017 3018 3053 59 225 3051 3017 3018 3052 60 225 3051 3017 3018 3053 61 266 3018 3019 3020 3021 62 268 3020 3019 3018 3052 63 268 3020 3019 3018 3053 64 268 3018 3019 3020 3054 65 268 3018 3019 3020 3055 66 215 3022 3021 3020 3054 67 215 3022 3021 3020 3055 68 266 3020 3021 3022 3023 69 448 3001 3006 3016 3017 70 448 3005 3006 3016 3017 71 565 3016 3006 3001 3027 72 565 3016 3006 3005 3030 73 576 3001 3006 3005 3004 74 577 3001 3006 3005 3030 75 577 3005 3006 3001 3027 76 262 3021 3022 3023 3024 77 268 3023 3022 3021 3056 78 268 3023 3022 3021 3057 79 268 3021 3022 3023 3058 80 268 3021 3022 3023 3059 81 64 3025 3024 3023 3058 82 64 3025 3024 3023 3059 83 64 3026 3024 3023 3058 84 64 3026 3024 3023 3059 85 203 3013 3014 3015 3047 86 203 3013 3014 3015 3048 87 203 3013 3014 3015 3049 88 203 3015 3014 3013 3043 89 203 3015 3014 3013 3044 90 225 3045 3014 3015 3047 91 225 3045 3014 3015 3048 92 225 3045 3014 3015 3049 93 225 3046 3014 3015 3047 94 225 3046 3014 3015 3048 95 225 3046 3014 3015 3049 96 196 3012 3013 3014 3015 97 203 3012 3013 3014 3045 98 203 3012 3013 3014 3046 99 203 3014 3013 3012 3041 100 203 3014 3013 3012 3042 101 225 3043 3013 3014 3045 102 225 3043 3013 3014 3046 103 225 3044 3013 3014 3045 104 225 3044 3013 3014 3046 105 196 3011 3012 3013 3014 106 203 3011 3012 3013 3043 107 203 3011 3012 3013 3044 108 203 3013 3012 3011 3039 109 203 3013 3012 3011 3040 110 225 3041 3012 3013 3043 111 225 3041 3012 3013 3044 112 225 3042 3012 3013 3043 113 225 3042 3012 3013 3044 114 196 3010 3011 3012 3013 115 203 3010 3011 3012 3041 116 203 3010 3011 3012 3042 117 203 3012 3011 3010 3037 118 203 3012 3011 3010 3038 119 225 3039 3011 3012 3041 120 225 3039 3011 3012 3042 121 225 3040 3011 3012 3041 122 225 3040 3011 3012 3042 123 196 3009 3010 3011 3012 124 203 3009 3010 3011 3039 125 203 3009 3010 3011 3040 126 203 3011 3010 3009 3035 127 203 3011 3010 3009 3036 128 225 3037 3010 3011 3039 129 225 3037 3010 3011 3040 130 225 3038 3010 3011 3039 131 225 3038 3010 3011 3040 132 196 3008 3009 3010 3011 133 203 3008 3009 3010 3037 134 203 3008 3009 3010 3038 135 203 3010 3009 3008 3033 136 203 3010 3009 3008 3034 137 225 3035 3009 3010 3037 138 225 3035 3009 3010 3038 139 225 3036 3009 3010 3037 140 225 3036 3009 3010 3038 Impropers 1 5 3001 3002 3003 3028 2 5 3004 3002 3003 3007 3 5 3001 3002 3028 3003 4 5 3002 3003 3007 3004 5 5 3005 3003 3004 3029 6 5 3002 3003 3004 3007 7 5 3003 3004 3005 3029 8 5 3006 3004 3005 3030 9 5 3003 3004 3029 3005 10 5 3001 3005 3006 3016 11 5 3004 3005 3006 3030 12 5 3004 3005 3030 3006 13 5 3005 3001 3006 3016 14 5 3002 3001 3006 3027 15 5 3003 3001 3002 3028 16 5 3006 3001 3002 3027 17 5 3002 3001 3027 3006 18 5 3001 3006 3016 3005 19 2 3023 3024 3025 3026 20 2 3023 3024 3026 3025 21 2 3025 3023 3024 3026