| blob | 63b65a00b09810320ed56a9eb8413cfccc02ac6b |
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
26 ; 5' (XXF), 3' (XXT), non-terminal (XX), and monomer (XXN) nuc's
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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