470
Periodic box: x = (0 A, 18.7494 A), y = (0 A, 18.7494 A), z = ( 0 A, 18.7494 A)
Li 7.87779 16.0514 17.0402
Li 13.1437 2.57517 16.8659
Li 13.9565 11.9975 12.9738
Li 8.67443 14.0202 7.91876
Li 8.74818 13.005 12.7228
F 5.04572 9.98349 14.5711
F 6.90289 14.4288 14.5175
O 3.48039 11.4459 13.6084
O 5.46105 10.6489 12.3585
O 4.74594 14.4939 13.583
O 6.68592 13.6254 12.319
S 4.92356 11.2378 13.5798
S 5.91096 13.6173 13.5546
N 5.82367 12.2671 14.353
F 8.72927 8.0394 11.8062
F 8.70637 9.50088 16.3971
O 6.80713 9.33662 12.1776
O 9.04127 10.3639 11.9059
O 6.78325 10.3277 15.3257
O 9.0091 11.3452 14.9715
S 8.2141 9.35694 12.5609
S 8.19539 10.1356 15.0167
N 8.5724 8.96494 14.0392
F 16.4087 6.60485 14.4608
F 14.4288 10.7018 12.8771
O 18.0687 7.88972 13.4077
O 17.2527 8.42367 15.6814
O 16.7112 10.6909 12.3107
O 15.9443 11.1641 14.6136
S 16.9315 8.11135 14.2934
S 15.8752 10.3008 13.4401
N 15.6435 8.76495 13.676
F 17.0277 13.0765 12.394
F 2.80923 11.8082 11.357
O 18.104 12.4257 14.3773
O 18.5242 14.6259 13.3271
O 2.45467 11.544 13.6667
O 2.80356 13.7712 12.6502
S 18.4265 13.1791 13.171
S 2.09891 12.4946 12.6196
N 0.612297 12.493 12.1116
F 7.95561 15.5304 10.3624
F 12.2123 13.5227 11.393
O 8.12523 15.2695 12.6901
O 9.31547 17.0761 11.4902
O 11.0353 13.8821 13.3969
O 12.1539 15.7315 12.1953
S 8.98944 15.6575 11.5813
S 11.2623 14.5787 12.136
N 10.0752 14.6257 11.1081
H 3.46023 15.9558 7.89593
H 4.75448 15.1201 6.95632
H 6.846 17.1403 12.6378
H 5.10818 17.5475 12.3725
H 6.41018 18.5438 11.5879
C 4.53185 15.9927 7.60415
C 6.11222 17.5192 11.8972
O 4.55867 17.8321 9.649
O 5.32936 15.9375 8.72753
O 6.09447 16.6765 10.8059
C 5.2993 16.8587 9.72249
H 4.73368 16.9244 7.03375
H 14.3594 5.98685 1.27094
H 13.0943 6.85469 0.320794
H 17.6692 4.44773 15.3269
H 17.964 4.09037 17.0709
H 18.3411 5.73647 16.3991
C 14.1862 6.69227 0.429951
C 17.643 4.87355 16.3508
O 16.8169 6.05169 18.695
O 14.6843 6.16211 18.008
O 16.3578 5.28161 16.6387
C 15.9887 5.84439 17.8161
H 14.674 7.66583 0.650222
H 16.9095 17.0413 4.0791
H 15.8229 16.0148 5.09002
H 0.847325 0.984004 8.64901
H 1.13353 1.22185 6.88328
H 1.82965 18.5244 7.735
C 16.8571 16.4025 4.9869
C 0.959262 0.462968 7.6761
O 0.512545 17.6531 5.45464
O 17.1762 17.1437 6.10491
O 18.5567 18.504 7.40684
C 18.3707 17.759 6.28892
H 17.554 15.5437 4.88221
H 11.9938 13.9548 7.81766
H 12.3819 14.3846 6.10858
H 16.8487 16.4537 10.1708
H 15.5132 15.5851 11.0184
H 15.2817 17.3015 10.4672
C 12.3731 14.76 7.15238
C 15.7482 16.3235 10.2219
O 13.1244 15.7964 9.58695
O 13.6555 15.11 7.51835
O 15.2896 15.8669 9.00439
C 13.9862 15.6032 8.73766
H 11.7012 15.6429 7.21099
H 9.01813 10.2034 17.1404
H 8.70033 9.42988 18.7395
H 14.9002 10.6718 17.871
H 13.9031 11.1819 16.4561
H 14.3313 9.43091 16.6884
C 9.37847 9.43863 17.8616
C 14.0632 10.377 17.2054
O 11.599 9.61729 16.2482
O 10.6555 9.74803 18.2793
O 12.9236 10.2023 17.9616
C 11.7218 9.84232 17.4464
H 9.36159 8.43542 17.3846
H 1.71083 17.0592 1.58589
H 2.97907 18.1577 2.25016
H 3.40412 12.2687 4.67399
H 2.04575 12.4192 3.49566
H 1.8618 13.0553 5.18822
C 2.24625 17.3664 2.5099
C 2.56742 12.9167 4.34137
O 1.08737 15.0412 3.41327
O 2.91609 16.2882 3.04824
O 3.07158 14.1339 3.93492
C 2.30656 15.1514 3.4671
H 1.52109 17.7758 3.24534
H 17.0637 7.50832 10.276
H 17.2413 8.93377 9.18377
H 3.86993 7.68727 12.3868
H 2.5517 6.52619 12.7996
H 2.55976 8.19393 13.522
C 17.4737 8.53788 10.1936
C 2.78796 7.596 12.6139
O 0.0439807 7.70773 12.4597
O 0.0918886 8.51695 10.368
O 2.05923 8.06097 11.5397
C 0.703848 8.08329 11.4979
H 16.9983 9.1931 10.9545
H 3.82641 1.0153 16.4802
H 3.83378 0.694737 18.256
H 2.09135 6.68586 16.9122
H 2.45352 5.73579 15.4214
H 3.80916 6.40305 16.4315
C 4.10872 1.42967 17.4719
C 2.79213 5.95662 16.4565
O 4.30703 3.71608 15.9558
O 3.43294 2.60956 17.7005
O 2.79553 4.8012 17.2089
C 3.54702 3.71064 16.9169
H 5.20584 1.60072 17.5086
H 15.9886 12.6196 8.91968
H 15.5538 11.8831 7.33068
H 3.11568 12.5405 8.01788
H 2.21189 13.1375 9.46113
H 2.31317 14.1575 7.96021
C 16.2109 12.6238 7.83092
C 2.23039 13.1205 8.35018
O 18.406 14.0072 8.74388
O 17.5283 12.2777 7.61664
O 1.08766 12.5181 7.86802
C 18.5831 12.98 8.09981
H 16.0036 13.6305 7.40937
H 17.7591 2.63721 11.9885
H 16.4078 3.80833 11.7465
H 2.44289 4.79158 7.63825
H 2.77953 3.41194 8.75159
H 2.98243 5.12304 9.3297
C 17.511 3.70286 11.7944
C 2.37685 4.44582 8.69022
O 1.44255 3.74603 11.1808
O 18.0566 4.10362 10.5933
O 1.05752 4.46332 9.09044
C 0.63679 4.09364 10.3256
H 17.8967 4.33488 12.6227
F 17.9659 12.6438 16.9426
F 17.0698 10.5948 17.2237
F 0.529958 10.8225 16.8546
F 14.9879 13.437 1.39196
F 16.229 15.106 2.25817
F 16.229 13.0786 3.24082
C 18.1773 11.3848 17.4726
C 16.1772 13.7433 2.02861
H 17.2975 13.8926 0.204483
H 18.2869 13.5899 1.7104
H 0.597368 12.0678 0.435829
H 18.6474 10.4482 0.606567
C 18.4286 11.4695 0.228907
C 17.3563 13.3248 1.15813
O 17.2793 11.9352 0.91442
F 9.54515 5.0049 17.7466
F 11.6932 5.01262 17.0636
F 11.1051 6.07407 0.21103
F 9.9729 0.862745 16.2009
F 8.43924 0.0682652 17.6477
F 10.6341 18.5197 18.0602
C 10.8612 4.96752 18.1675
C 9.69356 0.639969 17.5374
H 8.94489 2.62269 17.8737
H 9.49648 1.72827 0.61899
H 10.4981 3.67498 1.13993
H 12.1817 3.73004 0.588715
C 11.1333 3.69679 0.223518
C 9.72552 1.95784 18.3025
O 11.0051 2.54061 18.1639
F 17.8528 5.89046 3.06743
F 18.4119 5.85823 0.884115
F 1.17996 6.46831 2.43185
F 15.7318 2.23952 1.6884
F 15.907 1.26426 3.71193
F 17.3023 0.661333 2.04891
C 0.118384 5.62203 2.16829
C 16.6169 1.72062 2.61641
H 17.0216 3.6212 3.52677
H 18.2903 2.33484 3.79874
H 0.993761 3.98463 3.31706
H 1.43191 4.01055 1.59986
C 0.58251 4.17105 2.29733
C 17.6013 2.7981 3.05585
O 18.3042 3.26967 1.92456
F 4.11038 6.77478 3.52989
F 2.27423 7.82642 2.75326
F 3.40495 8.67108 4.50773
F 4.60257 6.24488 17.8967
F 6.84936 6.21184 18.0621
F 5.80068 8.08122 17.368
C 3.53128 8.00869 3.30031
C 5.71986 6.99398 18.2197
H 5.58556 6.57793 1.5712
H 6.54248 8.06948 1.1263
H 5.39624 9.03133 2.80717
H 3.92644 9.84158 2.23744
C 4.39548 8.84142 2.35315
C 5.62546 7.4734 0.914065
O 4.45701 8.25313 1.06561
F 3.07435 9.88548 7.0792
F 2.78721 9.25843 9.2251
F 2.54831 7.75555 7.56547
F 6.29016 12.1972 9.09025
F 7.59426 12.1534 7.25343
F 8.01316 10.7473 8.96324
C 3.26263 8.86161 7.98851
C 7.01562 11.3793 8.24254
H 5.32369 10.8797 7.02085
H 6.7237 9.70851 6.93914
H 5.12414 8.13469 7.10907
H 4.84774 7.63973 8.78836
C 4.74425 8.49905 8.09225
C 6.09723 10.3407 7.60938
O 5.49725 9.5714 8.63138
F 12.4764 13.1201 16.3119
F 12.496 15.0831 15.2042
F 10.7849 13.6455 14.9289
F 14.1199 15.8431 0.663229
F 13.2479 14.6109 2.33596
F 12.2314 16.517 1.69595
C 11.6914 14.1555 15.8404
C 12.9439 15.4166 1.25391
H 12.7016 13.7442 18.6807
H 11.1787 14.3109 0.76673
H 10.249 14.0928 17.4783
H 10.2761 15.611 16.5642
C 10.9345 14.8235 16.9886
C 12.1111 14.631 0.247652
O 11.8258 15.459 17.8883
F 11.033 0.295557 3.384
F 12.2638 17.1577 3.32014
F 13.1746 0.374431 2.70776
F 9.63786 16.9813 7.0616
F 9.19968 0.183509 8.09883
F 11.081 17.7955 8.59177
C 12.294 18.5151 3.58335
C 10.2015 18.1339 7.5789
H 10.2044 0.415824 5.69708
H 11.377 1.05511 6.94397
H 12.8295 1.10101 5.22568
H 13.7936 18.3666 5.12431
C 12.7589 0.00726315 5.01964
C 10.942 0.139683 6.48134
O 11.9479 18.0543 5.94524
F 12.006 3.83088 6.20796
F 12.8619 3.32088 4.18615
F 12.0543 5.38454 4.58513
F 15.4649 1.29015 7.35247
F 15.7265 2.37191 9.31152
F 17.0878 2.84017 7.57836
C 12.7353 4.31564 5.13855
C 15.7954 2.49999 7.93631
H 13.8055 3.29061 7.79582
H 15.1334 4.53383 7.96677
H 14.0263 5.61157 6.33056
H 14.6518 5.20933 4.72172
C 14.1191 4.77789 5.59565
C 14.828 3.5829 7.47306
O 14.8935 3.68838 6.06564
F 7.11713 14.0588 2.39459
F 5.26981 14.4541 3.62411
F 6.85454 13.0462 4.38342
F 6.53077 18.4059 1.69597
F 8.73969 0.00121134 1.41597
F 7.75756 0.536192 3.3718
C 6.63089 14.2151 3.67901
C 7.76338 18.3826 2.3236
H 8.07388 16.2871 1.98151
H 9.05106 17.0129 3.34409
H 8.42745 15.1686 4.47283
H 6.95741 15.4329 5.42706
C 7.33501 15.3746 4.38412
C 8.05347 16.9816 2.849
O 7.03783 16.6106 3.75844
F 10.5424 9.55019 9.41869
F 10.4313 11.7983 9.53758
F 11.2754 10.6146 11.257
F 11.6223 10.6874 5.26294
F 12.9101 8.85731 5.00087
F 13.8658 10.8528 5.4259
C 11.18 10.6868 9.87924
C 12.7721 10.048 5.69054
H 11.8132 9.10155 7.36075
H 13.6298 9.25477 7.48241
H 13.2063 9.92798 9.5876
H 13.0797 11.6913 9.71381
C 12.5817 10.7988 9.27908
C 12.686 9.76724 7.18616
O 12.5242 10.9895 7.87624
F 4.53986 0.870982 3.01179
F 2.98678 2.28874 2.20035
F 2.57338 1.10877 4.07302
F 7.08303 4.25044 1.65484
F 8.63809 3.83071 3.23031
F 7.16576 5.51069 3.52355
C 3.54987 1.77308 3.35346
C 7.33318 4.23488 3.01535
H 6.55335 2.25544 3.29549
H 6.61565 3.29407 4.79739
H 4.53974 2.50326 5.15736
H 3.29127 3.57778 4.50304
C 4.12399 2.90622 4.20421
C 6.37714 3.2718 3.70932
O 5.04829 3.68439 3.46411
F 15.0945 9.01658 4.17537
F 16.2633 8.50233 2.31796
F 15.6934 10.6393 2.74081
F 17.8498 5.89721 5.72699
F 17.8577 6.80262 7.79016
F 0.846865 7.15527 6.40122
C 16.0881 9.44461 3.31497
C 18.2231 7.0019 6.47141
H 16.4368 8.10347 6.0236
H 17.8651 9.10898 6.55946
H 17.2799 10.4456 4.8462
H 18.1565 10.0487 3.3578
C 17.4009 9.65415 4.06989
C 17.5347 8.25002 5.93155
O 17.9001 8.42954 4.5786
F 2.72101 15.8018 17.6009
F 3.82426 15.9339 15.6398
F 4.3606 17.3153 17.3351
F 3.07054 11.5082 16.5178
F 3.10141 10.8727 18.6792
F 5.0236 10.9671 17.5077
C 3.95035 16.0344 17.0134
C 3.78966 11.563 17.6983
H 2.96964 13.4545 18.2938
H 4.55828 13.0065 0.32787
H 5.12721 15.1347 18.6173
H 5.96934 15.2818 17.0647
C 4.98649 15.0289 17.5161
C 3.97621 13.0137 18.1273
O 4.66163 13.7115 17.1077
F 7.65787 11.6593 2.91884
F 9.03794 11.853 1.14727
F 9.00295 13.45 2.73423
F 8.99352 7.4546 2.40318
F 8.77034 7.01921 4.60252
F 10.8129 7.40928 3.73544
C 8.90377 12.0901 2.50316
C 9.47461 7.75288 3.66547
H 8.2219 9.47833 3.90697
H 9.70707 9.43195 4.97021
H 9.93456 11.5863 4.36077
H 10.9888 11.7747 2.94854
C 10.0086 11.3635 3.27054
C 9.30698 9.24123 3.94804
O 10.0138 9.97846 2.97173
F 17.5141 16.6456 15.1966
F 16.6845 15.346 16.8407
F 0.118395 15.2327 16.3016
F 14.6704 0.691865 17.153
F 15.9081 2.48811 16.589
F 16.0057 1.66923 18.6856
C 17.782 16.0798 16.4289
C 15.8802 1.33342 17.3494
H 16.9095 0.188052 15.8549
H 17.9759 0.976459 17.1117
H 0.263559 17.7291 17.158
H 18.3637 16.6668 18.4195
C 18.1015 17.162 17.4605
C 17.0274 0.419107 16.9356
O 16.9743 17.9848 17.7053
F 5.40476 4.58454 13.109
F 6.63221 5.13461 11.3003
F 6.20662 6.67224 12.8892
F 7.81947 0.898174 12.5526
F 7.78205 0.432853 14.7568
F 9.61755 1.35799 13.8342
C 6.47494 5.33513 12.6596
C 8.23488 1.32426 13.8015
H 6.567 2.64558 14.0791
H 8.03668 3.01175 15.101
H 7.65321 5.14275 14.4877
H 8.57831 5.60154 13.0471
C 7.75584 4.94136 13.3956
C 7.67634 2.71275 14.09
O 8.12957 3.60801 13.0954
F 5.29021 2.76718 7.56788
F 5.60992 2.18072 9.72064
F 5.92209 0.672019 8.07855
F 7.21257 6.43131 9.18295
F 8.13666 6.93353 7.19038
F 9.39037 5.98372 8.80349
C 6.06025 2.00372 8.42507
C 8.13109 6.02399 8.23203
H 6.75362 4.71606 7.2337
H 8.52248 4.35946 6.94681
H 7.91598 2.22053 7.29534
H 8.12341 1.73302 8.9867
C 7.53272 2.40313 8.32659
C 7.7574 4.6434 7.70531
O 7.73509 3.72935 8.78246
F 14.1769 5.37591 13.542
F 12.2762 4.47572 14.3528
F 13.2459 6.21216 15.4085
F 11.9536 4.53325 9.79014
F 12.9375 6.25152 8.71498
F 10.8375 6.47172 9.50078
C 12.9783 5.65342 14.172
C 12.0784 5.91022 9.74345
H 13.6351 5.97668 11.2189
H 12.7126 7.53573 10.9809
H 12.6881 7.60168 13.2302
H 11.2207 6.87208 13.9053
C 12.1477 6.63261 13.3422
C 12.6309 6.42788 11.0663
O 11.7548 6.0543 12.1098
F 11.0449 0.833168 12.3532
F 12.0781 0.367425 10.4049
F 11.635 2.50188 10.9687
F 13.736 16.2669 13.5758
F 13.9065 17.0602 15.6777
F 15.576 17.4093 14.2055
C 12.0057 1.26219 11.4569
C 14.2035 17.313 14.351
H 12.448 18.5143 14.0683
H 13.9509 0.676745 14.5667
H 13.3305 2.12698 12.9616
H 14.0993 1.77156 11.4047
C 13.3687 1.37334 12.1405
C 13.5444 18.6171 13.9174
O 13.8385 0.102657 12.5556
F 18.2177 18.2443 11.7433
F 18.5918 16.618 13.2585
F 18.6593 16.1505 11.0568
F 1.83895 1.68745 14.7933
F 2.70041 3.08476 13.25
F 3.93602 1.36838 14.0268
C 0.201711 17.1045 12.0147
C 2.65838 1.77174 13.6819
H 1.10274 1.24711 12.3001
H 2.8079 0.982961 11.6992
H 2.0061 17.7586 10.9739
H 2.25381 16.4607 12.1551
C 1.69976 17.4086 11.9875
C 2.11789 0.882594 12.5682
O 2.0607 18.2979 13.0299
