circumcoronene_anion.txt
19.4 KB
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
501
502
503
504
505
506
507
508
509
510
511
512
513
514
515
516
517
518
519
520
521
522
523
524
525
526
527
528
529
530
531
532
533
534
535
536
537
538
539
540
541
542
543
544
545
546
547
548
549
550
551
552
553
554
555
556
557
558
559
560
561
562
563
564
565
566
567
568
569
570
571
572
573
574
575
576
577
578
579
580
581
582
583
584
585
586
587
588
589
590
591
592
593
594
595
596
597
598
599
600
601
0.0000000 0.0000000
0.050000000 0.011532694
0.10000000 0.046703298
0.15000000 0.10742000
0.20000000 0.19680836
0.25000000 0.32014145
0.30000000 0.48575365
0.35000000 0.70486511
0.40000000 0.99497155
0.45000000 1.3809123
0.50000000 1.8907399
0.55000000 2.5502954
0.60000000 3.3500998
0.65000000 4.1959799
0.70000000 4.9504560
0.75000000 5.5793515
0.80000000 6.2298486
0.85000000 7.1331434
0.90000000 8.4701025
0.95000000 10.323259
1.0000000 12.572945
1.0500000 14.693427
1.1000000 15.917555
1.1500000 15.930230
1.2000000 15.214983
1.2500000 14.505560
1.3000000 14.194835
1.3500000 14.328839
1.4000000 14.737337
1.4500000 15.175921
1.5000000 15.631714
1.5500000 16.346344
1.6000000 17.534886
1.6500000 19.346511
1.7000000 21.907722
1.7500000 25.246247
1.8000000 29.358726
1.8500000 34.118922
1.9000000 39.066901
1.9500000 43.928262
2.0000000 49.314706
2.0500000 56.488393
2.1000000 66.901805
2.1500000 82.065059
2.2000000 103.21780
2.2500000 130.80660
2.3000000 162.60747
2.3500000 190.53767
2.4000000 202.65176
2.4500000 193.07842
2.5000000 168.08168
2.5500000 139.22739
2.6000000 113.79817
2.6500000 93.690274
2.7000000 78.677175
2.7500000 67.776956
2.8000000 59.882328
2.8500000 54.370330
2.9000000 50.760889
2.9500000 48.586095
3.0000000 47.667390
3.0500000 47.832021
3.1000000 48.858794
3.1500000 50.863966
3.2000000 54.095244
3.2500000 58.640196
3.3000000 64.620962
3.3500000 72.204077
3.4000000 81.521258
3.4500000 92.697436
3.5000000 105.42320
3.5500000 118.51615
3.6000000 130.18044
3.6500000 138.77484
3.7000000 144.05196
3.7500000 147.88129
3.8000000 152.70127
3.8500000 159.00551
3.9000000 165.10711
3.9500000 169.39415
4.0000000 172.61766
4.0500000 177.78554
4.1000000 187.41294
4.1500000 201.18650
4.2000000 216.04118
4.2500000 226.94552
4.3000000 228.77547
4.3500000 220.52701
4.4000000 207.00977
4.4500000 194.70345
4.5000000 187.70197
4.5500000 187.76334
4.6000000 195.34284
4.6500000 210.52204
4.7000000 234.20863
4.7500000 267.74108
4.8000000 312.26234
4.8500000 369.81312
4.9000000 443.33811
4.9500000 535.11661
5.0000000 644.17505
5.0500000 759.22919
5.1000000 854.32466
5.1500000 902.60960
5.2000000 898.73110
5.2500000 861.33608
5.3000000 814.06175
5.3500000 769.81023
5.4000000 729.54273
5.4500000 688.25188
5.5000000 641.16505
5.5500000 587.11631
5.6000000 528.76183
5.6500000 471.90369
5.7000000 423.48066
5.7500000 387.88409
5.8000000 365.46248
5.8500000 353.78178
5.9000000 348.57160
5.9500000 345.28845
6.0000000 341.33999
6.0500000 335.02780
6.1000000 323.46949
6.1500000 304.95672
6.2000000 281.96249
6.2500000 259.02217
6.3000000 238.88394
6.3500000 221.84804
6.4000000 207.28615
6.4500000 194.94615
6.5000000 185.17357
6.5500000 178.34095
6.6000000 174.77511
6.6500000 175.11405
6.7000000 179.84797
6.7500000 188.61026
6.8000000 200.05789
6.8500000 211.59801
6.9000000 219.50508
6.9500000 220.91511
7.0000000 216.09715
7.0500000 208.13304
7.1000000 200.20756
7.1500000 193.32358
7.2000000 186.52648
7.2500000 178.96549
7.3000000 171.22694
7.3500000 164.72898
7.4000000 160.42755
7.4500000 158.13834
7.5000000 156.64226
7.5500000 154.42875
7.6000000 150.75973
7.6500000 146.24775
7.7000000 142.30693
7.7500000 139.90851
7.8000000 138.97510
7.8500000 138.90269
7.9000000 139.19663
7.9500000 139.64256
8.0000000 140.43295
8.0500000 142.04072
8.1000000 144.55948
8.1500000 147.37950
8.2000000 149.69264
8.2500000 151.13782
8.3000000 152.03062
8.3500000 153.02187
8.4000000 154.36128
8.4500000 155.60019
8.5000000 156.00411
8.5500000 154.96212
8.6000000 152.30067
8.6500000 148.68210
8.7000000 145.44266
8.7500000 143.75172
8.8000000 143.92210
8.8500000 145.24549
8.9000000 146.47082
8.9500000 146.84032
9.0000000 146.58940
9.0500000 146.38258
9.1000000 146.82111
9.1500000 148.47546
9.2000000 151.67123
9.2500000 156.12053
9.3000000 161.08879
9.3500000 165.97154
9.4000000 170.77995
9.4500000 176.11360
9.5000000 182.55540
9.5500000 190.11508
9.6000000 198.06188
9.6500000 204.92619
9.7000000 209.11598
9.7500000 210.23858
9.8000000 209.68400
9.8500000 209.67566
9.9000000 211.96611
9.9500000 217.15576
10.000000 224.62404
10.050000 233.08273
10.100000 241.39563
10.150000 249.04578
10.200000 256.11223
10.250000 262.90607
10.300000 269.59198
10.350000 276.26142
10.400000 283.20965
10.450000 290.76450
10.500000 298.95779
10.550000 307.59927
10.600000 316.55101
10.650000 325.78228
10.700000 335.08854
10.750000 343.72710
10.800000 350.64826
10.850000 355.42469
10.900000 358.57337
10.950000 360.57321
11.000000 360.78981
11.050000 357.81272
11.100000 350.93913
11.150000 341.13235
11.200000 330.47127
11.250000 320.98865
11.300000 314.05322
11.350000 310.23537
11.400000 309.44948
11.450000 311.39261
11.500000 315.72857
11.550000 321.90837
11.600000 329.24772
11.650000 337.13577
11.700000 344.86561
11.750000 351.61858
11.800000 356.93456
11.850000 361.02982
11.900000 364.75401
11.950000 369.35299
12.000000 375.97195
12.050000 385.28919
12.100000 397.68486
12.150000 413.38031
12.200000 432.28408
12.250000 453.93553
12.300000 477.39511
12.350000 501.20702
12.400000 524.02669
12.450000 545.09275
12.500000 563.47552
12.550000 577.38699
12.600000 585.17819
12.650000 586.94095
12.700000 584.69780
12.750000 581.15033
12.800000 578.31191
12.850000 576.89563
12.900000 576.46939
12.950000 576.06803
13.000000 574.88444
13.050000 572.64239
13.100000 569.52957
13.150000 566.03149
13.200000 562.83964
13.250000 560.77759
13.300000 560.69162
13.350000 563.16965
13.400000 568.26732
13.450000 575.82180
13.500000 585.90261
13.550000 598.60196
13.600000 613.82580
13.650000 631.71209
13.700000 652.77558
13.750000 677.42900
13.800000 705.44329
13.850000 735.08351
13.900000 762.74291
13.950000 784.89816
14.000000 800.63203
14.050000 811.27994
14.100000 818.22781
14.150000 822.11152
14.200000 823.32010
14.250000 822.38881
14.300000 820.30815
14.350000 818.43270
14.400000 817.76535
14.450000 818.78028
14.500000 822.26080
14.550000 829.87821
14.600000 843.64406
14.650000 864.70719
14.700000 892.34208
14.750000 923.38578
14.800000 952.21815
14.850000 972.32856
14.900000 979.84902
14.950000 976.18666
15.000000 966.64148
15.050000 956.61554
15.100000 949.24985
15.150000 945.47298
15.200000 945.22748
15.250000 948.71422
15.300000 956.78604
15.350000 970.55775
15.400000 991.04939
15.450000 1018.7073
15.500000 1052.3952
15.550000 1088.7575
15.600000 1123.2345
15.650000 1152.2162
15.700000 1174.4249
15.750000 1190.5140
15.800000 1202.0085
15.850000 1211.0945
15.900000 1220.6796
15.950000 1233.4737
16.000000 1250.5869
16.050000 1270.9223
16.100000 1291.8395
16.150000 1310.8047
16.200000 1326.8206
16.250000 1340.2737
16.300000 1351.6980
16.350000 1361.0789
16.400000 1367.9137
16.450000 1371.2146
16.500000 1369.6154
16.550000 1362.2347
16.600000 1349.9026
16.650000 1335.2342
16.700000 1320.9082
16.750000 1307.7537
16.800000 1294.5849
16.850000 1279.6044
16.900000 1261.8597
16.950000 1241.8583
17.000000 1221.2496
17.050000 1202.1216
17.100000 1186.6230
17.150000 1176.7090
17.200000 1173.4736
17.250000 1176.4891
17.300000 1183.7904
17.350000 1192.4626
17.400000 1199.5711
17.450000 1203.1416
17.500000 1202.5950
17.550000 1198.5646
17.600000 1192.4824
17.650000 1186.0529
17.700000 1180.7376
17.750000 1177.5205
17.800000 1176.9095
17.850000 1179.1457
17.900000 1184.5657
17.950000 1193.4069
18.000000 1204.5663
18.050000 1214.5231
18.100000 1218.2963
18.150000 1212.2693
18.200000 1196.2988
18.250000 1173.1527
18.300000 1146.3831
18.350000 1118.9425
18.400000 1092.8871
18.450000 1069.3986
18.500000 1049.0101
18.550000 1031.9284
18.600000 1018.1318
18.650000 1007.4433
18.700000 999.69490
18.750000 994.53467
18.800000 991.12879
18.850000 988.26658
18.900000 984.68326
18.950000 979.36936
19.000000 971.92501
19.050000 962.67325
19.100000 952.41682
19.150000 942.14173
19.200000 932.70375
19.250000 924.50241
19.300000 917.47039
19.350000 911.31280
19.400000 905.74536
19.450000 900.84014
19.500000 897.16315
19.550000 895.39453
19.600000 895.94114
19.650000 898.92298
19.700000 904.22041
19.750000 911.51293
19.800000 920.25210
19.850000 929.24189
19.900000 936.33355
19.950000 939.24368
20.000000 937.04699
20.050000 930.83159
20.100000 922.81392
20.150000 914.79076
20.200000 907.48251
20.250000 901.07466
20.300000 895.68174
20.350000 891.13434
20.400000 886.89867
20.450000 882.39920
20.500000 877.31910
20.550000 871.76226
20.600000 866.20799
20.650000 861.11252
20.700000 856.59622
20.750000 852.51092
20.800000 848.57453
20.850000 844.43178
20.900000 839.66852
20.950000 833.80509
21.000000 826.51111
21.050000 817.96292
21.100000 808.78800
21.150000 799.73455
21.200000 791.54126
21.250000 784.85169
21.300000 780.03429
21.350000 777.18635
21.400000 776.12204
21.450000 776.22448
21.500000 776.52706
21.550000 776.03972
21.600000 774.00402
21.650000 770.16494
21.700000 764.87410
21.750000 758.80651
21.800000 752.62441
21.850000 746.85281
21.900000 741.73868
21.950000 737.23519
22.000000 733.18318
22.050000 729.33020
22.100000 725.27673
22.150000 720.65031
22.200000 715.28556
22.250000 709.29773
22.300000 703.15075
22.350000 697.48964
22.400000 692.77358
22.450000 689.14854
22.500000 686.47879
22.550000 684.36150
22.600000 682.31190
22.650000 679.96557
22.700000 677.08801
22.750000 673.60639
22.800000 669.64694
22.850000 665.37102
22.900000 660.86277
22.950000 656.18513
23.000000 651.36406
23.050000 646.41933
23.100000 641.47716
23.150000 636.65718
23.200000 631.91441
23.250000 627.17310
23.300000 622.45119
23.350000 617.87342
23.400000 613.69812
23.450000 610.19967
23.500000 607.43662
23.550000 605.25859
23.600000 603.40034
23.650000 601.50038
23.700000 599.26784
23.750000 596.65260
23.800000 593.76845
23.850000 590.83527
23.900000 588.17613
23.950000 586.03177
24.000000 584.45267
24.050000 583.35909
24.100000 582.54063
24.150000 581.73645
24.200000 580.83934
24.250000 579.87783
24.300000 578.85120
24.350000 577.72615
24.400000 576.40243
24.450000 574.70882
24.500000 572.59592
24.550000 570.20606
24.600000 567.73864
24.650000 565.39268
24.700000 563.32881
24.750000 561.53421
24.800000 559.89621
24.850000 558.33907
24.900000 556.79437
24.950000 555.20796
25.000000 553.57105
25.050000 551.77463
25.100000 549.57722
25.150000 546.76075
25.200000 543.17486
25.250000 538.72003
25.300000 533.40394
25.350000 527.25001
25.400000 520.21287
25.450000 512.33788
25.500000 503.81933
25.550000 494.92613
25.600000 486.02562
25.650000 477.52719
25.700000 469.72684
25.750000 462.83349
25.800000 456.99457
25.850000 452.20058
25.900000 448.35236
25.950000 445.34893
26.000000 443.03114
26.050000 441.21350
26.100000 439.79612
26.150000 438.70363
26.200000 437.85884
26.250000 437.24052
26.300000 436.78318
26.350000 436.31780
26.400000 435.69509
26.450000 434.80346
26.500000 433.54524
26.550000 431.92041
26.600000 429.97398
26.650000 427.68546
26.700000 425.07169
26.750000 422.22778
26.800000 419.24777
26.850000 416.25642
26.900000 413.40666
26.950000 410.76471
27.000000 408.34887
27.050000 406.20122
27.100000 404.30308
27.150000 402.59301
27.200000 401.04574
27.250000 399.60531
27.300000 398.18610
27.350000 396.79799
27.400000 395.48928
27.450000 394.31081
27.500000 393.38735
27.550000 392.84952
27.600000 392.74013
27.650000 393.09283
27.700000 393.90213
27.750000 395.03889
27.800000 396.32639
27.850000 397.58717
27.900000 398.61563
27.950000 399.30603
28.000000 399.72605
28.050000 399.99167
28.100000 400.24266
28.150000 400.64512
28.200000 401.25941
28.250000 402.03798
28.300000 402.91936
28.350000 403.76489
28.400000 404.38760
28.450000 404.67590
28.500000 404.55626
28.550000 403.95404
28.600000 402.88570
28.650000 401.39295
28.700000 399.48092
28.750000 397.21289
28.800000 394.69644
28.850000 391.99266
28.900000 389.17509
28.950000 386.33521
29.000000 383.48911
29.050000 380.65618
29.100000 377.89752
29.150000 375.22886
29.200000 372.65241
29.250000 370.22230
29.300000 367.93598
29.350000 365.75137
29.400000 363.66555
29.450000 361.64338
29.500000 359.63146
29.550000 357.65540
29.600000 355.74446
29.650000 353.87560
29.700000 352.06088
29.750000 350.30178
29.800000 348.54268
29.850000 346.77040
29.900000 345.00874
29.950000 343.24049
30.000000 341.49383