-
Notifications
You must be signed in to change notification settings - Fork 0
/
new_dsDNA60.psf
13545 lines (13531 loc) · 896 KB
/
new_dsDNA60.psf
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
501
502
503
504
505
506
507
508
509
510
511
512
513
514
515
516
517
518
519
520
521
522
523
524
525
526
527
528
529
530
531
532
533
534
535
536
537
538
539
540
541
542
543
544
545
546
547
548
549
550
551
552
553
554
555
556
557
558
559
560
561
562
563
564
565
566
567
568
569
570
571
572
573
574
575
576
577
578
579
580
581
582
583
584
585
586
587
588
589
590
591
592
593
594
595
596
597
598
599
600
601
602
603
604
605
606
607
608
609
610
611
612
613
614
615
616
617
618
619
620
621
622
623
624
625
626
627
628
629
630
631
632
633
634
635
636
637
638
639
640
641
642
643
644
645
646
647
648
649
650
651
652
653
654
655
656
657
658
659
660
661
662
663
664
665
666
667
668
669
670
671
672
673
674
675
676
677
678
679
680
681
682
683
684
685
686
687
688
689
690
691
692
693
694
695
696
697
698
699
700
701
702
703
704
705
706
707
708
709
710
711
712
713
714
715
716
717
718
719
720
721
722
723
724
725
726
727
728
729
730
731
732
733
734
735
736
737
738
739
740
741
742
743
744
745
746
747
748
749
750
751
752
753
754
755
756
757
758
759
760
761
762
763
764
765
766
767
768
769
770
771
772
773
774
775
776
777
778
779
780
781
782
783
784
785
786
787
788
789
790
791
792
793
794
795
796
797
798
799
800
801
802
803
804
805
806
807
808
809
810
811
812
813
814
815
816
817
818
819
820
821
822
823
824
825
826
827
828
829
830
831
832
833
834
835
836
837
838
839
840
841
842
843
844
845
846
847
848
849
850
851
852
853
854
855
856
857
858
859
860
861
862
863
864
865
866
867
868
869
870
871
872
873
874
875
876
877
878
879
880
881
882
883
884
885
886
887
888
889
890
891
892
893
894
895
896
897
898
899
900
901
902
903
904
905
906
907
908
909
910
911
912
913
914
915
916
917
918
919
920
921
922
923
924
925
926
927
928
929
930
931
932
933
934
935
936
937
938
939
940
941
942
943
944
945
946
947
948
949
950
951
952
953
954
955
956
957
958
959
960
961
962
963
964
965
966
967
968
969
970
971
972
973
974
975
976
977
978
979
980
981
982
983
984
985
986
987
988
989
990
991
992
993
994
995
996
997
998
999
1000
PSF
129 !NTITLE
REMARKS original generated structure x-plor psf file
REMARKS 124 patches were applied to the molecule.
REMARKS topology /usr/local/bin/toppar/top_all27_prot_na.inp
REMARKS segment DNA1 { first 5TER; last 3TER; auto angles dihedrals }
REMARKS segment DNA2 { first 5TER; last 3TER; auto angles dihedrals }
REMARKS patch 5TER DNA1:1
REMARKS patch 3TER DNA1:60
REMARKS patch DEO2 DNA1:1
REMARKS patch DEO1 DNA1:2
REMARKS patch DEO2 DNA1:3
REMARKS patch DEO1 DNA1:4
REMARKS patch DEO2 DNA1:5
REMARKS patch DEO1 DNA1:6
REMARKS patch DEO2 DNA1:7
REMARKS patch DEO1 DNA1:8
REMARKS patch DEO2 DNA1:9
REMARKS patch DEO1 DNA1:10
REMARKS patch DEO1 DNA1:11
REMARKS patch DEO1 DNA1:12
REMARKS patch DEO1 DNA1:13
REMARKS patch DEO2 DNA1:14
REMARKS patch DEO1 DNA1:15
REMARKS patch DEO2 DNA1:16
REMARKS patch DEO1 DNA1:17
REMARKS patch DEO2 DNA1:18
REMARKS patch DEO1 DNA1:19
REMARKS patch DEO2 DNA1:20
REMARKS patch DEO1 DNA1:21
REMARKS patch DEO2 DNA1:22
REMARKS patch DEO1 DNA1:23
REMARKS patch DEO1 DNA1:24
REMARKS patch DEO2 DNA1:25
REMARKS patch DEO2 DNA1:26
REMARKS patch DEO2 DNA1:27
REMARKS patch DEO2 DNA1:28
REMARKS patch DEO2 DNA1:29
REMARKS patch DEO1 DNA1:30
REMARKS patch DEO2 DNA1:31
REMARKS patch DEO1 DNA1:32
REMARKS patch DEO1 DNA1:33
REMARKS patch DEO1 DNA1:34
REMARKS patch DEO2 DNA1:35
REMARKS patch DEO1 DNA1:36
REMARKS patch DEO2 DNA1:37
REMARKS patch DEO1 DNA1:38
REMARKS patch DEO2 DNA1:39
REMARKS patch DEO2 DNA1:40
REMARKS patch DEO1 DNA1:41
REMARKS patch DEO1 DNA1:42
REMARKS patch DEO2 DNA1:43
REMARKS patch DEO1 DNA1:44
REMARKS patch DEO1 DNA1:45
REMARKS patch DEO1 DNA1:46
REMARKS patch DEO1 DNA1:47
REMARKS patch DEO2 DNA1:48
REMARKS patch DEO2 DNA1:49
REMARKS patch DEO2 DNA1:50
REMARKS patch DEO2 DNA1:51
REMARKS patch DEO2 DNA1:52
REMARKS patch DEO2 DNA1:53
REMARKS patch DEO1 DNA1:54
REMARKS patch DEO1 DNA1:55
REMARKS patch DEO1 DNA1:56
REMARKS patch DEO1 DNA1:57
REMARKS patch DEO2 DNA1:58
REMARKS patch DEO2 DNA1:59
REMARKS patch DEO1 DNA1:60
REMARKS patch 5TER DNA2:61
REMARKS patch 3TER DNA2:120
REMARKS patch DEO2 DNA2:61
REMARKS patch DEO1 DNA2:62
REMARKS patch DEO1 DNA2:63
REMARKS patch DEO2 DNA2:64
REMARKS patch DEO2 DNA2:65
REMARKS patch DEO2 DNA2:66
REMARKS patch DEO2 DNA2:67
REMARKS patch DEO1 DNA2:68
REMARKS patch DEO1 DNA2:69
REMARKS patch DEO1 DNA2:70
REMARKS patch DEO1 DNA2:71
REMARKS patch DEO1 DNA2:72
REMARKS patch DEO1 DNA2:73
REMARKS patch DEO2 DNA2:74
REMARKS patch DEO2 DNA2:75
REMARKS patch DEO2 DNA2:76
REMARKS patch DEO2 DNA2:77
REMARKS patch DEO1 DNA2:78
REMARKS patch DEO2 DNA2:79
REMARKS patch DEO2 DNA2:80
REMARKS patch DEO1 DNA2:81
REMARKS patch DEO1 DNA2:82
REMARKS patch DEO2 DNA2:83
REMARKS patch DEO1 DNA2:84
REMARKS patch DEO2 DNA2:85
REMARKS patch DEO1 DNA2:86
REMARKS patch DEO2 DNA2:87
REMARKS patch DEO2 DNA2:88
REMARKS patch DEO2 DNA2:89
REMARKS patch DEO1 DNA2:90
REMARKS patch DEO2 DNA2:91
REMARKS patch DEO1 DNA2:92
REMARKS patch DEO1 DNA2:93
REMARKS patch DEO1 DNA2:94
REMARKS patch DEO1 DNA2:95
REMARKS patch DEO1 DNA2:96
REMARKS patch DEO2 DNA2:97
REMARKS patch DEO2 DNA2:98
REMARKS patch DEO1 DNA2:99
REMARKS patch DEO2 DNA2:100
REMARKS patch DEO1 DNA2:101
REMARKS patch DEO2 DNA2:102
REMARKS patch DEO1 DNA2:103
REMARKS patch DEO2 DNA2:104
REMARKS patch DEO1 DNA2:105
REMARKS patch DEO2 DNA2:106
REMARKS patch DEO1 DNA2:107
REMARKS patch DEO2 DNA2:108
REMARKS patch DEO2 DNA2:109
REMARKS patch DEO2 DNA2:110
REMARKS patch DEO2 DNA2:111
REMARKS patch DEO1 DNA2:112
REMARKS patch DEO2 DNA2:113
REMARKS patch DEO1 DNA2:114
REMARKS patch DEO2 DNA2:115
REMARKS patch DEO1 DNA2:116
REMARKS patch DEO2 DNA2:117
REMARKS patch DEO1 DNA2:118
REMARKS patch DEO2 DNA2:119
REMARKS patch DEO1 DNA2:120
3809 !NATOM
1 DNA1 1 ADE H5T HN5 0.430000 1.0080 0
2 DNA1 1 ADE O5' ON5 -0.660000 15.9994 0
3 DNA1 1 ADE C5' CN8B 0.050000 12.0110 0
4 DNA1 1 ADE H5' HN8 0.090000 1.0080 0
5 DNA1 1 ADE H5'' HN8 0.090000 1.0080 0
6 DNA1 1 ADE C4' CN7 0.160000 12.0110 0
7 DNA1 1 ADE H4' HN7 0.090000 1.0080 0
8 DNA1 1 ADE O4' ON6 -0.500000 15.9994 0
9 DNA1 1 ADE C1' CN7B 0.160000 12.0110 0
10 DNA1 1 ADE H1' HN7 0.090000 1.0080 0
11 DNA1 1 ADE N9 NN2 -0.050000 14.0070 0
12 DNA1 1 ADE C5 CN5 0.280000 12.0110 0
13 DNA1 1 ADE N7 NN4 -0.710000 14.0070 0
14 DNA1 1 ADE C8 CN4 0.340000 12.0110 0
15 DNA1 1 ADE H8 HN3 0.120000 1.0080 0
16 DNA1 1 ADE N1 NN3A -0.740000 14.0070 0
17 DNA1 1 ADE C2 CN4 0.500000 12.0110 0
18 DNA1 1 ADE H2 HN3 0.130000 1.0080 0
19 DNA1 1 ADE N3 NN3A -0.750000 14.0070 0
20 DNA1 1 ADE C4 CN5 0.430000 12.0110 0
21 DNA1 1 ADE C6 CN2 0.460000 12.0110 0
22 DNA1 1 ADE N6 NN1 -0.770000 14.0070 0
23 DNA1 1 ADE H61 HN1 0.380000 1.0080 0
24 DNA1 1 ADE H62 HN1 0.380000 1.0080 0
25 DNA1 1 ADE C2' CN8 -0.180000 12.0110 0
26 DNA1 1 ADE H2'' HN8 0.090000 1.0080 0
27 DNA1 1 ADE H2' HN8 0.090000 1.0080 0
28 DNA1 1 ADE C3' CN7 0.010000 12.0110 0
29 DNA1 1 ADE H3' HN7 0.090000 1.0080 0
30 DNA1 1 ADE O3' ON2 -0.570000 15.9994 0
31 DNA1 2 THY P P 1.500000 30.9740 0
32 DNA1 2 THY O1P ON3 -0.780000 15.9994 0
33 DNA1 2 THY O2P ON3 -0.780000 15.9994 0
34 DNA1 2 THY O5' ON2 -0.570000 15.9994 0
35 DNA1 2 THY C5' CN8B -0.080000 12.0110 0
36 DNA1 2 THY H5' HN8 0.090000 1.0080 0
37 DNA1 2 THY H5'' HN8 0.090000 1.0080 0
38 DNA1 2 THY C4' CN7 0.160000 12.0110 0
39 DNA1 2 THY H4' HN7 0.090000 1.0080 0
40 DNA1 2 THY O4' ON6 -0.500000 15.9994 0
41 DNA1 2 THY C1' CN7B 0.160000 12.0110 0
42 DNA1 2 THY H1' HN7 0.090000 1.0080 0
43 DNA1 2 THY N1 NN2B -0.340000 14.0070 0
44 DNA1 2 THY C6 CN3 0.170000 12.0110 0
45 DNA1 2 THY H6 HN3 0.170000 1.0080 0
46 DNA1 2 THY C2 CN1T 0.510000 12.0110 0
47 DNA1 2 THY O2 ON1 -0.410000 15.9994 0
48 DNA1 2 THY N3 NN2U -0.460000 14.0070 0
49 DNA1 2 THY H3 HN2 0.360000 1.0080 0
50 DNA1 2 THY C4 CN1 0.500000 12.0110 0
51 DNA1 2 THY O4 ON1 -0.450000 15.9994 0
52 DNA1 2 THY C5 CN3T -0.150000 12.0110 0
53 DNA1 2 THY C5M CN9 -0.110000 12.0110 0
54 DNA1 2 THY H51 HN9 0.070000 1.0080 0
55 DNA1 2 THY H52 HN9 0.070000 1.0080 0
56 DNA1 2 THY H53 HN9 0.070000 1.0080 0
57 DNA1 2 THY C2' CN8 -0.180000 12.0110 0
58 DNA1 2 THY H2'' HN8 0.090000 1.0080 0
59 DNA1 2 THY H2' HN8 0.090000 1.0080 0
60 DNA1 2 THY C3' CN7 0.010000 12.0110 0
61 DNA1 2 THY H3' HN7 0.090000 1.0080 0
62 DNA1 2 THY O3' ON2 -0.570000 15.9994 0
63 DNA1 3 ADE P P 1.500000 30.9740 0
64 DNA1 3 ADE O1P ON3 -0.780000 15.9994 0
65 DNA1 3 ADE O2P ON3 -0.780000 15.9994 0
66 DNA1 3 ADE O5' ON2 -0.570000 15.9994 0
67 DNA1 3 ADE C5' CN8B -0.080000 12.0110 0
68 DNA1 3 ADE H5' HN8 0.090000 1.0080 0
69 DNA1 3 ADE H5'' HN8 0.090000 1.0080 0
70 DNA1 3 ADE C4' CN7 0.160000 12.0110 0
71 DNA1 3 ADE H4' HN7 0.090000 1.0080 0
72 DNA1 3 ADE O4' ON6 -0.500000 15.9994 0
73 DNA1 3 ADE C1' CN7B 0.160000 12.0110 0
74 DNA1 3 ADE H1' HN7 0.090000 1.0080 0
75 DNA1 3 ADE N9 NN2 -0.050000 14.0070 0
76 DNA1 3 ADE C5 CN5 0.280000 12.0110 0
77 DNA1 3 ADE N7 NN4 -0.710000 14.0070 0
78 DNA1 3 ADE C8 CN4 0.340000 12.0110 0
79 DNA1 3 ADE H8 HN3 0.120000 1.0080 0
80 DNA1 3 ADE N1 NN3A -0.740000 14.0070 0
81 DNA1 3 ADE C2 CN4 0.500000 12.0110 0
82 DNA1 3 ADE H2 HN3 0.130000 1.0080 0
83 DNA1 3 ADE N3 NN3A -0.750000 14.0070 0
84 DNA1 3 ADE C4 CN5 0.430000 12.0110 0
85 DNA1 3 ADE C6 CN2 0.460000 12.0110 0
86 DNA1 3 ADE N6 NN1 -0.770000 14.0070 0
87 DNA1 3 ADE H61 HN1 0.380000 1.0080 0
88 DNA1 3 ADE H62 HN1 0.380000 1.0080 0
89 DNA1 3 ADE C2' CN8 -0.180000 12.0110 0
90 DNA1 3 ADE H2'' HN8 0.090000 1.0080 0
91 DNA1 3 ADE H2' HN8 0.090000 1.0080 0
92 DNA1 3 ADE C3' CN7 0.010000 12.0110 0
93 DNA1 3 ADE H3' HN7 0.090000 1.0080 0
94 DNA1 3 ADE O3' ON2 -0.570000 15.9994 0
95 DNA1 4 THY P P 1.500000 30.9740 0
96 DNA1 4 THY O1P ON3 -0.780000 15.9994 0
97 DNA1 4 THY O2P ON3 -0.780000 15.9994 0
98 DNA1 4 THY O5' ON2 -0.570000 15.9994 0
99 DNA1 4 THY C5' CN8B -0.080000 12.0110 0
100 DNA1 4 THY H5' HN8 0.090000 1.0080 0
101 DNA1 4 THY H5'' HN8 0.090000 1.0080 0
102 DNA1 4 THY C4' CN7 0.160000 12.0110 0
103 DNA1 4 THY H4' HN7 0.090000 1.0080 0
104 DNA1 4 THY O4' ON6 -0.500000 15.9994 0
105 DNA1 4 THY C1' CN7B 0.160000 12.0110 0
106 DNA1 4 THY H1' HN7 0.090000 1.0080 0
107 DNA1 4 THY N1 NN2B -0.340000 14.0070 0
108 DNA1 4 THY C6 CN3 0.170000 12.0110 0
109 DNA1 4 THY H6 HN3 0.170000 1.0080 0
110 DNA1 4 THY C2 CN1T 0.510000 12.0110 0
111 DNA1 4 THY O2 ON1 -0.410000 15.9994 0
112 DNA1 4 THY N3 NN2U -0.460000 14.0070 0
113 DNA1 4 THY H3 HN2 0.360000 1.0080 0
114 DNA1 4 THY C4 CN1 0.500000 12.0110 0
115 DNA1 4 THY O4 ON1 -0.450000 15.9994 0
116 DNA1 4 THY C5 CN3T -0.150000 12.0110 0
117 DNA1 4 THY C5M CN9 -0.110000 12.0110 0
118 DNA1 4 THY H51 HN9 0.070000 1.0080 0
119 DNA1 4 THY H52 HN9 0.070000 1.0080 0
120 DNA1 4 THY H53 HN9 0.070000 1.0080 0
121 DNA1 4 THY C2' CN8 -0.180000 12.0110 0
122 DNA1 4 THY H2'' HN8 0.090000 1.0080 0
123 DNA1 4 THY H2' HN8 0.090000 1.0080 0
124 DNA1 4 THY C3' CN7 0.010000 12.0110 0
125 DNA1 4 THY H3' HN7 0.090000 1.0080 0
126 DNA1 4 THY O3' ON2 -0.570000 15.9994 0
127 DNA1 5 ADE P P 1.500000 30.9740 0
128 DNA1 5 ADE O1P ON3 -0.780000 15.9994 0
129 DNA1 5 ADE O2P ON3 -0.780000 15.9994 0
130 DNA1 5 ADE O5' ON2 -0.570000 15.9994 0
131 DNA1 5 ADE C5' CN8B -0.080000 12.0110 0
132 DNA1 5 ADE H5' HN8 0.090000 1.0080 0
133 DNA1 5 ADE H5'' HN8 0.090000 1.0080 0
134 DNA1 5 ADE C4' CN7 0.160000 12.0110 0
135 DNA1 5 ADE H4' HN7 0.090000 1.0080 0
136 DNA1 5 ADE O4' ON6 -0.500000 15.9994 0
137 DNA1 5 ADE C1' CN7B 0.160000 12.0110 0
138 DNA1 5 ADE H1' HN7 0.090000 1.0080 0
139 DNA1 5 ADE N9 NN2 -0.050000 14.0070 0
140 DNA1 5 ADE C5 CN5 0.280000 12.0110 0
141 DNA1 5 ADE N7 NN4 -0.710000 14.0070 0
142 DNA1 5 ADE C8 CN4 0.340000 12.0110 0
143 DNA1 5 ADE H8 HN3 0.120000 1.0080 0
144 DNA1 5 ADE N1 NN3A -0.740000 14.0070 0
145 DNA1 5 ADE C2 CN4 0.500000 12.0110 0
146 DNA1 5 ADE H2 HN3 0.130000 1.0080 0
147 DNA1 5 ADE N3 NN3A -0.750000 14.0070 0
148 DNA1 5 ADE C4 CN5 0.430000 12.0110 0
149 DNA1 5 ADE C6 CN2 0.460000 12.0110 0
150 DNA1 5 ADE N6 NN1 -0.770000 14.0070 0
151 DNA1 5 ADE H61 HN1 0.380000 1.0080 0
152 DNA1 5 ADE H62 HN1 0.380000 1.0080 0
153 DNA1 5 ADE C2' CN8 -0.180000 12.0110 0
154 DNA1 5 ADE H2'' HN8 0.090000 1.0080 0
155 DNA1 5 ADE H2' HN8 0.090000 1.0080 0
156 DNA1 5 ADE C3' CN7 0.010000 12.0110 0
157 DNA1 5 ADE H3' HN7 0.090000 1.0080 0
158 DNA1 5 ADE O3' ON2 -0.570000 15.9994 0
159 DNA1 6 THY P P 1.500000 30.9740 0
160 DNA1 6 THY O1P ON3 -0.780000 15.9994 0
161 DNA1 6 THY O2P ON3 -0.780000 15.9994 0
162 DNA1 6 THY O5' ON2 -0.570000 15.9994 0
163 DNA1 6 THY C5' CN8B -0.080000 12.0110 0
164 DNA1 6 THY H5' HN8 0.090000 1.0080 0
165 DNA1 6 THY H5'' HN8 0.090000 1.0080 0
166 DNA1 6 THY C4' CN7 0.160000 12.0110 0
167 DNA1 6 THY H4' HN7 0.090000 1.0080 0
168 DNA1 6 THY O4' ON6 -0.500000 15.9994 0
169 DNA1 6 THY C1' CN7B 0.160000 12.0110 0
170 DNA1 6 THY H1' HN7 0.090000 1.0080 0
171 DNA1 6 THY N1 NN2B -0.340000 14.0070 0
172 DNA1 6 THY C6 CN3 0.170000 12.0110 0
173 DNA1 6 THY H6 HN3 0.170000 1.0080 0
174 DNA1 6 THY C2 CN1T 0.510000 12.0110 0
175 DNA1 6 THY O2 ON1 -0.410000 15.9994 0
176 DNA1 6 THY N3 NN2U -0.460000 14.0070 0
177 DNA1 6 THY H3 HN2 0.360000 1.0080 0
178 DNA1 6 THY C4 CN1 0.500000 12.0110 0
179 DNA1 6 THY O4 ON1 -0.450000 15.9994 0
180 DNA1 6 THY C5 CN3T -0.150000 12.0110 0
181 DNA1 6 THY C5M CN9 -0.110000 12.0110 0
182 DNA1 6 THY H51 HN9 0.070000 1.0080 0
183 DNA1 6 THY H52 HN9 0.070000 1.0080 0
184 DNA1 6 THY H53 HN9 0.070000 1.0080 0
185 DNA1 6 THY C2' CN8 -0.180000 12.0110 0
186 DNA1 6 THY H2'' HN8 0.090000 1.0080 0
187 DNA1 6 THY H2' HN8 0.090000 1.0080 0
188 DNA1 6 THY C3' CN7 0.010000 12.0110 0
189 DNA1 6 THY H3' HN7 0.090000 1.0080 0
190 DNA1 6 THY O3' ON2 -0.570000 15.9994 0
191 DNA1 7 ADE P P 1.500000 30.9740 0
192 DNA1 7 ADE O1P ON3 -0.780000 15.9994 0
193 DNA1 7 ADE O2P ON3 -0.780000 15.9994 0
194 DNA1 7 ADE O5' ON2 -0.570000 15.9994 0
195 DNA1 7 ADE C5' CN8B -0.080000 12.0110 0
196 DNA1 7 ADE H5' HN8 0.090000 1.0080 0
197 DNA1 7 ADE H5'' HN8 0.090000 1.0080 0
198 DNA1 7 ADE C4' CN7 0.160000 12.0110 0
199 DNA1 7 ADE H4' HN7 0.090000 1.0080 0
200 DNA1 7 ADE O4' ON6 -0.500000 15.9994 0
201 DNA1 7 ADE C1' CN7B 0.160000 12.0110 0
202 DNA1 7 ADE H1' HN7 0.090000 1.0080 0
203 DNA1 7 ADE N9 NN2 -0.050000 14.0070 0
204 DNA1 7 ADE C5 CN5 0.280000 12.0110 0
205 DNA1 7 ADE N7 NN4 -0.710000 14.0070 0
206 DNA1 7 ADE C8 CN4 0.340000 12.0110 0
207 DNA1 7 ADE H8 HN3 0.120000 1.0080 0
208 DNA1 7 ADE N1 NN3A -0.740000 14.0070 0
209 DNA1 7 ADE C2 CN4 0.500000 12.0110 0
210 DNA1 7 ADE H2 HN3 0.130000 1.0080 0
211 DNA1 7 ADE N3 NN3A -0.750000 14.0070 0
212 DNA1 7 ADE C4 CN5 0.430000 12.0110 0
213 DNA1 7 ADE C6 CN2 0.460000 12.0110 0
214 DNA1 7 ADE N6 NN1 -0.770000 14.0070 0
215 DNA1 7 ADE H61 HN1 0.380000 1.0080 0
216 DNA1 7 ADE H62 HN1 0.380000 1.0080 0
217 DNA1 7 ADE C2' CN8 -0.180000 12.0110 0
218 DNA1 7 ADE H2'' HN8 0.090000 1.0080 0
219 DNA1 7 ADE H2' HN8 0.090000 1.0080 0
220 DNA1 7 ADE C3' CN7 0.010000 12.0110 0
221 DNA1 7 ADE H3' HN7 0.090000 1.0080 0
222 DNA1 7 ADE O3' ON2 -0.570000 15.9994 0
223 DNA1 8 CYT P P 1.500000 30.9740 0
224 DNA1 8 CYT O1P ON3 -0.780000 15.9994 0
225 DNA1 8 CYT O2P ON3 -0.780000 15.9994 0
226 DNA1 8 CYT O5' ON2 -0.570000 15.9994 0
227 DNA1 8 CYT C5' CN8B -0.080000 12.0110 0
228 DNA1 8 CYT H5' HN8 0.090000 1.0080 0
229 DNA1 8 CYT H5'' HN8 0.090000 1.0080 0
230 DNA1 8 CYT C4' CN7 0.160000 12.0110 0
231 DNA1 8 CYT H4' HN7 0.090000 1.0080 0
232 DNA1 8 CYT O4' ON6 -0.500000 15.9994 0
233 DNA1 8 CYT C1' CN7B 0.160000 12.0110 0
234 DNA1 8 CYT H1' HN7 0.090000 1.0080 0
235 DNA1 8 CYT N1 NN2 -0.130000 14.0070 0
236 DNA1 8 CYT C6 CN3 0.050000 12.0110 0
237 DNA1 8 CYT H6 HN3 0.170000 1.0080 0
238 DNA1 8 CYT C5 CN3 -0.130000 12.0110 0
239 DNA1 8 CYT H5 HN3 0.070000 1.0080 0
240 DNA1 8 CYT C2 CN1 0.520000 12.0110 0
241 DNA1 8 CYT O2 ON1C -0.490000 15.9994 0
242 DNA1 8 CYT N3 NN3 -0.660000 14.0070 0
243 DNA1 8 CYT C4 CN2 0.650000 12.0110 0
244 DNA1 8 CYT N4 NN1 -0.750000 14.0070 0
245 DNA1 8 CYT H41 HN1 0.370000 1.0080 0
246 DNA1 8 CYT H42 HN1 0.330000 1.0080 0
247 DNA1 8 CYT C2' CN8 -0.180000 12.0110 0
248 DNA1 8 CYT H2'' HN8 0.090000 1.0080 0
249 DNA1 8 CYT H2' HN8 0.090000 1.0080 0
250 DNA1 8 CYT C3' CN7 0.010000 12.0110 0
251 DNA1 8 CYT H3' HN7 0.090000 1.0080 0
252 DNA1 8 CYT O3' ON2 -0.570000 15.9994 0
253 DNA1 9 ADE P P 1.500000 30.9740 0
254 DNA1 9 ADE O1P ON3 -0.780000 15.9994 0
255 DNA1 9 ADE O2P ON3 -0.780000 15.9994 0
256 DNA1 9 ADE O5' ON2 -0.570000 15.9994 0
257 DNA1 9 ADE C5' CN8B -0.080000 12.0110 0
258 DNA1 9 ADE H5' HN8 0.090000 1.0080 0
259 DNA1 9 ADE H5'' HN8 0.090000 1.0080 0
260 DNA1 9 ADE C4' CN7 0.160000 12.0110 0
261 DNA1 9 ADE H4' HN7 0.090000 1.0080 0
262 DNA1 9 ADE O4' ON6 -0.500000 15.9994 0
263 DNA1 9 ADE C1' CN7B 0.160000 12.0110 0
264 DNA1 9 ADE H1' HN7 0.090000 1.0080 0
265 DNA1 9 ADE N9 NN2 -0.050000 14.0070 0
266 DNA1 9 ADE C5 CN5 0.280000 12.0110 0
267 DNA1 9 ADE N7 NN4 -0.710000 14.0070 0
268 DNA1 9 ADE C8 CN4 0.340000 12.0110 0
269 DNA1 9 ADE H8 HN3 0.120000 1.0080 0
270 DNA1 9 ADE N1 NN3A -0.740000 14.0070 0
271 DNA1 9 ADE C2 CN4 0.500000 12.0110 0
272 DNA1 9 ADE H2 HN3 0.130000 1.0080 0
273 DNA1 9 ADE N3 NN3A -0.750000 14.0070 0
274 DNA1 9 ADE C4 CN5 0.430000 12.0110 0
275 DNA1 9 ADE C6 CN2 0.460000 12.0110 0
276 DNA1 9 ADE N6 NN1 -0.770000 14.0070 0
277 DNA1 9 ADE H61 HN1 0.380000 1.0080 0
278 DNA1 9 ADE H62 HN1 0.380000 1.0080 0
279 DNA1 9 ADE C2' CN8 -0.180000 12.0110 0
280 DNA1 9 ADE H2'' HN8 0.090000 1.0080 0
281 DNA1 9 ADE H2' HN8 0.090000 1.0080 0
282 DNA1 9 ADE C3' CN7 0.010000 12.0110 0
283 DNA1 9 ADE H3' HN7 0.090000 1.0080 0
284 DNA1 9 ADE O3' ON2 -0.570000 15.9994 0
285 DNA1 10 THY P P 1.500000 30.9740 0
286 DNA1 10 THY O1P ON3 -0.780000 15.9994 0
287 DNA1 10 THY O2P ON3 -0.780000 15.9994 0
288 DNA1 10 THY O5' ON2 -0.570000 15.9994 0
289 DNA1 10 THY C5' CN8B -0.080000 12.0110 0
290 DNA1 10 THY H5' HN8 0.090000 1.0080 0
291 DNA1 10 THY H5'' HN8 0.090000 1.0080 0
292 DNA1 10 THY C4' CN7 0.160000 12.0110 0
293 DNA1 10 THY H4' HN7 0.090000 1.0080 0
294 DNA1 10 THY O4' ON6 -0.500000 15.9994 0
295 DNA1 10 THY C1' CN7B 0.160000 12.0110 0
296 DNA1 10 THY H1' HN7 0.090000 1.0080 0
297 DNA1 10 THY N1 NN2B -0.340000 14.0070 0
298 DNA1 10 THY C6 CN3 0.170000 12.0110 0
299 DNA1 10 THY H6 HN3 0.170000 1.0080 0
300 DNA1 10 THY C2 CN1T 0.510000 12.0110 0
301 DNA1 10 THY O2 ON1 -0.410000 15.9994 0
302 DNA1 10 THY N3 NN2U -0.460000 14.0070 0
303 DNA1 10 THY H3 HN2 0.360000 1.0080 0
304 DNA1 10 THY C4 CN1 0.500000 12.0110 0
305 DNA1 10 THY O4 ON1 -0.450000 15.9994 0
306 DNA1 10 THY C5 CN3T -0.150000 12.0110 0
307 DNA1 10 THY C5M CN9 -0.110000 12.0110 0
308 DNA1 10 THY H51 HN9 0.070000 1.0080 0
309 DNA1 10 THY H52 HN9 0.070000 1.0080 0
310 DNA1 10 THY H53 HN9 0.070000 1.0080 0
311 DNA1 10 THY C2' CN8 -0.180000 12.0110 0
312 DNA1 10 THY H2'' HN8 0.090000 1.0080 0
313 DNA1 10 THY H2' HN8 0.090000 1.0080 0
314 DNA1 10 THY C3' CN7 0.010000 12.0110 0
315 DNA1 10 THY H3' HN7 0.090000 1.0080 0
316 DNA1 10 THY O3' ON2 -0.570000 15.9994 0
317 DNA1 11 CYT P P 1.500000 30.9740 0
318 DNA1 11 CYT O1P ON3 -0.780000 15.9994 0
319 DNA1 11 CYT O2P ON3 -0.780000 15.9994 0
320 DNA1 11 CYT O5' ON2 -0.570000 15.9994 0
321 DNA1 11 CYT C5' CN8B -0.080000 12.0110 0
322 DNA1 11 CYT H5' HN8 0.090000 1.0080 0
323 DNA1 11 CYT H5'' HN8 0.090000 1.0080 0
324 DNA1 11 CYT C4' CN7 0.160000 12.0110 0
325 DNA1 11 CYT H4' HN7 0.090000 1.0080 0
326 DNA1 11 CYT O4' ON6 -0.500000 15.9994 0
327 DNA1 11 CYT C1' CN7B 0.160000 12.0110 0
328 DNA1 11 CYT H1' HN7 0.090000 1.0080 0
329 DNA1 11 CYT N1 NN2 -0.130000 14.0070 0
330 DNA1 11 CYT C6 CN3 0.050000 12.0110 0
331 DNA1 11 CYT H6 HN3 0.170000 1.0080 0
332 DNA1 11 CYT C5 CN3 -0.130000 12.0110 0
333 DNA1 11 CYT H5 HN3 0.070000 1.0080 0
334 DNA1 11 CYT C2 CN1 0.520000 12.0110 0
335 DNA1 11 CYT O2 ON1C -0.490000 15.9994 0
336 DNA1 11 CYT N3 NN3 -0.660000 14.0070 0
337 DNA1 11 CYT C4 CN2 0.650000 12.0110 0
338 DNA1 11 CYT N4 NN1 -0.750000 14.0070 0
339 DNA1 11 CYT H41 HN1 0.370000 1.0080 0
340 DNA1 11 CYT H42 HN1 0.330000 1.0080 0
341 DNA1 11 CYT C2' CN8 -0.180000 12.0110 0
342 DNA1 11 CYT H2'' HN8 0.090000 1.0080 0
343 DNA1 11 CYT H2' HN8 0.090000 1.0080 0
344 DNA1 11 CYT C3' CN7 0.010000 12.0110 0
345 DNA1 11 CYT H3' HN7 0.090000 1.0080 0
346 DNA1 11 CYT O3' ON2 -0.570000 15.9994 0
347 DNA1 12 CYT P P 1.500000 30.9740 0
348 DNA1 12 CYT O1P ON3 -0.780000 15.9994 0
349 DNA1 12 CYT O2P ON3 -0.780000 15.9994 0
350 DNA1 12 CYT O5' ON2 -0.570000 15.9994 0
351 DNA1 12 CYT C5' CN8B -0.080000 12.0110 0
352 DNA1 12 CYT H5' HN8 0.090000 1.0080 0
353 DNA1 12 CYT H5'' HN8 0.090000 1.0080 0
354 DNA1 12 CYT C4' CN7 0.160000 12.0110 0
355 DNA1 12 CYT H4' HN7 0.090000 1.0080 0
356 DNA1 12 CYT O4' ON6 -0.500000 15.9994 0
357 DNA1 12 CYT C1' CN7B 0.160000 12.0110 0
358 DNA1 12 CYT H1' HN7 0.090000 1.0080 0
359 DNA1 12 CYT N1 NN2 -0.130000 14.0070 0
360 DNA1 12 CYT C6 CN3 0.050000 12.0110 0
361 DNA1 12 CYT H6 HN3 0.170000 1.0080 0
362 DNA1 12 CYT C5 CN3 -0.130000 12.0110 0
363 DNA1 12 CYT H5 HN3 0.070000 1.0080 0
364 DNA1 12 CYT C2 CN1 0.520000 12.0110 0
365 DNA1 12 CYT O2 ON1C -0.490000 15.9994 0
366 DNA1 12 CYT N3 NN3 -0.660000 14.0070 0
367 DNA1 12 CYT C4 CN2 0.650000 12.0110 0
368 DNA1 12 CYT N4 NN1 -0.750000 14.0070 0
369 DNA1 12 CYT H41 HN1 0.370000 1.0080 0
370 DNA1 12 CYT H42 HN1 0.330000 1.0080 0
371 DNA1 12 CYT C2' CN8 -0.180000 12.0110 0
372 DNA1 12 CYT H2'' HN8 0.090000 1.0080 0
373 DNA1 12 CYT H2' HN8 0.090000 1.0080 0
374 DNA1 12 CYT C3' CN7 0.010000 12.0110 0
375 DNA1 12 CYT H3' HN7 0.090000 1.0080 0
376 DNA1 12 CYT O3' ON2 -0.570000 15.9994 0
377 DNA1 13 THY P P 1.500000 30.9740 0
378 DNA1 13 THY O1P ON3 -0.780000 15.9994 0
379 DNA1 13 THY O2P ON3 -0.780000 15.9994 0
380 DNA1 13 THY O5' ON2 -0.570000 15.9994 0
381 DNA1 13 THY C5' CN8B -0.080000 12.0110 0
382 DNA1 13 THY H5' HN8 0.090000 1.0080 0
383 DNA1 13 THY H5'' HN8 0.090000 1.0080 0
384 DNA1 13 THY C4' CN7 0.160000 12.0110 0
385 DNA1 13 THY H4' HN7 0.090000 1.0080 0
386 DNA1 13 THY O4' ON6 -0.500000 15.9994 0
387 DNA1 13 THY C1' CN7B 0.160000 12.0110 0
388 DNA1 13 THY H1' HN7 0.090000 1.0080 0
389 DNA1 13 THY N1 NN2B -0.340000 14.0070 0
390 DNA1 13 THY C6 CN3 0.170000 12.0110 0
391 DNA1 13 THY H6 HN3 0.170000 1.0080 0
392 DNA1 13 THY C2 CN1T 0.510000 12.0110 0
393 DNA1 13 THY O2 ON1 -0.410000 15.9994 0
394 DNA1 13 THY N3 NN2U -0.460000 14.0070 0
395 DNA1 13 THY H3 HN2 0.360000 1.0080 0
396 DNA1 13 THY C4 CN1 0.500000 12.0110 0
397 DNA1 13 THY O4 ON1 -0.450000 15.9994 0
398 DNA1 13 THY C5 CN3T -0.150000 12.0110 0
399 DNA1 13 THY C5M CN9 -0.110000 12.0110 0
400 DNA1 13 THY H51 HN9 0.070000 1.0080 0
401 DNA1 13 THY H52 HN9 0.070000 1.0080 0
402 DNA1 13 THY H53 HN9 0.070000 1.0080 0
403 DNA1 13 THY C2' CN8 -0.180000 12.0110 0
404 DNA1 13 THY H2'' HN8 0.090000 1.0080 0
405 DNA1 13 THY H2' HN8 0.090000 1.0080 0
406 DNA1 13 THY C3' CN7 0.010000 12.0110 0
407 DNA1 13 THY H3' HN7 0.090000 1.0080 0
408 DNA1 13 THY O3' ON2 -0.570000 15.9994 0
409 DNA1 14 GUA P P 1.500000 30.9740 0
410 DNA1 14 GUA O1P ON3 -0.780000 15.9994 0
411 DNA1 14 GUA O2P ON3 -0.780000 15.9994 0
412 DNA1 14 GUA O5' ON2 -0.570000 15.9994 0
413 DNA1 14 GUA C5' CN8B -0.080000 12.0110 0
414 DNA1 14 GUA H5' HN8 0.090000 1.0080 0
415 DNA1 14 GUA H5'' HN8 0.090000 1.0080 0
416 DNA1 14 GUA C4' CN7 0.160000 12.0110 0
417 DNA1 14 GUA H4' HN7 0.090000 1.0080 0
418 DNA1 14 GUA O4' ON6 -0.500000 15.9994 0
419 DNA1 14 GUA C1' CN7B 0.160000 12.0110 0
420 DNA1 14 GUA H1' HN7 0.090000 1.0080 0
421 DNA1 14 GUA N9 NN2B -0.020000 14.0070 0
422 DNA1 14 GUA C4 CN5 0.260000 12.0110 0
423 DNA1 14 GUA N2 NN1 -0.680000 14.0070 0
424 DNA1 14 GUA H21 HN1 0.320000 1.0080 0
425 DNA1 14 GUA H22 HN1 0.350000 1.0080 0
426 DNA1 14 GUA N3 NN3G -0.740000 14.0070 0
427 DNA1 14 GUA C2 CN2 0.750000 12.0110 0
428 DNA1 14 GUA N1 NN2G -0.340000 14.0070 0
429 DNA1 14 GUA H1 HN2 0.260000 1.0080 0
430 DNA1 14 GUA C6 CN1 0.540000 12.0110 0
431 DNA1 14 GUA O6 ON1 -0.510000 15.9994 0
432 DNA1 14 GUA C5 CN5G 0.000000 12.0110 0
433 DNA1 14 GUA N7 NN4 -0.600000 14.0070 0
434 DNA1 14 GUA C8 CN4 0.250000 12.0110 0
435 DNA1 14 GUA H8 HN3 0.160000 1.0080 0
436 DNA1 14 GUA C2' CN8 -0.180000 12.0110 0
437 DNA1 14 GUA H2'' HN8 0.090000 1.0080 0
438 DNA1 14 GUA H2' HN8 0.090000 1.0080 0
439 DNA1 14 GUA C3' CN7 0.010000 12.0110 0
440 DNA1 14 GUA H3' HN7 0.090000 1.0080 0
441 DNA1 14 GUA O3' ON2 -0.570000 15.9994 0
442 DNA1 15 THY P P 1.500000 30.9740 0
443 DNA1 15 THY O1P ON3 -0.780000 15.9994 0
444 DNA1 15 THY O2P ON3 -0.780000 15.9994 0
445 DNA1 15 THY O5' ON2 -0.570000 15.9994 0
446 DNA1 15 THY C5' CN8B -0.080000 12.0110 0
447 DNA1 15 THY H5' HN8 0.090000 1.0080 0
448 DNA1 15 THY H5'' HN8 0.090000 1.0080 0
449 DNA1 15 THY C4' CN7 0.160000 12.0110 0
450 DNA1 15 THY H4' HN7 0.090000 1.0080 0
451 DNA1 15 THY O4' ON6 -0.500000 15.9994 0
452 DNA1 15 THY C1' CN7B 0.160000 12.0110 0
453 DNA1 15 THY H1' HN7 0.090000 1.0080 0
454 DNA1 15 THY N1 NN2B -0.340000 14.0070 0
455 DNA1 15 THY C6 CN3 0.170000 12.0110 0
456 DNA1 15 THY H6 HN3 0.170000 1.0080 0
457 DNA1 15 THY C2 CN1T 0.510000 12.0110 0
458 DNA1 15 THY O2 ON1 -0.410000 15.9994 0
459 DNA1 15 THY N3 NN2U -0.460000 14.0070 0
460 DNA1 15 THY H3 HN2 0.360000 1.0080 0
461 DNA1 15 THY C4 CN1 0.500000 12.0110 0
462 DNA1 15 THY O4 ON1 -0.450000 15.9994 0
463 DNA1 15 THY C5 CN3T -0.150000 12.0110 0
464 DNA1 15 THY C5M CN9 -0.110000 12.0110 0
465 DNA1 15 THY H51 HN9 0.070000 1.0080 0
466 DNA1 15 THY H52 HN9 0.070000 1.0080 0
467 DNA1 15 THY H53 HN9 0.070000 1.0080 0
468 DNA1 15 THY C2' CN8 -0.180000 12.0110 0
469 DNA1 15 THY H2'' HN8 0.090000 1.0080 0
470 DNA1 15 THY H2' HN8 0.090000 1.0080 0
471 DNA1 15 THY C3' CN7 0.010000 12.0110 0
472 DNA1 15 THY H3' HN7 0.090000 1.0080 0
473 DNA1 15 THY O3' ON2 -0.570000 15.9994 0
474 DNA1 16 GUA P P 1.500000 30.9740 0
475 DNA1 16 GUA O1P ON3 -0.780000 15.9994 0
476 DNA1 16 GUA O2P ON3 -0.780000 15.9994 0
477 DNA1 16 GUA O5' ON2 -0.570000 15.9994 0
478 DNA1 16 GUA C5' CN8B -0.080000 12.0110 0
479 DNA1 16 GUA H5' HN8 0.090000 1.0080 0
480 DNA1 16 GUA H5'' HN8 0.090000 1.0080 0
481 DNA1 16 GUA C4' CN7 0.160000 12.0110 0
482 DNA1 16 GUA H4' HN7 0.090000 1.0080 0
483 DNA1 16 GUA O4' ON6 -0.500000 15.9994 0
484 DNA1 16 GUA C1' CN7B 0.160000 12.0110 0
485 DNA1 16 GUA H1' HN7 0.090000 1.0080 0
486 DNA1 16 GUA N9 NN2B -0.020000 14.0070 0
487 DNA1 16 GUA C4 CN5 0.260000 12.0110 0
488 DNA1 16 GUA N2 NN1 -0.680000 14.0070 0
489 DNA1 16 GUA H21 HN1 0.320000 1.0080 0
490 DNA1 16 GUA H22 HN1 0.350000 1.0080 0
491 DNA1 16 GUA N3 NN3G -0.740000 14.0070 0
492 DNA1 16 GUA C2 CN2 0.750000 12.0110 0
493 DNA1 16 GUA N1 NN2G -0.340000 14.0070 0
494 DNA1 16 GUA H1 HN2 0.260000 1.0080 0
495 DNA1 16 GUA C6 CN1 0.540000 12.0110 0
496 DNA1 16 GUA O6 ON1 -0.510000 15.9994 0
497 DNA1 16 GUA C5 CN5G 0.000000 12.0110 0
498 DNA1 16 GUA N7 NN4 -0.600000 14.0070 0
499 DNA1 16 GUA C8 CN4 0.250000 12.0110 0
500 DNA1 16 GUA H8 HN3 0.160000 1.0080 0
501 DNA1 16 GUA C2' CN8 -0.180000 12.0110 0
502 DNA1 16 GUA H2'' HN8 0.090000 1.0080 0
503 DNA1 16 GUA H2' HN8 0.090000 1.0080 0
504 DNA1 16 GUA C3' CN7 0.010000 12.0110 0
505 DNA1 16 GUA H3' HN7 0.090000 1.0080 0
506 DNA1 16 GUA O3' ON2 -0.570000 15.9994 0
507 DNA1 17 CYT P P 1.500000 30.9740 0
508 DNA1 17 CYT O1P ON3 -0.780000 15.9994 0
509 DNA1 17 CYT O2P ON3 -0.780000 15.9994 0
510 DNA1 17 CYT O5' ON2 -0.570000 15.9994 0
511 DNA1 17 CYT C5' CN8B -0.080000 12.0110 0
512 DNA1 17 CYT H5' HN8 0.090000 1.0080 0
513 DNA1 17 CYT H5'' HN8 0.090000 1.0080 0
514 DNA1 17 CYT C4' CN7 0.160000 12.0110 0
515 DNA1 17 CYT H4' HN7 0.090000 1.0080 0
516 DNA1 17 CYT O4' ON6 -0.500000 15.9994 0
517 DNA1 17 CYT C1' CN7B 0.160000 12.0110 0
518 DNA1 17 CYT H1' HN7 0.090000 1.0080 0
519 DNA1 17 CYT N1 NN2 -0.130000 14.0070 0
520 DNA1 17 CYT C6 CN3 0.050000 12.0110 0
521 DNA1 17 CYT H6 HN3 0.170000 1.0080 0
522 DNA1 17 CYT C5 CN3 -0.130000 12.0110 0
523 DNA1 17 CYT H5 HN3 0.070000 1.0080 0
524 DNA1 17 CYT C2 CN1 0.520000 12.0110 0
525 DNA1 17 CYT O2 ON1C -0.490000 15.9994 0
526 DNA1 17 CYT N3 NN3 -0.660000 14.0070 0
527 DNA1 17 CYT C4 CN2 0.650000 12.0110 0
528 DNA1 17 CYT N4 NN1 -0.750000 14.0070 0
529 DNA1 17 CYT H41 HN1 0.370000 1.0080 0
530 DNA1 17 CYT H42 HN1 0.330000 1.0080 0
531 DNA1 17 CYT C2' CN8 -0.180000 12.0110 0
532 DNA1 17 CYT H2'' HN8 0.090000 1.0080 0
533 DNA1 17 CYT H2' HN8 0.090000 1.0080 0
534 DNA1 17 CYT C3' CN7 0.010000 12.0110 0
535 DNA1 17 CYT H3' HN7 0.090000 1.0080 0
536 DNA1 17 CYT O3' ON2 -0.570000 15.9994 0
537 DNA1 18 ADE P P 1.500000 30.9740 0
538 DNA1 18 ADE O1P ON3 -0.780000 15.9994 0
539 DNA1 18 ADE O2P ON3 -0.780000 15.9994 0
540 DNA1 18 ADE O5' ON2 -0.570000 15.9994 0
541 DNA1 18 ADE C5' CN8B -0.080000 12.0110 0
542 DNA1 18 ADE H5' HN8 0.090000 1.0080 0
543 DNA1 18 ADE H5'' HN8 0.090000 1.0080 0
544 DNA1 18 ADE C4' CN7 0.160000 12.0110 0
545 DNA1 18 ADE H4' HN7 0.090000 1.0080 0
546 DNA1 18 ADE O4' ON6 -0.500000 15.9994 0
547 DNA1 18 ADE C1' CN7B 0.160000 12.0110 0
548 DNA1 18 ADE H1' HN7 0.090000 1.0080 0
549 DNA1 18 ADE N9 NN2 -0.050000 14.0070 0
550 DNA1 18 ADE C5 CN5 0.280000 12.0110 0
551 DNA1 18 ADE N7 NN4 -0.710000 14.0070 0
552 DNA1 18 ADE C8 CN4 0.340000 12.0110 0
553 DNA1 18 ADE H8 HN3 0.120000 1.0080 0
554 DNA1 18 ADE N1 NN3A -0.740000 14.0070 0
555 DNA1 18 ADE C2 CN4 0.500000 12.0110 0
556 DNA1 18 ADE H2 HN3 0.130000 1.0080 0
557 DNA1 18 ADE N3 NN3A -0.750000 14.0070 0
558 DNA1 18 ADE C4 CN5 0.430000 12.0110 0
559 DNA1 18 ADE C6 CN2 0.460000 12.0110 0
560 DNA1 18 ADE N6 NN1 -0.770000 14.0070 0
561 DNA1 18 ADE H61 HN1 0.380000 1.0080 0
562 DNA1 18 ADE H62 HN1 0.380000 1.0080 0
563 DNA1 18 ADE C2' CN8 -0.180000 12.0110 0
564 DNA1 18 ADE H2'' HN8 0.090000 1.0080 0
565 DNA1 18 ADE H2' HN8 0.090000 1.0080 0
566 DNA1 18 ADE C3' CN7 0.010000 12.0110 0
567 DNA1 18 ADE H3' HN7 0.090000 1.0080 0
568 DNA1 18 ADE O3' ON2 -0.570000 15.9994 0
569 DNA1 19 THY P P 1.500000 30.9740 0
570 DNA1 19 THY O1P ON3 -0.780000 15.9994 0
571 DNA1 19 THY O2P ON3 -0.780000 15.9994 0
572 DNA1 19 THY O5' ON2 -0.570000 15.9994 0
573 DNA1 19 THY C5' CN8B -0.080000 12.0110 0
574 DNA1 19 THY H5' HN8 0.090000 1.0080 0
575 DNA1 19 THY H5'' HN8 0.090000 1.0080 0
576 DNA1 19 THY C4' CN7 0.160000 12.0110 0
577 DNA1 19 THY H4' HN7 0.090000 1.0080 0
578 DNA1 19 THY O4' ON6 -0.500000 15.9994 0
579 DNA1 19 THY C1' CN7B 0.160000 12.0110 0
580 DNA1 19 THY H1' HN7 0.090000 1.0080 0
581 DNA1 19 THY N1 NN2B -0.340000 14.0070 0
582 DNA1 19 THY C6 CN3 0.170000 12.0110 0
583 DNA1 19 THY H6 HN3 0.170000 1.0080 0
584 DNA1 19 THY C2 CN1T 0.510000 12.0110 0
585 DNA1 19 THY O2 ON1 -0.410000 15.9994 0
586 DNA1 19 THY N3 NN2U -0.460000 14.0070 0
587 DNA1 19 THY H3 HN2 0.360000 1.0080 0
588 DNA1 19 THY C4 CN1 0.500000 12.0110 0
589 DNA1 19 THY O4 ON1 -0.450000 15.9994 0
590 DNA1 19 THY C5 CN3T -0.150000 12.0110 0
591 DNA1 19 THY C5M CN9 -0.110000 12.0110 0
592 DNA1 19 THY H51 HN9 0.070000 1.0080 0
593 DNA1 19 THY H52 HN9 0.070000 1.0080 0
594 DNA1 19 THY H53 HN9 0.070000 1.0080 0
595 DNA1 19 THY C2' CN8 -0.180000 12.0110 0
596 DNA1 19 THY H2'' HN8 0.090000 1.0080 0
597 DNA1 19 THY H2' HN8 0.090000 1.0080 0
598 DNA1 19 THY C3' CN7 0.010000 12.0110 0
599 DNA1 19 THY H3' HN7 0.090000 1.0080 0
600 DNA1 19 THY O3' ON2 -0.570000 15.9994 0
601 DNA1 20 GUA P P 1.500000 30.9740 0
602 DNA1 20 GUA O1P ON3 -0.780000 15.9994 0
603 DNA1 20 GUA O2P ON3 -0.780000 15.9994 0
604 DNA1 20 GUA O5' ON2 -0.570000 15.9994 0
605 DNA1 20 GUA C5' CN8B -0.080000 12.0110 0
606 DNA1 20 GUA H5' HN8 0.090000 1.0080 0
607 DNA1 20 GUA H5'' HN8 0.090000 1.0080 0
608 DNA1 20 GUA C4' CN7 0.160000 12.0110 0
609 DNA1 20 GUA H4' HN7 0.090000 1.0080 0
610 DNA1 20 GUA O4' ON6 -0.500000 15.9994 0
611 DNA1 20 GUA C1' CN7B 0.160000 12.0110 0
612 DNA1 20 GUA H1' HN7 0.090000 1.0080 0
613 DNA1 20 GUA N9 NN2B -0.020000 14.0070 0
614 DNA1 20 GUA C4 CN5 0.260000 12.0110 0
615 DNA1 20 GUA N2 NN1 -0.680000 14.0070 0
616 DNA1 20 GUA H21 HN1 0.320000 1.0080 0
617 DNA1 20 GUA H22 HN1 0.350000 1.0080 0
618 DNA1 20 GUA N3 NN3G -0.740000 14.0070 0
619 DNA1 20 GUA C2 CN2 0.750000 12.0110 0
620 DNA1 20 GUA N1 NN2G -0.340000 14.0070 0
621 DNA1 20 GUA H1 HN2 0.260000 1.0080 0
622 DNA1 20 GUA C6 CN1 0.540000 12.0110 0
623 DNA1 20 GUA O6 ON1 -0.510000 15.9994 0
624 DNA1 20 GUA C5 CN5G 0.000000 12.0110 0
625 DNA1 20 GUA N7 NN4 -0.600000 14.0070 0
626 DNA1 20 GUA C8 CN4 0.250000 12.0110 0
627 DNA1 20 GUA H8 HN3 0.160000 1.0080 0
628 DNA1 20 GUA C2' CN8 -0.180000 12.0110 0
629 DNA1 20 GUA H2'' HN8 0.090000 1.0080 0
630 DNA1 20 GUA H2' HN8 0.090000 1.0080 0
631 DNA1 20 GUA C3' CN7 0.010000 12.0110 0
632 DNA1 20 GUA H3' HN7 0.090000 1.0080 0
633 DNA1 20 GUA O3' ON2 -0.570000 15.9994 0
634 DNA1 21 THY P P 1.500000 30.9740 0
635 DNA1 21 THY O1P ON3 -0.780000 15.9994 0
636 DNA1 21 THY O2P ON3 -0.780000 15.9994 0
637 DNA1 21 THY O5' ON2 -0.570000 15.9994 0
638 DNA1 21 THY C5' CN8B -0.080000 12.0110 0
639 DNA1 21 THY H5' HN8 0.090000 1.0080 0
640 DNA1 21 THY H5'' HN8 0.090000 1.0080 0
641 DNA1 21 THY C4' CN7 0.160000 12.0110 0
642 DNA1 21 THY H4' HN7 0.090000 1.0080 0
643 DNA1 21 THY O4' ON6 -0.500000 15.9994 0
644 DNA1 21 THY C1' CN7B 0.160000 12.0110 0
645 DNA1 21 THY H1' HN7 0.090000 1.0080 0
646 DNA1 21 THY N1 NN2B -0.340000 14.0070 0
647 DNA1 21 THY C6 CN3 0.170000 12.0110 0
648 DNA1 21 THY H6 HN3 0.170000 1.0080 0
649 DNA1 21 THY C2 CN1T 0.510000 12.0110 0
650 DNA1 21 THY O2 ON1 -0.410000 15.9994 0
651 DNA1 21 THY N3 NN2U -0.460000 14.0070 0
652 DNA1 21 THY H3 HN2 0.360000 1.0080 0
653 DNA1 21 THY C4 CN1 0.500000 12.0110 0
654 DNA1 21 THY O4 ON1 -0.450000 15.9994 0
655 DNA1 21 THY C5 CN3T -0.150000 12.0110 0
656 DNA1 21 THY C5M CN9 -0.110000 12.0110 0
657 DNA1 21 THY H51 HN9 0.070000 1.0080 0
658 DNA1 21 THY H52 HN9 0.070000 1.0080 0
659 DNA1 21 THY H53 HN9 0.070000 1.0080 0
660 DNA1 21 THY C2' CN8 -0.180000 12.0110 0
661 DNA1 21 THY H2'' HN8 0.090000 1.0080 0
662 DNA1 21 THY H2' HN8 0.090000 1.0080 0
663 DNA1 21 THY C3' CN7 0.010000 12.0110 0
664 DNA1 21 THY H3' HN7 0.090000 1.0080 0
665 DNA1 21 THY O3' ON2 -0.570000 15.9994 0
666 DNA1 22 ADE P P 1.500000 30.9740 0
667 DNA1 22 ADE O1P ON3 -0.780000 15.9994 0
668 DNA1 22 ADE O2P ON3 -0.780000 15.9994 0
669 DNA1 22 ADE O5' ON2 -0.570000 15.9994 0
670 DNA1 22 ADE C5' CN8B -0.080000 12.0110 0
671 DNA1 22 ADE H5' HN8 0.090000 1.0080 0
672 DNA1 22 ADE H5'' HN8 0.090000 1.0080 0
673 DNA1 22 ADE C4' CN7 0.160000 12.0110 0
674 DNA1 22 ADE H4' HN7 0.090000 1.0080 0
675 DNA1 22 ADE O4' ON6 -0.500000 15.9994 0
676 DNA1 22 ADE C1' CN7B 0.160000 12.0110 0
677 DNA1 22 ADE H1' HN7 0.090000 1.0080 0
678 DNA1 22 ADE N9 NN2 -0.050000 14.0070 0
679 DNA1 22 ADE C5 CN5 0.280000 12.0110 0
680 DNA1 22 ADE N7 NN4 -0.710000 14.0070 0
681 DNA1 22 ADE C8 CN4 0.340000 12.0110 0
682 DNA1 22 ADE H8 HN3 0.120000 1.0080 0
683 DNA1 22 ADE N1 NN3A -0.740000 14.0070 0
684 DNA1 22 ADE C2 CN4 0.500000 12.0110 0
685 DNA1 22 ADE H2 HN3 0.130000 1.0080 0
686 DNA1 22 ADE N3 NN3A -0.750000 14.0070 0
687 DNA1 22 ADE C4 CN5 0.430000 12.0110 0
688 DNA1 22 ADE C6 CN2 0.460000 12.0110 0
689 DNA1 22 ADE N6 NN1 -0.770000 14.0070 0
690 DNA1 22 ADE H61 HN1 0.380000 1.0080 0
691 DNA1 22 ADE H62 HN1 0.380000 1.0080 0
692 DNA1 22 ADE C2' CN8 -0.180000 12.0110 0
693 DNA1 22 ADE H2'' HN8 0.090000 1.0080 0
694 DNA1 22 ADE H2' HN8 0.090000 1.0080 0
695 DNA1 22 ADE C3' CN7 0.010000 12.0110 0
696 DNA1 22 ADE H3' HN7 0.090000 1.0080 0
697 DNA1 22 ADE O3' ON2 -0.570000 15.9994 0
698 DNA1 23 THY P P 1.500000 30.9740 0
699 DNA1 23 THY O1P ON3 -0.780000 15.9994 0
700 DNA1 23 THY O2P ON3 -0.780000 15.9994 0
701 DNA1 23 THY O5' ON2 -0.570000 15.9994 0
702 DNA1 23 THY C5' CN8B -0.080000 12.0110 0
703 DNA1 23 THY H5' HN8 0.090000 1.0080 0
704 DNA1 23 THY H5'' HN8 0.090000 1.0080 0
705 DNA1 23 THY C4' CN7 0.160000 12.0110 0
706 DNA1 23 THY H4' HN7 0.090000 1.0080 0
707 DNA1 23 THY O4' ON6 -0.500000 15.9994 0
708 DNA1 23 THY C1' CN7B 0.160000 12.0110 0
709 DNA1 23 THY H1' HN7 0.090000 1.0080 0
710 DNA1 23 THY N1 NN2B -0.340000 14.0070 0
711 DNA1 23 THY C6 CN3 0.170000 12.0110 0
712 DNA1 23 THY H6 HN3 0.170000 1.0080 0
713 DNA1 23 THY C2 CN1T 0.510000 12.0110 0
714 DNA1 23 THY O2 ON1 -0.410000 15.9994 0
715 DNA1 23 THY N3 NN2U -0.460000 14.0070 0
716 DNA1 23 THY H3 HN2 0.360000 1.0080 0
717 DNA1 23 THY C4 CN1 0.500000 12.0110 0
718 DNA1 23 THY O4 ON1 -0.450000 15.9994 0
719 DNA1 23 THY C5 CN3T -0.150000 12.0110 0
720 DNA1 23 THY C5M CN9 -0.110000 12.0110 0
721 DNA1 23 THY H51 HN9 0.070000 1.0080 0
722 DNA1 23 THY H52 HN9 0.070000 1.0080 0
723 DNA1 23 THY H53 HN9 0.070000 1.0080 0
724 DNA1 23 THY C2' CN8 -0.180000 12.0110 0
725 DNA1 23 THY H2'' HN8 0.090000 1.0080 0
726 DNA1 23 THY H2' HN8 0.090000 1.0080 0
727 DNA1 23 THY C3' CN7 0.010000 12.0110 0
728 DNA1 23 THY H3' HN7 0.090000 1.0080 0
729 DNA1 23 THY O3' ON2 -0.570000 15.9994 0
730 DNA1 24 THY P P 1.500000 30.9740 0
731 DNA1 24 THY O1P ON3 -0.780000 15.9994 0
732 DNA1 24 THY O2P ON3 -0.780000 15.9994 0
733 DNA1 24 THY O5' ON2 -0.570000 15.9994 0
734 DNA1 24 THY C5' CN8B -0.080000 12.0110 0
735 DNA1 24 THY H5' HN8 0.090000 1.0080 0
736 DNA1 24 THY H5'' HN8 0.090000 1.0080 0
737 DNA1 24 THY C4' CN7 0.160000 12.0110 0
738 DNA1 24 THY H4' HN7 0.090000 1.0080 0
739 DNA1 24 THY O4' ON6 -0.500000 15.9994 0
740 DNA1 24 THY C1' CN7B 0.160000 12.0110 0
741 DNA1 24 THY H1' HN7 0.090000 1.0080 0
742 DNA1 24 THY N1 NN2B -0.340000 14.0070 0
743 DNA1 24 THY C6 CN3 0.170000 12.0110 0
744 DNA1 24 THY H6 HN3 0.170000 1.0080 0
745 DNA1 24 THY C2 CN1T 0.510000 12.0110 0
746 DNA1 24 THY O2 ON1 -0.410000 15.9994 0
747 DNA1 24 THY N3 NN2U -0.460000 14.0070 0
748 DNA1 24 THY H3 HN2 0.360000 1.0080 0
749 DNA1 24 THY C4 CN1 0.500000 12.0110 0
750 DNA1 24 THY O4 ON1 -0.450000 15.9994 0
751 DNA1 24 THY C5 CN3T -0.150000 12.0110 0
752 DNA1 24 THY C5M CN9 -0.110000 12.0110 0
753 DNA1 24 THY H51 HN9 0.070000 1.0080 0
754 DNA1 24 THY H52 HN9 0.070000 1.0080 0
755 DNA1 24 THY H53 HN9 0.070000 1.0080 0
756 DNA1 24 THY C2' CN8 -0.180000 12.0110 0
757 DNA1 24 THY H2'' HN8 0.090000 1.0080 0
758 DNA1 24 THY H2' HN8 0.090000 1.0080 0
759 DNA1 24 THY C3' CN7 0.010000 12.0110 0
760 DNA1 24 THY H3' HN7 0.090000 1.0080 0
761 DNA1 24 THY O3' ON2 -0.570000 15.9994 0
762 DNA1 25 GUA P P 1.500000 30.9740 0
763 DNA1 25 GUA O1P ON3 -0.780000 15.9994 0
764 DNA1 25 GUA O2P ON3 -0.780000 15.9994 0
765 DNA1 25 GUA O5' ON2 -0.570000 15.9994 0
766 DNA1 25 GUA C5' CN8B -0.080000 12.0110 0
767 DNA1 25 GUA H5' HN8 0.090000 1.0080 0
768 DNA1 25 GUA H5'' HN8 0.090000 1.0080 0
769 DNA1 25 GUA C4' CN7 0.160000 12.0110 0
770 DNA1 25 GUA H4' HN7 0.090000 1.0080 0
771 DNA1 25 GUA O4' ON6 -0.500000 15.9994 0
772 DNA1 25 GUA C1' CN7B 0.160000 12.0110 0
773 DNA1 25 GUA H1' HN7 0.090000 1.0080 0
774 DNA1 25 GUA N9 NN2B -0.020000 14.0070 0
775 DNA1 25 GUA C4 CN5 0.260000 12.0110 0
776 DNA1 25 GUA N2 NN1 -0.680000 14.0070 0
777 DNA1 25 GUA H21 HN1 0.320000 1.0080 0
778 DNA1 25 GUA H22 HN1 0.350000 1.0080 0
779 DNA1 25 GUA N3 NN3G -0.740000 14.0070 0
780 DNA1 25 GUA C2 CN2 0.750000 12.0110 0
781 DNA1 25 GUA N1 NN2G -0.340000 14.0070 0
782 DNA1 25 GUA H1 HN2 0.260000 1.0080 0
783 DNA1 25 GUA C6 CN1 0.540000 12.0110 0
784 DNA1 25 GUA O6 ON1 -0.510000 15.9994 0
785 DNA1 25 GUA C5 CN5G 0.000000 12.0110 0
786 DNA1 25 GUA N7 NN4 -0.600000 14.0070 0
787 DNA1 25 GUA C8 CN4 0.250000 12.0110 0
788 DNA1 25 GUA H8 HN3 0.160000 1.0080 0
789 DNA1 25 GUA C2' CN8 -0.180000 12.0110 0
790 DNA1 25 GUA H2'' HN8 0.090000 1.0080 0
791 DNA1 25 GUA H2' HN8 0.090000 1.0080 0
792 DNA1 25 GUA C3' CN7 0.010000 12.0110 0
793 DNA1 25 GUA H3' HN7 0.090000 1.0080 0
794 DNA1 25 GUA O3' ON2 -0.570000 15.9994 0
795 DNA1 26 ADE P P 1.500000 30.9740 0
796 DNA1 26 ADE O1P ON3 -0.780000 15.9994 0
797 DNA1 26 ADE O2P ON3 -0.780000 15.9994 0
798 DNA1 26 ADE O5' ON2 -0.570000 15.9994 0
799 DNA1 26 ADE C5' CN8B -0.080000 12.0110 0
800 DNA1 26 ADE H5' HN8 0.090000 1.0080 0
801 DNA1 26 ADE H5'' HN8 0.090000 1.0080 0
802 DNA1 26 ADE C4' CN7 0.160000 12.0110 0
803 DNA1 26 ADE H4' HN7 0.090000 1.0080 0
804 DNA1 26 ADE O4' ON6 -0.500000 15.9994 0
805 DNA1 26 ADE C1' CN7B 0.160000 12.0110 0
806 DNA1 26 ADE H1' HN7 0.090000 1.0080 0
807 DNA1 26 ADE N9 NN2 -0.050000 14.0070 0
808 DNA1 26 ADE C5 CN5 0.280000 12.0110 0
809 DNA1 26 ADE N7 NN4 -0.710000 14.0070 0
810 DNA1 26 ADE C8 CN4 0.340000 12.0110 0
811 DNA1 26 ADE H8 HN3 0.120000 1.0080 0
812 DNA1 26 ADE N1 NN3A -0.740000 14.0070 0
813 DNA1 26 ADE C2 CN4 0.500000 12.0110 0
814 DNA1 26 ADE H2 HN3 0.130000 1.0080 0
815 DNA1 26 ADE N3 NN3A -0.750000 14.0070 0
816 DNA1 26 ADE C4 CN5 0.430000 12.0110 0
817 DNA1 26 ADE C6 CN2 0.460000 12.0110 0
818 DNA1 26 ADE N6 NN1 -0.770000 14.0070 0
819 DNA1 26 ADE H61 HN1 0.380000 1.0080 0
820 DNA1 26 ADE H62 HN1 0.380000 1.0080 0
821 DNA1 26 ADE C2' CN8 -0.180000 12.0110 0
822 DNA1 26 ADE H2'' HN8 0.090000 1.0080 0
823 DNA1 26 ADE H2' HN8 0.090000 1.0080 0
824 DNA1 26 ADE C3' CN7 0.010000 12.0110 0
825 DNA1 26 ADE H3' HN7 0.090000 1.0080 0
826 DNA1 26 ADE O3' ON2 -0.570000 15.9994 0
827 DNA1 27 ADE P P 1.500000 30.9740 0
828 DNA1 27 ADE O1P ON3 -0.780000 15.9994 0
829 DNA1 27 ADE O2P ON3 -0.780000 15.9994 0
830 DNA1 27 ADE O5' ON2 -0.570000 15.9994 0
831 DNA1 27 ADE C5' CN8B -0.080000 12.0110 0
832 DNA1 27 ADE H5' HN8 0.090000 1.0080 0
833 DNA1 27 ADE H5'' HN8 0.090000 1.0080 0
834 DNA1 27 ADE C4' CN7 0.160000 12.0110 0
835 DNA1 27 ADE H4' HN7 0.090000 1.0080 0
836 DNA1 27 ADE O4' ON6 -0.500000 15.9994 0
837 DNA1 27 ADE C1' CN7B 0.160000 12.0110 0
838 DNA1 27 ADE H1' HN7 0.090000 1.0080 0
839 DNA1 27 ADE N9 NN2 -0.050000 14.0070 0
840 DNA1 27 ADE C5 CN5 0.280000 12.0110 0
841 DNA1 27 ADE N7 NN4 -0.710000 14.0070 0
842 DNA1 27 ADE C8 CN4 0.340000 12.0110 0
843 DNA1 27 ADE H8 HN3 0.120000 1.0080 0
844 DNA1 27 ADE N1 NN3A -0.740000 14.0070 0
845 DNA1 27 ADE C2 CN4 0.500000 12.0110 0
846 DNA1 27 ADE H2 HN3 0.130000 1.0080 0
847 DNA1 27 ADE N3 NN3A -0.750000 14.0070 0
848 DNA1 27 ADE C4 CN5 0.430000 12.0110 0
849 DNA1 27 ADE C6 CN2 0.460000 12.0110 0
850 DNA1 27 ADE N6 NN1 -0.770000 14.0070 0
851 DNA1 27 ADE H61 HN1 0.380000 1.0080 0
852 DNA1 27 ADE H62 HN1 0.380000 1.0080 0
853 DNA1 27 ADE C2' CN8 -0.180000 12.0110 0
854 DNA1 27 ADE H2'' HN8 0.090000 1.0080 0
855 DNA1 27 ADE H2' HN8 0.090000 1.0080 0
856 DNA1 27 ADE C3' CN7 0.010000 12.0110 0
857 DNA1 27 ADE H3' HN7 0.090000 1.0080 0
858 DNA1 27 ADE O3' ON2 -0.570000 15.9994 0
859 DNA1 28 ADE P P 1.500000 30.9740 0
860 DNA1 28 ADE O1P ON3 -0.780000 15.9994 0
861 DNA1 28 ADE O2P ON3 -0.780000 15.9994 0
862 DNA1 28 ADE O5' ON2 -0.570000 15.9994 0
863 DNA1 28 ADE C5' CN8B -0.080000 12.0110 0
864 DNA1 28 ADE H5' HN8 0.090000 1.0080 0
865 DNA1 28 ADE H5'' HN8 0.090000 1.0080 0
866 DNA1 28 ADE C4' CN7 0.160000 12.0110 0