WebMO Job Summary

33181: C15H17O2N amine, Natural Bond Orbitals - Gaussian

Calculated Quantities

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Overview

Quantity Value
Route #N B3LYP/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBORead) Geom=Connectivity
Method B3LYP
Stoichiometry C15H17NO2
Symmetry C1
Basis 6-311+G(2d,p)
RB3LYP Energy -787.261613705 Hartree
Dipole Moment 4.4248 Debye
Server class (33662)
CPU time 1868.1 sec

Rotational Constants

Constant Frequency (GHz) Frequency (cm-1)
a 1.2694293 0.04234360359
b 0.1546509 0.00515859875
c 0.1430868 0.00477286190

Partial Charges

Atom Symbol Charge
1 C -0.454273  
2 C 0.496972  
3 C -0.291008  
4 C -0.259816  
5 C 0.279046  
6 C -0.034789  
7 C -0.330070  
8 H 0.069782  
9 H 0.075456  
10 N -0.224750  
11 C -0.132613  
12 C 0.800877  
13 C -0.112543  
14 C 0.159071  
15 C 0.039748  
16 C -0.386200  
17 C -0.463869  
18 H 0.083635  
19 H 0.081917  
20 H 0.088700  
21 O -0.559665  
22 C -0.121435  
23 H 0.140145  
24 H 0.140427  
25 H 0.140749  
26 O -0.522012  
27 H 0.325490  
28 H 0.105211  
29 H 0.134917  
30 H 0.221485  
31 H 0.068129  
32 H 0.073699  
33 H 0.111266  
34 H 0.129702  
35 H 0.126618  

Molecular Orbitals

Orbital Symmetry Occupancy Spin Energy () Actions
1 - 2 - -19.17717
2 - 2 - -19.16255
3 - 2 - -14.3124
4 - 2 - -10.2425
5 - 2 - -10.2415
6 - 2 - -10.23889
7 - 2 - -10.20456
8 - 2 - -10.20011
9 - 2 - -10.18525
10 - 2 - -10.18277
11 - 2 - -10.17598
12 - 2 - -10.17429
13 - 2 - -10.16109
14 - 2 - -10.15932
15 - 2 - -10.15872
16 - 2 - -10.15759
17 - 2 - -10.15613
18 - 2 - -10.15565
19 - 2 - -1.0959
20 - 2 - -1.06489
21 - 2 - -0.92944
22 - 2 - -0.86524
23 - 2 - -0.8397
24 - 2 - -0.78433
25 - 2 - -0.76575
26 - 2 - -0.74843
27 - 2 - -0.73699
28 - 2 - -0.7141
29 - 2 - -0.69312
30 - 2 - -0.65781
31 - 2 - -0.62512
32 - 2 - -0.61278
33 - 2 - -0.5923
34 - 2 - -0.57274
35 - 2 - -0.56743
36 - 2 - -0.53251
37 - 2 - -0.51905
38 - 2 - -0.50672
39 - 2 - -0.49148
40 - 2 - -0.48487
41 - 2 - -0.46854
42 - 2 - -0.45577
43 - 2 - -0.45445
44 - 2 - -0.44563
45 - 2 - -0.43382
46 - 2 - -0.42676
47 - 2 - -0.42127
48 - 2 - -0.41107
49 - 2 - -0.41025
50 - 2 - -0.40614
51 - 2 - -0.39611
52 - 2 - -0.39015
53 - 2 - -0.37346
54 - 2 - -0.36229
55 - 2 - -0.36073
56 - 2 - -0.3589
57 - 2 - -0.35136
58 - 2 - -0.34404
59 - 2 - -0.33557
60 - 2 - -0.32808
61 - 2 - -0.28359
62 - 2 - -0.2512
63 - 2 - -0.24428
64 - 2 - -0.22548
65 - 2 - -0.19227
66 - 0 - -0.01591
67 - 0 - -0.00773
68 - 0 - -0.00544
69 - 0 - -0.00358
70 - 0 - -0.00167
71 - 0 - 0.00803
72 - 0 - 0.01173
73 - 0 - 0.01571
74 - 0 - 0.02138
75 - 0 - 0.02814
76 - 0 - 0.03364
77 - 0 - 0.03579
78 - 0 - 0.043
79 - 0 - 0.04494
80 - 0 - 0.04783
81 - 0 - 0.05517
82 - 0 - 0.05953
83 - 0 - 0.06341
84 - 0 - 0.06717
85 - 0 - 0.07218
86 - 0 - 0.07556
87 - 0 - 0.07726
88 - 0 - 0.08774
89 - 0 - 0.08992
90 - 0 - 0.09241
91 - 0 - 0.09761
92 - 0 - 0.10538
93 - 0 - 0.10923
94 - 0 - 0.1127
95 - 0 - 0.11826
96 - 0 - 0.12176
97 - 0 - 0.12323
98 - 0 - 0.12785
99 - 0 - 0.13205
100 - 0 - 0.13369
101 - 0 - 0.1382
102 - 0 - 0.1414
103 - 0 - 0.14427
104 - 0 - 0.149
105 - 0 - 0.1513
106 - 0 - 0.15562
107 - 0 - 0.15744
108 - 0 - 0.16497
109 - 0 - 0.16696
110 - 0 - 0.16952
111 - 0 - 0.17252
112 - 0 - 0.17421
113 - 0 - 0.17971
114 - 0 - 0.18166
115 - 0 - 0.18232
116 - 0 - 0.18794
117 - 0 - 0.19444
118 - 0 - 0.1955
119 - 0 - 0.19875
120 - 0 - 0.2017
121 - 0 - 0.20368
122 - 0 - 0.20809
123 - 0 - 0.21252
124 - 0 - 0.21306
125 - 0 - 0.2149
126 - 0 - 0.21785
127 - 0 - 0.22014
128 - 0 - 0.22115
129 - 0 - 0.22485
130 - 0 - 0.22963
131 - 0 - 0.23199
132 - 0 - 0.23886
133 - 0 - 0.24
134 - 0 - 0.24244
135 - 0 - 0.24528
136 - 0 - 0.24552
137 - 0 - 0.25202
138 - 0 - 0.25511
139 - 0 - 0.25705
140 - 0 - 0.26318
141 - 0 - 0.26493
142 - 0 - 0.26952
143 - 0 - 0.27337
144 - 0 - 0.27821
145 - 0 - 0.28342
146 - 0 - 0.28507
147 - 0 - 0.2881
148 - 0 - 0.29199
149 - 0 - 0.29674
150 - 0 - 0.29883
151 - 0 - 0.30572
152 - 0 - 0.30794
153 - 0 - 0.31124
154 - 0 - 0.3185
155 - 0 - 0.32444
156 - 0 - 0.32942
157 - 0 - 0.33434
158 - 0 - 0.33516
159 - 0 - 0.34532
160 - 0 - 0.34758
161 - 0 - 0.35249
162 - 0 - 0.35327
163 - 0 - 0.36544
164 - 0 - 0.3703
165 - 0 - 0.37572
166 - 0 - 0.38417
167 - 0 - 0.38617
168 - 0 - 0.39664
169 - 0 - 0.40974
170 - 0 - 0.41399
171 - 0 - 0.42078
172 - 0 - 0.42841
173 - 0 - 0.43025
174 - 0 - 0.4369
175 - 0 - 0.4439
176 - 0 - 0.46622
177 - 0 - 0.47453
178 - 0 - 0.4848
179 - 0 - 0.49348
180 - 0 - 0.50319
181 - 0 - 0.51028
182 - 0 - 0.5123
183 - 0 - 0.51882
184 - 0 - 0.52278
185 - 0 - 0.52953
186 - 0 - 0.5375
187 - 0 - 0.54149
188 - 0 - 0.54518
189 - 0 - 0.54857
190 - 0 - 0.55213
191 - 0 - 0.55411
192 - 0 - 0.55966
193 - 0 - 0.56503
194 - 0 - 0.56968
195 - 0 - 0.57526
196 - 0 - 0.57747
197 - 0 - 0.58043
198 - 0 - 0.58727
199 - 0 - 0.5926
200 - 0 - 0.59829
201 - 0 - 0.60327
202 - 0 - 0.60872
203 - 0 - 0.61464
204 - 0 - 0.61786
205 - 0 - 0.62698
206 - 0 - 0.62993
207 - 0 - 0.63125
208 - 0 - 0.63626
209 - 0 - 0.64371
210 - 0 - 0.64827
211 - 0 - 0.65588
212 - 0 - 0.66046
213 - 0 - 0.66498
214 - 0 - 0.6696
215 - 0 - 0.67569
216 - 0 - 0.68068
217 - 0 - 0.68856
218 - 0 - 0.689
219 - 0 - 0.69719
220 - 0 - 0.70377
221 - 0 - 0.7046
222 - 0 - 0.70767
223 - 0 - 0.71181
224 - 0 - 0.71556
225 - 0 - 0.72348
226 - 0 - 0.73127
227 - 0 - 0.73906
228 - 0 - 0.74115
229 - 0 - 0.74822
230 - 0 - 0.75102
231 - 0 - 0.75568
232 - 0 - 0.76233
233 - 0 - 0.76763
234 - 0 - 0.77824
235 - 0 - 0.78373
236 - 0 - 0.79044
237 - 0 - 0.79409
238 - 0 - 0.79846
239 - 0 - 0.80594
240 - 0 - 0.81145
241 - 0 - 0.81461
242 - 0 - 0.81966
243 - 0 - 0.83014
244 - 0 - 0.8415
245 - 0 - 0.843
246 - 0 - 0.8441
247 - 0 - 0.85129
248 - 0 - 0.85661
249 - 0 - 0.86157
250 - 0 - 0.8666
251 - 0 - 0.8683
252 - 0 - 0.87561
253 - 0 - 0.87925
254 - 0 - 0.89036
255 - 0 - 0.89285
256 - 0 - 0.89888
257 - 0 - 0.90716
258 - 0 - 0.91494
259 - 0 - 0.93349
260 - 0 - 0.94765
261 - 0 - 0.95737
262 - 0 - 0.96866
263 - 0 - 0.97184
264 - 0 - 0.97838
265 - 0 - 0.98399
266 - 0 - 1.00586
267 - 0 - 1.01656
268 - 0 - 1.02066
269 - 0 - 1.03255
270 - 0 - 1.03874
271 - 0 - 1.04787
272 - 0 - 1.05804
273 - 0 - 1.06147
274 - 0 - 1.07885
275 - 0 - 1.09191
276 - 0 - 1.09768
277 - 0 - 1.10461
278 - 0 - 1.11619
279 - 0 - 1.13464
280 - 0 - 1.13885
281 - 0 - 1.14806
282 - 0 - 1.15807
283 - 0 - 1.16503
284 - 0 - 1.16959
285 - 0 - 1.18002
286 - 0 - 1.19114
287 - 0 - 1.20048
288 - 0 - 1.20859
289 - 0 - 1.21325
290 - 0 - 1.22178
291 - 0 - 1.22546
292 - 0 - 1.23348
293 - 0 - 1.24718
294 - 0 - 1.25377
295 - 0 - 1.26015
296 - 0 - 1.27397
297 - 0 - 1.28309
298 - 0 - 1.28537
299 - 0 - 1.29264
300 - 0 - 1.30448
301 - 0 - 1.31679
302 - 0 - 1.3277
303 - 0 - 1.33406
304 - 0 - 1.34018
305 - 0 - 1.3465
306 - 0 - 1.35728
307 - 0 - 1.35833
308 - 0 - 1.36279
309 - 0 - 1.3709
310 - 0 - 1.37766
311 - 0 - 1.38106
312 - 0 - 1.3901
313 - 0 - 1.39303
314 - 0 - 1.40284
315 - 0 - 1.41325
316 - 0 - 1.42187
317 - 0 - 1.43099
318 - 0 - 1.45058
319 - 0 - 1.45538
320 - 0 - 1.47198
321 - 0 - 1.48152
322 - 0 - 1.49744
323 - 0 - 1.51058
324 - 0 - 1.53077
325 - 0 - 1.54197
326 - 0 - 1.54893
327 - 0 - 1.56226
328 - 0 - 1.57348
329 - 0 - 1.58684
330 - 0 - 1.60391
331 - 0 - 1.60837
332 - 0 - 1.63086
333 - 0 - 1.64009
334 - 0 - 1.65359
335 - 0 - 1.66541
336 - 0 - 1.67491
337 - 0 - 1.68862
338 - 0 - 1.69053
339 - 0 - 1.70374
340 - 0 - 1.71576
341 - 0 - 1.72788
342 - 0 - 1.76499
343 - 0 - 1.77413
344 - 0 - 1.78545
345 - 0 - 1.79713
346 - 0 - 1.79906
347 - 0 - 1.80643
348 - 0 - 1.81986
349 - 0 - 1.82901
350 - 0 - 1.84105
351 - 0 - 1.85025
352 - 0 - 1.8622
353 - 0 - 1.86479
354 - 0 - 1.89421
355 - 0 - 1.908
356 - 0 - 1.92549
357 - 0 - 1.95946
358 - 0 - 1.97388
359 - 0 - 1.98449
360 - 0 - 1.98826
361 - 0 - 2.01102
362 - 0 - 2.02028
363 - 0 - 2.02974
364 - 0 - 2.06723
365 - 0 - 2.08528
366 - 0 - 2.10099
367 - 0 - 2.12393
368 - 0 - 2.12754
369 - 0 - 2.13015
370 - 0 - 2.14449
371 - 0 - 2.15376
372 - 0 - 2.17139
373 - 0 - 2.20138
374 - 0 - 2.21009
375 - 0 - 2.22839
376 - 0 - 2.24027
377 - 0 - 2.24648
378 - 0 - 2.26898
379 - 0 - 2.28
380 - 0 - 2.29722
381 - 0 - 2.30893
382 - 0 - 2.31808
383 - 0 - 2.32711
384 - 0 - 2.36122
385 - 0 - 2.36504
386 - 0 - 2.37633
387 - 0 - 2.37979
388 - 0 - 2.38334
389 - 0 - 2.40245
390 - 0 - 2.41224
391 - 0 - 2.43707
392 - 0 - 2.45551
393 - 0 - 2.4806
394 - 0 - 2.51013
395 - 0 - 2.52724
396 - 0 - 2.56547
397 - 0 - 2.5908
398 - 0 - 2.61771
399 - 0 - 2.62547
400 - 0 - 2.64858
401 - 0 - 2.65352
402 - 0 - 2.66102
403 - 0 - 2.66932
404 - 0 - 2.68064
405 - 0 - 2.68306
406 - 0 - 2.6988
407 - 0 - 2.72799
408 - 0 - 2.73684
409 - 0 - 2.74358
410 - 0 - 2.75692
411 - 0 - 2.76398
412 - 0 - 2.77995
413 - 0 - 2.78588
414 - 0 - 2.79367
415 - 0 - 2.79906
416 - 0 - 2.81213
417 - 0 - 2.82899
418 - 0 - 2.84698
419 - 0 - 2.85055
420 - 0 - 2.87459
421 - 0 - 2.87659
422 - 0 - 2.89342
423 - 0 - 2.90783
424 - 0 - 2.91749
425 - 0 - 2.92875
426 - 0 - 2.94418
427 - 0 - 2.95442
428 - 0 - 2.96886
429 - 0 - 2.98894
430 - 0 - 3.01279
431 - 0 - 3.01725
432 - 0 - 3.03569
433 - 0 - 3.06484
434 - 0 - 3.08378
435 - 0 - 3.09616
436 - 0 - 3.10899
437 - 0 - 3.11062
438 - 0 - 3.12806
439 - 0 - 3.13563
440 - 0 - 3.13782
441 - 0 - 3.15693
442 - 0 - 3.16219
443 - 0 - 3.17555
444 - 0 - 3.18654
445 - 0 - 3.19373
446 - 0 - 3.21053
447 - 0 - 3.22614
448 - 0 - 3.23768
449 - 0 - 3.25242
450 - 0 - 3.26332
451 - 0 - 3.28323
452 - 0 - 3.29059
453 - 0 - 3.29409
454 - 0 - 3.30663
455 - 0 - 3.3101
456 - 0 - 3.3299
457 - 0 - 3.3396
458 - 0 - 3.34365
459 - 0 - 3.35146
460 - 0 - 3.37187
461 - 0 - 3.38386
462 - 0 - 3.38811
463 - 0 - 3.39593
464 - 0 - 3.39846
465 - 0 - 3.41738
466 - 0 - 3.4374
467 - 0 - 3.43881
468 - 0 - 3.44445
469 - 0 - 3.45291
470 - 0 - 3.45835
471 - 0 - 3.46182
472 - 0 - 3.4796
473 - 0 - 3.48862
474 - 0 - 3.50783
475 - 0 - 3.52515
476 - 0 - 3.5277
477 - 0 - 3.54224
478 - 0 - 3.54932
479 - 0 - 3.55682
480 - 0 - 3.56427
481 - 0 - 3.58014
482 - 0 - 3.59289
483 - 0 - 3.59592
484 - 0 - 3.60442
485 - 0 - 3.61504
486 - 0 - 3.61899
487 - 0 - 3.62749
488 - 0 - 3.63637
489 - 0 - 3.64269
490 - 0 - 3.6479
491 - 0 - 3.65881
492 - 0 - 3.66623
493 - 0 - 3.67929
494 - 0 - 3.68442
495 - 0 - 3.69748
496 - 0 - 3.70758
497 - 0 - 3.73389
498 - 0 - 3.73945
499 - 0 - 3.74286
500 - 0 - 3.75499
501 - 0 - 3.76581
502 - 0 - 3.78888
503 - 0 - 3.80904
504 - 0 - 3.81591
505 - 0 - 3.82428
506 - 0 - 3.83813
507 - 0 - 3.8415
508 - 0 - 3.86522
509 - 0 - 3.8788
510 - 0 - 3.88304
511 - 0 - 3.92764
512 - 0 - 3.93582
513 - 0 - 3.9409
514 - 0 - 3.96321
515 - 0 - 3.9807
516 - 0 - 3.99043
517 - 0 - 4.00165
518 - 0 - 4.01869
519 - 0 - 4.0584
520 - 0 - 4.0718
521 - 0 - 4.09259
522 - 0 - 4.10963
523 - 0 - 4.12029
524 - 0 - 4.14632
525 - 0 - 4.15638
526 - 0 - 4.16324
527 - 0 - 4.19226
528 - 0 - 4.21453
529 - 0 - 4.22635
530 - 0 - 4.22922
531 - 0 - 4.24857
532 - 0 - 4.34329
533 - 0 - 4.36101
534 - 0 - 4.43596
535 - 0 - 4.45483
536 - 0 - 4.54882
537 - 0 - 4.57044
538 - 0 - 4.66387
539 - 0 - 4.69557
540 - 0 - 4.77088
541 - 0 - 4.83297
542 - 0 - 4.86344
543 - 0 - 4.89045
544 - 0 - 4.99665
545 - 0 - 5.01808
546 - 0 - 5.06192
547 - 0 - 5.1614
548 - 0 - 5.19538
549 - 0 - 5.24441
550 - 0 - 5.28226
551 - 0 - 5.32587
552 - 0 - 5.4267
553 - 0 - 5.43969
554 - 0 - 5.47944
555 - 0 - 5.55922
556 - 0 - 5.63995
557 - 0 - 5.86464
558 - 0 - 6.01149
559 - 0 - 6.85806
560 - 0 - 6.91993
561 - 0 - 6.99047
562 - 0 - 7.03304
563 - 0 - 7.03481
564 - 0 - 7.07813
565 - 0 - 7.31241
566 - 0 - 7.3715
567 - 0 - 7.45301
568 - 0 - 7.52113
569 - 0 - 23.67006
570 - 0 - 23.70734
571 - 0 - 23.95982
572 - 0 - 23.96235
573 - 0 - 23.99229
574 - 0 - 24.03413
575 - 0 - 24.04664
576 - 0 - 24.07208
577 - 0 - 24.10542
578 - 0 - 24.14578
579 - 0 - 24.1503
580 - 0 - 24.16725
581 - 0 - 24.17731
582 - 0 - 24.24564
583 - 0 - 24.27619
584 - 0 - 35.75165
585 - 0 - 50.0056
586 - 0 - 50.0603
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom Symbol Charge
1 C -0.58012  
2 C -0.07904  
3 C -0.18393  
4 C -0.23069  
5 C 0.17404  
6 C -0.26325  
7 C -0.18187  
8 H 0.19758  
9 H 0.20338  
10 N -0.62879  
11 C -0.18593  
12 C -0.07996  
13 C 0.29182  
14 C 0.26381  
15 C -0.27425  
16 C -0.20733  
17 C -0.19656  
18 H 0.20682  
19 H 0.20671  
20 H 0.21150  
21 O -0.57207  
22 C -0.19956  
23 H 0.19062  
24 H 0.17279  
25 H 0.17287  
26 O -0.69737  
27 H 0.49486  
28 H 0.19506  
29 H 0.19144  
30 H 0.37959  
31 H 0.19904  
32 H 0.19878  
33 H 0.20153  
34 H 0.20452  
35 H 0.20395  

Natural Atomic Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 C1 Cor(1S) 1.999305959 - -10.012014204
2 C1 Val(2S) 1.075205755 - -0.228794886
3 C1 Ryd(4S) 0.000561268 - 0.907248666
4 C1 Ryd(3S) 0.000046194 - 0.893099202
5 C1 Ryd(5S) 0.000002684 - 23.011958260
6 C1 Val(2p) 1.080821018 - -0.074228011
7 C1 Ryd(4p) 0.001017092 - 0.552777716
8 C1 Ryd(3p) 0.000301770 - 0.277640674
9 C1 Ryd(5p) 0.000102169 - 3.272055087
10 C1 Val(2p) 1.207727479 - -0.083041152
11 C1 Ryd(4p) 0.002349537 - 0.591099795
12 C1 Ryd(3p) 0.000087601 - 0.248291444
13 C1 Ryd(5p) 0.000038542 - 3.272351004
14 C1 Val(2p) 1.205767621 - -0.083377901
15 C1 Ryd(4p) 0.001516166 - 0.572370422
16 C1 Ryd(3p) 0.000075573 - 0.241094099
17 C1 Ryd(5p) 0.000040677 - 3.233657287
18 C1 Ryd(3d) 0.000471976 - 1.773531674
19 C1 Ryd(4d) 0.000076148 - 2.871337965
20 C1 Ryd(3d) 0.000806185 - 1.790937142
21 C1 Ryd(4d) 0.000051804 - 2.871811807
22 C1 Ryd(3d) 0.001001818 - 1.849718030
23 C1 Ryd(4d) 0.000038037 - 2.989203352
24 C1 Ryd(3d) 0.001461180 - 1.965561363
25 C1 Ryd(4d) 0.000076213 - 3.137764960
26 C1 Ryd(3d) 0.001092887 - 1.805793619
27 C1 Ryd(4d) 0.000074312 - 2.921143913
28 C2 Cor(1S) 1.999020879 - -10.014462347
29 C2 Val(2S) 0.883159794 - -0.117617782
30 C2 Ryd(3S) 0.000555426 - 1.068441228
31 C2 Ryd(4S) 0.000180371 - 1.277033809
32 C2 Ryd(5S) 0.000009748 - 21.446532601
33 C2 Val(2p) 1.058818207 - -0.039876274
34 C2 Ryd(4p) 0.005930428 - 1.311028081
35 C2 Ryd(3p) 0.000328221 - 0.824316297
36 C2 Ryd(5p) 0.000103529 - 3.405116640
37 C2 Val(2p) 1.067304616 - -0.050754317
38 C2 Ryd(4p) 0.002883078 - 0.870424710
39 C2 Ryd(3p) 0.000434750 - 0.572773692
40 C2 Ryd(5p) 0.000130978 - 3.294144648
41 C2 Val(2p) 1.052179377 - -0.064345123
42 C2 Ryd(4p) 0.002436781 - 0.750223333
43 C2 Ryd(3p) 0.000417376 - 0.550823296
44 C2 Ryd(5p) 0.000106035 - 3.023759148
45 C2 Ryd(3d) 0.000554554 - 1.665965380
46 C2 Ryd(4d) 0.000688960 - 3.677316663
47 C2 Ryd(3d) 0.000454934 - 1.476255343
48 C2 Ryd(4d) 0.000478726 - 3.567697175
49 C2 Ryd(3d) 0.000992736 - 2.042800234
50 C2 Ryd(4d) 0.000350170 - 3.513015925
51 C2 Ryd(3d) 0.000425803 - 1.712352804
52 C2 Ryd(4d) 0.000550799 - 3.651212897
53 C2 Ryd(3d) 0.000290679 - 1.374038065
54 C2 Ryd(4d) 0.000249666 - 3.466355031
55 C3 Cor(1S) 1.999050819 - -10.008515547
56 C3 Val(2S) 0.934374544 - -0.135847007
57 C3 Ryd(3S) 0.001113998 - 1.389327202
58 C3 Ryd(4S) 0.000099699 - 1.612696581
59 C3 Ryd(5S) 0.000013539 - 20.605349607
60 C3 Val(2p) 1.084987927 - -0.033893705
61 C3 Ryd(4p) 0.004347133 - 0.988776771
62 C3 Ryd(3p) 0.000324240 - 0.617470238
63 C3 Ryd(5p) 0.000135066 - 3.480448715
64 C3 Val(2p) 1.099540503 - -0.055965261
65 C3 Ryd(4p) 0.004205075 - 0.924446408
66 C3 Ryd(3p) 0.000377328 - 0.447093967
67 C3 Ryd(5p) 0.000059999 - 3.190191893
68 C3 Val(2p) 1.047260841 - -0.071244274
69 C3 Ryd(4p) 0.002537003 - 0.731366054
70 C3 Ryd(3p) 0.000431205 - 0.417207477
71 C3 Ryd(5p) 0.000038646 - 3.021988019
72 C3 Ryd(3d) 0.000620523 - 1.874449865
73 C3 Ryd(4d) 0.000506880 - 3.402426390
74 C3 Ryd(3d) 0.000584288 - 1.787308556
75 C3 Ryd(4d) 0.000367973 - 3.263859335
76 C3 Ryd(3d) 0.001072607 - 1.755730756
77 C3 Ryd(4d) 0.000202737 - 3.327965365
78 C3 Ryd(3d) 0.000744743 - 2.094418866
79 C3 Ryd(4d) 0.000293155 - 3.468364970
80 C3 Ryd(3d) 0.000565883 - 1.633629757
81 C3 Ryd(4d) 0.000072549 - 3.135801777
82 C4 Cor(1S) 1.999060569 - -10.009577425
83 C4 Val(2S) 0.935034908 - -0.142728477
84 C4 Ryd(4S) 0.001348399 - 1.282933934
85 C4 Ryd(3S) 0.000083530 - 0.647700165
86 C4 Ryd(5S) 0.000019079 - 21.629689974
87 C4 Val(2p) 1.100962562 - -0.040746193
88 C4 Ryd(4p) 0.004543465 - 1.087582196
89 C4 Ryd(3p) 0.000340717 - 0.582484776
90 C4 Ryd(5p) 0.000141573 - 3.381165142
91 C4 Val(2p) 1.092145137 - -0.058316909
92 C4 Ryd(4p) 0.003683674 - 0.926959217
93 C4 Ryd(3p) 0.000377508 - 0.456553602
94 C4 Ryd(5p) 0.000088343 - 3.164983058
95 C4 Val(2p) 1.084614025 - -0.074913235
96 C4 Ryd(4p) 0.002715401 - 0.789553538
97 C4 Ryd(3p) 0.000402126 - 0.445744404
98 C4 Ryd(5p) 0.000052038 - 3.028557010
99 C4 Ryd(3d) 0.000727499 - 1.927059841
100 C4 Ryd(4d) 0.000538174 - 3.520403466
101 C4 Ryd(3d) 0.000476921 - 1.585641699
102 C4 Ryd(4d) 0.000363036 - 3.382077552
103 C4 Ryd(3d) 0.001194755 - 1.688347334
104 C4 Ryd(4d) 0.000149646 - 3.461916160
105 C4 Ryd(3d) 0.000641804 - 1.976797236
106 C4 Ryd(4d) 0.000261222 - 3.551032959
107 C4 Ryd(3d) 0.000654200 - 1.555307068
108 C4 Ryd(4d) 0.000071726 - 3.255490307
109 C5 Cor(1S) 1.998993902 - -10.056055229
110 C5 Val(2S) 0.831927262 - -0.104449287
111 C5 Ryd(3S) 0.000903095 - 1.134987802
112 C5 Ryd(4S) 0.000203191 - 1.562309967
113 C5 Ryd(5S) 0.000014288 - 20.286720679
114 C5 Val(2p) 0.900613833 - -0.014234157
115 C5 Ryd(4p) 0.006032093 - 1.187872797
116 C5 Ryd(3p) 0.000121133 - 0.689035738
117 C5 Ryd(5p) 0.000101738 - 3.504432645
118 C5 Val(2p) 1.054047110 - -0.063400964
119 C5 Ryd(4p) 0.003297678 - 1.040109386
120 C5 Ryd(3p) 0.000165163 - 0.563469511
121 C5 Ryd(5p) 0.000120720 - 3.209506429
122 C5 Val(2p) 1.020235062 - -0.075647186
123 C5 Ryd(4p) 0.002843564 - 0.866490160
124 C5 Ryd(3p) 0.000355538 - 0.500406658
125 C5 Ryd(5p) 0.000071828 - 3.074749663
126 C5 Ryd(3d) 0.000699692 - 2.341583056
127 C5 Ryd(4d) 0.000439237 - 3.326886566
128 C5 Ryd(3d) 0.000768669 - 2.232039969
129 C5 Ryd(4d) 0.000463377 - 3.072406603
130 C5 Ryd(3d) 0.001033715 - 2.579499983
131 C5 Ryd(4d) 0.000563216 - 3.074151900
132 C5 Ryd(3d) 0.000684440 - 2.228861390
133 C5 Ryd(4d) 0.000532962 - 3.289008466
134 C5 Ryd(3d) 0.000518036 - 2.040124764
135 C5 Ryd(4d) 0.000204948 - 2.870400811
136 C6 Cor(1S) 1.999058643 - -10.007834874
137 C6 Val(2S) 0.934220625 - -0.140364372
138 C6 Ryd(4S) 0.001333421 - 1.265832586
139 C6 Ryd(3S) 0.000115066 - 0.773183830
140 C6 Ryd(5S) 0.000018348 - 21.528641301
141 C6 Val(2p) 1.093643740 - -0.039119299
142 C6 Ryd(4p) 0.003239854 - 1.162228314
143 C6 Ryd(3p) 0.000374561 - 0.724713476
144 C6 Ryd(5p) 0.000158784 - 3.339940384
145 C6 Val(2p) 1.124594289 - -0.058366753
146 C6 Ryd(4p) 0.004187231 - 0.908985160
147 C6 Ryd(3p) 0.000509772 - 0.556238868
148 C6 Ryd(5p) 0.000070105 - 3.217721196
149 C6 Val(2p) 1.093098036 - -0.073845637
150 C6 Ryd(4p) 0.003146391 - 0.736316952
151 C6 Ryd(3p) 0.000547080 - 0.505727365
152 C6 Ryd(5p) 0.000076331 - 3.036295530
153 C6 Ryd(3d) 0.000639669 - 1.866222808
154 C6 Ryd(4d) 0.000461042 - 3.471335045
155 C6 Ryd(3d) 0.000487373 - 1.767931116
156 C6 Ryd(4d) 0.000361949 - 3.342561103
157 C6 Ryd(3d) 0.001134515 - 1.774999056
158 C6 Ryd(4d) 0.000187790 - 3.405969287
159 C6 Ryd(3d) 0.000613552 - 2.101796610
160 C6 Ryd(4d) 0.000297437 - 3.505867594
161 C6 Ryd(3d) 0.000615107 - 1.595335655
162 C6 Ryd(4d) 0.000062719 - 3.209326803
163 C7 Cor(1S) 1.999052761 - -10.007956120
164 C7 Val(2S) 0.933790788 - -0.134745799
165 C7 Ryd(3S) 0.001095150 - 1.493005014
166 C7 Ryd(4S) 0.000120127 - 1.647897535
167 C7 Ryd(5S) 0.000012758 - 20.314391407
168 C7 Val(2p) 1.087223604 - -0.031349718
169 C7 Ryd(4p) 0.004413342 - 1.002563220
170 C7 Ryd(3p) 0.000359615 - 0.618783543
171 C7 Ryd(5p) 0.000132773 - 3.483023820
172 C7 Val(2p) 1.085501102 - -0.053954141
173 C7 Ryd(4p) 0.003955325 - 0.861781812
174 C7 Ryd(3p) 0.000360412 - 0.481575014
175 C7 Ryd(5p) 0.000072932 - 3.193373189
176 C7 Val(2p) 1.057358525 - -0.070381601
177 C7 Ryd(4p) 0.002890260 - 0.750363499
178 C7 Ryd(3p) 0.000423755 - 0.414152820
179 C7 Ryd(5p) 0.000046300 - 3.040648070
180 C7 Ryd(3d) 0.000622701 - 2.019311345
181 C7 Ryd(4d) 0.000568485 - 3.441642613
182 C7 Ryd(3d) 0.000464341 - 1.694413797
183 C7 Ryd(4d) 0.000374560 - 3.251950551
184 C7 Ryd(3d) 0.001086317 - 1.775021471
185 C7 Ryd(4d) 0.000208836 - 3.340486662
186 C7 Ryd(3d) 0.000833177 - 2.092879878
187 C7 Ryd(4d) 0.000207046 - 3.477374221
188 C7 Ryd(3d) 0.000618565 - 1.682986240
189 C7 Ryd(4d) 0.000076301 - 3.136232814
190 H8 Val(1S) 0.800869860 - 0.059216913
191 H8 Ryd(2S) 0.000750784 - 1.302780667
192 H8 Ryd(3S) 0.000134069 - 1.842196280
193 H8 Ryd(2p) 0.000141394 - 2.695778875
194 H8 Ryd(2p) 0.000263399 - 2.514813268
195 H8 Ryd(2p) 0.000265378 - 2.301023844
196 H9 Val(1S) 0.794969277 - 0.058461759
197 H9 Ryd(2S) 0.000803850 - 1.322496904
198 H9 Ryd(3S) 0.000131630 - 1.773011465
199 H9 Ryd(2p) 0.000110989 - 2.701646015
200 H9 Ryd(2p) 0.000326160 - 2.565815744
201 H9 Ryd(2p) 0.000275985 - 2.297844981
202 N10 Cor(1S) 1.999334806 - -14.141632554
203 N10 Val(2S) 1.275002738 - -0.515675087
204 N10 Ryd(4S) 0.001265837 - 1.763688531
205 N10 Ryd(3S) 0.000151428 - 1.035161597
206 N10 Ryd(5S) 0.000001920 - 35.317059338
207 N10 Val(2p) 1.269203241 - -0.200091662
208 N10 Ryd(3p) 0.002296691 - 0.899152379
209 N10 Ryd(4p) 0.000890363 - 0.945695016
210 N10 Ryd(5p) 0.000059002 - 4.411091428
211 N10 Val(2p) 1.440064267 - -0.202698416
212 N10 Ryd(4p) 0.003243672 - 0.918531778
213 N10 Ryd(3p) 0.001222805 - 0.690934225
214 N10 Ryd(5p) 0.000035144 - 4.267827518
215 N10 Val(2p) 1.620646286 - -0.222512270
216 N10 Ryd(3p) 0.005221266 - 0.606149361
217 N10 Ryd(4p) 0.000989977 - 0.657311454
218 N10 Ryd(5p) 0.000035686 - 4.070182474
219 N10 Ryd(3d) 0.000942126 - 1.689567479
220 N10 Ryd(4d) 0.000172297 - 5.092595039
221 N10 Ryd(3d) 0.001269043 - 1.637331449
222 N10 Ryd(4d) 0.000121730 - 5.082804757
223 N10 Ryd(3d) 0.002064136 - 1.521774899
224 N10 Ryd(4d) 0.000076428 - 4.963787414
225 N10 Ryd(3d) 0.002082942 - 1.793586922
226 N10 Ryd(4d) 0.000108527 - 5.119103192
227 N10 Ryd(3d) 0.002195482 - 1.595447409
228 N10 Ryd(4d) 0.000090152 - 5.074114415
229 C11 Cor(1S) 1.999200475 - -10.066597720
230 C11 Val(2S) 0.990771540 - -0.210458424
231 C11 Ryd(4S) 0.003127693 - 1.093189716
232 C11 Ryd(3S) 0.000194269 - 0.952898975
233 C11 Ryd(5S) 0.000008591 - 23.111574495
234 C11 Val(2p) 0.995377119 - -0.077462174
235 C11 Ryd(4p) 0.002958529 - 0.933606142
236 C11 Ryd(3p) 0.000381825 - 0.735980853
237 C11 Ryd(5p) 0.000114194 - 3.097792572
238 C11 Val(2p) 1.106037014 - -0.089456119
239 C11 Ryd(4p) 0.004826331 - 0.756128349
240 C11 Ryd(3p) 0.000473311 - 0.621617055
241 C11 Ryd(5p) 0.000091991 - 3.248038360
242 C11 Val(2p) 1.072862572 - -0.085916088
243 C11 Ryd(4p) 0.002634305 - 0.651191996
244 C11 Ryd(3p) 0.000585154 - 0.575100602
245 C11 Ryd(5p) 0.000127763 - 3.109767376
246 C11 Ryd(3d) 0.000591115 - 2.030456673
247 C11 Ryd(4d) 0.000243267 - 2.968218463
248 C11 Ryd(3d) 0.000955516 - 1.997723940
249 C11 Ryd(4d) 0.000156476 - 2.907085181
250 C11 Ryd(3d) 0.001127067 - 1.982955578
251 C11 Ryd(4d) 0.000162037 - 2.907443511
252 C11 Ryd(3d) 0.001130223 - 2.139230154
253 C11 Ryd(4d) 0.000162020 - 3.205597497
254 C11 Ryd(3d) 0.001399395 - 2.081530038
255 C11 Ryd(4d) 0.000229790 - 3.042586375
256 C12 Cor(1S) 1.998948891 - -10.037445779
257 C12 Val(2S) 0.879702937 - -0.138907200
258 C12 Ryd(3S) 0.001194599 - 1.044099651
259 C12 Ryd(4S) 0.000082268 - 1.320655356
260 C12 Ryd(5S) 0.000019287 - 21.559882470
261 C12 Val(2p) 1.059285264 - -0.066892808
262 C12 Ryd(4p) 0.005908623 - 1.263721873
263 C12 Ryd(3p) 0.000286645 - 0.765993974
264 C12 Ryd(5p) 0.000106019 - 3.629987367
265 C12 Val(2p) 1.080586409 - -0.067317828
266 C12 Ryd(4p) 0.004393726 - 1.113670318
267 C12 Ryd(3p) 0.000363636 - 0.691506216
268 C12 Ryd(5p) 0.000147602 - 3.680890458
269 C12 Val(2p) 1.040096140 - -0.100814945
270 C12 Ryd(4p) 0.002667682 - 0.694828720
271 C12 Ryd(3p) 0.000414527 - 0.553188128
272 C12 Ryd(5p) 0.000063101 - 2.970531733
273 C12 Ryd(3d) 0.000590764 - 1.957994218
274 C12 Ryd(4d) 0.000760842 - 3.782090905
275 C12 Ryd(3d) 0.000765141 - 1.376210604
276 C12 Ryd(4d) 0.000291156 - 3.537232690
277 C12 Ryd(3d) 0.000425909 - 1.491215589
278 C12 Ryd(4d) 0.000261908 - 3.487964513
279 C12 Ryd(3d) 0.000735931 - 2.032054020
280 C12 Ryd(4d) 0.000624743 - 3.651322132
281 C12 Ryd(3d) 0.001121862 - 1.724976937
282 C12 Ryd(4d) 0.000115417 - 3.554961018
283 C13 Cor(1S) 1.998463931 - -10.103738160
284 C13 Val(2S) 0.809257355 - -0.147084028
285 C13 Ryd(3S) 0.002098124 - 0.888852635
286 C13 Ryd(4S) 0.000053284 - 21.164433269
287 C13 Val(2p) 1.015129549 - -0.065599841
288 C13 Ryd(4p) 0.005817467 - 1.519213081
289 C13 Ryd(3p) 0.000309779 - 0.698906306
290 C13 Ryd(5p) 0.000201684 - 3.009833649
291 C13 Val(2p) 0.877787158 - -0.066310313
292 C13 Ryd(4p) 0.006233254 - 1.114999649
293 C13 Ryd(3p) 0.000290272 - 0.583247012
294 C13 Ryd(5p) 0.000239074 - 3.219848085
295 C13 Val(2p) 0.982564830 - -0.116947630
296 C13 Ryd(4p) 0.001493129 - 0.698931631
297 C13 Ryd(3p) 0.000437356 - 0.483469357
298 C13 Ryd(5p) 0.000069357 - 2.834999656
299 C13 Ryd(3d) 0.001004129 - 2.196756747
300 C13 Ryd(4d) 0.000726207 - 3.767428596
301 C13 Ryd(3d) 0.000586077 - 1.645069555
302 C13 Ryd(4d) 0.000211689 - 3.222747328
303 C13 Ryd(3d) 0.001324869 - 1.602878146
304 C13 Ryd(4d) 0.000222328 - 3.241157145
305 C13 Ryd(3d) 0.000805502 - 2.477915064
306 C13 Ryd(4d) 0.000605962 - 3.789377361
307 C13 Ryd(3d) 0.001993140 - 1.773433223
308 C13 Ryd(4d) 0.000253723 - 3.233545997
309 C14 Cor(1S) 1.998698888 - -10.107391647
310 C14 Val(2S) 0.822709003 - -0.141513249
311 C14 Ryd(4S) 0.001371695 - 1.236550150
312 C14 Ryd(3S) 0.000046992 - 0.809485594
313 C14 Ryd(5S) 0.000040069 - 20.551770446
314 C14 Val(2p) 1.012183731 - -0.079272411
315 C14 Ryd(4p) 0.003526681 - 1.243215452
316 C14 Ryd(3p) 0.000306908 - 0.833605346
317 C14 Ryd(5p) 0.000240538 - 2.946731263
318 C14 Val(2p) 0.841004529 - -0.053174237
319 C14 Ryd(4p) 0.007075760 - 1.207942562
320 C14 Ryd(3p) 0.000194241 - 0.826260480
321 C14 Ryd(5p) 0.000209452 - 3.045860421
322 C14 Val(2p) 1.039310692 - -0.124467238
323 C14 Ryd(4p) 0.001329288 - 0.705408438
324 C14 Ryd(3p) 0.000614336 - 0.586211693
325 C14 Ryd(5p) 0.000042047 - 2.650506298
326 C14 Ryd(3d) 0.001123610 - 2.266359674
327 C14 Ryd(4d) 0.000646863 - 3.458579840
328 C14 Ryd(3d) 0.001030801 - 1.988558432
329 C14 Ryd(4d) 0.000180937 - 2.851317518
330 C14 Ryd(3d) 0.001158168 - 1.944539772
331 C14 Ryd(4d) 0.000236128 - 2.900700257
332 C14 Ryd(3d) 0.001079007 - 2.423368052
333 C14 Ryd(4d) 0.000606723 - 3.479994418
334 C14 Ryd(3d) 0.000999087 - 2.209612331
335 C14 Ryd(4d) 0.000221944 - 3.105215363
336 C15 Cor(1S) 1.999057584 - -10.035201418
337 C15 Val(2S) 0.942977892 - -0.169147433
338 C15 Ryd(4S) 0.001239511 - 1.387479591
339 C15 Ryd(3S) 0.000081894 - 0.823100911
340 C15 Ryd(5S) 0.000016773 - 21.471632779
341 C15 Val(2p) 1.173944974 - -0.071497718
342 C15 Ryd(4p) 0.004338655 - 1.234054947
343 C15 Ryd(3p) 0.000405379 - 0.522817152
344 C15 Ryd(5p) 0.000078788 - 3.372051061
345 C15 Val(2p) 1.069481663 - -0.069415388
346 C15 Ryd(4p) 0.003249883 - 0.924659174
347 C15 Ryd(3p) 0.000507091 - 0.688993150
348 C15 Ryd(5p) 0.000176078 - 3.287161164
349 C15 Val(2p) 1.070643375 - -0.115592342
350 C15 Ryd(4p) 0.002046282 - 0.568811057
351 C15 Ryd(3p) 0.000540935 - 0.392065211
352 C15 Ryd(5p) 0.000039927 - 2.837716950
353 C15 Ryd(3d) 0.000848041 - 2.091117823
354 C15 Ryd(4d) 0.000239494 - 3.590507997
355 C15 Ryd(3d) 0.000592803 - 1.386968149
356 C15 Ryd(4d) 0.000125279 - 3.147399319
357 C15 Ryd(3d) 0.000669029 - 1.654418353
358 C15 Ryd(4d) 0.000178183 - 3.247430870
359 C15 Ryd(3d) 0.000690362 - 2.093165864
360 C15 Ryd(4d) 0.000800177 - 3.605270338
361 C15 Ryd(3d) 0.001235476 - 1.706186646
362 C15 Ryd(4d) 0.000048376 - 3.307513739
363 C16 Cor(1S) 1.999168160 - -10.028909347
364 C16 Val(2S) 0.940397500 - -0.161992947
365 C16 Ryd(4S) 0.001399456 - 1.306100457
366 C16 Ryd(3S) 0.000083574 - 1.293111646
367 C16 Ryd(5S) 0.000007175 - 20.875916386
368 C16 Val(2p) 1.083257754 - -0.051954291
369 C16 Ryd(4p) 0.005290839 - 0.847812933
370 C16 Ryd(3p) 0.000332795 - 0.620111474
371 C16 Ryd(5p) 0.000148176 - 3.318107079
372 C16 Val(2p) 1.123133248 - -0.056038534
373 C16 Ryd(4p) 0.005696541 - 1.035098052
374 C16 Ryd(3p) 0.000315592 - 0.514611786
375 C16 Ryd(5p) 0.000086181 - 3.305023032
376 C16 Val(2p) 1.040759315 - -0.103408871
377 C16 Ryd(4p) 0.001893094 - 0.581667864
378 C16 Ryd(3p) 0.000332557 - 0.370158580
379 C16 Ryd(5p) 0.000027839 - 2.822729180
380 C16 Ryd(3d) 0.000678650 - 2.173722008
381 C16 Ryd(4d) 0.000635435 - 3.569016359
382 C16 Ryd(3d) 0.000403891 - 1.486245771
383 C16 Ryd(4d) 0.000205866 - 3.179255112
384 C16 Ryd(3d) 0.000528022 - 1.415708456
385 C16 Ryd(4d) 0.000197674 - 3.155119658
386 C16 Ryd(3d) 0.000698481 - 2.031364831
387 C16 Ryd(4d) 0.000451975 - 3.543486476
388 C16 Ryd(3d) 0.001129436 - 1.737425265
389 C16 Ryd(4d) 0.000071148 - 3.246795195
390 C17 Cor(1S) 1.999067249 - -10.024339774
391 C17 Val(2S) 0.934395514 - -0.152620559
392 C17 Ryd(4S) 0.001300918 - 1.517181116
393 C17 Ryd(3S) 0.000077062 - 1.000778923
394 C17 Ryd(5S) 0.000013847 - 21.150920809
395 C17 Val(2p) 1.093457820 - -0.053836157
396 C17 Ryd(4p) 0.004854959 - 0.979844776
397 C17 Ryd(3p) 0.000390690 - 0.521093624
398 C17 Ryd(5p) 0.000133738 - 3.527226121
399 C17 Val(2p) 1.130214583 - -0.054515141
400 C17 Ryd(4p) 0.005043825 - 1.085662589
401 C17 Ryd(3p) 0.000360615 - 0.459905047
402 C17 Ryd(5p) 0.000084093 - 3.384668504
403 C17 Val(2p) 1.019973612 - -0.100397074
404 C17 Ryd(4p) 0.001621814 - 0.583229216
405 C17 Ryd(3p) 0.000475866 - 0.380356609
406 C17 Ryd(5p) 0.000042168 - 2.900213427
407 C17 Ryd(3d) 0.000615789 - 2.026032708
408 C17 Ryd(4d) 0.000743902 - 3.606680536
409 C17 Ryd(3d) 0.000444865 - 1.596901046
410 C17 Ryd(4d) 0.000244614 - 3.215051067
411 C17 Ryd(3d) 0.000664836 - 1.514567678
412 C17 Ryd(4d) 0.000086507 - 3.195452836
413 C17 Ryd(3d) 0.000745859 - 2.054350400
414 C17 Ryd(4d) 0.000355305 - 3.605322318
415 C17 Ryd(3d) 0.001067089 - 1.678572004
416 C17 Ryd(4d) 0.000083804 - 3.315930394
417 H18 Val(1S) 0.791737131 - 0.049691196
418 H18 Ryd(2S) 0.000618250 - 1.359428205
419 H18 Ryd(3S) 0.000153420 - 1.763340540
420 H18 Ryd(2p) 0.000152608 - 2.671395909
421 H18 Ryd(2p) 0.000321238 - 2.801510512
422 H18 Ryd(2p) 0.000195440 - 2.046761799
423 H19 Val(1S) 0.791831823 - 0.047138022
424 H19 Ryd(2S) 0.000623140 - 1.072932957
425 H19 Ryd(3S) 0.000156030 - 2.008585355
426 H19 Ryd(2p) 0.000129524 - 2.621502753
427 H19 Ryd(2p) 0.000306380 - 2.752947230
428 H19 Ryd(2p) 0.000243181 - 2.036637036
429 H20 Val(1S) 0.786871215 - 0.035792651
430 H20 Ryd(2S) 0.000764335 - 1.161425483
431 H20 Ryd(3S) 0.000148263 - 1.803344346
432 H20 Ryd(2p) 0.000405646 - 2.891451179
433 H20 Ryd(2p) 0.000060314 - 2.555688066
434 H20 Ryd(2p) 0.000247217 - 2.025584623
435 O21 Cor(1S) 1.999707933 - -18.977612679
436 O21 Val(2S) 1.591574722 - -0.889369255
437 O21 Ryd(4S) 0.002098733 - 1.628784958
438 O21 Ryd(3S) 0.000049135 - 1.192887167
439 O21 Ryd(5S) 0.000000440 - 49.368736313
440 O21 Val(2p) 1.492112224 - -0.337939191
441 O21 Ryd(4p) 0.002171128 - 1.283372014
442 O21 Ryd(3p) 0.000597190 - 1.016440203
443 O21 Ryd(5p) 0.000034682 - 5.090662775
444 O21 Val(2p) 1.622614591 - -0.348280560
445 O21 Ryd(3p) 0.003373018 - 0.683070376
446 O21 Ryd(4p) 0.000972449 - 0.824183297
447 O21 Ryd(5p) 0.000075278 - 5.002633470
448 O21 Val(2p) 1.847460910 - -0.338686623
449 O21 Ryd(3p) 0.004229942 - 0.556173170
450 O21 Ryd(4p) 0.000593211 - 0.760227085
451 O21 Ryd(5p) 0.000011717 - 4.955291063
452 O21 Ryd(3d) 0.000802473 - 2.570366215
453 O21 Ryd(4d) 0.000061769 - 7.223104581
454 O21 Ryd(3d) 0.000599130 - 2.196616268
455 O21 Ryd(4d) 0.000037718 - 6.826687200
456 O21 Ryd(3d) 0.000821114 - 2.281748626
457 O21 Ryd(4d) 0.000011980 - 6.825750487
458 O21 Ryd(3d) 0.001183469 - 2.695562967
459 O21 Ryd(4d) 0.000036951 - 7.355468235
460 O21 Ryd(3d) 0.000815844 - 2.366330318
461 O21 Ryd(4d) 0.000023042 - 6.888827027
462 C22 Cor(1S) 1.999258646 - -10.117445273
463 C22 Val(2S) 1.081148349 - -0.290185932
464 C22 Ryd(4S) 0.002199058 - 0.891735106
465 C22 Ryd(3S) 0.000039349 - 0.835330315
466 C22 Ryd(5S) 0.000004124 - 23.239087587
467 C22 Val(2p) 0.735549953 - -0.093100562
468 C22 Ryd(3p) 0.003161239 - 0.561321746
469 C22 Ryd(4p) 0.000184689 - 1.173546946
470 C22 Ryd(5p) 0.000046980 - 1.972079306
471 C22 Val(2p) 1.194980335 - -0.131201617
472 C22 Ryd(3p) 0.002155124 - 0.763378209
473 C22 Ryd(4p) 0.000370478 - 1.250471530
474 C22 Ryd(5p) 0.000039545 - 1.959360981
475 C22 Val(2p) 1.172743935 - -0.127121309
476 C22 Ryd(3p) 0.000753808 - 0.574424418
477 C22 Ryd(4p) 0.000553260 - 1.177854003
478 C22 Ryd(5p) 0.000040441 - 1.988791555
479 C22 Ryd(3d) 0.001231610 - 2.336393733
480 C22 Ryd(4d) 0.000103970 - 2.678703238
481 C22 Ryd(3d) 0.001554929 - 2.314624149
482 C22 Ryd(4d) 0.000166566 - 2.399360857
483 C22 Ryd(3d) 0.000421810 - 2.348213847
484 C22 Ryd(4d) 0.000284437 - 2.541702651
485 C22 Ryd(3d) 0.001372724 - 2.545613051
486 C22 Ryd(4d) 0.000150493 - 2.714643743
487 C22 Ryd(3d) 0.000903411 - 2.486011978
488 C22 Ryd(4d) 0.000135810 - 2.669138258
489 H23 Val(1S) 0.808203176 - -0.000736770
490 H23 Ryd(2S) 0.000348849 - 0.478689922
491 H23 Ryd(3S) 0.000119646 - 2.235116090
492 H23 Ryd(2p) 0.000063330 - 1.919904607
493 H23 Ryd(2p) 0.000494667 - 2.684011875
494 H23 Ryd(2p) 0.000151099 - 1.834276676
495 H24 Val(1S) 0.824752579 - -0.011841383
496 H24 Ryd(2S) 0.001551156 - 0.519781977
497 H24 Ryd(3S) 0.000150839 - 2.271653887
498 H24 Ryd(2p) 0.000088620 - 1.901754715
499 H24 Ryd(2p) 0.000164968 - 1.871468359
500 H24 Ryd(2p) 0.000497561 - 2.696311816
501 H25 Val(1S) 0.824663646 - -0.011868203
502 H25 Ryd(2S) 0.001568469 - 0.520372952
503 H25 Ryd(3S) 0.000149928 - 2.269575902
504 H25 Ryd(2p) 0.000152127 - 2.180191089
505 H25 Ryd(2p) 0.000298414 - 2.157259566
506 H25 Ryd(2p) 0.000298597 - 2.131997672
507 O26 Cor(1S) 1.999754569 - -18.945319961
508 O26 Val(2S) 1.655623456 - -0.921814033
509 O26 Ryd(4S) 0.000253952 - 2.438825014
510 O26 Ryd(3S) 0.000130373 - 1.387823320
511 O26 Ryd(5S) 0.000000380 - 49.461461021
512 O26 Val(2p) 1.724993879 - -0.335086965
513 O26 Ryd(3p) 0.001289273 - 0.884755815
514 O26 Ryd(4p) 0.000351829 - 1.282127143
515 O26 Ryd(5p) 0.000050350 - 5.285354826
516 O26 Val(2p) 1.456344140 - -0.316496577
517 O26 Ryd(3p) 0.001992674 - 0.694930972
518 O26 Ryd(4p) 0.000125306 - 1.164541118
519 O26 Ryd(5p) 0.000036610 - 5.392134711
520 O26 Val(2p) 1.837536362 - -0.329841005
521 O26 Ryd(3p) 0.003365088 - 0.521798452
522 O26 Ryd(4p) 0.000162126 - 1.025414575
523 O26 Ryd(5p) 0.000007475 - 4.998778239
524 O26 Ryd(3d) 0.005335345 - 2.103813656
525 O26 Ryd(4d) 0.000039211 - 7.033778307
526 O26 Ryd(3d) 0.003571274 - 1.614826353
527 O26 Ryd(4d) 0.000022353 - 6.822823483
528 O26 Ryd(3d) 0.000818975 - 1.737324839
529 O26 Ryd(4d) 0.000016832 - 6.890601952
530 O26 Ryd(3d) 0.002748527 - 1.849962917
531 O26 Ryd(4d) 0.000034088 - 7.009190368
532 O26 Ryd(3d) 0.002751958 - 1.817406019
533 O26 Ryd(4d) 0.000012949 - 6.899207899
534 H27 Val(1S) 0.502437622 - 0.109685179
535 H27 Ryd(3S) 0.001155172 - 2.029343406
536 H27 Ryd(2S) 0.000112147 - 1.028404882
537 H27 Ryd(2p) 0.000395151 - 2.528570388
538 H27 Ryd(2p) 0.000348675 - 2.684189699
539 H27 Ryd(2p) 0.000695127 - 1.973473067
540 H28 Val(1S) 0.802969162 - 0.029703485
541 H28 Ryd(2S) 0.001224718 - 0.876291555
542 H28 Ryd(3S) 0.000207589 - 2.094591196
543 H28 Ryd(2p) 0.000128640 - 2.445285459
544 H28 Ryd(2p) 0.000338346 - 2.920443753
545 H28 Ryd(2p) 0.000072390 - 2.175574819
546 H29 Val(1S) 0.805184557 - 0.030497743
547 H29 Ryd(2S) 0.002582313 - 0.765220005
548 H29 Ryd(3S) 0.000200450 - 2.283453417
549 H29 Ryd(2p) 0.000149663 - 2.336177551
550 H29 Ryd(2p) 0.000119457 - 2.253322456
551 H29 Ryd(2p) 0.000319611 - 2.962913387
552 H30 Val(1S) 0.616504056 - 0.097860235
553 H30 Ryd(2S) 0.002377111 - 0.793535363
554 H30 Ryd(3S) 0.000329078 - 2.342710776
555 H30 Ryd(2p) 0.000238878 - 2.477373419
556 H30 Ryd(2p) 0.000356719 - 2.837224844
557 H30 Ryd(2p) 0.000599599 - 2.194822999
558 H31 Val(1S) 0.799298366 - 0.051492213
559 H31 Ryd(2S) 0.000832848 - 1.403526948
560 H31 Ryd(3S) 0.000130058 - 1.712708216
561 H31 Ryd(2p) 0.000137918 - 2.705839751
562 H31 Ryd(2p) 0.000272598 - 2.503607980
563 H31 Ryd(2p) 0.000292096 - 2.305846084
564 H32 Val(1S) 0.799752128 - 0.057668788
565 H32 Ryd(2S) 0.000659069 - 1.281902229
566 H32 Ryd(3S) 0.000137163 - 1.830538605
567 H32 Ryd(2p) 0.000124479 - 2.670628931
568 H32 Ryd(2p) 0.000314275 - 2.563083002
569 H32 Ryd(2p) 0.000232311 - 2.268630778
570 H33 Val(1S) 0.797184234 - 0.043350663
571 H33 Ryd(2S) 0.000750269 - 0.769119098
572 H33 Ryd(3S) 0.000085006 - 2.045323047
573 H33 Ryd(2p) 0.000131124 - 2.306756818
574 H33 Ryd(2p) 0.000161117 - 2.359693576
575 H33 Ryd(2p) 0.000154030 - 2.279405429
576 H34 Val(1S) 0.794087622 - 0.042196609
577 H34 Ryd(2S) 0.000836906 - 0.634923685
578 H34 Ryd(3S) 0.000095689 - 2.228317718
579 H34 Ryd(2p) 0.000153085 - 2.258029362
580 H34 Ryd(2p) 0.000097092 - 1.982914033
581 H34 Ryd(2p) 0.000211611 - 2.665214225
582 H35 Val(1S) 0.794639728 - 0.042080871
583 H35 Ryd(2S) 0.000853555 - 0.624872097
584 H35 Ryd(3S) 0.000096874 - 2.238358858
585 H35 Ryd(2p) 0.000131884 - 2.152903104
586 H35 Ryd(2p) 0.000213146 - 2.687724151
587 H35 Ryd(2p) 0.000116134 - 2.076573277
588 - **********

Natural Hybrid Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 BD(1)C1(C2) 1s(30.71%)p2.25(69.19%)d0.00(0.10%) 0.984580941 - -0.082311979
2 BD(1)C2(C1) 2s(31.52%)p2.17(68.44%)d0.00(0.05%) 1.014807315 - -0.095559264
3 BD(1)C1(H33) 1s(23.29%)p3.29(76.63%)d0.00(0.08%) 1.195441541 - -0.123209697
4 BD(1)H33(C1) 33s(99.98%)p0.00(0.02%) 0.797275558 - 0.044932909
5 BD(1)C1(H34) 1s(22.98%)p3.35(76.93%)d0.00(0.09%) 1.197461049 - -0.127220481
6 BD(1)H34(C1) 34s(99.98%)p0.00(0.02%) 0.793556384 - 0.043688050
7 BD(1)C1(H35) 1s(23.02%)p3.34(76.90%)d0.00(0.09%) 1.195739505 - -0.124303092
8 BD(1)H35(C1) 35s(99.98%)p0.00(0.02%) 0.792679662 - 0.048278180
9 BD(1)C2(C3) 2s(33.79%)p1.96(66.13%)d0.00(0.08%) 1.007934167 - -0.038471122
10 BD(1)C3(C2) 3s(36.14%)p1.76(63.76%)d0.00(0.11%) 0.990202708 - -0.035138095
11 BD(1)C2(C7) 2s(34.58%)p1.89(65.35%)d0.00(0.07%) 1.009022616 - -0.040087547
12 BD(1)C7(C2) 7s(36.51%)p1.74(63.38%)d0.00(0.11%) 0.987000452 - -0.028327953
13 BD(2)C2(C7) 2s(0.00%)p1.00(99.97%)d0.00(0.03%) 1.033964340 - -0.046477369
14 BD(2)C7(C2) 7s(0.00%)p1.00(99.97%)d0.00(0.03%) 1.001984478 - -0.091725985
15 BD(1)C3(C4) 3s(36.02%)p1.77(63.86%)d0.00(0.12%) 0.990511641 - -0.040475987
16 BD(1)C4(C3) 4s(36.96%)p1.70(62.94%)d0.00(0.10%) 0.998443330 - -0.042283281
17 BD(2)C3(C4) 3s(0.00%)p1.00(99.97%)d0.00(0.03%) 0.999912683 - -0.092929687
18 BD(2)C4(C3) 4s(0.00%)p1.00(99.97%)d0.00(0.03%) 1.053939127 - -0.095606511
19 BD(1)C3(H32) 3s(27.70%)p2.61(72.25%)d0.00(0.04%) 1.193805566 - -0.109382982
20 BD(1)H32(C3) 32s(99.96%)p0.00(0.04%) 0.800078259 - 0.060250779
21 BD(1)C4(C5) 4s(34.92%)p1.86(64.95%)d0.00(0.13%) 0.975331419 - -0.044148251
22 BD(1)C5(C4) 5s(35.26%)p1.83(64.68%)d0.00(0.06%) 1.017434168 - -0.057777904
23 BD(1)C4(H31) 4s(27.97%)p2.57(71.98%)d0.00(0.04%) 1.192293217 - -0.110532375
24 BD(1)H31(C4) 31s(99.96%)p0.00(0.04%) 0.799876677 - 0.056984487
25 BD(1)C5(C6) 5s(36.20%)p1.76(63.75%)d0.00(0.06%) 1.015947179 - -0.055229730
26 BD(1)C6(C5) 6s(34.97%)p1.86(64.90%)d0.00(0.12%) 0.979886499 - -0.041503194
27 BD(2)C5(C6) 5s(0.01%)p1.00(99.95%)d0.00(0.04%) 0.978088157 - -0.092959879
28 BD(2)C6(C5) 6s(0.00%)p1.00(99.96%)d0.00(0.03%) 1.077863363 - -0.097729201
29 BD(1)C5(N10) 5s(28.32%)p2.53(71.60%)d0.00(0.08%) 0.799820224 - -0.030245982
30 BD(1)N10(C5) 10s(35.78%)p1.79(64.06%)d0.00(0.16%) 1.211903892 - -0.286132941
31 BD(1)C6(C7) 6s(36.44%)p1.74(63.46%)d0.00(0.10%) 0.999450183 - -0.042480938
32 BD(1)C7(C6) 7s(35.70%)p1.80(64.18%)d0.00(0.12%) 0.989352660 - -0.041736254
33 BD(1)C6(H9) 6s(28.45%)p2.51(71.50%)d0.00(0.04%) 1.195321087 - -0.112026956
34 BD(1)H9(C6) 9s(99.96%)p0.00(0.04%) 0.795320743 - 0.060991177
35 BD(1)C7(H8) 7s(27.65%)p2.62(72.31%)d0.00(0.04%) 1.190710493 - -0.107955200
36 BD(1)H8(C7) 8s(99.96%)p0.00(0.04%) 0.801245034 - 0.061749272
37 BD(1)N10(C11) 10s(31.29%)p2.19(68.59%)d0.00(0.12%) 1.215436277 - -0.291405914
38 BD(1)C11(N10) 11s(23.97%)p3.17(75.89%)d0.01(0.14%) 0.790131892 - -0.063371780
39 BD(1)N10(H30) 10s(23.47%)p3.25(76.35%)d0.01(0.18%) 1.379876982 - -0.288704452
40 BD(1)H30(N10) 30s(99.96%)p0.00(0.04%) 0.616748668 - 0.104166734
41 BD(1)C11(C12) 11s(29.48%)p2.39(70.43%)d0.00(0.09%) 0.982300203 - -0.097992966
42 BD(1)C12(C11) 12s(31.40%)p2.18(68.55%)d0.00(0.05%) 1.010786508 - -0.112055676
43 BD(1)C11(H28) 11s(23.25%)p3.30(76.67%)d0.00(0.08%) 1.194828981 - -0.137054872
44 BD(1)H28(C11) 28s(99.97%)p0.00(0.03%) 0.803259746 - 0.031994923
45 BD(1)C11(H29) 11s(23.45%)p3.26(76.45%)d0.00(0.09%) 1.204850791 - -0.143533415
46 BD(1)H29(C11) 29s(99.97%)p0.00(0.03%) 0.805416685 - 0.034455425
47 BD(1)C12(C13) 12s(32.86%)p2.04(67.04%)d0.00(0.10%) 0.994886933 - -0.075538309
48 BD(1)C13(C12) 13s(39.40%)p1.54(60.52%)d0.00(0.08%) 1.003226858 - -0.076454264
49 BD(2)C12(C13) 12s(0.00%)p1.00(99.96%)d0.00(0.04%) 1.038055674 - -0.107218250
50 BD(2)C13(C12) 13s(0.00%)p1.00(99.94%)d0.00(0.06%) 1.011590974 - -0.125467780
51 BD(1)C12(C17) 12s(35.62%)p1.81(64.31%)d0.00(0.07%) 1.019971406 - -0.069302228
52 BD(1)C17(C12) 17s(35.39%)p1.82(64.50%)d0.00(0.11%) 0.969536558 - -0.048475200
53 BD(1)C13(C14) 13s(36.45%)p1.74(63.45%)d0.00(0.10%) 0.999737578 - -0.092572288
54 BD(1)C14(C13) 14s(35.36%)p1.83(64.56%)d0.00(0.08%) 1.005165499 - -0.089271132
55 BD(1)C13(O26) 13s(23.62%)p3.23(76.21%)d0.01(0.17%) 0.677216421 - -0.080892712
56 BD(1)O26(C13) 26s(33.46%)p1.98(66.29%)d0.01(0.26%) 1.335307672 - -0.492923177
57 BD(1)C14(C15) 14s(40.37%)p1.48(59.57%)d0.00(0.06%) 1.017711549 - -0.091835395
58 BD(1)C15(C14) 15s(34.18%)p1.92(65.68%)d0.00(0.14%) 0.984227949 - -0.070603487
59 BD(2)C14(C15) 14s(0.00%)p1.00(99.97%)d0.00(0.03%) 1.038935405 - -0.131157996
60 BD(2)C15(C14) 15s(0.00%)p1.00(99.95%)d0.00(0.05%) 1.067880689 - -0.123280198
61 BD(1)C14(O21) 14s(23.99%)p3.16(75.82%)d0.01(0.19%) 0.658905578 - -0.068011841
62 BD(1)O21(C14) 21s(33.14%)p2.02(66.80%)d0.00(0.06%) 1.360596387 - -0.503521676
63 BD(1)C15(C16) 15s(36.65%)p1.73(63.24%)d0.00(0.11%) 1.009083076 - -0.065921845
64 BD(1)C16(C15) 16s(35.17%)p1.84(64.71%)d0.00(0.12%) 0.977467055 - -0.059715193
65 BD(1)C15(H20) 15s(29.02%)p2.44(70.93%)d0.00(0.04%) 1.202554095 - -0.142756947
66 BD(1)H20(C15) 20s(99.96%)p0.00(0.04%) 0.787232610 - 0.038410566
67 BD(1)C16(C17) 16s(36.23%)p1.76(63.66%)d0.00(0.11%) 0.993678711 - -0.056457034
68 BD(1)C17(C16) 17s(36.11%)p1.77(63.79%)d0.00(0.11%) 0.998233102 - -0.060127016
69 BD(2)C16(C17) 16s(0.00%)p1.00(99.97%)d0.00(0.03%) 1.025046295 - -0.110559262
70 BD(2)C17(C16) 17s(0.00%)p1.00(99.97%)d0.00(0.03%) 1.017036614 - -0.107855798
71 BD(1)C16(H19) 16s(28.49%)p2.51(71.47%)d0.00(0.04%) 1.201451905 - -0.128656185
72 BD(1)H19(C16) 19s(99.96%)p0.00(0.04%) 0.792166663 - 0.049252152
73 BD(1)C17(H18) 17s(28.36%)p2.52(71.59%)d0.00(0.04%) 1.199803890 - -0.127744372
74 BD(1)H18(C17) 18s(99.96%)p0.00(0.04%) 0.792071119 - 0.052222432
75 BD(1)O21(C22) 21s(29.13%)p2.43(70.80%)d0.00(0.08%) 1.377453847 - -0.491682135
76 BD(1)C22(O21) 22s(21.87%)p3.56(77.91%)d0.01(0.22%) 0.625085968 - -0.083838404
77 BD(1)C22(H23) 22s(25.60%)p2.90(74.34%)d0.00(0.06%) 1.191403832 - -0.171658172
78 BD(1)H23(C22) 23s(99.95%)p0.00(0.05%) 0.808659858 - 0.000741114
79 BD(1)C22(H24) 22s(26.35%)p2.79(73.59%)d0.00(0.06%) 1.187843346 - -0.179721987
80 BD(1)H24(C22) 24s(99.95%)p0.00(0.05%) 0.825170395 - -0.009367979
81 BD(1)C22(H25) 22s(26.35%)p2.79(73.59%)d0.00(0.06%) 1.187942946 - -0.179838050
82 BD(1)H25(C22) 25s(99.95%)p0.00(0.05%) 0.825080096 - -0.009385261
83 BD(1)O26(H27) 26s(21.72%)p3.59(77.93%)d0.02(0.35%) 1.498059742 - -0.460959738
84 BD(1)H27(O26) 27s(99.94%)p0.00(0.06%) 0.502700554 - 0.118391314
85 CR(1)C1 s(100.00%)p0.00(0.00%) 1.999354686 - -10.006265101
86 CR(1)C2 s(100.00%)p0.00(0.00%) 1.999021094 - -10.014386054
87 CR(1)C3 s(100.00%)p0.00(0.00%) 1.999056777 - -10.008796894
88 CR(1)C4 s(100.00%)p0.00(0.00%) 1.999065797 - -10.009787986
89 CR(1)C5 s(100.00%) 1.998992536 - -10.056171766
90 CR(1)C6 s(100.00%)p0.00(0.00%) 1.999101667 - -10.007426152
91 CR(1)C7 s(100.00%)p0.00(0.00%) 1.999056646 - -10.008257977
92 CR(1)N10 s(100.00%)p0.00(0.00%) 1.999331404 - -14.141643164
93 CR(1)C11 s(100.00%)p0.00(0.00%) 1.999198241 - -10.066490959
94 CR(1)C12 s(100.00%)p0.00(0.00%) 1.998950868 - -10.037400802
95 CR(1)C13 s(100.00%)p0.00(0.00%) 1.998463573 - -10.103547402
96 CR(1)C14 s(100.00%) 1.998696458 - -10.107691588
97 CR(1)C15 s(100.00%)p0.00(0.00%) 1.999075340 - -10.035351530
98 CR(1)C16 s(100.00%)p0.00(0.00%) 1.999168872 - -10.029063230
99 CR(1)C17 s(100.00%)p0.00(0.00%) 1.999068506 - -10.024584323
100 CR(1)O21 s(100.00%) 1.999707947 - -18.977994311
101 CR(1)C22 s(100.00%)p0.00(0.00%) 1.999253855 - -10.117411536
102 CR(1)O26 s(100.00%)p0.00(0.00%) 1.999754204 - -18.945775048
103 LP(1)N10 s(9.33%)p9.71(90.58%)d0.01(0.10%) 1.809396314 - -0.265724696
104 LP(1)O21 s(37.77%)p1.65(62.20%)d0.00(0.03%) 1.959886170 - -0.575272023
105 LP(2)O21 s(0.00%)p1.00(99.94%)d0.00(0.06%) 1.862801359 - -0.336936808
106 LP(1)O26 s(44.75%)p1.23(55.13%)d0.00(0.12%) 1.978074141 - -0.619981778
107 LP(2)O26 s(0.00%)p1.00(99.81%)d0.00(0.19%) 1.880261443 - -0.332716769
108 RY*(1)C1 s(0.05%)p99.99(97.24%)d51.70(2.70%) 0.003313683 - 0.721109341
109 RY*(2)C1 s(0.14%)p99.99(43.37%)d99.99(56.49%) 0.000891185 - 1.065328420
110 RY*(3)C1 s(10.93%)p3.44(37.62%)d4.71(51.45%) 0.000495983 - 1.351535475
111 RY*(4)C1 s(28.76%)p2.21(63.64%)d0.26(7.60%) 0.000540741 - 1.683623853
112 RY*(5)C1 s(0.33%)p99.99(47.06%)d99.99(52.62%) -0.000992078 - 0.928192725
113 RY*(6)C1 s(26.83%)p1.78(47.88%)d0.94(25.29%) 0.001372281 - 2.018871686
114 RY*(7)C1 s(0.03%)p99.99(11.74%)d99.99(88.24%) 0.000170673 - 1.306271501
115 RY*(8)C1 s(0.92%)p65.22(60.04%)d42.41(39.04%) 0.000117703 - 1.001931950
116 RY*(9)C1 s(0.67%)p99.99(70.33%)d43.36(29.00%) 0.000714047 - 2.263650654
117 RY*(10)C1 s(2.74%)p34.71(95.16%)d0.77(2.10%) -0.000650386 - 0.435060272
118 RY*(11)C1 s(0.33%)p99.99(74.81%)d74.58(24.86%) 0.000028440 - 0.659078213
119 RY*(12)C1 s(0.50%)p99.99(93.11%)d12.87(6.39%) 0.000268929 - 2.807059758
120 RY*(13)C1 s(98.69%)p0.01(0.82%)d0.00(0.49%) 0.000339222 - 22.717926530
121 RY*(14)C1 s(1.42%)p5.66(8.04%)d63.77(90.54%) 0.000376986 - 2.980779302
122 RY*(15)C1 s(85.62%)p0.07(5.94%)d0.10(8.44%) 0.000078277 - 1.160828777
123 RY*(16)C1 s(0.14%)p28.23(3.97%)d99.99(95.89%) 0.000018812 - 2.975708489
124 RY*(17)C1 s(18.09%)p0.36(6.46%)d4.17(75.45%) 0.000021294 - 1.664987342
125 RY*(18)C1 s(5.98%)p0.47(2.78%)d15.26(91.24%) 0.000426473 - 3.110126844
126 RY*(19)C1 s(7.30%)p5.67(41.37%)d7.04(51.34%) 0.000034689 - 1.554599570
127 RY*(20)C1 s(8.96%)p0.10(0.85%)d10.07(90.19%) 0.000528451 - 3.237772907
128 RY*(21)C1 s(1.10%)p79.50(87.15%)d10.72(11.76%) 0.001833293 - 2.096465765
129 RY*(22)C1 s(0.50%)p1.97(0.98%)d99.99(98.52%) 0.000060829 - 3.445537547
130 RY*(1)C2 s(2.51%)p35.02(87.96%)d3.79(9.53%) 0.006831034 - 1.388342300
131 RY*(2)C2 s(0.39%)p99.99(92.34%)d18.81(7.27%) 0.001428226 - 1.200631754
132 RY*(3)C2 s(0.07%)p99.99(89.18%)d99.99(10.76%) 0.001771289 - 0.755228884
133 RY*(4)C2 s(1.23%)p33.29(40.86%)d47.18(57.91%) -0.005735963 - 2.463407191
134 RY*(5)C2 s(24.17%)p0.68(16.45%)d2.46(59.39%) 0.000836601 - 2.141999490
135 RY*(6)C2 s(51.29%)p0.48(24.61%)d0.47(24.09%) 0.000539605 - 1.253995110
136 RY*(7)C2 s(1.45%)p0.74(1.08%)d67.11(97.47%) 0.000416830 - 3.127327689
137 RY*(8)C2 s(3.30%)p4.92(16.24%)d24.36(80.45%) 0.000254923 - 2.252278763
138 RY*(9)C2 s(28.66%)p1.01(28.92%)d1.48(42.42%) -0.001757510 - 1.737249678
139 RY*(10)C2 s(22.96%)p0.35(8.15%)d3.00(68.90%) -0.006162657 - 3.898062041
140 RY*(11)C2 s(13.79%)p1.94(26.73%)d4.31(59.48%) -0.010333185 - 2.176797744
141 RY*(12)C2 s(7.37%)p3.56(26.27%)d9.00(66.36%) 0.000299400 - 2.698089634
142 RY*(13)C2 s(1.96%)p39.57(77.52%)d10.48(20.52%) -0.000363505 - 3.167261777
143 RY*(14)C2 s(29.22%)p1.30(38.01%)d1.12(32.77%) -0.000592502 - 2.627682738
144 RY*(15)C2 s(11.44%)p5.86(67.06%)d1.88(21.50%) 0.004371045 - 2.506016716
145 RY*(16)C2 s(0.17%)p91.56(15.20%)d99.99(84.63%) 0.000374571 - 1.700206790
146 RY*(17)C2 s(0.12%)p99.99(80.26%)d99.99(19.62%) -0.002434233 - 1.129679808
147 RY*(18)C2 s(6.18%)p0.26(1.62%)d14.93(92.21%) -0.001941920 - 3.366249798
148 RY*(19)C2 s(0.07%)p99.99(97.54%)d32.37(2.38%) -0.001858353 - 2.727536510
149 RY*(20)C2 s(0.02%)p99.99(63.53%)d99.99(36.44%) -0.000521540 - 1.661218622
150 RY*(21)C2 s(0.07%)p1.49(0.10%)d99.99(99.84%) 0.000001254 - 1.580950126
151 RY*(22)C2 s(93.69%)p0.01(0.47%)d0.06(5.84%) -0.000016898 - 18.973737024
152 RY*(1)C3 s(0.76%)p99.99(89.93%)d12.33(9.32%) 0.004498410 - 1.297985345
153 RY*(2)C3 s(0.19%)p99.99(97.52%)d12.39(2.30%) 0.002111490 - 1.184291209
154 RY*(3)C3 s(0.48%)p99.99(70.79%)d60.12(28.74%) 0.000204825 - 0.783566085
155 RY*(4)C3 s(35.90%)p0.28(10.00%)d1.51(54.10%) 0.002145563 - 1.886793521
156 RY*(5)C3 s(5.54%)p1.42(7.86%)d15.64(86.61%) 0.000566569 - 2.038669611
157 RY*(6)C3 s(29.35%)p0.78(22.86%)d1.63(47.80%) 0.000552930 - 1.915208140
158 RY*(7)C3 s(17.65%)p1.40(24.74%)d3.26(57.60%) 0.000080037 - 2.210751276
159 RY*(8)C3 s(18.30%)p2.06(37.62%)d2.41(44.08%) -0.000096161 - 3.106954624
160 RY*(9)C3 s(2.30%)p10.93(25.16%)d31.51(72.54%) 0.001056999 - 1.742245547
161 RY*(10)C3 s(30.88%)p1.64(50.49%)d0.60(18.63%) 0.000191551 - 1.402830197
162 RY*(11)C3 s(17.31%)p2.02(34.93%)d2.76(47.76%) -0.000004844 - 1.977020269
163 RY*(12)C3 s(10.01%)p0.38(3.80%)d8.61(86.19%) 0.000053083 - 2.996090289
164 RY*(13)C3 s(4.75%)p15.68(74.55%)d4.35(20.70%) 0.000265629 - 3.185965296
165 RY*(14)C3 s(2.77%)p28.11(77.79%)d7.03(19.45%) -0.013036516 - 0.878730772
166 RY*(15)C3 s(16.90%)p2.83(47.83%)d2.09(35.27%) -0.003727952 - 2.894862992
167 RY*(16)C3 s(2.85%)p31.30(89.34%)d2.73(7.80%) -0.001210313 - 2.723522647
168 RY*(17)C3 s(0.83%)p99.99(86.25%)d15.61(12.92%) -0.002198513 - 0.827840331
169 RY*(18)C3 s(2.99%)p3.36(10.03%)d29.11(86.98%) -0.001212725 - 3.359073588
170 RY*(19)C3 s(94.07%)p0.03(3.02%)d0.03(2.91%) -0.005739380 - 18.913371482
171 RY*(20)C3 s(5.81%)p3.84(22.28%)d12.38(71.91%) -0.046782303 - 3.067009713
172 RY*(21)C3 s(0.23%)p40.95(9.40%)d99.99(90.37%) 0.000017307 - 1.880337691
173 RY*(22)C3 s(0.29%)p13.55(3.96%)d99.99(95.75%) -0.000488294 - 2.895591835
174 RY*(1)C4 s(0.33%)p99.99(88.54%)d33.59(11.13%) 0.009413551 - 1.315034716
175 RY*(2)C4 s(0.78%)p99.99(97.39%)d2.36(1.84%) 0.001171364 - 1.249451579
176 RY*(3)C4 s(0.96%)p78.14(74.77%)d25.37(24.27%) 0.000838234 - 0.627438519
177 RY*(4)C4 s(52.13%)p0.14(7.29%)d0.78(40.57%) 0.001969793 - 1.887850293
178 RY*(5)C4 s(0.36%)p78.79(28.05%)d99.99(71.60%) -0.009600515 - 2.063598066
179 RY*(6)C4 s(6.79%)p6.27(42.52%)d7.47(50.69%) -0.013048550 - 1.956959245
180 RY*(7)C4 s(25.35%)p0.70(17.64%)d2.25(57.02%) 0.011250132 - 1.378800103
181 RY*(8)C4 s(8.35%)p5.00(41.73%)d5.98(49.91%) -0.011956628 - 2.491480336
182 RY*(9)C4 s(34.69%)p0.37(12.88%)d1.51(52.43%) -0.005467423 - 1.925354221
183 RY*(10)C4 s(15.14%)p1.55(23.47%)d4.06(61.40%) -0.003085612 - 2.213317689
184 RY*(11)C4 s(5.78%)p12.72(73.53%)d3.58(20.69%) 0.001393467 - 1.716998341
185 RY*(12)C4 s(11.13%)p1.70(18.87%)d6.29(70.00%) 0.002205500 - 2.277274252
186 RY*(13)C4 s(3.33%)p20.60(68.55%)d8.45(28.12%) -0.001250986 - 2.746051948
187 RY*(14)C4 s(8.67%)p8.69(75.38%)d1.84(15.95%) -0.002121055 - 2.469945689
188 RY*(15)C4 s(1.19%)p44.80(53.41%)d38.09(45.40%) 0.001734670 - 1.743565396
189 RY*(16)C4 s(26.42%)p1.23(32.53%)d1.55(41.05%) 0.013028280 - 1.972421810
190 RY*(17)C4 s(0.96%)p23.61(22.69%)d79.46(76.35%) 0.000027227 - 1.938807032
191 RY*(18)C4 s(1.52%)p3.07(4.68%)d61.60(93.80%) -0.001791786 - 3.381897150
192 RY*(19)C4 s(1.19%)p30.49(36.43%)d52.21(62.37%) 0.005800918 - 2.441871061
193 RY*(20)C4 s(89.23%)p0.11(9.54%)d0.01(1.23%) -0.001958618 - 19.513077280
194 RY*(21)C4 s(5.40%)p12.83(69.29%)d4.69(25.31%) 0.001233422 - 2.701079777
195 RY*(22)C4 s(0.45%)p2.19(0.99%)d99.99(98.56%) -0.000070975 - 3.300491211
196 RY*(1)C5 s(0.32%)p99.99(93.92%)d17.83(5.76%) 0.005654771 - 1.382621047
197 RY*(2)C5 s(1.95%)p46.13(90.12%)d4.06(7.93%) 0.004627358 - 1.391553109
198 RY*(3)C5 s(7.14%)p3.00(21.44%)d10.00(71.41%) 0.002167701 - 1.871407067
199 RY*(4)C5 s(9.40%)p8.16(76.73%)d1.48(13.87%) 0.001233779 - 0.978850565
200 RY*(5)C5 s(33.70%)p0.34(11.31%)d1.63(54.99%) 0.000205552 - 2.204720979
201 RY*(6)C5 s(16.87%)p1.05(17.71%)d3.88(65.43%) -0.002507756 - 2.546950041
202 RY*(7)C5 s(0.98%)p5.26(5.15%)d95.88(93.87%) 0.000477182 - 2.809821520
203 RY*(8)C5 s(4.89%)p4.17(20.38%)d15.29(74.73%) 0.000333450 - 2.211308699
204 RY*(9)C5 s(22.56%)p0.59(13.30%)d2.84(64.14%) -0.000824627 - 1.984061085
205 RY*(10)C5 s(22.23%)p0.94(20.81%)d2.56(56.96%) 0.007478526 - 2.282651308
206 RY*(11)C5 s(9.71%)p5.46(53.04%)d3.84(37.25%) 0.000439515 - 1.808719521
207 RY*(12)C5 s(0.85%)p38.02(32.27%)d78.79(66.88%) -0.000060394 - 2.475975633
208 RY*(13)C5 s(19.96%)p1.98(39.46%)d2.03(40.57%) 0.000271189 - 3.258020474
209 RY*(14)C5 s(1.69%)p52.44(88.64%)d5.72(9.67%) 0.000172208 - 3.639788319
210 RY*(15)C5 s(44.91%)p0.55(24.63%)d0.68(30.47%) -0.008016334 - 1.868533168
211 RY*(16)C5 s(6.19%)p10.99(68.08%)d4.15(25.73%) 0.000037333 - 4.006557004
212 RY*(17)C5 s(2.75%)p13.35(36.77%)d21.96(60.48%) 0.000101555 - 1.846533709
213 RY*(18)C5 s(5.05%)p2.06(10.37%)d16.76(84.58%) -0.000003782 - 3.139470697
214 RY*(19)C5 s(87.04%)p0.07(6.45%)d0.07(6.51%) -0.000015522 - 15.978089297
215 RY*(20)C5 s(1.11%)p87.09(97.05%)d1.65(1.84%) 0.000010247 - 2.905542811
216 RY*(21)C5 s(0.15%)p99.99(19.70%)d99.99(80.15%) -0.000030491 - 2.404034368
217 RY*(22)C5 s(0.76%)p68.92(52.70%)d60.85(46.53%) -0.000123725 - 1.669144033
218 RY*(1)C6 s(0.31%)p99.99(88.17%)d36.78(11.52%) 0.004843358 - 1.323149121
219 RY*(2)C6 s(0.62%)p99.99(96.91%)d3.96(2.47%) 0.002042477 - 1.054267050
220 RY*(3)C6 s(6.75%)p13.35(90.07%)d0.47(3.18%) 0.001912652 - 1.016605248
221 RY*(4)C6 s(48.39%)p0.20(9.71%)d0.87(41.90%) 0.000754016 - 1.929832562
222 RY*(5)C6 s(1.41%)p21.84(30.71%)d48.26(67.88%) 0.000519542 - 2.133002138
223 RY*(6)C6 s(15.65%)p2.61(40.91%)d2.78(43.44%) 0.000399316 - 1.586545207
224 RY*(7)C6 s(15.64%)p1.05(16.43%)d4.34(67.93%) 0.000674359 - 1.398597657
225 RY*(8)C6 s(11.01%)p3.41(37.50%)d4.68(51.48%) 0.000321207 - 1.440153989
226 RY*(9)C6 s(43.01%)p0.46(19.82%)d0.86(37.17%) 0.000875320 - 2.797919158
227 RY*(10)C6 s(8.03%)p2.05(16.43%)d9.41(75.55%) -0.000264464 - 1.792782154
228 RY*(11)C6 s(8.03%)p5.77(46.34%)d5.68(45.62%) 0.000302465 - 1.353881059
229 RY*(12)C6 s(0.98%)p48.05(46.87%)d53.46(52.15%) 0.000056908 - 3.324292582
230 RY*(13)C6 s(9.09%)p1.25(11.40%)d8.75(79.52%) 0.000034466 - 2.602461617
231 RY*(14)C6 s(19.48%)p2.69(52.41%)d1.44(28.11%) 0.000159955 - 2.295081810
232 RY*(15)C6 s(12.89%)p5.65(72.79%)d1.11(14.33%) -0.001162385 - 1.463046925
233 RY*(16)C6 s(3.60%)p2.17(7.80%)d24.63(88.60%) 0.000071984 - 2.753663902
234 RY*(17)C6 s(15.91%)p2.57(40.92%)d2.71(43.17%) -0.000037157 - 4.747642573
235 RY*(18)C6 s(0.07%)p45.39(3.04%)d99.99(96.89%) 0.000003450 - 3.486145439
236 RY*(19)C6 s(0.16%)p99.99(96.71%)d19.23(3.13%) 0.000006133 - 2.906781255
237 RY*(20)C6 s(73.74%)p0.28(20.75%)d0.07(5.51%) 0.000563205 - 16.588540370
238 RY*(21)C6 s(5.16%)p10.37(53.48%)d8.02(41.37%) 0.000060233 - 2.411341607
239 RY*(22)C6 s(0.22%)p4.59(1.00%)d99.99(98.78%) 0.000021547 - 3.374669162
240 RY*(1)C7 s(0.48%)p99.99(89.86%)d19.93(9.66%) 0.005891456 - 1.305782340
241 RY*(2)C7 s(0.46%)p99.99(98.07%)d3.18(1.46%) 0.002284654 - 1.142042266
242 RY*(3)C7 s(1.37%)p56.83(78.00%)d15.03(20.63%) 0.000846475 - 0.611853259
243 RY*(4)C7 s(28.28%)p0.56(15.80%)d1.98(55.92%) 0.000851367 - 2.106481998
244 RY*(5)C7 s(10.26%)p0.89(9.15%)d7.85(80.59%) 0.000688238 - 2.551865126
245 RY*(6)C7 s(36.15%)p0.37(13.36%)d1.40(50.49%) 0.000349601 - 1.639414279
246 RY*(7)C7 s(12.72%)p2.49(31.72%)d4.37(55.55%) 0.000125154 - 2.535143200
247 RY*(8)C7 s(8.20%)p5.46(44.76%)d5.73(47.04%) -0.000071465 - 2.491711938
248 RY*(9)C7 s(8.33%)p1.88(15.62%)d9.13(76.05%) 0.000123964 - 1.302233067
249 RY*(10)C7 s(57.30%)p0.58(33.38%)d0.16(9.32%) -0.000127651 - 1.183797500
250 RY*(11)C7 s(7.24%)p3.91(28.29%)d8.91(64.47%) 0.000075338 - 1.244028169
251 RY*(12)C7 s(8.85%)p1.38(12.17%)d8.93(78.98%) 0.000361917 - 3.214657191
252 RY*(13)C7 s(7.21%)p8.62(62.18%)d4.24(30.61%) 0.000448554 - 3.905242344
253 RY*(14)C7 s(2.81%)p3.30(9.29%)d31.24(87.89%) -0.000137799 - 3.109281936
254 RY*(15)C7 s(1.36%)p57.50(78.41%)d14.83(20.22%) -0.000416654 - 0.967151015
255 RY*(16)C7 s(8.60%)p8.16(70.18%)d2.47(21.22%) 0.000207361 - 2.957164563
256 RY*(17)C7 s(91.20%)p0.05(4.86%)d0.04(3.94%) 0.000004668 - 18.878223455
257 RY*(18)C7 s(0.30%)p42.20(12.63%)d99.99(87.07%) 0.000027469 - 3.138986137
258 RY*(19)C7 s(3.79%)p23.76(89.95%)d1.65(6.26%) -0.000574668 - 0.586829078
259 RY*(20)C7 s(1.47%)p62.72(92.26%)d4.26(6.27%) -0.000158489 - 2.979058064
260 RY*(21)C7 s(3.48%)p2.57(8.92%)d25.21(87.61%) 0.000103951 - 2.239563695
261 RY*(22)C7 s(0.27%)p4.73(1.28%)d99.99(98.44%) 0.000013816 - 3.113571306
262 RY*(1)H8 s(99.97%)p0.00(0.03%) 0.000753302 - 1.301700788
263 RY*(2)H8 s(0.02%)p99.99(99.98%) 0.000198338 - 1.954424213
264 RY*(3)H8 s(87.09%)p0.15(12.91%) 0.000113154 - 2.132885919
265 RY*(4)H8 s(8.82%)p10.34(91.18%) 0.000047899 - 2.643541440
266 RY*(5)H8 s(4.14%)p23.16(95.86%) 0.000040379 - 2.621771566
267 RY*(1)H9 s(98.90%)p0.01(1.10%) 0.000765491 - 1.357524077
268 RY*(2)H9 s(3.31%)p29.20(96.69%) 0.000256021 - 1.978709019
269 RY*(3)H9 s(88.17%)p0.13(11.83%) 0.000134781 - 1.947968254
270 RY*(4)H9 s(8.78%)p10.39(91.22%) 0.000055059 - 2.685166182
271 RY*(5)H9 s(0.88%)p99.99(99.12%) 0.000034882 - 2.689056203
272 RY*(1)N10 s(12.47%)p6.77(84.37%)d0.25(3.16%) 0.004990431 - 0.807869773
273 RY*(2)N10 s(0.33%)p99.99(95.19%)d13.74(4.48%) 0.002771028 - 0.975680308
274 RY*(3)N10 s(3.61%)p24.06(86.91%)d2.62(9.47%) 0.001727930 - 1.018777250
275 RY*(4)N10 s(6.59%)p11.68(76.91%)d2.51(16.50%) 0.000975170 - 1.222197599
276 RY*(5)N10 s(3.83%)p23.57(90.31%)d1.53(5.86%) 0.000777605 - 0.866107926
277 RY*(6)N10 s(4.25%)p12.97(55.16%)d9.54(40.58%) 0.000473726 - 1.432615190
278 RY*(7)N10 s(45.75%)p0.54(24.49%)d0.65(29.76%) 0.000268563 - 2.048287064
279 RY*(8)N10 s(9.23%)p1.24(11.42%)d8.60(79.35%) 0.000224359 - 1.763579995
280 RY*(9)N10 s(12.25%)p1.16(14.26%)d6.00(73.49%) 0.000189226 - 2.357325554
281 RY*(10)N10 s(3.80%)p6.63(25.19%)d18.70(71.02%) 0.000111072 - 1.577711736
282 RY*(11)N10 s(5.05%)p2.89(14.56%)d15.94(80.40%) 0.000090049 - 2.468045419
283 RY*(12)N10 s(23.56%)p0.62(14.72%)d2.62(61.72%) 0.000076024 - 2.066489500
284 RY*(13)N10 s(14.51%)p4.43(64.34%)d1.46(21.15%) 0.000035367 - 3.715950683
285 RY*(14)N10 s(15.11%)p4.80(72.46%)d0.82(12.43%) 0.000036943 - 3.512615494
286 RY*(15)N10 s(27.09%)p1.29(35.02%)d1.40(37.90%) 0.000023308 - 2.494047190
287 RY*(16)N10 s(1.55%)p2.81(4.37%)d60.60(94.08%) 0.000011275 - 3.976514762
288 RY*(17)N10 s(0.36%)p36.53(13.24%)d99.99(86.40%) 0.000020155 - 4.628314140
289 RY*(18)N10 s(1.36%)p7.46(10.14%)d65.10(88.50%) 0.000003224 - 4.448199643
290 RY*(19)N10 s(1.23%)p74.11(91.24%)d6.12(7.53%) -0.000010239 - 4.073311756
291 RY*(20)N10 s(9.17%)p1.38(12.67%)d8.52(78.16%) 0.000006618 - 3.952923015
292 RY*(21)N10 s(98.60%)p0.01(0.85%)d0.01(0.54%) 0.000000553 - 35.034338844
293 RY*(22)N10 s(0.44%)p5.89(2.61%)d99.99(96.95%) 0.000014083 - 4.704300207
294 RY*(1)C11 s(0.33%)p99.99(96.95%)d8.13(2.72%) 0.005377369 - 0.894232780
295 RY*(2)C11 s(21.75%)p3.21(69.73%)d0.39(8.52%) 0.003460869 - 1.035988832
296 RY*(3)C11 s(14.40%)p4.23(60.98%)d1.71(24.63%) 0.001840391 - 1.350676441
297 RY*(4)C11 s(31.14%)p2.12(66.04%)d0.09(2.82%) 0.001242966 - 0.979551926
298 RY*(5)C11 s(16.65%)p1.91(31.84%)d3.09(51.51%) 0.000777523 - 1.512635467
299 RY*(6)C11 s(13.84%)p3.39(46.87%)d2.84(39.29%) 0.000519082 - 1.422907828
300 RY*(7)C11 s(3.99%)p7.31(29.15%)d16.76(66.86%) 0.000352984 - 1.508378586
301 RY*(8)C11 s(0.47%)p39.16(18.21%)d99.99(81.32%) 0.000275573 - 2.152621612
302 RY*(9)C11 s(10.96%)p3.51(38.49%)d4.61(50.55%) 0.000212624 - 1.545929879
303 RY*(10)C11 s(8.37%)p5.79(48.50%)d5.15(43.12%) 0.000166785 - 1.704104597
304 RY*(11)C11 s(3.71%)p14.24(52.88%)d11.69(43.41%) 0.000094877 - 1.866348204
305 RY*(12)C11 s(2.01%)p34.36(69.15%)d14.33(28.84%) 0.000057760 - 3.187926623
306 RY*(13)C11 s(3.22%)p15.62(50.28%)d14.45(46.51%) 0.000085827 - 1.843338181
307 RY*(14)C11 s(2.77%)p7.34(20.32%)d27.76(76.91%) 0.000043293 - 2.722040650
308 RY*(15)C11 s(39.44%)p0.22(8.66%)d1.32(51.91%) 0.000016936 - 1.963692280
309 RY*(16)C11 s(7.67%)p2.81(21.59%)d9.22(70.73%) 0.000012885 - 3.096884161
310 RY*(17)C11 s(0.72%)p47.06(34.05%)d90.17(65.23%) 0.000019237 - 1.661740145
311 RY*(18)C11 s(9.32%)p3.00(27.95%)d6.73(62.73%) 0.000032057 - 3.475924322
312 RY*(19)C11 s(19.35%)p1.04(20.14%)d3.13(60.51%) 0.000017045 - 2.810730075
313 RY*(20)C11 s(0.40%)p35.00(14.07%)d99.99(85.53%) 0.000004564 - 3.131056834
314 RY*(21)C11 s(88.81%)p0.05(4.55%)d0.07(6.64%) 0.000000486 - 20.774783975
315 RY*(22)C11 s(0.53%)p99.99(70.16%)d55.58(29.31%) 0.000006123 - 3.486881855
316 RY*(1)C12 s(0.84%)p99.99(91.66%)d8.94(7.50%) 0.006429511 - 1.329729733
317 RY*(2)C12 s(4.62%)p19.27(88.97%)d1.39(6.41%) 0.004220464 - 1.018276003
318 RY*(3)C12 s(8.11%)p10.45(84.70%)d0.89(7.19%) 0.002841686 - 0.966333629
319 RY*(4)C12 s(38.14%)p0.43(16.42%)d1.19(45.44%) 0.001158946 - 1.571107562
320 RY*(5)C12 s(3.10%)p9.39(29.09%)d21.90(67.82%) 0.001760314 - 2.629009650
321 RY*(6)C12 s(5.42%)p3.93(21.31%)d13.53(73.28%) -0.000007206 - 2.791509806
322 RY*(7)C12 s(33.24%)p0.51(17.02%)d1.50(49.74%) 0.000421684 - 1.833074936
323 RY*(8)C12 s(4.47%)p4.78(21.38%)d16.59(74.15%) 0.000358574 - 2.093402297
324 RY*(9)C12 s(5.11%)p4.49(22.93%)d14.08(71.96%) 0.000462319 - 1.461938657
325 RY*(10)C12 s(3.84%)p10.50(40.28%)d14.57(55.88%) -0.000347822 - 2.463132583
326 RY*(11)C12 s(2.28%)p9.21(20.98%)d33.69(76.74%) 0.000136632 - 2.370124871
327 RY*(12)C12 s(3.63%)p14.84(53.90%)d11.69(42.47%) 0.000100659 - 2.446961955
328 RY*(13)C12 s(2.72%)p5.86(15.93%)d29.90(81.35%) 0.000105026 - 2.579427057
329 RY*(14)C12 s(14.72%)p4.37(64.36%)d1.42(20.91%) 0.000137508 - 3.875169735
330 RY*(15)C12 s(31.05%)p1.66(51.47%)d0.56(17.49%) 0.000002037 - 2.835700379
331 RY*(16)C12 s(20.45%)p1.78(36.46%)d2.11(43.10%) 0.000004086 - 2.646604797
332 RY*(17)C12 s(3.58%)p12.55(44.98%)d14.35(51.44%) 0.000060794 - 3.065984790
333 RY*(18)C12 s(81.98%)p0.19(15.78%)d0.03(2.24%) 0.000056614 - 17.960709508
334 RY*(19)C12 s(28.57%)p1.70(48.54%)d0.80(22.89%) 0.000119119 - 1.874921516
335 RY*(20)C12 s(0.99%)p14.14(13.97%)d86.09(85.04%) 0.000026820 - 1.975251222
336 RY*(21)C12 s(1.22%)p78.09(95.53%)d2.66(3.25%) 0.000004202 - 2.835254965
337 RY*(22)C12 s(2.06%)p2.19(4.50%)d45.41(93.44%) 0.000004041 - 3.251606219
338 RY*(1)C13 s(3.23%)p29.19(94.29%)d0.77(2.48%) 0.006806053 - 1.248124630
339 RY*(2)C13 s(2.65%)p34.79(92.08%)d1.99(5.27%) 0.003551847 - 1.501504743
340 RY*(3)C13 s(67.84%)p0.06(4.37%)d0.41(27.79%) 0.002436639 - 1.242041881
341 RY*(4)C13 s(0.37%)p13.79(5.16%)d99.99(94.47%) 0.001433753 - 1.915643829
342 RY*(5)C13 s(7.46%)p1.77(13.18%)d10.64(79.36%) 0.001076820 - 2.454371119
343 RY*(6)C13 s(6.60%)p2.91(19.22%)d11.23(74.18%) 0.000636718 - 2.210930841
344 RY*(7)C13 s(2.32%)p5.06(11.73%)d37.05(85.95%) 0.000507477 - 2.106105257
345 RY*(8)C13 s(3.55%)p10.76(38.16%)d16.44(58.29%) 0.000434139 - 2.592747238
346 RY*(9)C13 s(0.10%)p99.99(75.82%)d99.99(24.08%) 0.000298456 - 1.312108986
347 RY*(10)C13 s(3.88%)p6.39(24.81%)d18.36(71.30%) 0.000131464 - 2.704034902
348 RY*(11)C13 s(1.78%)p31.57(56.34%)d23.46(41.88%) 0.000204275 - 2.104123151
349 RY*(12)C13 s(3.15%)p14.92(46.99%)d15.83(49.86%) 0.000130266 - 2.576586182
350 RY*(13)C13 s(10.88%)p1.99(21.67%)d6.20(67.45%) 0.000055236 - 4.791625210
351 RY*(14)C13 s(5.32%)p5.97(31.78%)d11.81(62.90%) 0.000000577 - 3.347672726
352 RY*(15)C13 s(25.42%)p1.14(28.96%)d1.79(45.61%) 0.000035333 - 7.994902577
353 RY*(16)C13 s(4.41%)p19.23(84.89%)d2.42(10.69%) 0.000022362 - 1.993244596
354 RY*(17)C13 s(12.96%)p5.09(65.99%)d1.62(21.04%) 0.000025595 - 4.478828416
355 RY*(18)C13 s(0.43%)p37.13(15.78%)d99.99(83.79%) 0.000007758 - 2.127062309
356 RY*(19)C13 s(0.05%)p99.99(98.42%)d27.95(1.53%) 0.000002763 - 2.416191776
357 RY*(20)C13 s(20.23%)p3.30(66.83%)d0.64(12.93%) 0.000005046 - 6.294062454
358 RY*(21)C13 s(17.88%)p0.19(3.41%)d4.40(78.71%) 0.000001684 - 5.734520791
359 RY*(1)C14 s(0.81%)p99.99(92.46%)d8.29(6.73%) 0.006251775 - 1.346063064
360 RY*(2)C14 s(1.14%)p79.05(89.83%)d7.95(9.03%) 0.003785705 - 1.369439456
361 RY*(3)C14 s(0.01%)p99.99(11.40%)d99.99(88.59%) 0.001761885 - 1.547620609
362 RY*(4)C14 s(64.63%)p0.08(4.96%)d0.47(30.41%) 0.001533838 - 1.354127945
363 RY*(5)C14 s(0.78%)p49.25(38.36%)d78.15(60.86%) 0.000796930 - 1.706115201
364 RY*(6)C14 s(4.24%)p1.69(7.17%)d20.91(88.59%) 0.000781139 - 2.610494378
365 RY*(7)C14 s(11.15%)p1.90(21.23%)d6.06(67.62%) 0.000426466 - 1.898690108
366 RY*(8)C14 s(2.18%)p19.94(43.39%)d25.02(54.44%) 0.000407797 - 2.780824030
367 RY*(9)C14 s(9.03%)p4.90(44.27%)d5.17(46.70%) 0.000303522 - 2.158567365
368 RY*(10)C14 s(3.80%)p13.54(51.46%)d11.77(44.74%) 0.000178209 - 2.002362594
369 RY*(11)C14 s(7.92%)p5.61(44.45%)d6.01(47.63%) 0.000125959 - 2.530252631
370 RY*(12)C14 s(1.47%)p29.06(42.86%)d37.75(55.67%) 0.000222684 - 2.358666306
371 RY*(13)C14 s(0.14%)p99.99(15.17%)d99.99(84.69%) 0.000076367 - 2.032156779
372 RY*(14)C14 s(6.89%)p9.66(66.57%)d3.85(26.54%) 0.000076027 - 2.741232436
373 RY*(15)C14 s(3.93%)p10.64(41.87%)d13.77(54.20%) 0.000092244 - 3.014486810
374 RY*(16)C14 s(16.07%)p3.85(61.78%)d1.38(22.16%) 0.000514894 - 3.805756372
375 RY*(17)C14 s(85.27%)p0.12(10.22%)d0.05(4.51%) -0.000471365 - 0.994897134
376 RY*(18)C14 s(8.54%)p6.45(55.10%)d4.25(36.35%) 0.000018351 - 2.618609985
377 RY*(19)C14 s(71.59%)p0.33(23.92%)d0.06(4.49%) 0.000013659 - 16.079296718
378 RY*(20)C14 s(0.15%)p99.99(24.22%)d99.99(75.63%) 0.000009975 - 2.274286605
379 RY*(21)C14 s(0.41%)p26.65(10.82%)d99.99(88.78%) 0.000027628 - 3.251904663
380 RY*(22)C14 s(0.13%)p99.99(98.60%)d10.14(1.28%) -0.000000014 - 2.778665942
381 RY*(1)C15 s(0.08%)p99.99(86.37%)d99.99(13.55%) 0.004762664 - 1.363894031
382 RY*(2)C15 s(0.53%)p99.99(98.46%)d1.88(1.00%) 0.001772338 - 1.498552604
383 RY*(3)C15 s(0.01%)p99.99(91.11%)d99.99(8.87%) 0.001393781 - 0.424778854
384 RY*(4)C15 s(42.71%)p0.23(9.86%)d1.11(47.44%) 0.000836924 - 2.297462658
385 RY*(5)C15 s(0.03%)p32.98(0.97%)d99.99(99.01%) 0.000562949 - 2.043595785
386 RY*(6)C15 s(16.84%)p3.64(61.24%)d1.30(21.93%) 0.000453553 - 1.265049175
387 RY*(7)C15 s(32.33%)p0.42(13.73%)d1.67(53.93%) 0.000221535 - 1.984792653
388 RY*(8)C15 s(0.80%)p51.83(41.50%)d72.07(57.70%) 0.000222823 - 1.142691238
389 RY*(9)C15 s(17.85%)p2.83(50.49%)d1.77(31.66%) 0.000235088 - 1.183251952
390 RY*(10)C15 s(10.99%)p1.46(16.03%)d6.64(72.98%) 0.000099876 - 2.312940403
391 RY*(11)C15 s(13.36%)p1.88(25.16%)d4.60(61.49%) 0.000040599 - 3.020762006
392 RY*(12)C15 s(9.47%)p7.36(69.66%)d2.20(20.87%) -0.000083591 - 3.398359788
393 RY*(13)C15 s(2.88%)p9.96(28.64%)d23.80(68.48%) -0.000708672 - 3.287887250
394 RY*(14)C15 s(11.81%)p1.64(19.35%)d5.83(68.85%) 0.000089335 - 3.021808482
395 RY*(15)C15 s(10.60%)p5.25(55.65%)d3.19(33.75%) 0.000041016 - 2.056186798
396 RY*(16)C15 s(37.86%)p1.40(53.00%)d0.24(9.14%) -0.000541167 - 1.534813161
397 RY*(17)C15 s(0.06%)p26.79(1.55%)d99.99(98.39%) 0.000019305 - 3.299958584
398 RY*(18)C15 s(0.12%)p34.84(4.18%)d99.99(95.70%) -0.000006397 - 2.036520848
399 RY*(19)C15 s(4.13%)p14.87(61.36%)d8.36(34.51%) 0.000012674 - 1.038048385
400 RY*(20)C15 s(0.75%)p99.99(96.80%)d3.26(2.45%) 0.000086199 - 2.807131737
401 RY*(21)C15 s(86.86%)p0.15(12.60%)d0.01(0.54%) 0.000508269 - 18.984837883
402 RY*(22)C15 s(0.08%)p29.57(2.49%)d99.99(97.42%) -0.000025985 - 3.320139485
403 RY*(1)C16 s(0.37%)p99.99(89.42%)d27.63(10.21%) 0.006335566 - 1.249533575
404 RY*(2)C16 s(0.04%)p99.99(99.65%)d8.26(0.31%) 0.002334565 - 1.246787353
405 RY*(3)C16 s(0.00%)p1.00(74.52%)d0.34(25.47%) 0.001053275 - 0.510555517
406 RY*(4)C16 s(59.28%)p0.11(6.30%)d0.58(34.42%) 0.000289678 - 2.153832774
407 RY*(5)C16 s(0.85%)p40.76(34.66%)d75.85(64.49%) 0.000499916 - 1.718373088
408 RY*(6)C16 s(0.39%)p5.32(2.06%)d99.99(97.55%) 0.000516975 - 2.972397266
409 RY*(7)C16 s(32.80%)p0.33(10.73%)d1.72(56.47%) 0.000310844 - 2.055870624
410 RY*(8)C16 s(20.06%)p0.22(4.39%)d3.77(75.55%) 0.000192484 - 1.552258099
411 RY*(9)C16 s(23.00%)p1.44(33.13%)d1.91(43.87%) -0.000052166 - 2.242315965
412 RY*(10)C16 s(3.38%)p24.52(82.93%)d4.05(13.68%) -0.000022622 - 2.733266317
413 RY*(11)C16 s(4.48%)p8.44(37.82%)d12.87(57.70%) -0.000150838 - 2.102431332
414 RY*(12)C16 s(3.01%)p3.11(9.36%)d29.07(87.62%) -0.000255872 - 2.580857778
415 RY*(13)C16 s(12.41%)p3.13(38.88%)d3.92(48.71%) -0.000072702 - 2.067605537
416 RY*(14)C16 s(8.51%)p6.01(51.18%)d4.74(40.31%) -0.000001407 - 2.634755253
417 RY*(15)C16 s(0.42%)p95.16(39.59%)d99.99(59.99%) 0.000013614 - 1.581018992
418 RY*(16)C16 s(0.51%)p99.99(75.57%)d47.32(23.92%) 0.000065853 - 0.618758245
419 RY*(17)C16 s(3.01%)p2.37(7.12%)d29.87(89.87%) -0.000209132 - 3.141202629
420 RY*(18)C16 s(0.23%)p99.99(98.57%)d5.35(1.21%) 0.000054810 - 2.775466322
421 RY*(19)C16 s(34.31%)p0.26(8.94%)d1.65(56.76%) 0.001339852 - 2.463819931
422 RY*(20)C16 s(1.19%)p70.80(84.34%)d12.14(14.47%) 0.000040661 - 1.512209188
423 RY*(21)C16 s(89.51%)p0.10(9.40%)d0.01(1.09%) -0.000003343 - 19.115273033
424 RY*(22)C16 s(2.35%)p0.69(1.62%)d40.77(96.02%) -0.000079973 - 3.383461845
425 RY*(1)C17 s(0.15%)p99.99(90.79%)d58.82(9.05%) 0.006012529 - 1.349664896
426 RY*(2)C17 s(0.50%)p99.99(96.04%)d6.86(3.46%) 0.002201036 - 1.070574894
427 RY*(3)C17 s(5.96%)p13.01(77.58%)d2.76(16.46%) 0.001385079 - 0.532400271
428 RY*(4)C17 s(53.92%)p0.47(25.51%)d0.38(20.57%) 0.000724317 - 1.737365109
429 RY*(5)C17 s(4.95%)p3.99(19.78%)d15.19(75.27%) 0.000566953 - 2.250544702
430 RY*(6)C17 s(2.85%)p3.44(9.81%)d30.64(87.34%) 0.000691179 - 2.540596269
431 RY*(7)C17 s(17.14%)p1.11(19.08%)d3.72(63.78%) 0.000318593 - 1.833087861
432 RY*(8)C17 s(7.53%)p2.97(22.34%)d9.32(70.13%) 0.000249748 - 2.478046733
433 RY*(9)C17 s(9.54%)p4.86(46.32%)d4.63(44.14%) -0.000062024 - 2.237638579
434 RY*(10)C17 s(10.51%)p2.86(30.10%)d5.65(59.40%) 0.000031152 - 2.123000970
435 RY*(11)C17 s(21.05%)p2.37(49.98%)d1.38(28.97%) 0.000056096 - 2.051920517
436 RY*(12)C17 s(5.31%)p4.37(23.19%)d13.48(71.51%) 0.000053042 - 2.385924449
437 RY*(13)C17 s(27.99%)p1.34(37.55%)d1.23(34.46%) 0.000479654 - 1.334481605
438 RY*(14)C17 s(6.52%)p3.50(22.83%)d10.83(70.65%) 0.001179144 - 2.713921637
439 RY*(15)C17 s(4.58%)p9.82(44.99%)d11.00(50.43%) 0.000008524 - 2.195364989
440 RY*(16)C17 s(7.67%)p3.72(28.57%)d8.31(63.76%) 0.000008002 - 2.351009688
441 RY*(17)C17 s(8.23%)p7.82(64.38%)d3.33(27.38%) 0.000012632 - 2.203466367
442 RY*(18)C17 s(21.56%)p3.31(71.27%)d0.33(7.17%) 0.000014645 - 3.062736733
443 RY*(19)C17 s(0.36%)p99.99(96.71%)d8.14(2.93%) -0.000003332 - 2.894531936
444 RY*(20)C17 s(81.88%)p0.15(12.42%)d0.07(5.70%) 0.000001180 - 17.482907740
445 RY*(21)C17 s(0.37%)p17.73(6.60%)d99.99(93.02%) 0.000000884 - 3.132674628
446 RY*(22)C17 s(1.55%)p2.78(4.31%)d60.74(94.14%) 0.000002396 - 3.321540826
447 RY*(1)H18 s(99.61%)p0.00(0.39%) 0.000621014 - 1.373052056
448 RY*(2)H18 s(1.09%)p90.84(98.91%) 0.000211696 - 1.967584008
449 RY*(3)H18 s(87.77%)p0.14(12.23%) 0.000167913 - 2.048764638
450 RY*(4)H18 s(9.89%)p9.11(90.11%) 0.000045807 - 2.618793152
451 RY*(5)H18 s(1.70%)p57.99(98.30%) 0.000036825 - 2.631798416
452 RY*(1)H19 s(98.82%)p0.01(1.18%) 0.000636434 - 1.149238326
453 RY*(2)H19 s(0.02%)p99.99(99.98%) 0.000224073 - 1.923412382
454 RY*(3)H19 s(94.48%)p0.06(5.52%) 0.000163992 - 2.138556174
455 RY*(4)H19 s(5.14%)p18.45(94.86%) 0.000041996 - 2.671997217
456 RY*(5)H19 s(1.58%)p62.13(98.42%) 0.000043023 - 2.607309973
457 RY*(1)H20 s(99.71%)p0.00(0.29%) 0.000769336 - 1.186167925
458 RY*(2)H20 s(0.01%)p1.00(99.99%) 0.000252831 - 1.932530921
459 RY*(3)H20 s(93.81%)p0.07(6.19%) 0.000153101 - 1.938294667
460 RY*(4)H20 s(1.44%)p68.54(98.56%) 0.000042333 - 2.597832204
461 RY*(5)H20 s(5.07%)p18.71(94.93%) 0.000049873 - 2.780053695
462 RY*(1)O21 s(0.15%)p99.99(97.35%)d16.74(2.50%) 0.004428285 - 0.697086253
463 RY*(2)O21 s(15.62%)p5.18(80.98%)d0.22(3.40%) 0.004113963 - 0.810941704
464 RY*(3)O21 s(11.29%)p6.89(77.79%)d0.97(10.92%) 0.001202969 - 1.189719802
465 RY*(4)O21 s(11.74%)p7.30(85.72%)d0.22(2.54%) 0.000590747 - 1.302967839
466 RY*(5)O21 s(0.17%)p99.99(89.25%)d61.36(10.57%) 0.000421694 - 0.779457318
467 RY*(6)O21 s(0.03%)p99.99(10.68%)d99.99(89.29%) 0.000257930 - 2.587471419
468 RY*(7)O21 s(0.71%)p99.99(92.30%)d9.84(6.99%) 0.000207618 - 1.597341633
469 RY*(8)O21 s(26.49%)p0.55(14.47%)d2.23(59.04%) 0.000191000 - 2.232358769
470 RY*(9)O21 s(52.76%)p0.35(18.39%)d0.55(28.85%) 0.000073138 - 1.452448111
471 RY*(10)O21 s(10.05%)p2.55(25.66%)d6.40(64.29%) 0.000045975 - 2.532830028
472 RY*(11)O21 s(3.95%)p19.80(78.13%)d4.54(17.93%) 0.000036848 - 4.761233713
473 RY*(12)O21 s(0.51%)p18.89(9.62%)d99.99(89.87%) 0.000012009 - 2.312870448
474 RY*(13)O21 s(21.84%)p0.46(9.95%)d3.12(68.21%) 0.000005479 - 2.390154700
475 RY*(14)O21 s(0.95%)p4.92(4.65%)d99.84(94.40%) 0.000003014 - 6.915046033
476 RY*(15)O21 s(1.84%)p50.91(93.85%)d2.34(4.31%) 0.000004473 - 4.940290099
477 RY*(16)O21 s(38.76%)p0.18(7.14%)d1.40(54.10%) 0.000007064 - 2.239308714
478 RY*(17)O21 s(99.72%)p0.00(0.23%)d0.00(0.06%) 0.000000042 - 49.276852358
479 RY*(18)O21 s(0.24%)p2.61(0.62%)d99.99(99.15%) 0.000000372 - 6.728137304
480 RY*(19)O21 s(0.02%)p99.99(98.21%)d87.85(1.77%) 0.000000822 - 4.866134432
481 RY*(20)O21 s(2.37%)p1.32(3.12%)d39.89(94.51%) 0.000002804 - 6.765488603
482 RY*(21)O21 s(0.08%)p10.06(0.79%)d99.99(99.14%) 0.000000297 - 6.384588786
483 RY*(22)O21 s(0.69%)p1.96(1.35%)d99.99(97.96%) 0.000000934 - 6.824053331
484 RY*(1)C22 s(20.63%)p2.39(49.22%)d1.46(30.15%) 0.002971234 - 1.156873978
485 RY*(2)C22 s(0.00%)p1.00(27.48%)d2.64(72.51%) 0.002505542 - 1.310405022
486 RY*(3)C22 s(4.01%)p22.69(91.06%)d1.23(4.93%) 0.001554563 - 0.814546358
487 RY*(4)C22 s(6.52%)p8.82(57.50%)d5.52(35.99%) 0.000342667 - 1.802098162
488 RY*(5)C22 s(0.08%)p99.99(84.54%)d99.99(15.38%) 0.000311505 - 0.710102427
489 RY*(6)C22 s(7.48%)p5.36(40.10%)d7.00(52.42%) 0.000147504 - 1.436953176
490 RY*(7)C22 s(0.07%)p99.99(58.93%)d99.99(40.99%) 0.000087354 - 1.036048997
491 RY*(8)C22 s(6.67%)p6.78(45.17%)d7.23(48.16%) 0.000038525 - 1.869073150
492 RY*(9)C22 s(65.42%)p0.20(13.33%)d0.32(21.25%) 0.000026109 - 1.238907081
493 RY*(10)C22 s(2.17%)p29.91(65.01%)d15.10(32.82%) 0.000009744 - 1.470676861
494 RY*(11)C22 s(0.13%)p99.99(92.09%)d59.67(7.77%) 0.000002175 - 1.661814402
495 RY*(12)C22 s(0.61%)p99.99(97.74%)d2.73(1.66%) 0.000002056 - 2.220316283
496 RY*(13)C22 s(96.76%)p0.02(1.49%)d0.02(1.75%) -0.000000373 - 22.692115709
497 RY*(14)C22 s(14.53%)p0.46(6.72%)d5.42(78.74%) -0.000007414 - 2.530477160
498 RY*(15)C22 s(54.22%)p0.37(20.33%)d0.47(25.46%) 0.000009563 - 1.296706338
499 RY*(16)C22 s(2.11%)p6.05(12.75%)d40.42(85.14%) 0.000000625 - 2.884431462
500 RY*(17)C22 s(4.48%)p20.03(89.74%)d1.29(5.78%) 0.000006884 - 2.279756089
501 RY*(18)C22 s(3.61%)p1.91(6.89%)d24.80(89.50%) 0.000000855 - 3.123078567
502 RY*(19)C22 s(6.61%)p3.25(21.46%)d10.88(71.93%) 0.000003582 - 1.781117374
503 RY*(20)C22 s(0.34%)p19.33(6.57%)d99.99(93.09%) -0.000000146 - 2.924579475
504 RY*(21)C22 s(2.96%)p3.16(9.34%)d29.67(87.70%) 0.000000763 - 2.513409700
505 RY*(22)C22 s(0.43%)p7.14(3.08%)d99.99(96.48%) 0.000001828 - 2.641814269
506 RY*(1)H23 s(95.79%)p0.04(4.21%) 0.000361114 - 0.525992113
507 RY*(2)H23 s(66.52%)p0.50(33.48%) 0.000153513 - 2.152552428
508 RY*(3)H23 s(0.01%)p1.00(99.99%) 0.000130494 - 1.788832241
509 RY*(4)H23 s(32.27%)p2.10(67.73%) 0.000061491 - 2.179494912
510 RY*(5)H23 s(5.47%)p17.28(94.53%) 0.000010336 - 2.503682038
511 RY*(1)H24 s(97.57%)p0.02(2.43%) 0.001603033 - 0.545039978
512 RY*(2)H24 s(48.35%)p1.07(51.65%) 0.000211048 - 2.066055910
513 RY*(3)H24 s(51.08%)p0.96(48.92%) 0.000092029 - 2.048453178
514 RY*(4)H24 s(2.76%)p35.22(97.24%) 0.000098424 - 2.024342332
515 RY*(5)H24 s(0.28%)p99.99(99.72%) 0.000026286 - 2.574615174
516 RY*(1)H25 s(97.66%)p0.02(2.34%) 0.001618539 - 0.544697521
517 RY*(2)H25 s(47.92%)p1.09(52.08%) 0.000208333 - 2.063431598
518 RY*(3)H25 s(17.62%)p4.67(82.38%) 0.000103079 - 1.944680470
519 RY*(4)H25 s(36.49%)p1.74(63.51%) 0.000089537 - 2.119230976
520 RY*(5)H25 s(0.35%)p99.99(99.65%) 0.000025534 - 2.584875721
521 RY*(1)O26 s(0.04%)p99.99(96.03%)d99.99(3.93%) 0.003114386 - 0.580773961
522 RY*(2)O26 s(1.01%)p93.48(94.74%)d4.19(4.24%) 0.001274055 - 1.130612496
523 RY*(3)O26 s(15.75%)p4.66(73.35%)d0.69(10.90%) 0.000685303 - 1.068764416
524 RY*(4)O26 s(15.38%)p1.36(20.95%)d4.14(63.66%) 0.000299525 - 1.948191564
525 RY*(5)O26 s(17.57%)p2.12(37.21%)d2.57(45.22%) 0.000122305 - 1.955045016
526 RY*(6)O26 s(3.44%)p6.76(23.25%)d21.32(73.31%) 0.000103468 - 1.906550864
527 RY*(7)O26 s(42.66%)p0.46(19.62%)d0.88(37.72%) 0.000089736 - 2.267779860
528 RY*(8)O26 s(15.77%)p4.12(64.94%)d1.22(19.28%) 0.000059383 - 2.266850014
529 RY*(9)O26 s(0.41%)p99.99(44.59%)d99.99(55.01%) 0.000034670 - 1.420713876
530 RY*(10)O26 s(0.23%)p99.99(67.97%)d99.99(31.80%) 0.000016030 - 4.719705407
531 RY*(11)O26 s(2.48%)p35.34(87.78%)d3.92(9.73%) 0.000023484 - 1.321375104
532 RY*(12)O26 s(61.76%)p0.41(25.36%)d0.21(12.88%) 0.000017316 - 1.593447853
533 RY*(13)O26 s(7.97%)p2.60(20.72%)d8.95(71.31%) 0.000024560 - 2.574206131
534 RY*(14)O26 s(2.48%)p3.53(8.76%)d35.73(88.75%) 0.000002624 - 6.680171307
535 RY*(15)O26 s(0.38%)p99.99(98.59%)d2.74(1.03%) 0.000001156 - 4.931674703
536 RY*(16)O26 s(1.36%)p0.76(1.03%)d71.59(97.60%) 0.000007992 - 6.644520048
537 RY*(17)O26 s(0.13%)p99.99(18.31%)d99.99(81.56%) 0.000002590 - 2.150916005
538 RY*(18)O26 s(0.08%)p57.71(4.69%)d99.99(95.23%) -0.000000137 - 6.394820061
539 RY*(19)O26 s(5.12%)p16.41(83.98%)d2.13(10.90%) 0.000004768 - 4.187419202
540 RY*(20)O26 s(6.24%)p1.27(7.92%)d13.77(85.84%) -0.000003817 - 6.132071589
541 RY*(21)O26 s(99.76%)p0.00(0.20%)d0.00(0.04%) -0.000012747 - 49.630445596
542 RY*(22)O26 s(0.04%)p19.03(0.84%)d99.99(99.12%) 0.000016706 - 6.814736256
543 RY*(1)H27 s(94.43%)p0.06(5.57%) 0.001229237 - 2.016773235
544 RY*(2)H27 s(0.02%)p99.99(99.98%) 0.000746387 - 1.928379001
545 RY*(3)H27 s(19.86%)p4.04(80.14%) 0.000319976 - 2.196003839
546 RY*(4)H27 s(45.44%)p1.20(54.56%) 0.000102747 - 2.176283470
547 RY*(5)H27 s(40.31%)p1.48(59.69%) 0.000145806 - 1.917846342
548 RY*(1)H28 s(98.48%)p0.02(1.52%) 0.001232956 - 0.889933128
549 RY*(2)H28 s(74.41%)p0.34(25.59%) 0.000229082 - 2.109358047
550 RY*(3)H28 s(26.11%)p2.83(73.89%) 0.000071690 - 2.456749896
551 RY*(4)H28 s(0.28%)p99.99(99.72%) 0.000046649 - 2.837425776
552 RY*(5)H28 s(0.76%)p99.99(99.24%) 0.000056316 - 2.216584881
553 RY*(1)H29 s(99.89%)p0.00(0.11%) 0.002629969 - 0.756453521
554 RY*(2)H29 s(74.49%)p0.34(25.51%) 0.000227324 - 2.235413975
555 RY*(3)H29 s(22.68%)p3.41(77.32%) 0.000139499 - 2.279387469
556 RY*(4)H29 s(0.07%)p99.99(99.93%) 0.000109563 - 2.361624683
557 RY*(5)H29 s(2.90%)p33.49(97.10%) 0.000053841 - 2.964288644
558 RY*(1)H30 s(91.87%)p0.09(8.13%) 0.002577776 - 0.900815037
559 RY*(2)H30 s(9.60%)p9.41(90.40%) 0.000561994 - 2.099346885
560 RY*(3)H30 s(79.76%)p0.25(20.24%) 0.000322834 - 2.332963830
561 RY*(4)H30 s(15.72%)p5.36(84.28%) 0.000170712 - 2.371031074
562 RY*(5)H30 s(3.10%)p31.25(96.90%) 0.000058930 - 2.935225971
563 RY*(1)H31 s(99.14%)p0.01(0.86%) 0.000334235 - 1.416462566
564 RY*(2)H31 s(1.24%)p79.48(98.76%) 0.000230236 - 1.968346849
565 RY*(3)H31 s(87.55%)p0.14(12.45%) 0.000860114 - 2.004896871
566 RY*(4)H31 s(10.56%)p8.47(89.44%) -0.000565572 - 2.577280805
567 RY*(5)H31 s(1.56%)p63.22(98.44%) 0.000069520 - 2.662332167
568 RY*(1)H32 s(100.00%)p0.00(0.00%) 0.001368835 - 1.283712318
569 RY*(2)H32 s(0.00%)p1.00(100.00%) 0.000198851 - 1.952696218
570 RY*(3)H32 s(86.32%)p0.16(13.68%) 0.000296985 - 2.122922296
571 RY*(4)H32 s(11.61%)p7.61(88.39%) -0.000373991 - 2.628808584
572 RY*(5)H32 s(2.10%)p46.57(97.90%) 0.000322848 - 2.624454721
573 RY*(1)H33 s(95.53%)p0.05(4.47%) 0.003544386 - 0.877426820
574 RY*(2)H33 s(42.68%)p1.34(57.32%) 0.012095129 - 2.109507628
575 RY*(3)H33 s(9.44%)p9.59(90.56%) 0.003541277 - 2.001316866
576 RY*(4)H33 s(40.42%)p1.47(59.58%) 0.000380551 - 2.314808166
577 RY*(5)H33 s(11.95%)p7.37(88.05%) 0.000502578 - 2.500799000
578 RY*(1)H34 s(97.34%)p0.03(2.66%) 0.002219922 - 0.707868058
579 RY*(2)H34 s(45.13%)p1.22(54.87%) -0.002165616 - 2.101420793
580 RY*(3)H34 s(2.45%)p39.85(97.55%) 0.003902682 - 2.000175341
581 RY*(4)H34 s(53.96%)p0.85(46.04%) 0.005575999 - 2.243034949
582 RY*(5)H34 s(1.14%)p86.35(98.86%) 0.000241949 - 2.820834145
583 RY*(1)H35 s(97.53%)p0.03(2.47%) 0.005795939 - 0.692436147
584 RY*(2)H35 s(45.42%)p1.20(54.58%) 0.007250193 - 2.029790816
585 RY*(3)H35 s(2.46%)p39.66(97.54%) 0.140007116 - 0.808478624
586 RY*(4)H35 s(53.20%)p0.88(46.80%) -0.001743937 - 2.068875832
587 RY*(5)H35 s(1.41%)p69.79(98.59%) 0.022179353 - 4.633127959
588 - **********

Natural Bond Orbitals

Orbital Description NHOs Occupancy Spin Energy () Actions
1 BD(1)C1-C2 1026, 1027 1.982876946 - -0.610341964
2 BD(1)C1-H33 1028, 1029 1.988620508 - -0.488388938
3 BD(1)C1-H34 1030, 1031 1.977037612 - -0.484605623
4 BD(1)C1-H35 1032, 1033 1.976226075 - -0.483870003
5 BD(1)C2-C3 1034, 1035 1.972605197 - -0.669243088
6 BD(1)C2-C7 1036, 1037 1.973285336 - -0.676120156
7 BD(2)C2-C7 1038, 1039 1.681103684 - -0.230150253
8 BD(1)C3-C4 1040, 1041 1.975832828 - -0.685101851
9 BD(2)C3-C4 1042, 1043 1.729596042 - -0.233783688
10 BD(1)C3-H32 1044, 1045 1.978445712 - -0.497426793
11 BD(1)C4-C5 1046, 1047 1.969960862 - -0.674507213
12 BD(1)C4-H31 1048, 1049 1.977921002 - -0.500298282
13 BD(1)C5-C6 1050, 1051 1.971922043 - -0.661037392
14 BD(2)C5-C6 1052, 1053 1.654790766 - -0.236415199
15 BD(1)C5-N10 1054, 1055 1.986491492 - -0.775071373
16 BD(1)C6-C7 1056, 1057 1.975161381 - -0.676425638
17 BD(1)C6-H9 1058, 1059 1.977171636 - -0.501626365
18 BD(1)C7-H8 1060, 1061 1.979137745 - -0.495203451
19 BD(1)N10-C11 1062, 1063 1.983722848 - -0.712478803
20 BD(1)N10-H30 1064, 1065 1.979097150 - -0.609746659
21 BD(1)C11-C12 1066, 1067 1.973394063 - -0.627403397
22 BD(1)C11-H28 1068, 1069 1.980019643 - -0.499744737
23 BD(1)C11-H29 1070, 1071 1.977855598 - -0.493173092
24 BD(1)C12-C13 1072, 1073 1.968232048 - -0.706867298
25 BD(2)C12-C13 1074, 1075 1.662939068 - -0.258112324
26 BD(1)C12-C17 1076, 1077 1.969969765 - -0.692471975
27 BD(1)C13-C14 1078, 1079 1.969776652 - -0.713785916
28 BD(1)C13-O26 1080, 1081 1.991671617 - -0.909810813
29 BD(1)C14-C15 1082, 1083 1.976227617 - -0.723267943
30 BD(2)C14-C15 1084, 1085 1.704876288 - -0.271613987
31 BD(1)C14-O21 1086, 1087 1.990556476 - -0.905452304
32 BD(1)C15-C16 1088, 1089 1.972795771 - -0.698055906
33 BD(1)C15-H20 1090, 1091 1.975946501 - -0.530926332
34 BD(1)C16-C17 1092, 1093 1.977239530 - -0.699537465
35 BD(2)C16-C17 1094, 1095 1.699082210 - -0.250372854
36 BD(1)C16-H19 1096, 1097 1.978779063 - -0.514900274
37 BD(1)C17-H18 1098, 1099 1.978173799 - -0.512711086
38 BD(1)O21-C22 1100, 1101 1.992945831 - -0.844900174
39 BD(1)C22-H23 1102, 1103 1.991445136 - -0.544575306
40 BD(1)C22-H24 1104, 1105 1.994691837 - -0.547579164
41 BD(1)C22-H25 1106, 1107 1.994717001 - -0.547601862
42 BD(1)O26-H27 1108, 1109 1.987751313 - -0.746936122
43 CR(1)C1 1110 1.999111680 - -10.010541935
44 CR(1)C2 1111 1.998999506 - -10.014449319
45 CR(1)C3 1112 1.999053372 - -10.008790485
46 CR(1)C4 1113 1.999064912 - -10.009771254
47 CR(1)C5 1114 1.998995893 - -10.056172165
48 CR(1)C6 1115 1.999062552 - -10.008061146
49 CR(1)C7 1116 1.999055721 - -10.008258352
50 CR(1)N10 1117 1.999331403 - -14.141643179
51 CR(1)C11 1118 1.999200877 - -10.066462424
52 CR(1)C12 1119 1.998959223 - -10.037332789
53 CR(1)C13 1120 1.998468805 - -10.103484501
54 CR(1)C14 1121 1.998725929 - -10.107390501
55 CR(1)C15 1122 1.999059057 - -10.035573927
56 CR(1)C16 1123 1.999170971 - -10.029063665
57 CR(1)C17 1124 1.999075430 - -10.024522665
58 CR(1)O21 1125 1.999742492 - -18.977581601
59 CR(1)C22 1126 1.999269954 - -10.117221480
60 CR(1)O26 1127 1.999754549 - -18.945771802
61 LP(1)N10 1128 1.809406633 - -0.265720092
62 LP(1)O21 1129 1.959895567 - -0.575166621
63 LP(2)O21 1130 1.863239601 - -0.331744948
64 LP(1)O26 1131 1.978074165 - -0.619991340
65 LP(2)O26 1132 1.880261394 - -0.332716662
66 RY*(1)C1 1133 0.003318595 - 0.720776180
67 RY*(2)C1 1134 0.000889836 - 1.065576102
68 RY*(3)C1 1135 0.000512885 - 1.351605090
69 RY*(4)C1 1136 0.000389756 - 1.684003600
70 RY*(5)C1 1137 0.000259458 - 0.930080778
71 RY*(6)C1 1138 0.000776912 - 2.027986659
72 RY*(7)C1 1139 0.000194930 - 1.308200282
73 RY*(8)C1 1140 0.000165918 - 1.002283605
74 RY*(9)C1 1141 0.001037217 - 2.267997012
75 RY*(10)C1 1142 0.000012865 - 0.432617998
76 RY*(11)C1 1143 0.000038831 - 0.658858131
77 RY*(12)C1 1144 0.000357444 - 2.807740510
78 RY*(13)C1 1145 0.000085185 - 22.718796368
79 RY*(14)C1 1146 0.000468106 - 2.981102320
80 RY*(15)C1 1147 0.000053537 - 1.160595108
81 RY*(16)C1 1148 0.000008174 - 2.975852112
82 RY*(17)C1 1149 0.000219159 - 1.664898370
83 RY*(18)C1 1150 0.000605905 - 3.108303315
84 RY*(19)C1 1151 0.000027445 - 1.554843462
85 RY*(20)C1 1152 0.000421520 - 3.237798992
86 RY*(21)C1 1153 0.001608019 - 2.092538615
87 RY*(22)C1 1154 0.000057502 - 3.445543789
88 RY*(1)C2 1155 0.006443949 - 1.388457783
89 RY*(2)C2 1156 0.002972384 - 1.200666533
90 RY*(3)C2 1157 0.001844313 - 0.755612225
91 RY*(4)C2 1158 0.001078163 - 2.463355597
92 RY*(5)C2 1159 0.000877446 - 2.142010496
93 RY*(6)C2 1160 0.000584067 - 1.254025172
94 RY*(7)C2 1161 0.000402920 - 3.127124574
95 RY*(8)C2 1162 0.000243546 - 2.252271640
96 RY*(9)C2 1163 0.000154551 - 1.737108495
97 RY*(10)C2 1164 0.000147149 - 3.898693349
98 RY*(11)C2 1165 0.000097209 - 2.176816116
99 RY*(12)C2 1166 0.000189103 - 2.698086163
100 RY*(13)C2 1167 0.000045952 - 3.167246627
101 RY*(14)C2 1168 0.000032084 - 2.627760976
102 RY*(15)C2 1169 0.000015256 - 2.506157641
103 RY*(16)C2 1170 0.000012185 - 1.700207325
104 RY*(17)C2 1171 0.000010040 - 1.129643188
105 RY*(18)C2 1172 0.000009487 - 3.365685867
106 RY*(19)C2 1173 0.000006744 - 2.727387947
107 RY*(20)C2 1174 0.000066761 - 1.661215239
108 RY*(21)C2 1175 0.000001166 - 1.580978674
109 RY*(22)C2 1176 0.000002309 - 18.973735360
110 RY*(1)C3 1177 0.006191469 - 1.298542461
111 RY*(2)C3 1178 0.002171844 - 1.184168596
112 RY*(3)C3 1179 0.000935436 - 0.783461511
113 RY*(4)C3 1180 0.000778911 - 1.886798334
114 RY*(5)C3 1181 0.000532214 - 2.038613041
115 RY*(6)C3 1182 0.000596719 - 1.915196661
116 RY*(7)C3 1183 0.000140675 - 2.210815507
117 RY*(8)C3 1184 0.000143719 - 3.107071099
118 RY*(9)C3 1185 0.000131302 - 1.742267847
119 RY*(10)C3 1186 0.000346544 - 1.402946722
120 RY*(11)C3 1187 0.000049829 - 1.976864572
121 RY*(12)C3 1188 0.000052067 - 2.996090956
122 RY*(13)C3 1189 0.000267669 - 3.185982637
123 RY*(14)C3 1190 0.000024541 - 0.878436593
124 RY*(15)C3 1191 0.000006131 - 2.894864541
125 RY*(16)C3 1192 0.000034633 - 2.722216454
126 RY*(17)C3 1193 0.000013722 - 0.827820064
127 RY*(18)C3 1194 0.000008467 - 3.359065049
128 RY*(19)C3 1195 0.000004323 - 18.913280139
129 RY*(20)C3 1196 0.000015832 - 3.063637146
130 RY*(21)C3 1197 0.000007333 - 1.880316433
131 RY*(22)C3 1198 0.000002674 - 2.895344086
132 RY*(1)C4 1199 0.005884937 - 1.314646667
133 RY*(2)C4 1200 0.002329343 - 1.249380920
134 RY*(3)C4 1201 0.000911943 - 0.627439055
135 RY*(4)C4 1202 0.000884484 - 1.887903647
136 RY*(5)C4 1203 0.000485153 - 2.063439578
137 RY*(6)C4 1204 0.000413716 - 1.956568031
138 RY*(7)C4 1205 0.000196628 - 1.378757126
139 RY*(8)C4 1206 0.000179146 - 2.491430707
140 RY*(9)C4 1207 0.000136582 - 1.925946181
141 RY*(10)C4 1208 0.000065116 - 2.213355421
142 RY*(11)C4 1209 0.000061102 - 1.716990850
143 RY*(12)C4 1210 0.000052720 - 2.277258643
144 RY*(13)C4 1211 0.000058441 - 2.746829092
145 RY*(14)C4 1212 0.000013180 - 2.469919353
146 RY*(15)C4 1213 0.000037430 - 1.743736821
147 RY*(16)C4 1214 0.000014020 - 1.972005923
148 RY*(17)C4 1215 0.000009024 - 1.938813582
149 RY*(18)C4 1216 0.000007400 - 3.381909161
150 RY*(19)C4 1217 0.000014920 - 2.441878007
151 RY*(20)C4 1218 0.000009760 - 19.513160892
152 RY*(21)C4 1219 0.000003499 - 2.701155956
153 RY*(22)C4 1220 0.000001563 - 3.300441861
154 RY*(1)C5 1221 0.005658422 - 1.382648881
155 RY*(2)C5 1222 0.004619619 - 1.391552112
156 RY*(3)C5 1223 0.001879052 - 1.871326389
157 RY*(4)C5 1224 0.001048353 - 0.978845548
158 RY*(5)C5 1225 0.000846834 - 2.204729767
159 RY*(6)C5 1226 0.000647351 - 2.546843819
160 RY*(7)C5 1227 0.000483634 - 2.809813335
161 RY*(8)C5 1228 0.000403377 - 2.211308950
162 RY*(9)C5 1229 0.000344634 - 1.984074154
163 RY*(10)C5 1230 0.000116174 - 2.282267750
164 RY*(11)C5 1231 0.000106807 - 1.808715666
165 RY*(12)C5 1232 0.000113842 - 2.476223632
166 RY*(13)C5 1233 0.000128714 - 3.258551481
167 RY*(14)C5 1234 0.000087042 - 3.640239380
168 RY*(15)C5 1235 0.000050013 - 1.868396419
169 RY*(16)C5 1236 0.000037302 - 4.006558692
170 RY*(17)C5 1237 0.000071447 - 1.846869411
171 RY*(18)C5 1238 0.000206724 - 3.141908718
172 RY*(19)C5 1239 0.000019513 - 15.978084399
173 RY*(20)C5 1240 0.000008569 - 2.905587299
174 RY*(21)C5 1241 0.000022368 - 2.404291511
175 RY*(22)C5 1242 0.000044664 - 1.669617798
176 RY*(1)C6 1243 0.005196959 - 1.323118466
177 RY*(2)C6 1244 0.001989534 - 1.054245992
178 RY*(3)C6 1245 0.001812049 - 1.016736225
179 RY*(4)C6 1246 0.000769939 - 1.930077818
180 RY*(5)C6 1247 0.000536564 - 2.133041292
181 RY*(6)C6 1248 0.000373694 - 1.586551247
182 RY*(7)C6 1249 0.000261881 - 1.398764133
183 RY*(8)C6 1250 0.000202109 - 1.440369344
184 RY*(9)C6 1251 0.000132696 - 2.797986908
185 RY*(10)C6 1252 0.000100501 - 1.792808710
186 RY*(11)C6 1253 0.000059986 - 1.353850498
187 RY*(12)C6 1254 0.000088660 - 3.324469569
188 RY*(13)C6 1255 0.000041916 - 2.602534525
189 RY*(14)C6 1256 0.000019118 - 2.295064382
190 RY*(15)C6 1257 0.000030907 - 1.463048679
191 RY*(16)C6 1258 0.000024523 - 2.753633016
192 RY*(17)C6 1259 0.000018942 - 4.747597410
193 RY*(18)C6 1260 0.000005104 - 3.486166470
194 RY*(19)C6 1261 0.000001928 - 2.906766578
195 RY*(20)C6 1262 0.000016508 - 16.588876315
196 RY*(21)C6 1263 0.000010848 - 2.411341541
197 RY*(22)C6 1264 0.000001116 - 3.374663333
198 RY*(1)C7 1265 0.006137394 - 1.305666957
199 RY*(2)C7 1266 0.002175324 - 1.142056194
200 RY*(3)C7 1267 0.000844675 - 0.611822563
201 RY*(4)C7 1268 0.000806593 - 2.106410029
202 RY*(5)C7 1269 0.000549607 - 2.551869179
203 RY*(6)C7 1270 0.000365242 - 1.639408454
204 RY*(7)C7 1271 0.000348083 - 2.535052949
205 RY*(8)C7 1272 0.000171057 - 2.492311574
206 RY*(9)C7 1273 0.000102874 - 1.302228498
207 RY*(10)C7 1274 0.000070641 - 1.183800269
208 RY*(11)C7 1275 0.000065842 - 1.244037145
209 RY*(12)C7 1276 0.000064528 - 3.214693002
210 RY*(13)C7 1277 0.000211891 - 3.905994334
211 RY*(14)C7 1278 0.000055279 - 3.109356506
212 RY*(15)C7 1279 0.000023527 - 0.967151120
213 RY*(16)C7 1280 0.000051763 - 2.957151676
214 RY*(17)C7 1281 0.000005845 - 18.878238207
215 RY*(18)C7 1282 0.000027428 - 3.138987522
216 RY*(19)C7 1283 0.000026064 - 0.586813075
217 RY*(20)C7 1284 0.000015922 - 2.978951537
218 RY*(21)C7 1285 0.000010519 - 2.239565975
219 RY*(22)C7 1286 0.000011350 - 3.113567732
220 RY*(1)H8 1287 0.000757627 - 1.301695866
221 RY*(2)H8 1288 0.000196630 - 1.954396181
222 RY*(3)H8 1289 0.000151313 - 2.132893998
223 RY*(4)H8 1290 0.000048049 - 2.643545728
224 RY*(5)H8 1291 0.000041409 - 2.621775706
225 RY*(1)H9 1292 0.000812716 - 1.357505755
226 RY*(2)H9 1293 0.000255667 - 1.978701857
227 RY*(3)H9 1294 0.000135599 - 1.947967871
228 RY*(4)H9 1295 0.000054393 - 2.685154608
229 RY*(5)H9 1296 0.000038125 - 2.689056803
230 RY*(1)N10 1297 0.004979381 - 0.807865624
231 RY*(2)N10 1298 0.002768439 - 0.975679757
232 RY*(3)N10 1299 0.001725827 - 1.018778188
233 RY*(4)N10 1300 0.000975045 - 1.222197908
234 RY*(5)N10 1301 0.000776311 - 0.866108073
235 RY*(6)N10 1302 0.000473801 - 1.432615218
236 RY*(7)N10 1303 0.000268808 - 2.048287027
237 RY*(8)N10 1304 0.000226799 - 1.763579677
238 RY*(9)N10 1305 0.000178947 - 2.357322936
239 RY*(10)N10 1306 0.000110901 - 1.577711736
240 RY*(11)N10 1307 0.000089474 - 2.468043030
241 RY*(12)N10 1308 0.000080491 - 2.066532163
242 RY*(13)N10 1309 0.000035427 - 3.715950691
243 RY*(14)N10 1310 0.000037044 - 3.512615401
244 RY*(15)N10 1311 0.000031351 - 2.494056647
245 RY*(16)N10 1312 0.000011150 - 3.976513943
246 RY*(17)N10 1313 0.000019255 - 4.628317069
247 RY*(18)N10 1314 0.000003385 - 4.448173501
248 RY*(19)N10 1315 0.000002029 - 4.073315281
249 RY*(20)N10 1316 0.000005911 - 3.952922453
250 RY*(21)N10 1317 0.000000115 - 35.034338021
251 RY*(22)N10 1318 0.000000643 - 4.704290470
252 RY*(1)C11 1319 0.005370017 - 0.894234359
253 RY*(2)C11 1320 0.003460563 - 1.035994625
254 RY*(3)C11 1321 0.001834971 - 1.350676258
255 RY*(4)C11 1322 0.001239054 - 0.979552044
256 RY*(5)C11 1323 0.000777600 - 1.512635735
257 RY*(6)C11 1324 0.000556615 - 1.422908187
258 RY*(7)C11 1325 0.000358146 - 1.508381568
259 RY*(8)C11 1326 0.000272498 - 2.152652294
260 RY*(9)C11 1327 0.000225778 - 1.545931497
261 RY*(10)C11 1328 0.000176566 - 1.704106042
262 RY*(11)C11 1329 0.000108069 - 1.866348246
263 RY*(12)C11 1330 0.000068933 - 3.187923736
264 RY*(13)C11 1331 0.000044344 - 1.843351070
265 RY*(14)C11 1332 0.000048184 - 2.722040687
266 RY*(15)C11 1333 0.000015973 - 1.963694725
267 RY*(16)C11 1334 0.000013097 - 3.096898337
268 RY*(17)C11 1335 0.000018946 - 1.661740097
269 RY*(18)C11 1336 0.000022770 - 3.475925280
270 RY*(19)C11 1337 0.000005409 - 2.810729267
271 RY*(20)C11 1338 0.000010007 - 3.131056841
272 RY*(21)C11 1339 0.000000522 - 20.774785990
273 RY*(22)C11 1340 0.000004199 - 3.486882020
274 RY*(1)C12 1341 0.006240044 - 1.329729618
275 RY*(2)C12 1342 0.004252856 - 1.018275739
276 RY*(3)C12 1343 0.002840984 - 0.966333757
277 RY*(4)C12 1344 0.001150667 - 1.571107626
278 RY*(5)C12 1345 0.000693830 - 2.629005479
279 RY*(6)C12 1346 0.000514279 - 2.791511921
280 RY*(7)C12 1347 0.000425018 - 1.833073240
281 RY*(8)C12 1348 0.000340283 - 2.093402360
282 RY*(9)C12 1349 0.000245150 - 1.461938665
283 RY*(10)C12 1350 0.000161454 - 2.463133388
284 RY*(11)C12 1351 0.000124870 - 2.370124833
285 RY*(12)C12 1352 0.000100801 - 2.446961853
286 RY*(13)C12 1353 0.000070674 - 2.579426783
287 RY*(14)C12 1354 0.000067921 - 3.875169650
288 RY*(15)C12 1355 0.000052503 - 2.835698183
289 RY*(16)C12 1356 0.000023529 - 2.646629380
290 RY*(17)C12 1357 0.000023564 - 3.065985390
291 RY*(18)C12 1358 0.000008073 - 17.960708991
292 RY*(19)C12 1359 0.000012269 - 1.874921138
293 RY*(20)C12 1360 0.000018529 - 1.975263025
294 RY*(21)C12 1361 0.000004071 - 2.835254558
295 RY*(22)C12 1362 0.000005716 - 3.251606227
296 RY*(1)C13 1363 0.006789378 - 1.248124534
297 RY*(2)C13 1364 0.003549280 - 1.501503587
298 RY*(3)C13 1365 0.002425649 - 1.242041862
299 RY*(4)C13 1366 0.001434404 - 1.915643935
300 RY*(5)C13 1367 0.001076431 - 2.454370500
301 RY*(6)C13 1368 0.000633721 - 2.210930331
302 RY*(7)C13 1369 0.000512210 - 2.106105122
303 RY*(8)C13 1370 0.000434227 - 2.592746999
304 RY*(9)C13 1371 0.000306759 - 1.312108988
305 RY*(10)C13 1372 0.000229311 - 2.704036838
306 RY*(11)C13 1373 0.000196168 - 2.104124486
307 RY*(12)C13 1374 0.000129304 - 2.576586377
308 RY*(13)C13 1375 0.000062171 - 4.791625193
309 RY*(14)C13 1376 0.000045624 - 3.347672833
310 RY*(15)C13 1377 0.000033447 - 7.994902550
311 RY*(16)C13 1378 0.000023282 - 1.993245484
312 RY*(17)C13 1379 0.000029616 - 4.478825919
313 RY*(18)C13 1380 0.000008844 - 2.127062243
314 RY*(19)C13 1381 0.000004704 - 2.416191821
315 RY*(20)C13 1382 0.000007802 - 6.294062478
316 RY*(21)C13 1383 0.000002640 - 5.734520830
317 RY*(1)C14 1384 0.006251879 - 1.346062986
318 RY*(2)C14 1385 0.003777065 - 1.369439450
319 RY*(3)C14 1386 0.001761764 - 1.547620729
320 RY*(4)C14 1387 0.001537472 - 1.354130378
321 RY*(5)C14 1388 0.000797057 - 1.706115741
322 RY*(6)C14 1389 0.000781161 - 2.610494380
323 RY*(7)C14 1390 0.000419825 - 1.898689836
324 RY*(8)C14 1391 0.000355583 - 2.780823432
325 RY*(9)C14 1392 0.000324006 - 2.158568116
326 RY*(10)C14 1393 0.000183558 - 2.002362555
327 RY*(11)C14 1394 0.000156554 - 2.530252625
328 RY*(12)C14 1395 0.000131123 - 2.358666544
329 RY*(13)C14 1396 0.000104260 - 2.032156363
330 RY*(14)C14 1397 0.000079182 - 2.741232476
331 RY*(15)C14 1398 0.000052115 - 3.014487095
332 RY*(16)C14 1399 0.000029718 - 3.805756683
333 RY*(17)C14 1400 0.000018290 - 0.994897879
334 RY*(18)C14 1401 0.000016711 - 2.618609983
335 RY*(19)C14 1402 0.000009863 - 16.079296679
336 RY*(20)C14 1403 0.000001878 - 2.274286723
337 RY*(21)C14 1404 0.000003278 - 3.251904600
338 RY*(22)C14 1405 0.000000510 - 2.778665798
339 RY*(1)C15 1406 0.004742417 - 1.363895834
340 RY*(2)C15 1407 0.001769009 - 1.498552643
341 RY*(3)C15 1408 0.001397033 - 0.424778833
342 RY*(4)C15 1409 0.000857600 - 2.297462638
343 RY*(5)C15 1410 0.000564528 - 2.043595779
344 RY*(6)C15 1411 0.000488146 - 1.265049543
345 RY*(7)C15 1412 0.000242633 - 1.984792647
346 RY*(8)C15 1413 0.000219616 - 1.142691349
347 RY*(9)C15 1414 0.000186780 - 1.183252984
348 RY*(10)C15 1415 0.000098672 - 2.312940398
349 RY*(11)C15 1416 0.000063593 - 3.020761990
350 RY*(12)C15 1417 0.000046806 - 3.398357767
351 RY*(13)C15 1418 0.000018106 - 3.287873108
352 RY*(14)C15 1419 0.000011535 - 3.021808576
353 RY*(15)C15 1420 0.000008690 - 2.056186798
354 RY*(16)C15 1421 0.000011524 - 1.534812919
355 RY*(17)C15 1422 0.000000896 - 3.299956987
356 RY*(18)C15 1423 0.000010866 - 2.036520685
357 RY*(19)C15 1424 0.000004757 - 1.038048385
358 RY*(20)C15 1425 0.000001687 - 2.807131716
359 RY*(21)C15 1426 0.000003154 - 18.984834903
360 RY*(22)C15 1427 0.000003058 - 3.320139131
361 RY*(1)C16 1428 0.006339061 - 1.249533575
362 RY*(2)C16 1429 0.002342076 - 1.246787260
363 RY*(3)C16 1430 0.001084416 - 0.510554774
364 RY*(4)C16 1431 0.000571083 - 2.153832758
365 RY*(5)C16 1432 0.000523230 - 1.718373316
366 RY*(6)C16 1433 0.000421945 - 2.972397020
367 RY*(7)C16 1434 0.000221688 - 2.055870700
368 RY*(8)C16 1435 0.000111600 - 1.552258090
369 RY*(9)C16 1436 0.000091060 - 2.242315952
370 RY*(10)C16 1437 0.000048869 - 2.733265944
371 RY*(11)C16 1438 0.000037418 - 2.102431323
372 RY*(12)C16 1439 0.000038167 - 2.580857830
373 RY*(13)C16 1440 0.000040046 - 2.067605916
374 RY*(14)C16 1441 0.000031664 - 2.634755917
375 RY*(15)C16 1442 0.000015052 - 1.581018995
376 RY*(16)C16 1443 0.000001981 - 0.618758224
377 RY*(17)C16 1444 0.000001209 - 3.141202800
378 RY*(18)C16 1445 0.000004596 - 2.775466043
379 RY*(19)C16 1446 0.000004110 - 2.463818275
380 RY*(20)C16 1447 0.000004110 - 1.512208896
381 RY*(21)C16 1448 0.000001383 - 19.115272956
382 RY*(22)C16 1449 0.000000708 - 3.383461899
383 RY*(1)C17 1450 0.005979703 - 1.349664969
384 RY*(2)C17 1451 0.002200873 - 1.070574893
385 RY*(3)C17 1452 0.001292223 - 0.532400018
386 RY*(4)C17 1453 0.000685589 - 1.737365103
387 RY*(5)C17 1454 0.000571689 - 2.250544756
388 RY*(6)C17 1455 0.000491755 - 2.540595953
389 RY*(7)C17 1456 0.000398576 - 1.833088249
390 RY*(8)C17 1457 0.000182355 - 2.478046629
391 RY*(9)C17 1458 0.000093683 - 2.237638796
392 RY*(10)C17 1459 0.000061704 - 2.123000541
393 RY*(11)C17 1460 0.000058762 - 2.051921858
394 RY*(12)C17 1461 0.000032767 - 2.385924552
395 RY*(13)C17 1462 0.000038408 - 1.334480752
396 RY*(14)C17 1463 0.000008043 - 2.713917993
397 RY*(15)C17 1464 0.000017176 - 2.195368287
398 RY*(16)C17 1465 0.000008139 - 2.351007638
399 RY*(17)C17 1466 0.000013450 - 2.203466359
400 RY*(18)C17 1467 0.000015565 - 3.062736953
401 RY*(19)C17 1468 0.000002148 - 2.894533949
402 RY*(20)C17 1469 0.000001178 - 17.482907910
403 RY*(21)C17 1470 0.000000799 - 3.132674635
404 RY*(22)C17 1471 0.000002480 - 3.321541048
405 RY*(1)H18 1472 0.000621430 - 1.373054010
406 RY*(2)H18 1473 0.000211719 - 1.967584362
407 RY*(3)H18 1474 0.000167920 - 2.048764755
408 RY*(4)H18 1475 0.000045840 - 2.618793929
409 RY*(5)H18 1476 0.000036824 - 2.631798511
410 RY*(1)H19 1477 0.000630353 - 1.149238512
411 RY*(2)H19 1478 0.000224167 - 1.923412400
412 RY*(3)H19 1479 0.000163966 - 2.138556046
413 RY*(4)H19 1480 0.000042403 - 2.671997365
414 RY*(5)H19 1481 0.000045024 - 2.607309950
415 RY*(1)H20 1482 0.000767653 - 1.186167919
416 RY*(2)H20 1483 0.000252791 - 1.932530904
417 RY*(3)H20 1484 0.000155265 - 1.938294623
418 RY*(4)H20 1485 0.000042993 - 2.597832265
419 RY*(5)H20 1486 0.000049084 - 2.780053748
420 RY*(1)O21 1487 0.004428291 - 0.697086348
421 RY*(2)O21 1488 0.004114069 - 0.810941997
422 RY*(3)O21 1489 0.001203660 - 1.189719722
423 RY*(4)O21 1490 0.000600121 - 1.302967052
424 RY*(5)O21 1491 0.000421715 - 0.779457314
425 RY*(6)O21 1492 0.000257931 - 2.587471420
426 RY*(7)O21 1493 0.000207398 - 1.597341638
427 RY*(8)O21 1494 0.000192573 - 2.232358795
428 RY*(9)O21 1495 0.000076505 - 1.452447787
429 RY*(10)O21 1496 0.000046120 - 2.532830017
430 RY*(11)O21 1497 0.000037370 - 4.761233747
431 RY*(12)O21 1498 0.000012749 - 2.312870428
432 RY*(13)O21 1499 0.000007456 - 2.390154388
433 RY*(14)O21 1500 0.000003024 - 6.915046051
434 RY*(15)O21 1501 0.000004455 - 4.940290075
435 RY*(16)O21 1502 0.000010495 - 2.239308435
436 RY*(17)O21 1503 0.000000039 - 49.276852357
437 RY*(18)O21 1504 0.000000359 - 6.728137306
438 RY*(19)O21 1505 0.000000686 - 4.866135415
439 RY*(20)O21 1506 0.000003142 - 6.765488591
440 RY*(21)O21 1507 0.000000265 - 6.384588784
441 RY*(22)O21 1508 0.000001544 - 6.824053300
442 RY*(1)C22 1509 0.002966513 - 1.156873895
443 RY*(2)C22 1510 0.002505554 - 1.310405021
444 RY*(3)C22 1511 0.001554413 - 0.814546354
445 RY*(4)C22 1512 0.000339452 - 1.802098139
446 RY*(5)C22 1513 0.000311930 - 0.710102414
447 RY*(6)C22 1514 0.000147670 - 1.436953176
448 RY*(7)C22 1515 0.000087250 - 1.036048988
449 RY*(8)C22 1516 0.000035667 - 1.869073192
450 RY*(9)C22 1517 0.000019524 - 1.238906940
451 RY*(10)C22 1518 0.000009884 - 1.470676862
452 RY*(11)C22 1519 0.000002215 - 1.661814383
453 RY*(12)C22 1520 0.000002234 - 2.220316284
454 RY*(13)C22 1521 0.000000526 - 22.692115638
455 RY*(14)C22 1522 0.000004668 - 2.530477308
456 RY*(15)C22 1523 0.000009697 - 1.296706438
457 RY*(16)C22 1524 0.000001284 - 2.884431478
458 RY*(17)C22 1525 0.000007293 - 2.279756030
459 RY*(18)C22 1526 0.000000948 - 3.123078581
460 RY*(19)C22 1527 0.000003139 - 1.781117399
461 RY*(20)C22 1528 0.000001433 - 2.924579472
462 RY*(21)C22 1529 0.000002437 - 2.513409728
463 RY*(22)C22 1530 0.000001851 - 2.641814253
464 RY*(1)H23 1531 0.000361276 - 0.525992115
465 RY*(2)H23 1532 0.000153575 - 2.152553150
466 RY*(3)H23 1533 0.000130492 - 1.788832247
467 RY*(4)H23 1534 0.000061804 - 2.179494906
468 RY*(5)H23 1535 0.000015533 - 2.503676571
469 RY*(1)H24 1536 0.001602292 - 0.545039819
470 RY*(2)H24 1537 0.000211476 - 2.066055901
471 RY*(3)H24 1538 0.000096233 - 2.048452978
472 RY*(4)H24 1539 0.000100528 - 2.024336103
473 RY*(5)H24 1540 0.000025592 - 2.574615112
474 RY*(1)H25 1541 0.001618861 - 0.544697433
475 RY*(2)H25 1542 0.000210374 - 2.063431574
476 RY*(3)H25 1543 0.000106614 - 1.944678533
477 RY*(4)H25 1544 0.000089564 - 2.119230924
478 RY*(5)H25 1545 0.000025674 - 2.584875705
479 RY*(1)O26 1546 0.003113476 - 0.580774980
480 RY*(2)O26 1547 0.001298351 - 1.130602204
481 RY*(3)O26 1548 0.000688169 - 1.068764293
482 RY*(4)O26 1549 0.000299673 - 1.948191572
483 RY*(5)O26 1550 0.000120998 - 1.955044376
484 RY*(6)O26 1551 0.000103223 - 1.906550550
485 RY*(7)O26 1552 0.000089937 - 2.267779756
486 RY*(8)O26 1553 0.000059789 - 2.266850145
487 RY*(9)O26 1554 0.000040355 - 1.420713070
488 RY*(10)O26 1555 0.000016167 - 4.719705407
489 RY*(11)O26 1556 0.000023618 - 1.321375116
490 RY*(12)O26 1557 0.000017241 - 1.593447784
491 RY*(13)O26 1558 0.000025107 - 2.574206003
492 RY*(14)O26 1559 0.000002439 - 6.680171535
493 RY*(15)O26 1560 0.000000404 - 4.931674732
494 RY*(16)O26 1561 0.000000509 - 6.644519873
495 RY*(17)O26 1562 0.000004418 - 2.150915635
496 RY*(18)O26 1563 0.000001038 - 6.394819993
497 RY*(19)O26 1564 0.000008282 - 4.187419746
498 RY*(20)O26 1565 0.000001410 - 6.132070775
499 RY*(21)O26 1566 0.000000040 - 49.630427510
500 RY*(22)O26 1567 0.000000670 - 6.814705379
501 RY*(1)H27 1568 0.001224178 - 2.016773287
502 RY*(2)H27 1569 0.000747697 - 1.928376433
503 RY*(3)H27 1570 0.000348190 - 2.196002647
504 RY*(4)H27 1571 0.000113828 - 2.176282940
505 RY*(5)H27 1572 0.000016031 - 1.917850204
506 RY*(1)H28 1573 0.001247792 - 0.889911834
507 RY*(2)H28 1574 0.000256269 - 2.109312795
508 RY*(3)H28 1575 0.000077085 - 2.456753630
509 RY*(4)H28 1576 0.000048215 - 2.837425851
510 RY*(5)H28 1577 0.000057007 - 2.216593857
511 RY*(1)H29 1578 0.002630040 - 0.756453604
512 RY*(2)H29 1579 0.000227368 - 2.235414360
513 RY*(3)H29 1580 0.000134551 - 2.279384956
514 RY*(4)H29 1581 0.000110759 - 2.361647900
515 RY*(5)H29 1582 0.000048533 - 2.964289383
516 RY*(1)H30 1583 0.002576401 - 0.900815327
517 RY*(2)H30 1584 0.000516247 - 2.099344874
518 RY*(3)H30 1585 0.000362256 - 2.332951895
519 RY*(4)H30 1586 0.000169618 - 2.371031044
520 RY*(5)H30 1587 0.000032761 - 2.935226782
521 RY*(1)H31 1588 0.000841009 - 1.416426617
522 RY*(2)H31 1589 0.000232276 - 1.968385365
523 RY*(3)H31 1590 0.000141051 - 2.004853140
524 RY*(4)H31 1591 0.000056327 - 2.577264541
525 RY*(5)H31 1592 0.000038657 - 2.662169282
526 RY*(1)H32 1593 0.000654968 - 1.283734006
527 RY*(2)H32 1594 0.000194484 - 1.952649721
528 RY*(3)H32 1595 0.000165485 - 2.122955279
529 RY*(4)H32 1596 0.000044655 - 2.628876928
530 RY*(5)H32 1597 0.000048241 - 2.624575452
531 RY*(1)H33 1598 0.000810165 - 0.871229385
532 RY*(2)H33 1599 0.000385241 - 2.099024365
533 RY*(3)H33 1600 0.002431059 - 2.011831786
534 RY*(4)H33 1601 0.000332297 - 2.314647795
535 RY*(5)H33 1602 0.000467882 - 2.502194072
536 RY*(1)H34 1603 0.000911280 - 0.705769095
537 RY*(2)H34 1604 0.001004519 - 2.064529976
538 RY*(3)H34 1605 0.001552096 - 2.027883439
539 RY*(4)H34 1606 0.002076266 - 2.222800539
540 RY*(5)H34 1607 0.000120676 - 2.820790881
541 RY*(1)H35 1608 0.002695377 - 0.700410409
542 RY*(2)H35 1609 0.005187202 - 2.041166879
543 RY*(3)H35 1610 0.138837112 - 0.857058025
544 RY*(4)H35 1611 0.019223251 - 1.964940201
545 RY*(5)H35 1612 0.054698053 - 2.935923749
546 BD*(1)C1-C2 0.016507530 - 0.432497848
547 BD*(1)C1-H33 0.004060258 - 0.410049111
548 BD*(1)C1-H34 0.010691171 - 0.404658843
549 BD*(1)C1-H35 0.010044972 - 0.404839503
550 BD*(1)C2-C3 0.024746032 - 0.589942225
551 BD*(1)C2-C7 0.023428855 - 0.605770769
552 BD*(2)C2-C7 0.355139797 - 0.056191857
553 BD*(1)C3-C4 0.012993105 - 0.602503002
554 BD*(2)C3-C4 0.323744002 - 0.048514190
555 BD*(1)C3-H32 0.014364525 - 0.445939795
556 BD*(1)C4-C5 0.022178798 - 0.569562298
557 BD*(1)C4-H31 0.013949459 - 0.439111989
558 BD*(1)C5-C6 0.024915053 - 0.578517589
559 BD*(2)C5-C6 0.401112329 - 0.045391961
560 BD*(1)C5-N10 0.025238190 - 0.458734971
561 BD*(1)C6-C7 0.013715219 - 0.592173799
562 BD*(1)C6-H9 0.013508765 - 0.450632569
563 BD*(1)C7-H8 0.014629414 - 0.448241718
564 BD*(1)N10-C11 0.021988146 - 0.358992878
565 BD*(1)N10-H30 0.017612292 - 0.424332078
566 BD*(1)C11-C12 0.019723841 - 0.417907694
567 BD*(1)C11-H28 0.018207888 - 0.396843315
568 BD*(1)C11-H29 0.032636740 - 0.387382477
569 BD*(1)C12-C13 0.030039003 - 0.556575420
570 BD*(2)C12-C13 0.387001397 - 0.028942428
571 BD*(1)C12-C17 0.019875114 - 0.575188339
572 BD*(1)C13-C14 0.035207606 - 0.533276898
573 BD*(1)C13-O26 0.021845765 - 0.348081891
574 BD*(1)C14-C15 0.037977205 - 0.708690606
575 BD*(2)C14-C15 0.402090489 - 0.018882253
576 BD*(1)C14-O21 0.028941797 - 0.333840715
577 BD*(1)C15-C16 0.014760743 - 0.568585199
578 BD*(1)C15-H20 0.014019964 - 0.428665142
579 BD*(1)C16-C17 0.018226877 - 0.625679368
580 BD*(2)C16-C17 0.349695766 - 0.109827740
581 BD*(1)C16-H19 0.014813166 - 0.450382419
582 BD*(1)C17-H18 0.014013924 - 0.437123198
583 BD*(1)O21-C22 0.010116762 - 0.275498521
584 BD*(1)C22-H23 0.010172156 - 0.392227734
585 BD*(1)C22-H24 0.032008608 - 0.521772010
586 BD*(1)C22-H25 0.047950585 - 0.712757548
587 BD*(1)O26-H27 0.078733455 - 1.188008422
588 - **********

Quote

ON THE CHOICE OF THE CORRECT LANGUAGE - I SPEAK SPANISH TO GOD, ITALIAN TO WOMEN, FRENCH TO MEN, AND GERMAN TO MY HORSE. -- CHARLES V