| blob | c237514743953d4095f15e8fec3dfef3c6b8d0c2 |
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
28 [ DA5 ]
29 [ atoms ]
30 H5T HO 0.44220 1
31 O5' OH -0.63180 2
32 C5' CT -0.00690 3
33 H5'1 H1 0.07540 4
34 H5'2 H1 0.07540 5
35 C4' CT 0.16290 6
36 H4' H1 0.11760 7
37 O4' OS -0.36910 8
38 C1' CT 0.04310 9
39 H1' H2 0.18380 10
40 N9 N* -0.02680 11
41 C8 CK 0.16070 12
42 H8 H5 0.18770 13
43 N7 NB -0.61750 14
44 C5 CB 0.07250 15
45 C6 CA 0.68970 16
46 N6 N2 -0.91230 17
47 H61 H 0.41670 18
48 H62 H 0.41670 19
49 N1 NC -0.76240 20
50 C2 CQ 0.57160 21
51 H2 H5 0.05980 22
52 N3 NC -0.74170 23
53 C4 CB 0.38000 24
54 C3' CT 0.07130 25
55 H3' H1 0.09850 26
56 C2' CT -0.08540 27
57 H2'1 HC 0.07180 28
58 H2'2 HC 0.07180 29
59 O3' OS -0.52320 30
60 [ bonds ]
61 H5T O5'
62 O5' C5'
63 C5' H5'1
64 C5' H5'2
65 C5' C4'
66 C4' H4'
67 C4' O4'
68 C4' C3'
69 O4' C1'
70 C1' H1'
71 C1' N9
72 C1' C2'
73 N9 C8
74 N9 C4
75 C8 H8
76 C8 N7
77 N7 C5
78 C5 C6
79 C5 C4
80 C6 N6
81 C6 N1
82 N6 H61
83 N6 H62
84 N1 C2
85 C2 H2
86 C2 N3
87 N3 C4
88 C3' H3'
89 C3' C2'
90 C3' O3'
91 C2' H2'1
92 C2' H2'2
93 [ impropers ]
94 C4 C8 N9 C1'
95 C6 H61 N6 H62
96 N9 N7 C8 H8
97 N1 N3 C2 H2
98 C5 N6 C6 N1
100 [ DA ]
101 [ atoms ]
102 P P 1.16590 1
103 O1P O2 -0.77610 2
104 O2P O2 -0.77610 3
105 O5' OS -0.49540 4
106 C5' CT -0.00690 5
107 H5'1 H1 0.07540 6
108 H5'2 H1 0.07540 7
109 C4' CT 0.16290 8
110 H4' H1 0.11760 9
111 O4' OS -0.36910 10
112 C1' CT 0.04310 11
113 H1' H2 0.18380 12
114 N9 N* -0.02680 13
115 C8 CK 0.16070 14
116 H8 H5 0.18770 15
117 N7 NB -0.61750 16
118 C5 CB 0.07250 17
119 C6 CA 0.68970 18
120 N6 N2 -0.91230 19
121 H61 H 0.41670 20
122 H62 H 0.41670 21
123 N1 NC -0.76240 22
124 C2 CQ 0.57160 23
125 H2 H5 0.05980 24
126 N3 NC -0.74170 25
127 C4 CB 0.38000 26
128 C3' CT 0.07130 27
129 H3' H1 0.09850 28
130 C2' CT -0.08540 29
131 H2'1 HC 0.07180 30
132 H2'2 HC 0.07180 31
133 O3' OS -0.52320 32
134 [ bonds ]
135 P O1P
136 P O2P
137 P O5'
138 O5' C5'
139 C5' H5'1
140 C5' H5'2
141 C5' C4'
142 C4' H4'
143 C4' O4'
144 C4' C3'
145 O4' C1'
146 C1' H1'
147 C1' N9
148 C1' C2'
149 N9 C8
150 N9 C4
151 C8 H8
152 C8 N7
153 N7 C5
154 C5 C6
155 C5 C4
156 C6 N6
157 C6 N1
158 N6 H61
159 N6 H62
160 N1 C2
161 C2 H2
162 C2 N3
163 N3 C4
164 C3' H3'
165 C3' C2'
166 C3' O3'
167 C2' H2'1
168 C2' H2'2
169 -O3' P
170 [ impropers ]
171 C4 C8 N9 C1'
172 C6 H61 N6 H62
173 N9 N7 C8 H8
174 N1 N3 C2 H2
175 C5 N6 C6 N1
177 [ DA3 ]
178 [ atoms ]
179 P P 1.16590 1
180 O1P O2 -0.77610 2
181 O2P O2 -0.77610 3
182 O5' OS -0.49540 4
183 C5' CT -0.00690 5
184 H5'1 H1 0.07540 6
185 H5'2 H1 0.07540 7
186 C4' CT 0.16290 8
187 H4' H1 0.11760 9
188 O4' OS -0.36910 10
189 C1' CT 0.04310 11
190 H1' H2 0.18380 12
191 N9 N* -0.02680 13
192 C8 CK 0.16070 14
193 H8 H5 0.18770 15
194 N7 NB -0.61750 16
195 C5 CB 0.07250 17
196 C6 CA 0.68970 18
197 N6 N2 -0.91230 19
198 H61 H 0.41670 20
199 H62 H 0.41670 21
200 N1 NC -0.76240 22
201 C2 CQ 0.57160 23
202 H2 H5 0.05980 24
203 N3 NC -0.74170 25
204 C4 CB 0.38000 26
205 C3' CT 0.07130 27
206 H3' H1 0.09850 28
207 C2' CT -0.08540 29
208 H2'1 HC 0.07180 30
209 H2'2 HC 0.07180 31
210 O3' OH -0.65490 32
211 H3T HO 0.43960 33
212 [ bonds ]
213 P O1P
214 P O2P
215 P O5'
216 O5' C5'
217 C5' H5'1
218 C5' H5'2
219 C5' C4'
220 C4' H4'
221 C4' O4'
222 C4' C3'
223 O4' C1'
224 C1' H1'
225 C1' N9
226 C1' C2'
227 N9 C8
228 N9 C4
229 C8 H8
230 C8 N7
231 N7 C5
232 C5 C6
233 C5 C4
234 C6 N6
235 C6 N1
236 N6 H61
237 N6 H62
238 N1 C2
239 C2 H2
240 C2 N3
241 N3 C4
242 C3' H3'
243 C3' C2'
244 C3' O3'
245 C2' H2'1
246 C2' H2'2
247 O3' H3T
248 -O3' P
249 [ impropers ]
250 C4 C8 N9 C1'
251 C6 H61 N6 H62
252 N9 N7 C8 H8
253 N1 N3 C2 H2
254 C5 N6 C6 N1
256 [ DAN ]
257 [ atoms ]
258 H5T HO 0.44220 1
259 O5' OH -0.63180 2
260 C5' CT -0.00690 3
261 H5'1 H1 0.07540 4
262 H5'2 H1 0.07540 5
263 C4' CT 0.16290 6
264 H4' H1 0.11760 7
265 O4' OS -0.36910 8
266 C1' CT 0.04310 9
267 H1' H2 0.18380 10
268 N9 N* -0.02680 11
269 C8 CK 0.16070 12
270 H8 H5 0.18770 13
271 N7 NB -0.61750 14
272 C5 CB 0.07250 15
273 C6 CA 0.68970 16
274 N6 N2 -0.91230 17
275 H61 H 0.41670 18
276 H62 H 0.41670 19
277 N1 NC -0.76240 20
278 C2 CQ 0.57160 21
279 H2 H5 0.05980 22
280 N3 NC -0.74170 23
281 C4 CB 0.38000 24
282 C3' CT 0.07130 25
283 H3' H1 0.09850 26
284 C2' CT -0.08540 27
285 H2'1 HC 0.07180 28
286 H2'2 HC 0.07180 29
287 O3' OH -0.65490 30
288 H3T HO 0.43960 31
289 [ bonds ]
290 H5T O5'
291 O5' C5'
292 C5' H5'1
293 C5' H5'2
294 C5' C4'
295 C4' H4'
296 C4' O4'
297 C4' C3'
298 O4' C1'
299 C1' H1'
300 C1' N9
301 C1' C2'
302 N9 C8
303 N9 C4
304 C8 H8
305 C8 N7
306 N7 C5
307 C5 C6
308 C5 C4
309 C6 N6
310 C6 N1
311 N6 H61
312 N6 H62
313 N1 C2
314 C2 H2
315 C2 N3
316 N3 C4
317 C3' H3'
318 C3' C2'
319 C3' O3'
320 C2' H2'1
321 C2' H2'2
322 O3' H3T
323 [ impropers ]
324 C4 C8 N9 C1'
325 C6 H61 N6 H62
326 N9 N7 C8 H8
327 N1 N3 C2 H2
328 C5 N6 C6 N1
332 [ DT5 ]
333 [ atoms ]
334 H5T HO 0.44220 1
335 O5' OH -0.63180 2
336 C5' CT -0.00690 3
337 H5'1 H1 0.07540 4
338 H5'2 H1 0.07540 5
339 C4' CT 0.16290 6
340 H4' H1 0.11760 7
341 O4' OS -0.36910 8
342 C1' CT 0.06800 9
343 H1' H2 0.18040 10
344 N1 N* -0.02390 11
345 C6 CM -0.22090 12
346 H6 H4 0.26070 13
347 C5 CM 0.00250 14
348 C7 CT -0.22690 15
349 H71 HC 0.07700 16
350 H72 HC 0.07700 17
351 H73 HC 0.07700 18
352 C4 C 0.51940 19
353 O4 O -0.55630 20
354 N3 NA -0.43400 21
355 H3 H 0.34200 22
356 C2 C 0.56770 23
357 O2 O -0.58810 24
358 C3' CT 0.07130 25
359 H3' H1 0.09850 26
360 C2' CT -0.08540 27
361 H2'1 HC 0.07180 28
362 H2'2 HC 0.07180 29
363 O3' OS -0.52320 30
364 [ bonds ]
365 H5T O5'
366 O5' C5'
367 C5' H5'1
368 C5' H5'2
369 C5' C4'
370 C4' H4'
371 C4' O4'
372 C4' C3'
373 O4' C1'
374 C1' H1'
375 C1' N1
376 C1' C2'
377 N1 C6
378 N1 C2
379 C6 H6
380 C6 C5
381 C5 C7
382 C5 C4
383 C7 H71
384 C7 H72
385 C7 H73
386 C4 O4
387 C4 N3
388 N3 H3
389 N3 C2
390 C2 O2
391 C3' H3'
392 C3' C2'
393 C3' O3'
394 C2' H2'1
395 C2' H2'2
396 [ impropers ]
397 C2 C6 N1 C1'
398 C4 C6 C5 C7
399 N1 N3 C2 O2
400 C5 N3 C4 O4
401 C4 C2 N3 H3
402 N1 C5 C6 H6
404 [ DT ]
405 [ atoms ]
406 P P 1.16590 1
407 O1P O2 -0.77610 2
408 O2P O2 -0.77610 3
409 O5' OS -0.49540 4
410 C5' CT -0.00690 5
411 H5'1 H1 0.07540 6
412 H5'2 H1 0.07540 7
413 C4' CT 0.16290 8
414 H4' H1 0.11760 9
415 O4' OS -0.36910 10
416 C1' CT 0.06800 11
417 H1' H2 0.18040 12
418 N1 N* -0.02390 13
419 C6 CM -0.22090 14
420 H6 H4 0.26070 15
421 C5 CM 0.00250 16
422 C7 CT -0.22690 17
423 H71 HC 0.07700 18
424 H72 HC 0.07700 19
425 H73 HC 0.07700 20
426 C4 C 0.51940 21
427 O4 O -0.55630 22
428 N3 NA -0.43400 23
429 H3 H 0.34200 24
430 C2 C 0.56770 25
431 O2 O -0.58810 26
432 C3' CT 0.07130 27
433 H3' H1 0.09850 28
434 C2' CT -0.08540 29
435 H2'1 HC 0.07180 30
436 H2'2 HC 0.07180 31
437 O3' OS -0.52320 32
438 [ bonds ]
439 P O1P
440 P O2P
441 P O5'
442 O5' C5'
443 C5' H5'1
444 C5' H5'2
445 C5' C4'
446 C4' H4'
447 C4' O4'
448 C4' C3'
449 O4' C1'
450 C1' H1'
451 C1' N1
452 C1' C2'
453 N1 C6
454 N1 C2
455 C6 H6
456 C6 C5
457 C5 C7
458 C5 C4
459 C7 H71
460 C7 H72
461 C7 H73
462 C4 O4
463 C4 N3
464 N3 H3
465 N3 C2
466 C2 O2
467 C3' H3'
468 C3' C2'
469 C3' O3'
470 C2' H2'1
471 C2' H2'2
472 -O3' P
473 [ impropers ]
474 C2 C6 N1 C1'
475 C4 C6 C5 C7
476 N1 N3 C2 O2
477 C5 N3 C4 O4
478 C4 C2 N3 H3
479 N1 C5 C6 H6
481 [ DT3 ]
482 [ atoms ]
483 P P 1.16590 1
484 O1P O2 -0.77610 2
485 O2P O2 -0.77610 3
486 O5' OS -0.49540 4
487 C5' CT -0.00690 5
488 H5'1 H1 0.07540 6
489 H5'2 H1 0.07540 7
490 C4' CT 0.16290 8
491 H4' H1 0.11760 9
492 O4' OS -0.36910 10
493 C1' CT 0.06800 11
494 H1' H2 0.18040 12
495 N1 N* -0.02390 13
496 C6 CM -0.22090 14
497 H6 H4 0.26070 15
498 C5 CM 0.00250 16
499 C7 CT -0.22690 17
500 H71 HC 0.07700 18
501 H72 HC 0.07700 19
502 H73 HC 0.07700 20
503 C4 C 0.51940 21
504 O4 O -0.55630 22
505 N3 NA -0.43400 23
506 H3 H 0.34200 24
507 C2 C 0.56770 25
508 O2 O -0.58810 26
509 C3' CT 0.07130 27
510 H3' H1 0.09850 28
511 C2' CT -0.08540 29
512 H2'1 HC 0.07180 30
513 H2'2 HC 0.07180 31
514 O3' OH -0.65490 32
515 H3T HO 0.43960 33
516 [ bonds ]
517 P O1P
518 P O2P
519 P O5'
520 O5' C5'
521 C5' H5'1
522 C5' H5'2
523 C5' C4'
524 C4' H4'
525 C4' O4'
526 C4' C3'
527 O4' C1'
528 C1' H1'
529 C1' N1
530 C1' C2'
531 N1 C6
532 N1 C2
533 C6 H6
534 C6 C5
535 C5 C7
536 C5 C4
537 C7 H71
538 C7 H72
539 C7 H73
540 C4 O4
541 C4 N3
542 N3 H3
543 N3 C2
544 C2 O2
545 C3' H3'
546 C3' C2'
547 C3' O3'
548 C2' H2'1
549 C2' H2'2
550 O3' H3T
551 -O3' P
552 [ impropers ]
553 C2 C6 N1 C1'
554 C4 C6 C5 C7
555 N1 N3 C2 O2
556 C5 N3 C4 O4
557 C4 C2 N3 H3
558 N1 C5 C6 H6
560 [ DTN ]
561 [ atoms ]
562 H5T HO 0.44220 1
563 O5' OH -0.63180 2
564 C5' CT -0.00690 3
565 H5'1 H1 0.07540 4
566 H5'2 H1 0.07540 5
567 C4' CT 0.16290 6
568 H4' H1 0.11760 7
569 O4' OS -0.36910 8
570 C1' CT 0.06800 9
571 H1' H2 0.18040 10
572 N1 N* -0.02390 11
573 C6 CM -0.22090 12
574 H6 H4 0.26070 13
575 C5 CM 0.00250 14
576 C7 CT -0.22690 15
577 H71 HC 0.07700 16
578 H72 HC 0.07700 17
579 H73 HC 0.07700 18
580 C4 C 0.51940 19
581 O4 O -0.55630 20
582 N3 NA -0.43400 21
583 H3 H 0.34200 22
584 C2 C 0.56770 23
585 O2 O -0.58810 24
586 C3' CT 0.07130 25
587 H3' H1 0.09850 26
588 C2' CT -0.08540 27
589 H2'1 HC 0.07180 28
590 H2'2 HC 0.07180 29
591 O3' OH -0.65490 30
592 H3T HO 0.43960 31
593 [ bonds ]
594 H5T O5'
595 O5' C5'
596 C5' H5'1
597 C5' H5'2
598 C5' C4'
599 C4' H4'
600 C4' O4'
601 C4' C3'
602 O4' C1'
603 C1' H1'
604 C1' N1
605 C1' C2'
606 N1 C6
607 N1 C2
608 C6 H6
609 C6 C5
610 C5 C7
611 C5 C4
612 C7 H71
613 C7 H72
614 C7 H73
615 C4 O4
616 C4 N3
617 N3 H3
618 N3 C2
619 C2 O2
620 C3' H3'
621 C3' C2'
622 C3' O3'
623 C2' H2'1
624 C2' H2'2
625 O3' H3T
626 [ impropers ]
627 C2 C6 N1 C1'
628 C4 C6 C5 C7
629 N1 N3 C2 O2
630 C5 N3 C4 O4
631 C4 C2 N3 H3
632 N1 C5 C6 H6
636 [ DG5 ]
637 [ atoms ]
638 H5T HO 0.44220 1
639 O5' OH -0.63180 2
640 C5' CT -0.00690 3
641 H5'1 H1 0.07540 4
642 H5'2 H1 0.07540 5
643 C4' CT 0.16290 6
644 H4' H1 0.11760 7
645 O4' OS -0.36910 8
646 C1' CT 0.03580 9
647 H1' H2 0.17460 10
648 N9 N* 0.05770 11
649 C8 CK 0.07360 12
650 H8 H5 0.19970 13
651 N7 NB -0.57250 14
652 C5 CB 0.19910 15
653 C6 C 0.49180 16
654 O6 O -0.56990 17
655 N1 NA -0.50530 18
656 H1 H 0.35200 19
657 C2 CA 0.74320 20
658 N2 N2 -0.92300 21
659 H21 H 0.42350 22
660 H22 H 0.42350 23
661 N3 NC -0.66360 24
662 C4 CB 0.18140 25
663 C3' CT 0.07130 26
664 H3' H1 0.09850 27
665 C2' CT -0.08540 28
666 H2'1 HC 0.07180 29
667 H2'2 HC 0.07180 30
668 O3' OS -0.52320 31
669 [ bonds ]
670 H5T O5'
671 O5' C5'
672 C5' H5'1
673 C5' H5'2
674 C5' C4'
675 C4' H4'
676 C4' O4'
677 C4' C3'
678 O4' C1'
679 C1' H1'
680 C1' N9
681 C1' C2'
682 N9 C8
683 N9 C4
684 C8 H8
685 C8 N7
686 N7 C5
687 C5 C6
688 C5 C4
689 C6 O6
690 C6 N1
691 N1 H1
692 N1 C2
693 C2 N2
694 C2 N3
695 N2 H21
696 N2 H22
697 N3 C4
698 C3' H3'
699 C3' C2'
700 C3' O3'
701 C2' H2'1
702 C2' H2'2
703 [ impropers ]
704 C4 C8 N9 C1'
705 C5 N1 C6 O6
706 C6 C2 N1 H1
707 C2 H21 N2 H22
708 N9 N7 C8 H8
709 N2 N1 C2 N3
711 [ DG ]
712 [ atoms ]
713 P P 1.16590 1
714 O1P O2 -0.77610 2
715 O2P O2 -0.77610 3
716 O5' OS -0.49540 4
717 C5' CT -0.00690 5
718 H5'1 H1 0.07540 6
719 H5'2 H1 0.07540 7
720 C4' CT 0.16290 8
721 H4' H1 0.11760 9
722 O4' OS -0.36910 10
723 C1' CT 0.03580 11
724 H1' H2 0.17460 12
725 N9 N* 0.05770 13
726 C8 CK 0.07360 14
727 H8 H5 0.19970 15
728 N7 NB -0.57250 16
729 C5 CB 0.19910 17
730 C6 C 0.49180 18
731 O6 O -0.56990 19
732 N1 NA -0.50530 20
733 H1 H 0.35200 21
734 C2 CA 0.74320 22
735 N2 N2 -0.92300 23
736 H21 H 0.42350 24
737 H22 H 0.42350 25
738 N3 NC -0.66360 26
739 C4 CB 0.18140 27
740 C3' CT 0.07130 28
741 H3' H1 0.09850 29
742 C2' CT -0.08540 30
743 H2'1 HC 0.07180 31
744 H2'2 HC 0.07180 32
745 O3' OS -0.52320 33
746 [ bonds ]
747 P O1P
748 P O2P
749 P O5'
750 O5' C5'
751 C5' H5'1
752 C5' H5'2
753 C5' C4'
754 C4' H4'
755 C4' O4'
756 C4' C3'
757 O4' C1'
758 C1' H1'
759 C1' N9
760 C1' C2'
761 N9 C8
762 N9 C4
763 C8 H8
764 C8 N7
765 N7 C5
766 C5 C6
767 C5 C4
768 C6 O6
769 C6 N1
770 N1 H1
771 N1 C2
772 C2 N2
773 C2 N3
774 N2 H21
775 N2 H22
776 N3 C4
777 C3' H3'
778 C3' C2'
779 C3' O3'
780 C2' H2'1
781 C2' H2'2
782 -O3' P
783 [ impropers ]
784 C4 C8 N9 C1'
785 C5 N1 C6 O6
786 C6 C2 N1 H1
787 C2 H21 N2 H22
788 N9 N7 C8 H8
789 N2 N1 C2 N3
791 [ DG3 ]
792 [ atoms ]
793 P P 1.16590 1
794 O1P O2 -0.77610 2
795 O2P O2 -0.77610 3
796 O5' OS -0.49540 4
797 C5' CT -0.00690 5
798 H5'1 H1 0.07540 6
799 H5'2 H1 0.07540 7
800 C4' CT 0.16290 8
801 H4' H1 0.11760 9
802 O4' OS -0.36910 10
803 C1' CT 0.03580 11
804 H1' H2 0.17460 12
805 N9 N* 0.05770 13
806 C8 CK 0.07360 14
807 H8 H5 0.19970 15
808 N7 NB -0.57250 16
809 C5 CB 0.19910 17
810 C6 C 0.49180 18
811 O6 O -0.56990 19
812 N1 NA -0.50530 20
813 H1 H 0.35200 21
814 C2 CA 0.74320 22
815 N2 N2 -0.92300 23
816 H21 H 0.42350 24
817 H22 H 0.42350 25
818 N3 NC -0.66360 26
819 C4 CB 0.18140 27
820 C3' CT 0.07130 28
821 H3' H1 0.09850 29
822 C2' CT -0.08540 30
823 H2'1 HC 0.07180 31
824 H2'2 HC 0.07180 32
825 O3' OH -0.65490 33
826 H3T HO 0.43960 34
827 [ bonds ]
828 P O1P
829 P O2P
830 P O5'
831 O5' C5'
832 C5' H5'1
833 C5' H5'2
834 C5' C4'
835 C4' H4'
836 C4' O4'
837 C4' C3'
838 O4' C1'
839 C1' H1'
840 C1' N9
841 C1' C2'
842 N9 C8
843 N9 C4
844 C8 H8
845 C8 N7
846 N7 C5
847 C5 C6
848 C5 C4
849 C6 O6
850 C6 N1
851 N1 H1
852 N1 C2
853 C2 N2
854 C2 N3
855 N2 H21
856 N2 H22
857 N3 C4
858 C3' H3'
859 C3' C2'
860 C3' O3'
861 C2' H2'1
862 C2' H2'2
863 O3' H3T
864 -O3' P
865 [ impropers ]
866 C4 C8 N9 C1'
867 C5 N1 C6 O6
868 C6 C2 N1 H1
869 C2 H21 N2 H22
870 N9 N7 C8 H8
871 N2 N1 C2 N3
873 [ DGN ]
874 [ atoms ]
875 H5T HO 0.44220 1
876 O5' OH -0.63180 2
877 C5' CT -0.00690 3
878 H5'1 H1 0.07540 4
879 H5'2 H1 0.07540 5
880 C4' CT 0.16290 6
881 H4' H1 0.11760 7
882 O4' OS -0.36910 8
883 C1' CT 0.03580 9
884 H1' H2 0.17460 10
885 N9 N* 0.05770 11
886 C8 CK 0.07360 12
887 H8 H5 0.19970 13
888 N7 NB -0.57250 14
889 C5 CB 0.19910 15
890 C6 C 0.49180 16
891 O6 O -0.56990 17
892 N1 NA -0.50530 18
893 H1 H 0.35200 19
894 C2 CA 0.74320 20
895 N2 N2 -0.92300 21
896 H21 H 0.42350 22
897 H22 H 0.42350 23
898 N3 NC -0.66360 24
899 C4 CB 0.18140 25
900 C3' CT 0.07130 26
901 H3' H1 0.09850 27
902 C2' CT -0.08540 28
903 H2'1 HC 0.07180 29
904 H2'2 HC 0.07180 30
905 O3' OH -0.65490 31
906 H3T HO 0.43960 32
907 [ bonds ]
908 H5T O5'
909 O5' C5'
910 C5' H5'1
911 C5' H5'2
912 C5' C4'
913 C4' H4'
914 C4' O4'
915 C4' C3'
916 O4' C1'
917 C1' H1'
918 C1' N9
919 C1' C2'
920 N9 C8
921 N9 C4
922 C8 H8
923 C8 N7
924 N7 C5
925 C5 C6
926 C5 C4
927 C6 O6
928 C6 N1
929 N1 H1
930 N1 C2
931 C2 N2
932 C2 N3
933 N2 H21
934 N2 H22
935 N3 C4
936 C3' H3'
937 C3' C2'
938 C3' O3'
939 C2' H2'1
940 C2' H2'2
941 O3' H3T
942 [ impropers ]
943 C4 C8 N9 C1'
944 C5 N1 C6 O6
945 C6 C2 N1 H1
946 C2 H21 N2 H22
947 N9 N7 C8 H8
948 N2 N1 C2 N3
950 [ DC5 ]
951 [ atoms ]
952 H5T HO 0.44220 1
953 O5' OH -0.63180 2
954 C5' CT -0.00690 3
955 H5'1 H1 0.07540 4
956 H5'2 H1 0.07540 5
957 C4' CT 0.16290 6
958 H4' H1 0.11760 7
959 O4' OS -0.36910 8
960 C1' CT -0.01160 9
961 H1' H2 0.19630 10
962 N1 N* -0.03390 11
963 C6 CM -0.01830 12
964 H6 H4 0.22930 13
965 C5 CM -0.52220 14
966 H5 HA 0.18630 15
967 C4 CA 0.84390 16
968 N4 N2 -0.97730 17
969 H41 H 0.43140 18
970 H42 H 0.43140 19
971 N3 NC -0.77480 20
972 C2 C 0.79590 21
973 O2 O -0.65480 22
974 C3' CT 0.07130 23
975 H3' H1 0.09850 24
976 C2' CT -0.08540 25
977 H2'1 HC 0.07180 26
978 H2'2 HC 0.07180 27
979 O3' OS -0.52320 28
980 [ bonds ]
981 H5T O5'
982 O5' C5'
983 C5' H5'1
984 C5' H5'2
985 C5' C4'
986 C4' H4'
987 C4' O4'
988 C4' C3'
989 O4' C1'
990 C1' H1'
991 C1' N1
992 C1' C2'
993 N1 C6
994 N1 C2
995 C6 H6
996 C6 C5
997 C5 H5
998 C5 C4
999 C4 N4
1000 C4 N3
1001 N4 H41
1002 N4 H42
1003 N3 C2
1004 C2 O2
1005 C3' H3'
1006 C3' C2'
1007 C3' O3'
1008 C2' H2'1
1009 C2' H2'2
1010 [ impropers ]
1011 C1' N1 C6 C2
1012 N1 N3 C2 O2
1013 C4 H41 N4 H42
1014 N1 C5 C6 H6
1015 C6 C4 C5 H5
1016 C5 N4 C4 N3
1018 [ DC ]
1019 [ atoms ]
1020 P P 1.16590 1
1021 O1P O2 -0.77610 2
1022 O2P O2 -0.77610 3
1023 O5' OS -0.49540 4
1024 C5' CT -0.00690 5
1025 H5'1 H1 0.07540 6
1026 H5'2 H1 0.07540 7
1027 C4' CT 0.16290 8
1028 H4' H1 0.11760 9
1029 O4' OS -0.36910 10
1030 C1' CT -0.01160 11
1031 H1' H2 0.19630 12
1032 N1 N* -0.03390 13
1033 C6 CM -0.01830 14
1034 H6 H4 0.22930 15
1035 C5 CM -0.52220 16
1036 H5 HA 0.18630 17
1037 C4 CA 0.84390 18
1038 N4 N2 -0.97730 19
1039 H41 H 0.43140 20
1040 H42 H 0.43140 21
1041 N3 NC -0.77480 22
1042 C2 C 0.79590 23
1043 O2 O -0.65480 24
1044 C3' CT 0.07130 25
1045 H3' H1 0.09850 26
1046 C2' CT -0.08540 27
1047 H2'1 HC 0.07180 28
1048 H2'2 HC 0.07180 29
1049 O3' OS -0.52320 30
1050 [ bonds ]
1051 P O1P
1052 P O2P
1053 P O5'
1054 O5' C5'
1055 C5' H5'1
1056 C5' H5'2
1057 C5' C4'
1058 C4' H4'
1059 C4' O4'
1060 C4' C3'
1061 O4' C1'
1062 C1' H1'
1063 C1' N1
1064 C1' C2'
1065 N1 C6
1066 N1 C2
1067 C6 H6
1068 C6 C5
1069 C5 H5
1070 C5 C4
1071 C4 N4
1072 C4 N3
1073 N4 H41
1074 N4 H42
1075 N3 C2
1076 C2 O2
1077 C3' H3'
1078 C3' C2'
1079 C3' O3'
1080 C2' H2'1
1081 C2' H2'2
1082 -O3' P
1083 [ impropers ]
1084 C2 C6 N1 C1'
1085 N1 N3 C2 O2
1086 C4 H41 N4 H42
1087 N1 C5 C6 H6
1088 C6 C4 C5 H5
1089 C5 N4 C4 N3
1091 [ DC3 ]
1092 [ atoms ]
1093 P P 1.16590 1
1094 O1P O2 -0.77610 2
1095 O2P O2 -0.77610 3
1096 O5' OS -0.49540 4
1097 C5' CT -0.00690 5
1098 H5'1 H1 0.07540 6
1099 H5'2 H1 0.07540 7
1100 C4' CT 0.16290 8
1101 H4' H1 0.11760 9
1102 O4' OS -0.36910 10
1103 C1' CT -0.01160 11
1104 H1' H2 0.19630 12
1105 N1 N* -0.03390 13
1106 C6 CM -0.01830 14
1107 H6 H4 0.22930 15
1108 C5 CM -0.52220 16
1109 H5 HA 0.18630 17
1110 C4 CA 0.84390 18
1111 N4 N2 -0.97730 19
1112 H41 H 0.43140 20
1113 H42 H 0.43140 21
1114 N3 NC -0.77480 22
1115 C2 C 0.79590 23
1116 O2 O -0.65480 24
1117 C3' CT 0.07130 25
1118 H3' H1 0.09850 26
1119 C2' CT -0.08540 27
1120 H2'1 HC 0.07180 28
1121 H2'2 HC 0.07180 29
1122 O3' OH -0.65490 30
1123 H3T HO 0.43960 31
1124 [ bonds ]
1125 P O1P
1126 P O2P
1127 P O5'
1128 O5' C5'
1129 C5' H5'1
1130 C5' H5'2
1131 C5' C4'
1132 C4' H4'
1133 C4' O4'
1134 C4' C3'
1135 O4' C1'
1136 C1' H1'
1137 C1' N1
1138 C1' C2'
1139 N1 C6
1140 N1 C2
1141 C6 H6
1142 C6 C5
1143 C5 H5
1144 C5 C4
1145 C4 N4
1146 C4 N3
1147 N4 H41
1148 N4 H42
1149 N3 C2
1150 C2 O2
1151 C3' H3'
1152 C3' C2'
1153 C3' O3'
1154 C2' H2'1
1155 C2' H2'2
1156 O3' H3T
1157 -O3' P
1158 [ impropers ]
1159 C2 C6 N1 C1'
1160 N1 N3 C2 O2
1161 C4 H41 N4 H42
1162 N1 C5 C6 H6
1163 C6 C4 C5 H5
1164 C5 N4 C4 N3
1166 [ DCN ]
1167 [ atoms ]
1168 H5T HO 0.44220 1
1169 O5' OH -0.63180 2
1170 C5' CT -0.00690 3
1171 H5'1 H1 0.07540 4
1172 H5'2 H1 0.07540 5
1173 C4' CT 0.16290 6
1174 H4' H1 0.11760 7
1175 O4' OS -0.36910 8
1176 C1' CT -0.01160 9
1177 H1' H2 0.19630 10
1178 N1 N* -0.03390 11
1179 C6 CM -0.01830 12
1180 H6 H4 0.22930 13
1181 C5 CM -0.52220 14
1182 H5 HA 0.18630 15
1183 C4 CA 0.84390 16
1184 N4 N2 -0.97730 17
1185 H41 H 0.43140 18
1186 H42 H 0.43140 19
1187 N3 NC -0.77480 20
1188 C2 C 0.79590 21
1189 O2 O -0.65480 22
1190 C3' CT 0.07130 23
1191 H3' H1 0.09850 24
1192 C2' CT -0.08540 25
1193 H2'1 HC 0.07180 26
1194 H2'2 HC 0.07180 27
1195 O3' OH -0.65490 28
1196 H3T HO 0.43960 29
1197 [ bonds ]
1198 H5T O5'
1199 O5' C5'
1200 C5' H5'1
1201 C5' H5'2
1202 C5' C4'
1203 C4' H4'
1204 C4' O4'
1205 C4' C3'
1206 O4' C1'
1207 C1' H1'
1208 C1' N1
1209 C1' C2'
1210 N1 C6
1211 N1 C2
1212 C6 H6
1213 C6 C5
1214 C5 H5
1215 C5 C4
1216 C4 N4
1217 C4 N3
1218 N4 H41
1219 N4 H42
1220 N3 C2
1221 C2 O2
1222 C3' H3'
1223 C3' C2'
1224 C3' O3'
1225 C2' H2'1
1226 C2' H2'2
1227 O3' H3T
1228 [ impropers ]
1229 C2 C6 N1 C1'
1230 N1 N3 C2 O2
1231 C4 H41 N4 H42
1232 N1 C5 C6 H6
1233 C6 C4 C5 H5
1234 N3 C4 N4 C5