1[ bondedtypes ] 2; Column 1 : default bondtype 3; Column 2 : default angletype 4; Column 3 : default proper dihedraltype 5; Column 4 : default improper dihedraltype 6; Column 5 : This controls the generation of dihedrals from the bonding. 7; All possible dihedrals are generated automatically. A value of 8; 1 here means that all these are retained. A value of 9; 0 here requires generated dihedrals be removed if 10; * there are any dihedrals on the same central atoms 11; specified in the residue topology, or 12; * there are other identical generated dihedrals 13; sharing the same central atoms, or 14; * there are other generated dihedrals sharing the 15; same central bond that have fewer hydrogen atoms 16; Column 6 : number of neighbors to exclude from non-bonded interactions 17; Column 7 : 1 = generate 1,4 interactions between pairs of hydrogen atoms 18; 0 = do not generate such 19; Column 8 : 1 = remove proper dihedrals if found centered on the same 20; bond as an improper dihedral 21; 0 = do not generate such 22; bonds angles dihedrals impropers all_dihedrals nrexcl HH14 RemoveDih 23 1 1 9 4 1 3 1 0 24 25 26; 5' (XXF), 3' (XXT), non-terminal (XX), and monomer (XXN) nuc's 27 28 29[ RA5 ] 30 [ atoms ] 31 H5T HO 0.42950 1 32 O5' OH -0.62230 2 33 C5' CT 0.05580 3 34 H5'1 H1 0.06790 4 35 H5'2 H1 0.06790 5 36 C4' CT 0.10650 6 37 H4' H1 0.11740 7 38 O4' OS -0.35480 8 39 C1' CT 0.03940 9 40 H1' H2 0.20070 10 41 N9 N* -0.02510 11 42 C8 CK 0.20060 12 43 H8 H5 0.15530 13 44 N7 NB -0.60730 14 45 C5 CB 0.05150 15 46 C6 CA 0.70090 16 47 N6 N2 -0.90190 17 48 H61 H 0.41150 18 49 H62 H 0.41150 19 50 N1 NC -0.76150 20 51 C2 CQ 0.58750 21 52 H2 H5 0.04730 22 53 N3 NC -0.69970 23 54 C4 CB 0.30530 24 55 C3' CT 0.20220 25 56 H3' H1 0.06150 26 57 C2' CT 0.06700 27 58 H2'1 H1 0.09720 28 59 O2' OH -0.61390 29 60 HO'2 HO 0.41860 30 61 O3' OS -0.52460 31 62 [ bonds ] 63 H5T O5' 64 O5' C5' 65 C5' H5'1 66 C5' H5'2 67 C5' C4' 68 C4' H4' 69 C4' O4' 70 C4' C3' 71 O4' C1' 72 C1' H1' 73 C1' N9 74 C1' C2' 75 N9 C8 76 N9 C4 77 C8 H8 78 C8 N7 79 N7 C5 80 C5 C6 81 C5 C4 82 C6 N6 83 C6 N1 84 N6 H61 85 N6 H62 86 N1 C2 87 C2 H2 88 C2 N3 89 N3 C4 90 C3' H3' 91 C3' C2' 92 C3' O3' 93 C2' H2'1 94 C2' O2' 95 O2' HO'2 96 [ impropers ] 97 C4 C8 N9 C1' 98 C6 H61 N6 H62 99 N9 N7 C8 H8 100 N1 N3 C2 H2 101 C5 N6 C6 N1 102 103[ RA ] 104 [ atoms ] 105 P P 1.16620 1 106 O1P O2 -0.77600 2 107 O2P O2 -0.77600 3 108 O5' OS -0.49890 4 109 C5' CT 0.05580 5 110 H5'1 H1 0.06790 6 111 H5'2 H1 0.06790 7 112 C4' CT 0.10650 8 113 H4' H1 0.11740 9 114 O4' OS -0.35480 10 115 C1' CT 0.03940 11 116 H1' H2 0.20070 12 117 N9 N* -0.02510 13 118 C8 CK 0.20060 14 119 H8 H5 0.15530 15 120 N7 NB -0.60730 16 121 C5 CB 0.05150 17 122 C6 CA 0.70090 18 123 N6 N2 -0.90190 19 124 H61 H 0.41150 20 125 H62 H 0.41150 21 126 N1 NC -0.76150 22 127 C2 CQ 0.58750 23 128 H2 H5 0.04730 24 129 N3 NC -0.69970 25 130 C4 CB 0.30530 26 131 C3' CT 0.20220 27 132 H3' H1 0.06150 28 133 C2' CT 0.06700 29 134 H2'1 H1 0.09720 30 135 O2' OH -0.61390 31 136 HO'2 HO 0.41860 32 137 O3' OS -0.52460 33 138 [ bonds ] 139 P O1P 140 P O2P 141 P O5' 142 O5' C5' 143 C5' H5'1 144 C5' H5'2 145 C5' C4' 146 C4' H4' 147 C4' O4' 148 C4' C3' 149 O4' C1' 150 C1' H1' 151 C1' N9 152 C1' C2' 153 N9 C8 154 N9 C4 155 C8 H8 156 C8 N7 157 N7 C5 158 C5 C6 159 C5 C4 160 C6 N6 161 C6 N1 162 N6 H61 163 N6 H62 164 N1 C2 165 C2 H2 166 C2 N3 167 N3 C4 168 C3' H3' 169 C3' C2' 170 C3' O3' 171 C2' H2'1 172 C2' O2' 173 O2' HO'2 174 -O3' P 175 [ impropers ] 176 C4 C8 N9 C1' 177 C6 H61 N6 H62 178 N9 N7 C8 H8 179 N1 N3 C2 H2 180 C5 N6 C6 N1 181 182[ RA3 ] 183 [ atoms ] 184 P P 1.16620 1 185 O1P O2 -0.77600 2 186 O2P O2 -0.77600 3 187 O5' OS -0.49890 4 188 C5' CT 0.05580 5 189 H5'1 H1 0.06790 6 190 H5'2 H1 0.06790 7 191 C4' CT 0.10650 8 192 H4' H1 0.11740 9 193 O4' OS -0.35480 10 194 C1' CT 0.03940 11 195 H1' H2 0.20070 12 196 N9 N* -0.02510 13 197 C8 CK 0.20060 14 198 H8 H5 0.15530 15 199 N7 NB -0.60730 16 200 C5 CB 0.05150 17 201 C6 CA 0.70090 18 202 N6 N2 -0.90190 19 203 H61 H 0.41150 20 204 H62 H 0.41150 21 205 N1 NC -0.76150 22 206 C2 CQ 0.58750 23 207 H2 H5 0.04730 24 208 N3 NC -0.69970 25 209 C4 CB 0.30530 26 210 C3' CT 0.20220 27 211 H3' H1 0.06150 28 212 C2' CT 0.06700 29 213 H2'1 H1 0.09720 30 214 O2' OH -0.61390 31 215 HO'2 HO 0.41860 32 216 O3' OH -0.65410 33 217 H3T HO 0.43760 34 218 [ bonds ] 219 P O1P 220 P O2P 221 P O5' 222 O5' C5' 223 C5' H5'1 224 C5' H5'2 225 C5' C4' 226 C4' H4' 227 C4' O4' 228 C4' C3' 229 O4' C1' 230 C1' H1' 231 C1' N9 232 C1' C2' 233 N9 C8 234 N9 C4 235 C8 H8 236 C8 N7 237 N7 C5 238 C5 C6 239 C5 C4 240 C6 N6 241 C6 N1 242 N6 H61 243 N6 H62 244 N1 C2 245 C2 H2 246 C2 N3 247 N3 C4 248 C3' H3' 249 C3' C2' 250 C3' O3' 251 C2' H2'1 252 C2' O2' 253 O2' HO'2 254 O3' H3T 255 -O3' P 256 [ impropers ] 257 C4 C8 N9 C1' 258 C6 H61 N6 H62 259 N9 N7 C8 H8 260 N1 N3 C2 H2 261 C5 N6 C6 N1 262 263[ RAN ] 264 [ atoms ] 265 H5T HO 0.42950 1 266 O5' OH -0.62230 2 267 C5' CT 0.05580 3 268 H5'1 H1 0.06790 4 269 H5'2 H1 0.06790 5 270 C4' CT 0.10650 6 271 H4' H1 0.11740 7 272 O4' OS -0.35480 8 273 C1' CT 0.03940 9 274 H1' H2 0.20070 10 275 N9 N* -0.02510 11 276 C8 CK 0.20060 12 277 H8 H5 0.15530 13 278 N7 NB -0.60730 14 279 C5 CB 0.05150 15 280 C6 CA 0.70090 16 281 N6 N2 -0.90190 17 282 H61 H 0.41150 18 283 H62 H 0.41150 19 284 N1 NC -0.76150 20 285 C2 CQ 0.58750 21 286 H2 H5 0.04730 22 287 N3 NC -0.69970 23 288 C4 CB 0.30530 24 289 C3' CT 0.20220 25 290 H3' H1 0.06150 26 291 C2' CT 0.06700 27 292 H2'1 H1 0.09720 28 293 O2' OH -0.61390 29 294 HO'2 HO 0.41860 30 295 O3' OH -0.65410 31 296 H3T HO 0.43760 32 297 [ bonds ] 298 H5T O5' 299 O5' C5' 300 C5' H5'1 301 C5' H5'2 302 C5' C4' 303 C4' H4' 304 C4' O4' 305 C4' C3' 306 O4' C1' 307 C1' H1' 308 C1' N9 309 C1' C2' 310 N9 C8 311 N9 C4 312 C8 H8 313 C8 N7 314 N7 C5 315 C5 C6 316 C5 C4 317 C6 N6 318 C6 N1 319 N6 H61 320 N6 H62 321 N1 C2 322 C2 H2 323 C2 N3 324 N3 C4 325 C3' H3' 326 C3' C2' 327 C3' O3' 328 C2' H2'1 329 C2' O2' 330 O2' HO'2 331 O3' H3T 332 [ impropers ] 333 C4 C8 N9 C1' 334 C6 H61 N6 H62 335 N9 N7 C8 H8 336 N1 N3 C2 H2 337 C5 N6 C6 N1 338 339 340[ RU5 ] 341 [ atoms ] 342 H5T HO 0.42950 1 343 O5' OH -0.62230 2 344 C5' CT 0.05580 3 345 H5'1 H1 0.06790 4 346 H5'2 H1 0.06790 5 347 C4' CT 0.10650 6 348 H4' H1 0.11740 7 349 O4' OS -0.35480 8 350 C1' CT 0.06740 9 351 H1' H2 0.18240 10 352 N1 N* 0.04180 11 353 C6 CM -0.11260 12 354 H6 H4 0.21880 13 355 C5 CM -0.36350 14 356 H5 HA 0.18110 15 357 C4 C 0.59520 16 358 O4 O -0.57610 17 359 N3 NA -0.35490 18 360 H3 H 0.31540 19 361 C2 C 0.46870 20 362 O2 O -0.54770 21 363 C3' CT 0.20220 22 364 H3' H1 0.06150 23 365 C2' CT 0.06700 24 366 H2'1 H1 0.09720 25 367 O2' OH -0.61390 26 368 HO'2 HO 0.41860 27 369 O3' OS -0.52460 28 370 [ bonds ] 371 H5T O5' 372 O5' C5' 373 C5' H5'1 374 C5' H5'2 375 C5' C4' 376 C4' H4' 377 C4' O4' 378 C4' C3' 379 O4' C1' 380 C1' H1' 381 C1' N1 382 C1' C2' 383 N1 C6 384 N1 C2 385 C6 H6 386 C6 C5 387 C5 H5 388 C5 C4 389 C4 O4 390 C4 N3 391 N3 H3 392 N3 C2 393 C2 O2 394 C3' H3' 395 C3' C2' 396 C3' O3' 397 C2' H2'1 398 C2' O2' 399 O2' HO'2 400 [ impropers ] 401 C2 C6 N1 C1' 402 C6 C4 C5 H5 403 N1 N3 C2 O2 404 C5 N3 C4 O4 405 C4 C2 N3 H3 406 N1 C5 C6 H6 407 408[ RU ] 409 [ atoms ] 410 P P 1.16620 1 411 O1P O2 -0.77600 2 412 O2P O2 -0.77600 3 413 O5' OS -0.49890 4 414 C5' CT 0.05580 5 415 H5'1 H1 0.06790 6 416 H5'2 H1 0.06790 7 417 C4' CT 0.10650 8 418 H4' H1 0.11740 9 419 O4' OS -0.35480 10 420 C1' CT 0.06740 11 421 H1' H2 0.18240 12 422 N1 N* 0.04180 13 423 C6 CM -0.11260 14 424 H6 H4 0.21880 15 425 C5 CM -0.36350 16 426 H5 HA 0.18110 17 427 C4 C 0.59520 18 428 O4 O -0.57610 19 429 N3 NA -0.35490 20 430 H3 H 0.31540 21 431 C2 C 0.46870 22 432 O2 O -0.54770 23 433 C3' CT 0.20220 24 434 H3' H1 0.06150 25 435 C2' CT 0.06700 26 436 H2'1 H1 0.09720 27 437 O2' OH -0.61390 28 438 HO'2 HO 0.41860 29 439 O3' OS -0.52460 30 440 [ bonds ] 441 P O1P 442 P O2P 443 P O5' 444 O5' C5' 445 C5' H5'1 446 C5' H5'2 447 C5' C4' 448 C4' H4' 449 C4' O4' 450 C4' C3' 451 O4' C1' 452 C1' H1' 453 C1' N1 454 C1' C2' 455 N1 C6 456 N1 C2 457 C6 H6 458 C6 C5 459 C5 H5 460 C5 C4 461 C4 O4 462 C4 N3 463 N3 H3 464 N3 C2 465 C2 O2 466 C3' H3' 467 C3' C2' 468 C3' O3' 469 C2' H2'1 470 C2' O2' 471 O2' HO'2 472 -O3' P 473 [ impropers ] 474 C2 C6 N1 C1' 475 C6 C4 C5 H5 476 N1 N3 C2 O2 477 C5 N3 C4 O4 478 C4 C2 N3 H3 479 N1 C5 C6 H6 480 481[ RU3 ] 482 [ atoms ] 483 P P 1.16620 1 484 O1P O2 -0.77600 2 485 O2P O2 -0.77600 3 486 O5' OS -0.49890 4 487 C5' CT 0.05580 5 488 H5'1 H1 0.06790 6 489 H5'2 H1 0.06790 7 490 C4' CT 0.10650 8 491 H4' H1 0.11740 9 492 O4' OS -0.35480 10 493 C1' CT 0.06740 11 494 H1' H2 0.18240 12 495 N1 N* 0.04180 13 496 C6 CM -0.11260 14 497 H6 H4 0.21880 15 498 C5 CM -0.36350 16 499 H5 HA 0.18110 17 500 C4 C 0.59520 18 501 O4 O -0.57610 19 502 N3 NA -0.35490 20 503 H3 H 0.31540 21 504 C2 C 0.46870 22 505 O2 O -0.54770 23 506 C3' CT 0.20220 24 507 H3' H1 0.06150 25 508 C2' CT 0.06700 26 509 H2'1 H1 0.09720 27 510 O2' OH -0.61390 28 511 HO'2 HO 0.41860 29 512 O3' OH -0.65410 30 513 H3T HO 0.43760 31 514 [ bonds ] 515 P O1P 516 P O2P 517 P O5' 518 O5' C5' 519 C5' H5'1 520 C5' H5'2 521 C5' C4' 522 C4' H4' 523 C4' O4' 524 C4' C3' 525 O4' C1' 526 C1' H1' 527 C1' N1 528 C1' C2' 529 N1 C6 530 N1 C2 531 C6 H6 532 C6 C5 533 C5 H5 534 C5 C4 535 C4 O4 536 C4 N3 537 N3 H3 538 N3 C2 539 C2 O2 540 C3' H3' 541 C3' C2' 542 C3' O3' 543 C2' H2'1 544 C2' O2' 545 O2' HO'2 546 O3' H3T 547 -O3' P 548 [ impropers ] 549 C2 C6 N1 C1' 550 C6 C4 C5 H5 551 N1 N3 C2 O2 552 C5 N3 C4 O4 553 C4 C2 N3 H3 554 N1 C5 C6 H6 555 556[ RUN ] 557 [ atoms ] 558 H5T HO 0.42950 1 559 O5' OH -0.62230 2 560 C5' CT 0.05580 3 561 H5'1 H1 0.06790 4 562 H5'2 H1 0.06790 5 563 C4' CT 0.10650 6 564 H4' H1 0.11740 7 565 O4' OS -0.35480 8 566 C1' CT 0.06740 9 567 H1' H2 0.18240 10 568 N1 N* 0.04180 11 569 C6 CM -0.11260 12 570 H6 H4 0.21880 13 571 C5 CM -0.36350 14 572 H5 HA 0.18110 15 573 C4 C 0.59520 16 574 O4 O -0.57610 17 575 N3 NA -0.35490 18 576 H3 H 0.31540 19 577 C2 C 0.46870 20 578 O2 O -0.54770 21 579 C3' CT 0.20220 22 580 H3' H1 0.06150 23 581 C2' CT 0.06700 24 582 H2'1 H1 0.09720 25 583 O2' OH -0.61390 26 584 HO'2 HO 0.41860 27 585 O3' OH -0.65410 28 586 H3T HO 0.43760 29 587 [ bonds ] 588 H5T O5' 589 O5' C5' 590 C5' H5'1 591 C5' H5'2 592 C5' C4' 593 C4' H4' 594 C4' O4' 595 C4' C3' 596 O4' C1' 597 C1' H1' 598 C1' N1 599 C1' C2' 600 N1 C6 601 N1 C2 602 C6 H6 603 C6 C5 604 C5 H5 605 C5 C4 606 C4 O4 607 C4 N3 608 N3 H3 609 N3 C2 610 C2 O2 611 C3' H3' 612 C3' C2' 613 C3' O3' 614 C2' H2'1 615 C2' O2' 616 O2' HO'2 617 O3' H3T 618 [ impropers ] 619 C2 C6 N1 C1' 620 C6 C4 C5 H5 621 N1 N3 C2 O2 622 C5 N3 C4 O4 623 C4 C2 N3 H3 624 N1 C5 C6 H6 625 626 627[ RG5 ] 628 [ atoms ] 629 H5T HO 0.42950 1 630 O5' OH -0.62230 2 631 C5' CT 0.05580 3 632 H5'1 H1 0.06790 4 633 H5'2 H1 0.06790 5 634 C4' CT 0.10650 6 635 H4' H1 0.11740 7 636 O4' OS -0.35480 8 637 C1' CT 0.01910 9 638 H1' H2 0.20060 10 639 N9 N* 0.04920 11 640 C8 CK 0.13740 12 641 H8 H5 0.16400 13 642 N7 NB -0.57090 14 643 C5 CB 0.17440 15 644 C6 C 0.47700 16 645 O6 O -0.55970 17 646 N1 NA -0.47870 18 647 H1 H 0.34240 19 648 C2 CA 0.76570 20 649 N2 N2 -0.96720 21 650 H21 H 0.43640 22 651 H22 H 0.43640 23 652 N3 NC -0.63230 24 653 C4 CB 0.12220 25 654 C3' CT 0.20220 26 655 H3' H1 0.06150 27 656 C2' CT 0.06700 28 657 H2'1 H1 0.09720 29 658 O2' OH -0.61390 30 659 HO'2 HO 0.41860 31 660 O3' OS -0.52460 32 661 [ bonds ] 662 H5T O5' 663 O5' C5' 664 C5' H5'1 665 C5' H5'2 666 C5' C4' 667 C4' H4' 668 C4' O4' 669 C4' C3' 670 O4' C1' 671 C1' H1' 672 C1' N9 673 C1' C2' 674 N9 C8 675 N9 C4 676 C8 H8 677 C8 N7 678 N7 C5 679 C5 C6 680 C5 C4 681 C6 O6 682 C6 N1 683 N1 H1 684 N1 C2 685 C2 N2 686 C2 N3 687 N2 H21 688 N2 H22 689 N3 C4 690 C3' H3' 691 C3' C2' 692 C3' O3' 693 C2' H2'1 694 C2' O2' 695 O2' HO'2 696 [ impropers ] 697 C4 C8 N9 C1' 698 C5 N1 C6 O6 699 C6 C2 N1 H1 700 C2 H21 N2 H22 701 N9 N7 C8 H8 702 N2 N1 C2 N3 703 704[ RG ] 705 [ atoms ] 706 P P 1.16620 1 707 O1P O2 -0.77600 2 708 O2P O2 -0.77600 3 709 O5' OS -0.49890 4 710 C5' CT 0.05580 5 711 H5'1 H1 0.06790 6 712 H5'2 H1 0.06790 7 713 C4' CT 0.10650 8 714 H4' H1 0.11740 9 715 O4' OS -0.35480 10 716 C1' CT 0.01910 11 717 H1' H2 0.20060 12 718 N9 N* 0.04920 13 719 C8 CK 0.13740 14 720 H8 H5 0.16400 15 721 N7 NB -0.57090 16 722 C5 CB 0.17440 17 723 C6 C 0.47700 18 724 O6 O -0.55970 19 725 N1 NA -0.47870 20 726 H1 H 0.34240 21 727 C2 CA 0.76570 22 728 N2 N2 -0.96720 23 729 H21 H 0.43640 24 730 H22 H 0.43640 25 731 N3 NC -0.63230 26 732 C4 CB 0.12220 27 733 C3' CT 0.20220 28 734 H3' H1 0.06150 29 735 C2' CT 0.06700 30 736 H2'1 H1 0.09720 31 737 O2' OH -0.61390 32 738 HO'2 HO 0.41860 33 739 O3' OS -0.52460 34 740 [ bonds ] 741 P O1P 742 P O2P 743 P O5' 744 O5' C5' 745 C5' H5'1 746 C5' H5'2 747 C5' C4' 748 C4' H4' 749 C4' O4' 750 C4' C3' 751 O4' C1' 752 C1' H1' 753 C1' N9 754 C1' C2' 755 N9 C8 756 N9 C4 757 C8 H8 758 C8 N7 759 N7 C5 760 C5 C6 761 C5 C4 762 C6 O6 763 C6 N1 764 N1 H1 765 N1 C2 766 C2 N2 767 C2 N3 768 N2 H21 769 N2 H22 770 N3 C4 771 C3' H3' 772 C3' C2' 773 C3' O3' 774 C2' H2'1 775 C2' O2' 776 O2' HO'2 777 -O3' P 778 [ impropers ] 779 C4 C8 N9 C1' 780 C5 N1 C6 O6 781 C6 C2 N1 H1 782 C2 H21 N2 H22 783 N9 N7 C8 H8 784 N2 N1 C2 N3 785 786[ RG3 ] 787 [ atoms ] 788 P P 1.16620 1 789 O1P O2 -0.77600 2 790 O2P O2 -0.77600 3 791 O5' OS -0.49890 4 792 C5' CT 0.05580 5 793 H5'1 H1 0.06790 6 794 H5'2 H1 0.06790 7 795 C4' CT 0.10650 8 796 H4' H1 0.11740 9 797 O4' OS -0.35480 10 798 C1' CT 0.01910 11 799 H1' H2 0.20060 12 800 N9 N* 0.04920 13 801 C8 CK 0.13740 14 802 H8 H5 0.16400 15 803 N7 NB -0.57090 16 804 C5 CB 0.17440 17 805 C6 C 0.47700 18 806 O6 O -0.55970 19 807 N1 NA -0.47870 20 808 H1 H 0.34240 21 809 C2 CA 0.76570 22 810 N2 N2 -0.96720 23 811 H21 H 0.43640 24 812 H22 H 0.43640 25 813 N3 NC -0.63230 26 814 C4 CB 0.12220 27 815 C3' CT 0.20220 28 816 H3' H1 0.06150 29 817 C2' CT 0.06700 30 818 H2'1 H1 0.09720 31 819 O2' OH -0.61390 32 820 HO'2 HO 0.41860 33 821 O3' OH -0.65410 34 822 H3T HO 0.43760 35 823 [ bonds ] 824 P O1P 825 P O2P 826 P O5' 827 O5' C5' 828 C5' H5'1 829 C5' H5'2 830 C5' C4' 831 C4' H4' 832 C4' O4' 833 C4' C3' 834 O4' C1' 835 C1' H1' 836 C1' N9 837 C1' C2' 838 N9 C8 839 N9 C4 840 C8 H8 841 C8 N7 842 N7 C5 843 C5 C6 844 C5 C4 845 C6 O6 846 C6 N1 847 N1 H1 848 N1 C2 849 C2 N2 850 C2 N3 851 N2 H21 852 N2 H22 853 N3 C4 854 C3' H3' 855 C3' C2' 856 C3' O3' 857 C2' H2'1 858 C2' O2' 859 O2' HO'2 860 O3' H3T 861 -O3' P 862 [ impropers ] 863 C4 C8 N9 C1' 864 C5 N1 C6 O6 865 C6 C2 N1 H1 866 C2 H21 N2 H22 867 N9 N7 C8 H8 868 N2 N1 C2 N3 869 870[ RGN ] 871 [ atoms ] 872 H5T HO 0.42950 1 873 O5' OH -0.62230 2 874 C5' CT 0.05580 3 875 H5'1 H1 0.06790 4 876 H5'2 H1 0.06790 5 877 C4' CT 0.10650 6 878 H4' H1 0.11740 7 879 O4' OS -0.35480 8 880 C1' CT 0.01910 9 881 H1' H2 0.20060 10 882 N9 N* 0.04920 11 883 C8 CK 0.13740 12 884 H8 H5 0.16400 13 885 N7 NB -0.57090 14 886 C5 CB 0.17440 15 887 C6 C 0.47700 16 888 O6 O -0.55970 17 889 N1 NA -0.47870 18 890 H1 H 0.34240 19 891 C2 CA 0.76570 20 892 N2 N2 -0.96720 21 893 H21 H 0.43640 22 894 H22 H 0.43640 23 895 N3 NC -0.63230 24 896 C4 CB 0.12220 25 897 C3' CT 0.20220 26 898 H3' H1 0.06150 27 899 C2' CT 0.06700 28 900 H2'1 H1 0.09720 29 901 O2' OH -0.61390 30 902 HO'2 HO 0.41860 31 903 O3' OH -0.65410 32 904 H3T HO 0.43760 33 905 [ bonds ] 906 H5T O5' 907 O5' C5' 908 C5' H5'1 909 C5' H5'2 910 C5' C4' 911 C4' H4' 912 C4' O4' 913 C4' C3' 914 O4' C1' 915 C1' H1' 916 C1' N9 917 C1' C2' 918 N9 C8 919 N9 C4 920 C8 H8 921 C8 N7 922 N7 C5 923 C5 C6 924 C5 C4 925 C6 O6 926 C6 N1 927 N1 H1 928 N1 C2 929 C2 N2 930 C2 N3 931 N2 H21 932 N2 H22 933 N3 C4 934 C3' H3' 935 C3' C2' 936 C3' O3' 937 C2' H2'1 938 C2' O2' 939 O2' HO'2 940 O3' H3T 941 [ impropers ] 942 C4 C8 N9 C1' 943 C5 N1 C6 O6 944 C6 C2 N1 H1 945 C2 H21 N2 H22 946 N9 N7 C8 H8 947 N2 N1 C2 N3 948 949 950[ RC5 ] 951 [ atoms ] 952 H5T HO 0.42950 1 953 O5' OH -0.62230 2 954 C5' CT 0.05580 3 955 H5'1 H1 0.06790 4 956 H5'2 H1 0.06790 5 957 C4' CT 0.10650 6 958 H4' H1 0.11740 7 959 O4' OS -0.35480 8 960 C1' CT 0.00660 9 961 H1' H2 0.20290 10 962 N1 N* -0.04840 11 963 C6 CM 0.00530 12 964 H6 H4 0.19580 13 965 C5 CM -0.52150 14 966 H5 HA 0.19280 15 967 C4 CA 0.81850 16 968 N4 N2 -0.95300 17 969 H41 H 0.42340 18 970 H42 H 0.42340 19 971 N3 NC -0.75840 20 972 C2 C 0.75380 21 973 O2 O -0.62520 22 974 C3' CT 0.20220 23 975 H3' H1 0.06150 24 976 C2' CT 0.06700 25 977 H2'1 H1 0.09720 26 978 O2' OH -0.61390 27 979 HO'2 HO 0.41860 28 980 O3' OS -0.52460 29 981 [ bonds ] 982 H5T O5' 983 O5' C5' 984 C5' H5'1 985 C5' H5'2 986 C5' C4' 987 C4' H4' 988 C4' O4' 989 C4' C3' 990 O4' C1' 991 C1' H1' 992 C1' N1 993 C1' C2' 994 N1 C6 995 N1 C2 996 C6 H6 997 C6 C5 998 C5 H5 999 C5 C4 1000 C4 N4 1001 C4 N3 1002 N4 H41 1003 N4 H42 1004 N3 C2 1005 C2 O2 1006 C3' H3' 1007 C3' C2' 1008 C3' O3' 1009 C2' H2'1 1010 C2' O2' 1011 O2' HO'2 1012 [ impropers ] 1013 C2 C6 N1 C1' 1014 N1 N3 C2 O2 1015 C4 H41 N4 H42 1016 N1 C5 C6 H6 1017 C6 C4 C5 H5 1018 C5 N4 C4 N3 1019 1020[ RC ] 1021 [ atoms ] 1022 P P 1.16620 1 1023 O1P O2 -0.77600 2 1024 O2P O2 -0.77600 3 1025 O5' OS -0.49890 4 1026 C5' CT 0.05580 5 1027 H5'1 H1 0.06790 6 1028 H5'2 H1 0.06790 7 1029 C4' CT 0.10650 8 1030 H4' H1 0.11740 9 1031 O4' OS -0.35480 10 1032 C1' CT 0.00660 11 1033 H1' H2 0.20290 12 1034 N1 N* -0.04840 13 1035 C6 CM 0.00530 14 1036 H6 H4 0.19580 15 1037 C5 CM -0.52150 16 1038 H5 HA 0.19280 17 1039 C4 CA 0.81850 18 1040 N4 N2 -0.95300 19 1041 H41 H 0.42340 20 1042 H42 H 0.42340 21 1043 N3 NC -0.75840 22 1044 C2 C 0.75380 23 1045 O2 O -0.62520 24 1046 C3' CT 0.20220 25 1047 H3' H1 0.06150 26 1048 C2' CT 0.06700 27 1049 H2'1 H1 0.09720 28 1050 O2' OH -0.61390 29 1051 HO'2 HO 0.41860 30 1052 O3' OS -0.52460 31 1053 [ bonds ] 1054 P O1P 1055 P O2P 1056 P O5' 1057 O5' C5' 1058 C5' H5'1 1059 C5' H5'2 1060 C5' C4' 1061 C4' H4' 1062 C4' O4' 1063 C4' C3' 1064 O4' C1' 1065 C1' H1' 1066 C1' N1 1067 C1' C2' 1068 N1 C6 1069 N1 C2 1070 C6 H6 1071 C6 C5 1072 C5 H5 1073 C5 C4 1074 C4 N4 1075 C4 N3 1076 N4 H41 1077 N4 H42 1078 N3 C2 1079 C2 O2 1080 C3' H3' 1081 C3' C2' 1082 C3' O3' 1083 C2' H2'1 1084 C2' O2' 1085 O2' HO'2 1086 -O3' P 1087 [ impropers ] 1088 C2 C6 N1 C1' 1089 N1 N3 C2 O2 1090 C4 H41 N4 H42 1091 N1 C5 C6 H6 1092 C6 C4 C5 H5 1093 C5 N4 C4 N3 1094 1095[ RC3 ] 1096 [ atoms ] 1097 P P 1.16620 1 1098 O1P O2 -0.77600 2 1099 O2P O2 -0.77600 3 1100 O5' OS -0.49890 4 1101 C5' CT 0.05580 5 1102 H5'1 H1 0.06790 6 1103 H5'2 H1 0.06790 7 1104 C4' CT 0.10650 8 1105 H4' H1 0.11740 9 1106 O4' OS -0.35480 10 1107 C1' CT 0.00660 11 1108 H1' H2 0.20290 12 1109 N1 N* -0.04840 13 1110 C6 CM 0.00530 14 1111 H6 H4 0.19580 15 1112 C5 CM -0.52150 16 1113 H5 HA 0.19280 17 1114 C4 CA 0.81850 18 1115 N4 N2 -0.95300 19 1116 H41 H 0.42340 20 1117 H42 H 0.42340 21 1118 N3 NC -0.75840 22 1119 C2 C 0.75380 23 1120 O2 O -0.62520 24 1121 C3' CT 0.20220 25 1122 H3' H1 0.06150 26 1123 C2' CT 0.06700 27 1124 H2'1 H1 0.09720 28 1125 O2' OH -0.61390 29 1126 HO'2 HO 0.41860 30 1127 O3' OH -0.65410 31 1128 H3T HO 0.43760 32 1129 [ bonds ] 1130 P O1P 1131 P O2P 1132 P O5' 1133 O5' C5' 1134 C5' H5'1 1135 C5' H5'2 1136 C5' C4' 1137 C4' H4' 1138 C4' O4' 1139 C4' C3' 1140 O4' C1' 1141 C1' H1' 1142 C1' N1 1143 C1' C2' 1144 N1 C6 1145 N1 C2 1146 C6 H6 1147 C6 C5 1148 C5 H5 1149 C5 C4 1150 C4 N4 1151 C4 N3 1152 N4 H41 1153 N4 H42 1154 N3 C2 1155 C2 O2 1156 C3' H3' 1157 C3' C2' 1158 C3' O3' 1159 C2' H2'1 1160 C2' O2' 1161 O2' HO'2 1162 O3' H3T 1163 -O3' P 1164 [ impropers ] 1165 C2 C6 N1 C1' 1166 N1 N3 C2 O2 1167 C4 H41 N4 H42 1168 N1 C5 C6 H6 1169 C6 C4 C5 H5 1170 C5 N4 C4 N3 1171 1172[ RCN ] 1173 [ atoms ] 1174 H5T HO 0.42950 1 1175 O5' OH -0.62230 2 1176 C5' CT 0.05580 3 1177 H5'1 H1 0.06790 4 1178 H5'2 H1 0.06790 5 1179 C4' CT 0.10650 6 1180 H4' H1 0.11740 7 1181 O4' OS -0.35480 8 1182 C1' CT 0.00660 9 1183 H1' H2 0.20290 10 1184 N1 N* -0.04840 11 1185 C6 CM 0.00530 12 1186 H6 H4 0.19580 13 1187 C5 CM -0.52150 14 1188 H5 HA 0.19280 15 1189 C4 CA 0.81850 16 1190 N4 N2 -0.95300 17 1191 H41 H 0.42340 18 1192 H42 H 0.42340 19 1193 N3 NC -0.75840 20 1194 C2 C 0.75380 21 1195 O2 O -0.62520 22 1196 C3' CT 0.20220 23 1197 H3' H1 0.06150 24 1198 C2' CT 0.06700 25 1199 H2'1 H1 0.09720 26 1200 O2' OH -0.61390 27 1201 HO'2 HO 0.41860 28 1202 O3' OH -0.65410 29 1203 H3T HO 0.43760 30 1204 [ bonds ] 1205 H5T O5' 1206 O5' C5' 1207 C5' H5'1 1208 C5' H5'2 1209 C5' C4' 1210 C4' H4' 1211 C4' O4' 1212 C4' C3' 1213 O4' C1' 1214 C1' H1' 1215 C1' N1 1216 C1' C2' 1217 N1 C6 1218 N1 C2 1219 C6 H6 1220 C6 C5 1221 C5 H5 1222 C5 C4 1223 C4 N4 1224 C4 N3 1225 N4 H41 1226 N4 H42 1227 N3 C2 1228 C2 O2 1229 C3' H3' 1230 C3' C2' 1231 C3' O3' 1232 C2' H2'1 1233 C2' O2' 1234 O2' HO'2 1235 O3' H3T 1236 [ impropers ] 1237 C2 C6 N1 C1' 1238 N1 N3 C2 O2 1239 C4 H41 N4 H42 1240 N1 C5 C6 H6 1241 C6 C4 C5 H5 1242 C5 N4 C4 N3 1243 1244 1245