output.xyz

125
Energy =     1 kcal/mol
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Ar -1.14102 -0.87848 -0.61961
Ar -0.75978 -0.87717 -0.62105
Ar -0.38104 -0.87581 -0.62102
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Ar -1.33068 -0.54935 -0.61988
Ar -0.95059 -0.54762 -0.62082
Ar -0.56961 -0.54854 -0.61959
Ar -0.19153 -0.54711 -0.61986
Ar 0.19093 -0.54789 -0.61970
Ar -1.13907 -0.22020 -0.62114
Ar -0.75955 -0.21801 -0.61965
Ar -0.37938 -0.21885 -0.62173
Ar -0.00102 -0.22029 -0.62116
Ar 0.37867 -0.21886 -0.62118
Ar -0.94911 0.11029 -0.62043
Ar -0.56897 0.11012 -0.62108
Ar -0.19120 0.10847 -0.62120
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Ar -0.38016 0.43814 -0.62156
Ar -0.00041 0.43843 -0.62126
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Ar -0.95119 -0.76802 -0.31090
Ar -0.56891 -0.76878 -0.31202
Ar -0.18960 -0.76736 -0.31133
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Ar -0.76083 -0.43940 -0.31140
Ar -0.37904 -0.43845 -0.30914
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Ar 0.37888 -0.43817 -0.30918
Ar -0.94945 -0.10857 -0.31084
Ar -0.56891 -0.10782 -0.30965
Ar -0.19111 -0.11039 -0.30962
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Ar -0.75824 0.22044 -0.30960
Ar -0.38054 0.21875 -0.30946
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Ar -0.19022 -0.54950 0.30985
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Ar -0.75977 -0.22129 0.31087
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Ar -0.57088 0.11084 0.30886
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Ar -0.37936 -0.43969 0.62122
Ar -0.00028 -0.43956 0.62148
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Ar 0.76051 -0.43769 0.62007
Ar -0.56992 -0.10940 0.62130
Ar -0.19081 -0.10871 0.62125
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Ar 0.95159 -0.10891 0.61872
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Ar 0.57083 0.54753 0.62202
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Ar 1.33109 0.54880 0.61960
Ar 0.00088 0.87749 0.61980
Ar 0.37890 0.87839 0.61928
Ar 0.76058 0.87774 0.62008
Ar 1.13915 0.87792 0.62090
Ar 1.52081 0.87676 0.62112
125
Energy =     1 kcal/mol
Ar -1.46872 -0.89765 -0.74642
Ar -1.15102 -1.00529 -0.53152
Ar -0.76218 -0.83580 -0.67242
Ar -0.39837 -0.75952 -0.77410
Ar 0.07714 -0.95991 -0.68092
Ar -1.37590 -0.59104 -0.53962
Ar -0.97833 -0.56819 -0.66609
Ar -0.60505 -0.49632 -0.54687
Ar -0.27893 -0.46404 -0.54975
Ar 0.26564 -0.51010 -0.55254
Ar -1.09010 -0.20221 -0.67940
Ar -0.68955 -0.12787 -0.55789
Ar -0.42233 -0.22345 -0.75905
Ar -0.04510 -0.27749 -0.67961
Ar 0.24000 -0.16747 -0.67418
Ar -0.90013 0.13249 -0.62004
Ar -0.55657 0.13179 -0.66440
Ar -0.19689 0.07520 -0.67422
Ar 0.08498 0.12768 -0.60202
Ar 0.50827 0.01533 -0.76879
Ar -0.75030 0.43398 -0.68274
Ar -0.37770 0.41487 -0.71807
Ar -0.05145 0.42824 -0.69637
Ar 0.34491 0.52386 -0.54482
Ar 0.73217 0.31954 -0.51983
Ar -1.41050 -0.85990 -0.21308
Ar -1.04398 -0.75126 -0.33830
Ar -0.50328 -0.85962 -0.37253
Ar -0.19057 -0.72213 -0.41826
Ar 0.11964 -0.84680 -0.30843
Ar -1.24839 -0.36849 -0.24957
Ar -0.85704 -0.47895 -0.35810
Ar -0.31405 -0.44485 -0.24821
Ar 0.02356 -0.48507 -0.21713
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Ar -0.92258 -0.00389 -0.33191
Ar -0.56171 -0.05682 -0.28911
Ar -0.21513 -0.11944 -0.25487
Ar 0.23599 -0.09087 -0.27602
Ar 0.64137 -0.18957 -0.45690
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Ar -0.36951 0.26756 -0.19018
Ar -0.09095 0.20138 -0.36878
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Ar -0.25961 0.51379 -0.38690
Ar 0.04262 0.49840 -0.31439
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Ar -0.02553 -0.80967 -0.02221
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Ar -0.53635 -0.31847 -0.07316
Ar -0.22254 -0.26512 0.07820
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Ar 0.52219 0.34486 0.05095
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Ar -0.35748 0.64866 -0.10296
Ar -0.04860 0.61668 0.05291
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Ar 0.74752 0.66446 0.00966
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Ar -1.05840 -0.52029 0.43764
Ar -0.59696 -0.63826 0.35038
Ar -0.20046 -0.63386 0.33126
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Ar -0.76997 -0.31756 0.38905
Ar -0.49554 -0.20015 0.26603
Ar -0.08435 -0.19485 0.41471
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Ar -0.72795 0.24922 0.24753
Ar -0.16694 0.10222 0.37752
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Ar 0.53317 0.17963 0.30439
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Ar -0.00967 0.39519 0.29363
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Ar 0.78302 0.40909 0.29707
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Ar 0.19143 0.89423 0.22709
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Ar -0.33940 -0.52281 0.67853
Ar -0.00484 -0.50854 0.70576
Ar 0.48692 -0.40552 0.53923
Ar 0.81692 -0.33992 0.59103
Ar -0.60210 -0.16612 0.71037
Ar -0.22858 -0.05273 0.69879
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Ar 0.56118 -0.07045 0.52783
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Ar -0.49799 0.16735 0.52031
Ar -0.00028 0.21517 0.61778
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Ar 0.28244 0.60186 0.65137
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Ar 1.42512 0.53589 0.55354
Ar 0.03815 0.86864 0.59589
Ar 0.37562 0.98336 0.52991
Ar 0.77285 0.88765 0.56374
Ar 1.10533 0.92366 0.65985
Ar 1.61488 0.81066 0.69602
125
Energy =     1 kcal/mol
Ar -1.50874 -0.94244 -0.90343
Ar -1.12446 -1.19843 -0.48830
Ar -0.72655 -0.84386 -0.71156
Ar -0.35562 -0.67801 -0.98937
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Ar -1.39356 -0.59659 -0.44167
Ar -1.04845 -0.63899 -0.74922
Ar -0.68047 -0.51196 -0.54342
Ar -0.37334 -0.41336 -0.63935
Ar 0.27229 -0.52546 -0.57942
Ar -1.08536 -0.11699 -0.73014
Ar -0.70113 -0.15531 -0.60163
Ar -0.54492 -0.25593 -0.94797
Ar -0.06853 -0.27952 -0.80842
Ar 0.27787 -0.21642 -0.71303
Ar -0.92726 0.16648 -0.69686
Ar -0.58238 0.17511 -0.71662
Ar -0.26155 0.07235 -0.76321
Ar 0.18314 0.21060 -0.70700
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Ar -0.70818 0.53722 -0.74248
Ar -0.40847 0.44462 -0.87558
Ar -0.03675 0.46890 -0.76472
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Ar -1.14478 -0.75073 -0.28775
Ar -0.49352 -0.95302 -0.35586
Ar -0.17356 -0.79548 -0.48507
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Ar -0.55592 -0.01685 -0.23232
Ar -0.18229 -0.13771 -0.21907
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Ar -0.41768 0.39300 -0.09130
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Ar -0.04304 0.27236 0.73209
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Ar 0.74290 0.89028 0.50971
Ar 1.15004 0.99125 0.69867
Ar 1.72601 0.76219 0.79340
125
Energy =     1 kcal/mol
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Ar -0.65105 -0.88514 -0.74673
Ar -0.31665 -0.58643 -1.19011
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Ar -0.74816 -0.09455 -0.64885
Ar -0.65464 -0.28920 -1.13353
Ar -0.06344 -0.25071 -0.97558
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Ar -0.95158 0.28370 -0.76464
Ar -0.60002 0.22821 -0.75616
Ar -0.28648 0.05483 -0.85175
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Ar -0.42166 0.44853 -1.11055
Ar -0.03857 0.54355 -0.82258
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Ar -1.21540 -0.81976 -0.20137
Ar -0.49205 -1.03778 -0.34191
Ar -0.14463 -0.86627 -0.54961
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Ar -1.43149 -0.25075 -0.14262
Ar -1.07691 -0.25244 -0.15913
Ar -0.27549 -0.55659 -0.24996
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Ar -0.59800 -0.38895 -0.12968
Ar -0.32495 -0.28150 0.19605
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Ar -0.17518 -0.82252 0.51405
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Ar -0.22038 -0.46377 0.60576
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Ar -0.12639 0.40047 0.49337
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Ar 0.79525 0.63192 0.41080
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Ar 0.46074 0.81069 0.25535
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Ar -0.43513 -0.65511 0.80970
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Ar 0.65642 -0.55199 0.45761
Ar 1.00341 -0.20086 0.65767
Ar -0.53325 -0.22566 0.86544
Ar -0.23411 -0.02133 0.88225
Ar 0.11686 -0.16439 0.92578
Ar 0.42904 -0.19729 0.58122
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Ar -0.74845 0.28095 0.32602
Ar -0.06080 0.27060 0.84945
Ar 0.43083 0.35212 0.77047
Ar 1.02662 0.08214 0.80701
Ar 1.30828 0.09940 1.04876
Ar 0.02287 0.64423 0.99899
Ar 0.48079 0.80941 0.71513
Ar 0.73056 0.42454 1.00989
Ar 1.13778 0.56460 0.76792
Ar 1.59054 0.43369 0.58163
Ar 0.07643 0.85042 0.68178
Ar 0.55656 1.23969 0.41975
Ar 0.83883 0.93967 0.56799
Ar 1.19388 1.05032 0.72945
Ar 1.83007 0.71124 0.88332
125
Energy =     1 kcal/mol
Ar -1.58042 -1.02691 -1.20874
Ar -1.07209 -1.56491 -0.39826
Ar -0.57160 -0.93029 -0.78103
Ar -0.28035 -0.48647 -1.38322
Ar 0.28132 -1.15350 -0.85088
Ar -1.52382 -0.52919 -0.31395
Ar -1.24594 -0.71005 -0.88544
Ar -0.90475 -0.74651 -0.46644
Ar -0.61718 -0.35109 -0.82606
Ar 0.26419 -0.68348 -0.55368
Ar -1.13547 -0.11082 -0.82650
Ar -0.79622 -0.03657 -0.69091
Ar -0.75761 -0.32456 -1.30768
Ar -0.06235 -0.22144 -1.13714
Ar 0.41646 -0.37812 -0.84054
Ar -1.00100 0.39639 -0.82354
Ar -0.59363 0.29521 -0.79372
Ar -0.30134 0.03144 -0.93950
Ar 0.35397 0.39048 -0.91208
Ar 0.51409 -0.10532 -1.21632
Ar -0.90682 0.70737 -0.96180
Ar -0.43451 0.44848 -1.33231
Ar -0.06853 0.63479 -0.87583
Ar 0.22085 0.64618 -0.60394
Ar 1.02909 0.17807 -0.44437
Ar -1.57873 -1.08698 0.03840
Ar -1.27315 -0.90038 -0.09967
Ar -0.48688 -1.11231 -0.33406
Ar -0.11865 -0.93145 -0.60841
Ar 0.14701 -1.16516 -0.48041
Ar -1.54353 -0.19571 -0.09123
Ar -1.14370 -0.11740 -0.07805
Ar -0.31008 -0.66839 -0.27173
Ar 0.01146 -0.66000 -0.10791
Ar 0.94358 -0.35077 -0.24682
Ar -1.10795 0.15484 -0.31694
Ar -0.54724 0.06815 -0.34227
Ar -0.17202 -0.26789 -0.13327
Ar 0.15171 -0.04931 -0.44535
Ar 0.77282 -0.33004 -0.89540
Ar -0.94818 0.48386 -0.19907
Ar -0.49950 0.43740 -0.25601
Ar -0.06447 0.28002 -0.46223
Ar 0.54000 -0.02721 -0.69787
Ar 0.58682 -0.05435 -0.29443
Ar -0.83504 1.00338 -0.47958
Ar -0.50761 0.79970 -0.59642
Ar -0.17168 0.63267 -0.30387
Ar 0.74380 1.10964 -0.40312
Ar 1.17715 0.64619 -0.63326
Ar -1.29962 -1.13632 0.28255
Ar -0.87838 -0.98326 0.26600
Ar -0.58486 -0.66803 0.27348
Ar -0.06415 -1.27395 0.04869
Ar 0.55227 -0.96048 -0.56413
Ar -0.90140 -0.35205 0.22952
Ar -0.60470 -0.41083 -0.16029
Ar -0.37530 -0.33330 0.21695
Ar 0.52446 -0.83808 -0.17897
Ar 0.82129 -0.42783 0.15919
Ar -1.07968 0.05425 0.24277
Ar -0.62378 0.08995 0.13176
Ar 0.47998 -0.45740 -0.10443
Ar 0.42284 -0.07016 0.20279
Ar 0.91721 0.45377 0.18213
Ar -0.87602 1.00219 0.21935
Ar -0.08721 -0.01629 0.12601
Ar 0.31284 0.25926 -0.31938
Ar 0.77430 0.53166 -0.32653
Ar 1.15599 0.46209 -0.24761
Ar -0.36048 0.99443 -0.19998
Ar 0.06766 0.60432 0.10716
Ar 0.21912 0.81245 -0.32209
Ar 0.84846 0.92165 -0.07031
Ar 1.59205 0.33640 -0.33439
Ar -1.41508 -0.50342 0.76127
Ar -0.52745 -1.08394 0.62542
Ar -0.13537 -0.96495 0.57030
Ar 0.11448 -0.89678 0.33375
Ar 0.64745 -0.98211 0.24236
Ar -1.01465 -0.36165 0.81504
Ar -0.76475 -0.18265 0.54922
Ar -0.25164 -0.50329 0.67445
Ar 0.06291 -0.34800 0.35852
Ar 1.06789 -0.11717 0.29007
Ar -1.32690 0.66626 0.21727
Ar -0.38284 0.00386 0.41758
Ar 0.15782 0.18623 0.35666
Ar 0.61796 0.36862 0.51913
Ar 1.36086 0.22570 0.49915
Ar -0.54278 0.66516 0.39455
Ar -0.18867 0.40192 0.56294
Ar 0.13605 0.60583 0.49371
Ar 0.78372 0.72048 0.46131
Ar 1.88652 0.45441 0.03441
Ar -0.58489 1.09070 0.50077
Ar 0.13232 1.13817 -0.17352
Ar 0.36250 0.86055 0.20064
Ar 1.54327 1.26093 -0.04507
Ar 1.66724 1.19577 0.49085
Ar -1.33399 -0.59027 1.16126
Ar -0.52937 -0.73574 0.91620
Ar 0.13538 -0.64058 0.87122
Ar 0.72417 -0.62257 0.49391
Ar 1.08917 -0.21620 0.66422
Ar -0.52247 -0.28117 0.91879
Ar -0.23548 -0.03651 0.96395
Ar 0.06607 -0.18630 1.08517
Ar 0.35574 -0.26217 0.61984
Ar 1.66995 -0.25051 0.34969
Ar -0.83698 0.43141 0.33999
Ar -0.04993 0.30054 0.96122
Ar 0.45564 0.38611 0.86376
Ar 1.14291 0.12377 0.88269
Ar 1.36678 0.07185 1.18522
Ar 0.09911 0.70758 1.12565
Ar 0.59057 0.91982 0.73298
Ar 0.77392 0.41213 1.12046
Ar 1.18861 0.54860 0.80001
Ar 1.66549 0.38845 0.60249
Ar 0.09528 0.83816 0.71415
Ar 0.63343 1.35740 0.36222
Ar 0.93582 1.01171 0.64147
Ar 1.23883 1.10386 0.75630
Ar 1.93019 0.65792 0.96892
125
Energy =     1 kcal/mol
Ar -1.59699 -1.05610 -1.34540
Ar -1.04570 -1.74593 -0.35254
Ar -0.48946 -0.97278 -0.80653
Ar -0.24419 -0.38075 -1.57066
Ar 0.34861 -1.20757 -0.90645
Ar -1.58944 -0.48663 -0.24769
Ar -1.34098 -0.74463 -0.94854
Ar -1.01434 -0.85738 -0.42527
Ar -0.74096 -0.31312 -0.92168
Ar 0.26069 -0.78077 -0.52881
Ar -1.15651 -0.10657 -0.87155
Ar -0.83466 0.02974 -0.72790
Ar -0.85623 -0.36053 -1.47667
Ar -0.06634 -0.19222 -1.29721
Ar 0.44861 -0.48876 -0.92195
Ar -1.04836 0.48390 -0.87011
Ar -0.58976 0.35822 -0.82763
Ar -0.31985 0.00734 -1.02500
Ar 0.44487 0.46011 -1.00469
Ar 0.51940 -0.14740 -1.34079
Ar -1.02279 0.79950 -1.09363
Ar -0.44746 0.44705 -1.54932
Ar -0.09548 0.72142 -0.92160
Ar 0.16982 0.63920 -0.67284
Ar 1.14955 0.15508 -0.42127
Ar -1.62635 -1.15535 0.11726
Ar -1.32981 -0.98038 0.00559
Ar -0.47751 -1.17773 -0.33062
Ar -0.09534 -0.99111 -0.66228
Ar 0.14182 -1.26401 -0.52578
Ar -1.64894 -0.14396 -0.04276
Ar -1.21261 -0.00203 -0.02108
Ar -0.36499 -0.77784 -0.30240
Ar 0.00719 -0.71921 -0.12042
Ar 1.12684 -0.37626 -0.22321
Ar -1.16201 0.19251 -0.32667
Ar -0.54685 0.09996 -0.44364
Ar -0.16867 -0.32838 -0.08542
Ar 0.12253 -0.05295 -0.50716
Ar 0.81634 -0.35638 -1.04060
Ar -1.01775 0.54429 -0.17422
Ar -0.54213 0.45740 -0.34412
Ar -0.04366 0.32560 -0.50345
Ar 0.59602 -0.04761 -0.74997
Ar 0.53712 -0.06996 -0.34035
Ar -0.89891 1.10615 -0.53660
Ar -0.52407 0.90215 -0.58565
Ar -0.20574 0.66168 -0.30809
Ar 0.78704 1.24383 -0.40656
Ar 1.24925 0.67879 -0.75408
Ar -1.34012 -1.24491 0.33769
Ar -0.88989 -1.06290 0.32298
Ar -0.66161 -0.67079 0.33989
Ar -0.07724 -1.41375 0.06787
Ar 0.58714 -1.02500 -0.70053
Ar -0.91450 -0.33496 0.30771
Ar -0.60186 -0.43123 -0.18264
Ar -0.42327 -0.38488 0.23029
Ar 0.60006 -0.97317 -0.27928
Ar 0.88438 -0.43702 0.14246
Ar -1.20408 0.02470 0.32892
Ar -0.68429 0.09454 0.16203
Ar 0.64301 -0.57883 -0.16642
Ar 0.41953 -0.09164 0.29139
Ar 0.95208 0.57667 0.19440
Ar -0.94500 1.14514 0.27774
Ar -0.14904 -0.10189 0.18569
Ar 0.37427 0.26863 -0.41881
Ar 0.86923 0.56515 -0.45257
Ar 1.20640 0.50023 -0.29188
Ar -0.37385 1.13477 -0.22884
Ar 0.10234 0.59630 0.10261
Ar 0.15737 0.85546 -0.33987
Ar 0.89870 1.02948 -0.09613
Ar 1.70947 0.26861 -0.42978
Ar -1.52210 -0.49671 0.86906
Ar -0.51267 -1.21896 0.72510
Ar -0.12170 -1.10658 0.64662
Ar 0.13506 -1.00311 0.40379
Ar 0.68256 -1.12705 0.24268
Ar -1.09915 -0.38302 0.95640
Ar -0.84639 -0.19020 0.64551
Ar -0.28313 -0.54208 0.74251
Ar -0.01157 -0.37701 0.37505
Ar 1.14765 -0.11734 0.28102
Ar -1.50857 0.79812 0.20181
Ar -0.42354 -0.00437 0.46815
Ar 0.13862 0.18050 0.41560
Ar 0.66171 0.46410 0.57305
Ar 1.45052 0.20925 0.56350
Ar -0.60024 0.77724 0.48885
Ar -0.24809 0.39824 0.63079
Ar 0.08966 0.62485 0.51348
Ar 0.76817 0.79326 0.50014
Ar 2.07666 0.46622 -0.03855
Ar -0.70131 1.14874 0.52206
Ar 0.10131 1.23151 -0.28306
Ar 0.26336 0.90652 0.14856
Ar 1.68782 1.37579 -0.12542
Ar 1.73726 1.30537 0.52587
Ar -1.49860 -0.65637 1.29954
Ar -0.61916 -0.81140 1.01311
Ar 0.16763 -0.66951 0.90749
Ar 0.78831 -0.69291 0.52785
Ar 1.17368 -0.23807 0.66149
Ar -0.51285 -0.34463 0.96068
Ar -0.25156 -0.05082 1.03574
Ar 0.02737 -0.21529 1.24341
Ar 0.27681 -0.32802 0.65053
Ar 1.83961 -0.29255 0.30228
Ar -0.91995 0.58210 0.35132
Ar -0.03242 0.33939 1.06545
Ar 0.47841 0.42515 0.96011
Ar 1.26097 0.18260 0.95651
Ar 1.42447 0.04555 1.31923
Ar 0.17570 0.76635 1.24123
Ar 0.67762 1.02324 0.75260
Ar 0.81550 0.39885 1.22201
Ar 1.23763 0.52568 0.82799
Ar 1.76050 0.35579 0.63152
Ar 0.10866 0.89193 0.82098
Ar 0.71134 1.46898 0.30598
Ar 1.00064 1.08020 0.69599
Ar 1.33674 1.17039 0.79951
Ar 2.00130 0.59477 1.03833
125
Energy =     1 kcal/mol
Ar -1.47039 -0.98988 -1.36057
Ar -1.01921 -1.92648 -0.30667
Ar -0.40263 -1.01507 -0.82489
Ar -0.21058 -0.27568 -1.76007
Ar 0.39455 -1.27299 -0.96632
Ar -1.65418 -0.43945 -0.17760
Ar -1.43584 -0.77979 -1.01230
Ar -1.12327 -0.96801 -0.38270
Ar -0.86824 -0.26646 -1.01494
Ar 0.25839 -0.88794 -0.50320
Ar -1.17332 -0.10331 -0.91644
Ar -0.86353 0.10136 -0.76348
Ar -0.95330 -0.39618 -1.64326
Ar -0.07165 -0.15835 -1.44914
Ar 0.48512 -0.59506 -1.00165
Ar -1.09000 0.56499 -0.91347
Ar -0.58999 0.41318 -0.85285
Ar -0.33947 -0.01755 -1.11074
Ar 0.53186 0.53005 -1.09099
Ar 0.52608 -0.19270 -1.45838
Ar -1.13684 0.89235 -1.22410
Ar -0.46032 0.44502 -1.76497
Ar -0.12528 0.80674 -0.96515
Ar 0.12081 0.61906 -0.74426
Ar 1.26667 0.13065 -0.39976
Ar -1.68699 -1.22857 0.19738
Ar -1.37334 -1.05709 0.11156
Ar -0.46436 -1.23590 -0.33020
Ar -0.07081 -1.04829 -0.71035
Ar 0.14096 -1.35388 -0.57673
Ar -1.74627 -0.09521 0.00325
Ar -1.28821 0.09504 -0.00201
Ar -0.41726 -0.88537 -0.33207
Ar -0.00223 -0.77354 -0.13719
Ar 1.30311 -0.40067 -0.19321
Ar -1.20928 0.23989 -0.34439
Ar -0.54986 0.12882 -0.55369
Ar -0.17330 -0.41196 -0.04794
Ar 0.10109 -0.04690 -0.56568
Ar 0.84958 -0.37914 -1.18393
Ar -1.08539 0.59752 -0.15031
Ar -0.58236 0.48558 -0.43543
Ar -0.01826 0.37418 -0.54145
Ar 0.64781 -0.07161 -0.79701
Ar 0.48243 -0.08526 -0.39413
Ar -0.95585 1.20406 -0.59403
Ar -0.54042 1.00320 -0.56651
Ar -0.23519 0.69025 -0.31861
Ar 0.83089 1.37439 -0.40590
Ar 1.31783 0.70800 -0.86786
Ar -1.37308 -1.34815 0.38961
Ar -0.90273 -1.13841 0.37992
Ar -0.74091 -0.66792 0.40535
Ar -0.09018 -1.55043 0.08708
Ar 0.63103 -1.07135 -0.81459
Ar -0.92131 -0.31631 0.38101
Ar -0.58819 -0.45349 -0.19765
Ar -0.46673 -0.42943 0.24119
Ar 0.67075 -1.10108 -0.38581
Ar 0.94845 -0.44448 0.12220
Ar -1.31702 0.00133 0.46178
Ar -0.74356 0.09275 0.19773
Ar 0.80900 -0.70152 -0.22683
Ar 0.40723 -0.11383 0.38540
Ar 0.98200 0.70360 0.21201
Ar -1.03943 1.28573 0.30957
Ar -0.22396 -0.14996 0.25522
Ar 0.42703 0.27531 -0.52453
Ar 0.96712 0.59671 -0.57922
Ar 1.25798 0.54342 -0.33595
Ar -0.38397 1.26776 -0.26393
Ar 0.12714 0.57117 0.09888
Ar 0.08896 0.89807 -0.34516
Ar 0.94698 1.13589 -0.12388
Ar 1.82416 0.20203 -0.52349
Ar -1.62224 -0.49015 0.98286
Ar -0.49289 -1.34779 0.82355
Ar -0.12330 -1.24983 0.73252
Ar 0.16432 -1.10495 0.46407
Ar 0.71612 -1.26768 0.24228
Ar -1.18437 -0.40414 1.09191
Ar -0.92436 -0.19906 0.74559
Ar -0.30497 -0.58609 0.80028
Ar -0.07955 -0.42595 0.40629
Ar 1.22475 -0.12260 0.27519
Ar -1.68817 0.92947 0.18615
Ar -0.46362 -0.01766 0.51093
Ar 0.11620 0.17433 0.47252
Ar 0.69681 0.53896 0.63536
Ar 1.50118 0.17731 0.62792
Ar -0.65983 0.88476 0.58092
Ar -0.29994 0.39226 0.69590
Ar 0.04384 0.61806 0.50843
Ar 0.77040 0.87556 0.51685
Ar 2.26498 0.47728 -0.11236
Ar -0.79193 1.20509 0.56939
Ar 0.06694 1.31941 -0.39080
Ar 0.17111 0.96624 0.09772
Ar 1.82046 1.48080 -0.20377
Ar 1.78797 1.40131 0.55726
Ar -1.66248 -0.71993 1.43160
Ar -0.70514 -0.88264 1.10430
Ar 0.19600 -0.69221 0.93681
Ar 0.85210 -0.76094 0.55587
Ar 1.25858 -0.25390 0.65371
Ar -0.51021 -0.40074 1.00553
Ar -0.26892 -0.06479 1.10309
Ar -0.01136 -0.24462 1.39798
Ar 0.19203 -0.39530 0.67544
Ar 2.00811 -0.33361 0.25519
Ar -0.99887 0.73436 0.36083
Ar -0.01486 0.37649 1.16447
Ar 0.50445 0.46707 1.05419
Ar 1.38485 0.22653 1.03347
Ar 1.47932 0.02186 1.44684
Ar 0.25172 0.82205 1.34726
Ar 0.69884 1.12617 0.79618
Ar 0.85382 0.38577 1.31644
Ar 1.28512 0.51176 0.84602
Ar 1.88504 0.33946 0.67158
Ar 0.12309 0.95845 0.95006
Ar 0.78981 1.57757 0.25013
Ar 1.09576 1.14719 0.72780
Ar 1.46129 1.24359 0.84854
Ar 1.92451 0.48609 1.02928
125
Energy =     1 kcal/mol
Ar -1.32761 -0.91364 -1.36377
Ar -0.98998 -2.10121 -0.26001
Ar -0.34523 -1.05374 -0.84758
Ar -0.18230 -0.17466 -1.95969
Ar 0.40852 -1.36036 -1.03930
Ar -1.71926 -0.38730 -0.10466
Ar -1.53189 -0.81484 -1.07528
Ar -1.23221 -1.07860 -0.33836
Ar -0.95966 -0.23323 -1.12126
Ar 0.25317 -1.00331 -0.47890
Ar -1.21992 -0.07711 -0.94247
Ar -0.89368 0.17397 -0.80472
Ar -1.04999 -0.43162 -1.80873
Ar -0.07427 -0.11809 -1.58557
Ar 0.52650 -0.69999 -1.08133
Ar -1.12777 0.64650 -0.95824
Ar -0.59434 0.46047 -0.86873
Ar -0.35828 -0.04280 -1.19805
Ar 0.61691 0.59949 -1.17390
Ar 0.53515 -0.24065 -1.57112
Ar -1.24998 0.98097 -1.35018
Ar -0.47302 0.44249 -1.98012
Ar -0.15646 0.89041 -1.00587
Ar 0.08650 0.62250 -0.83173
Ar 1.38373 0.11202 -0.37734
Ar -1.75252 -1.30642 0.28071
Ar -1.40678 -1.13336 0.21875
Ar -0.45122 -1.31918 -0.33134
Ar -0.00942 -1.10948 -0.74078
Ar 0.14207 -1.43369 -0.63214
Ar -1.83760 -0.04953 0.04712
Ar -1.36509 0.19018 0.02190
Ar -0.46207 -0.96125 -0.36297
Ar -0.01676 -0.82453 -0.15867
Ar 1.47402 -0.42353 -0.15879
Ar -1.25211 0.29302 -0.36153
Ar -0.55068 0.15984 -0.66821
Ar -0.18605 -0.50065 -0.00228
Ar 0.08776 -0.03088 -0.62104
Ar 0.87334 -0.40071 -1.32619
Ar -1.15351 0.64337 -0.12765
Ar -0.61787 0.51902 -0.52977
Ar -0.00413 0.39748 -0.55435
Ar 0.69456 -0.09520 -0.83786
Ar 0.42391 -0.09713 -0.45752
Ar -1.00729 1.29865 -0.65103
Ar -0.55565 1.10472 -0.54114
Ar -0.26576 0.71427 -0.33657
Ar 0.87528 1.50285 -0.40257
Ar 1.38206 0.73496 -0.97609
Ar -1.40496 -1.44502 0.43630
Ar -0.91822 -1.21105 0.43644
Ar -0.81821 -0.65919 0.46921
Ar -0.10316 -1.68537 0.10624
Ar 0.69912 -1.09145 -0.90071
Ar -0.92083 -0.29545 0.45330
Ar -0.56490 -0.47818 -0.20457
Ar -0.51080 -0.47562 0.25105
Ar 0.73721 -1.22154 -0.49839
Ar 1.01707 -0.45092 0.09895
Ar -1.42457 -0.02456 0.59072
Ar -0.80013 0.08345 0.24003
Ar 0.97511 -0.82559 -0.28541
Ar 0.38561 -0.13555 0.48402
Ar 1.00738 0.83414 0.23501
Ar -1.14609 1.42541 0.32851
Ar -0.30800 -0.16359 0.30043
Ar 0.47084 0.27693 -0.63389
Ar 1.06937 0.62775 -0.70733
Ar 1.30851 0.58171 -0.38303
Ar -0.39090 1.39446 -0.30553
Ar 0.14836 0.54699 0.09971
Ar 0.01863 0.94220 -0.34845
Ar 0.99410 1.24221 -0.15158
Ar 1.93708 0.13586 -0.61621
Ar -1.71673 -0.48419 1.10125
Ar -0.47033 -1.47360 0.92100
Ar -0.12451 -1.39067 0.81518
Ar 0.18963 -1.20790 0.52765
Ar 0.74874 -1.40643 0.24178
Ar -1.27178 -0.42492 1.22233
Ar -1.00134 -0.21031 0.84519
Ar -0.30104 -0.64648 0.83158
Ar -0.14073 -0.50831 0.45265
Ar 1.29991 -0.13361 0.27250
Ar -1.86688 1.06061 0.17045
Ar -0.51114 -0.03038 0.55450
Ar 0.09231 0.16834 0.52775
Ar 0.72742 0.60125 0.70506
Ar 1.54836 0.14788 0.70123
Ar -0.71171 0.95974 0.67040
Ar -0.34567 0.38347 0.75708
Ar -0.00272 0.60370 0.49934
Ar 0.78277 0.97009 0.52586
Ar 2.23136 0.44224 -0.17350
Ar -0.88278 1.28717 0.62769
Ar 0.02800 1.39872 -0.49580
Ar 0.07786 1.02293 0.04199
Ar 1.71890 1.39535 -0.25484
Ar 1.68073 1.37457 0.54359
Ar -1.65516 -0.70781 1.41332
Ar -0.78883 -0.95115 1.19260
Ar 0.22094 -0.71089 0.96106
Ar 0.91574 -0.82758 0.58123
Ar 1.34432 -0.26393 0.63997
Ar -0.52750 -0.43316 1.07049
Ar -0.28488 -0.08456 1.17045
Ar -0.05438 -0.27130 1.54641
Ar 0.10711 -0.46187 0.70033
Ar 2.17604 -0.37425 0.20821
Ar -1.07232 0.89106 0.37159
Ar 0.00363 0.41298 1.26034
Ar 0.53351 0.51109 1.14804
Ar 1.51755 0.25017 1.11731
Ar 1.53286 0.00077 1.56931
Ar 0.32648 0.87596 1.44451
Ar 0.71752 1.22768 0.84059
Ar 0.88824 0.37388 1.40551
Ar 1.32995 0.51174 0.85067
Ar 2.00634 0.32010 0.70617
Ar 0.14058 1.01977 1.08291
Ar 0.86872 1.68409 0.19370
Ar 1.19270 1.21197 0.75772
Ar 1.58484 1.31678 0.89292
Ar 1.83341 0.37493 1.02077
125
Energy =     1 kcal/mol
Ar -1.18253 -0.83978 -1.37316
Ar -0.86787 -2.07517 -0.18951
Ar -0.31414 -1.08879 -0.87379
Ar -0.15377 -0.07312 -2.15647
Ar 0.42206 -1.44386 -1.10573
Ar -1.78463 -0.33210 -0.03026
Ar -1.62970 -0.84679 -1.13200
Ar -1.34122 -1.18919 -0.29249
Ar -1.01075 -0.21954 -1.24675
Ar 0.24607 -1.12239 -0.45232
Ar -1.30014 -0.02418 -0.94489
Ar -0.92847 0.24922 -0.85108
Ar -1.14608 -0.46689 -1.97250
Ar -0.07905 -0.07718 -1.72090
Ar 0.57165 -0.80753 -1.15974
Ar -1.16299 0.72695 -1.00312
Ar -0.60065 0.50595 -0.93463
Ar -0.37608 -0.06770 -1.28666
Ar 0.70146 0.66835 -1.25486
Ar 0.54792 -0.29093 -1.67967
Ar -1.36237 1.06773 -1.47393
Ar -0.48541 0.43931 -2.19500
Ar -0.18513 0.96927 -1.04175
Ar 0.05512 0.64047 -0.93058
Ar 1.50086 0.09719 -0.35462
Ar -1.80946 -1.38478 0.36587
Ar -1.44042 -1.21018 0.32584
Ar -0.43683 -1.42341 -0.33252
Ar 0.07713 -1.16925 -0.76406
Ar 0.14809 -1.51218 -0.68754
Ar -1.92504 -0.00525 0.08995
Ar -1.44040 0.28725 0.04078
Ar -0.50166 -1.01156 -0.39616
Ar -0.03439 -0.87411 -0.18362
Ar 1.64113 -0.44440 -0.12169
Ar -1.29336 0.34975 -0.37080
Ar -0.54451 0.18455 -0.77409
Ar -0.20886 -0.58984 0.05141
Ar 0.07263 -0.00436 -0.67764
Ar 0.88971 -0.42120 -1.46930
Ar -1.22333 0.68160 -0.10672
Ar -0.65302 0.55891 -0.57891
Ar 0.00430 0.40669 -0.55413
Ar 0.73563 -0.11600 -0.87347
Ar 0.37192 -0.10383 -0.52626
Ar -1.05511 1.39120 -0.70722
Ar -0.56833 1.20786 -0.51195
Ar -0.30558 0.72810 -0.36094
Ar 0.91978 1.63100 -0.39785
Ar 1.44137 0.75992 -1.07918
Ar -1.43989 -1.53940 0.48075
Ar -0.93715 -1.28227 0.49233
Ar -0.88942 -0.64777 0.53053
Ar -0.11625 -1.81926 0.12530
Ar 0.76165 -1.11154 -0.98224
Ar -0.91336 -0.26673 0.52798
Ar -0.53349 -0.50576 -0.20232
Ar -0.55375 -0.52418 0.26148
Ar 0.80081 -1.33622 -0.61679
Ar 1.09125 -0.45521 0.07579
Ar -1.52842 -0.05206 0.71904
Ar -0.85291 0.06567 0.29004
Ar 1.13993 -0.95032 -0.34364
Ar 0.35535 -0.15578 0.58534
Ar 1.03017 0.96715 0.26114
Ar -1.24835 1.56024 0.35209
Ar -0.37452 -0.19034 0.32798
Ar 0.50809 0.26944 -0.74301
Ar 1.17889 0.65902 -0.83457
Ar 1.35623 0.61633 -0.43558
Ar -0.39453 1.51489 -0.35322
Ar 0.16566 0.52758 0.10581
Ar -0.04532 0.99493 -0.35250
Ar 1.04108 1.34832 -0.17732
Ar 2.04903 0.07027 -0.70755
Ar -1.82125 -0.46087 1.20479
Ar -0.45312 -1.59961 1.01985
Ar -0.11709 -1.52760 0.89251
Ar 0.21125 -1.31227 0.59444
Ar 0.78077 -1.54429 0.24138
Ar -1.34081 -0.42045 1.34956
Ar -1.07764 -0.22433 0.93893
Ar -0.28922 -0.70231 0.85477
Ar -0.22782 -0.59029 0.47969
Ar 1.37338 -0.14992 0.27069
Ar -2.03449 1.18547 0.15392
Ar -0.57784 -0.03518 0.61164
Ar 0.06798 0.16322 0.58150
Ar 0.75815 0.66878 0.77542
Ar 1.59495 0.12275 0.78375
Ar -0.76259 1.02377 0.75728
Ar -0.38721 0.37143 0.81394
Ar -0.04839 0.58076 0.48645
Ar 0.79760 1.06354 0.54050
Ar 2.04635 0.37578 -0.22571
Ar -0.98319 1.37828 0.67897
Ar -0.01669 1.47216 -0.59676
Ar -0.01652 1.07390 -0.01676
Ar 1.56800 1.27011 -0.29964
Ar 1.55347 1.33309 0.52310
Ar -1.51172 -0.67594 1.28830
Ar -0.87150 -1.01817 1.27953
Ar 0.24309 -0.72933 0.98376
Ar 0.97927 -0.89348 0.60545
Ar 1.43156 -0.26777 0.62287
Ar -0.54294 -0.45995 1.13526
Ar -0.30165 -0.11046 1.23772
Ar -0.10000 -0.29613 1.69022
Ar 0.03363 -0.52336 0.73858
Ar 2.31182 -0.40908 0.15881
Ar -1.14131 1.05246 0.38517
Ar 0.02372 0.44982 1.35438
Ar 0.56483 0.55676 1.24304
Ar 1.53820 0.23591 1.24959
Ar 1.58574 -0.01840 1.68803
Ar 0.39913 0.92867 1.53338
Ar 0.74129 1.32370 0.87913
Ar 0.91879 0.36383 1.49056
Ar 1.38072 0.50376 0.85666
Ar 2.12678 0.29569 0.72779
Ar 0.16196 1.07724 1.22096
Ar 0.94806 1.78850 0.13571
Ar 1.29111 1.27703 0.78760
Ar 1.66836 1.36052 0.91873
Ar 1.84429 0.30333 0.96653
125
Energy =     1 kcal/mol
Ar -1.04011 -0.76479 -1.38085
Ar -0.71888 -1.98976 -0.11238
Ar -0.27812 -1.12515 -0.89455
Ar -0.12444 0.02931 -2.34109
Ar 0.43596 -1.52303 -1.16598
Ar -1.84863 -0.27861 0.04360
Ar -1.72447 -0.87874 -1.19051
Ar -1.45021 -1.29979 -0.24547
Ar -1.06393 -0.20353 -1.36874
Ar 0.24175 -1.24127 -0.41422
Ar -1.37313 0.03028 -0.94876
Ar -0.95703 0.32845 -0.89750
Ar -1.11792 -0.45178 -1.92193
Ar -0.08601 -0.03624 -1.85998
Ar 0.61781 -0.91639 -1.23775
Ar -1.19611 0.80560 -1.04733
Ar -0.61030 0.55462 -1.03268
Ar -0.39337 -0.09178 -1.37585
Ar 0.78627 0.73675 -1.33452
Ar 0.56550 -0.34326 -1.78449
Ar -1.39272 1.08991 -1.50836
Ar -0.45785 0.40005 -2.22666
Ar -0.21067 1.04213 -1.07390
Ar 0.01893 0.65982 -1.02507
Ar 1.61912 0.08411 -0.33142
Ar -1.76802 -1.39508 0.43300
Ar -1.47398 -1.27895 0.42902
Ar -0.42200 -1.52171 -0.33510
Ar 0.14965 -1.21611 -0.80412
Ar 0.16018 -1.59918 -0.73968
Ar -2.01160 0.04204 0.13351
Ar -1.51222 0.38793 0.05259
Ar -0.53631 -1.06457 -0.42910
Ar -0.05490 -0.92271 -0.20952
Ar 1.80613 -0.46323 -0.08283
Ar -1.33440 0.41060 -0.37119
Ar -0.54029 0.20415 -0.87254
Ar -0.24150 -0.67872 0.10928
Ar 0.03595 0.03832 -0.74439
Ar 0.89960 -0.44034 -1.61445
Ar -1.29604 0.71074 -0.08796
Ar -0.68679 0.59899 -0.60176
Ar 0.01240 0.41513 -0.55927
Ar 0.77112 -0.13256 -0.90549
Ar 0.34600 -0.11249 -0.58910
Ar -1.10089 1.48259 -0.76271
Ar -0.57833 1.31095 -0.48177
Ar -0.35092 0.73543 -0.39073
Ar 0.96439 1.75984 -0.39138
Ar 1.50787 0.78782 -1.18913
Ar -1.47911 -1.63972 0.52755
Ar -0.95966 -1.35293 0.54757
Ar -0.95455 -0.63270 0.58909
Ar -0.12955 -1.95246 0.14417
Ar 0.82060 -1.13620 -1.05914
Ar -0.90331 -0.23506 0.60327
Ar -0.49570 -0.53713 -0.19012
Ar -0.59331 -0.57164 0.27207
Ar 0.86230 -1.44595 -0.74085
Ar 1.17055 -0.45620 0.05474
Ar -1.62945 -0.08102 0.84816
Ar -0.90048 0.03972 0.34876
Ar 1.30373 -1.07534 -0.40213
Ar 0.31760 -0.17357 0.68766
Ar 1.05463 1.10122 0.28622
Ar -1.34659 1.68967 0.37993
Ar -0.43999 -0.22665 0.35498
Ar 0.54130 0.25262 -0.85042
Ar 1.28281 0.68627 -0.94865
Ar 1.40216 0.64997 -0.49394
Ar -0.39366 1.63113 -0.40533
Ar 0.17860 0.50991 0.11717
Ar -0.10985 1.04409 -0.39483
Ar 1.09005 1.45389 -0.20078
Ar 2.16026 0.00550 -0.79718
Ar -1.91760 -0.41644 1.27979
Ar -0.44368 -1.72682 1.12130
Ar -0.09940 -1.66078 0.96435
Ar 0.23012 -1.41791 0.66358
Ar 0.81243 -1.68169 0.24108
Ar -1.30714 -0.28432 1.48671
Ar -1.15334 -0.24019 1.02730
Ar -0.28612 -0.75765 0.87910
Ar -0.32588 -0.66811 0.49690
Ar 1.44425 -0.16964 0.26329
Ar -1.90946 1.13939 0.11585
Ar -0.64838 -0.03691 0.66736
Ar 0.04367 0.15910 0.63389
Ar 0.78902 0.74116 0.84553
Ar 1.61529 0.08485 0.85864
Ar -0.81847 1.09278 0.84098
Ar -0.42636 0.35573 0.86671
Ar -0.09126 0.54973 0.47098
Ar 0.81126 1.15728 0.56516
Ar 1.85973 0.30784 -0.27938
Ar -1.08546 1.46271 0.72385
Ar -0.06758 1.54260 -0.69309
Ar -0.10936 1.13109 -0.04086
Ar 1.41438 1.14493 -0.34381
Ar 1.43842 1.29154 0.48501
Ar -1.45608 -0.79087 1.16477
Ar -0.95401 -1.08424 1.36573
Ar 0.26169 -0.74675 1.00422
Ar 1.04272 -0.95898 0.62916
Ar 1.52117 -0.26704 0.60974
Ar -0.55212 -0.48434 1.19618
Ar -0.32086 -0.14221 1.30397
Ar -0.14686 -0.31998 1.83114
Ar -0.02648 -0.57640 0.77763
Ar 2.17601 -0.39589 0.09047
Ar -1.20735 1.21967 0.40292
Ar 0.04563 0.48743 1.44734
Ar 0.59768 0.60406 1.34009
Ar 1.49847 0.20132 1.40995
Ar 1.53287 -0.03390 1.69001
Ar 0.46882 0.98027 1.61437
Ar 0.76789 1.41434 0.91177
Ar 0.94616 0.35586 1.57243
Ar 1.43783 0.48733 0.86487
Ar 2.20014 0.26384 0.72623
Ar 0.18793 1.13101 1.36395
Ar 1.02774 1.89012 0.07473
Ar 1.31203 1.34218 0.82278
Ar 1.65496 1.27395 0.86857
Ar 1.92495 0.26662 0.89477
125
Energy =     1 kcal/mol
Ar -0.89841 -0.68744 -1.38922
Ar -0.56828 -1.90302 -0.03557
Ar -0.23649 -1.16310 -0.91086
Ar -0.08290 0.13107 -2.25105
Ar 0.44941 -1.59910 -1.22095
Ar -1.91013 -0.22920 0.11634
Ar -1.77124 -0.88664 -1.21656
Ar -1.55917 -1.41040 -0.19753
Ar -1.11733 -0.18884 -1.49060
Ar 0.23336 -1.35979 -0.38030
Ar -1.44217 0.08627 -0.95324
Ar -0.97505 0.41161 -0.94338
Ar -1.02346 -0.40953 -1.75507
Ar -0.09470 0.00248 -1.99442
Ar 0.64655 -1.00812 -1.33063
Ar -1.22776 0.88283 -1.09157
Ar -0.62484 0.59848 -1.12140
Ar -0.41064 -0.11490 -1.46504
Ar 0.87175 0.80479 -1.41321
Ar 0.58318 -0.39586 -1.88864
Ar -1.28039 1.00007 -1.38763
Ar -0.38150 0.31705 -2.04161
Ar -0.23367 1.10940 -1.10361
Ar -0.02137 0.68204 -1.11671
Ar 1.62520 -0.06834 -0.33005
Ar -1.78157 -1.40255 0.48430
Ar -1.37673 -1.29797 0.53263
Ar -0.40782 -1.61616 -0.33811
Ar 0.21752 -1.26436 -0.84339
Ar 0.17464 -1.68052 -0.79180
Ar -2.09928 0.09432 0.17829
Ar -1.58082 0.49110 0.05828
Ar -0.56623 -1.12025 -0.46151
Ar -0.07854 -0.97083 -0.23416
Ar 1.83655 -0.53118 -0.11754
Ar -1.37616 0.47580 -0.36289
Ar -0.54218 0.23116 -0.97095
Ar -0.28293 -0.76536 0.16643
Ar -0.00459 0.09028 -0.81106
Ar 0.90866 -0.45953 -1.75944
Ar -1.37112 0.73245 -0.07235
Ar -0.71541 0.63563 -0.63161
Ar 0.01896 0.42042 -0.56935
Ar 0.80118 -0.14392 -0.93537
Ar 0.32732 -0.11874 -0.65363
Ar -1.14560 1.57326 -0.81780
Ar -0.58572 1.41166 -0.45200
Ar -0.39683 0.74304 -0.42528
Ar 1.01004 1.88883 -0.38025
Ar 1.59726 0.82592 -1.32314
Ar -1.48504 -1.69812 0.56095
Ar -0.98620 -1.42316 0.60215
Ar -1.01447 -0.61131 0.64572
Ar -0.14379 -2.08511 0.16252
Ar 0.89546 -1.18424 -1.11647
Ar -0.94627 -0.25406 0.66836
Ar -0.45354 -0.57310 -0.16753
Ar -0.63867 -0.61318 0.27255
Ar 0.92181 -1.55075 -0.86994
Ar 1.25481 -0.45316 0.03678
Ar -1.72845 -0.11197 0.97917
Ar -0.94148 0.01224 0.41131
Ar 1.46698 -1.20043 -0.46085
Ar 0.27331 -0.18863 0.78979
Ar 1.07092 1.23484 0.30476
Ar -1.43565 1.80580 0.40934
Ar -0.51188 -0.26766 0.38839
Ar 0.57312 0.22754 -0.95585
Ar 1.36412 0.70285 -1.03351
Ar 1.44753 0.68573 -0.55584
Ar -0.38747 1.74526 -0.46135
Ar 0.18704 0.49278 0.13344
Ar -0.17953 1.08741 -0.45833
Ar 1.14137 1.55908 -0.22315
Ar 2.13853 -0.05775 -0.83599
Ar -1.82950 -0.33261 1.23266
Ar -0.43338 -1.85363 1.22207
Ar -0.08044 -1.79232 1.03451
Ar 0.24669 -1.52485 0.73465
Ar 0.84386 -1.81884 0.24086
Ar -1.27280 -0.14848 1.61890
Ar -1.22939 -0.25691 1.11401
Ar -0.33069 -0.84069 0.91867
Ar -0.41133 -0.74452 0.52500
Ar 1.51138 -0.19180 0.24561
Ar -1.71028 1.04987 0.07261
Ar -0.66342 0.00432 0.72858
Ar 0.01939 0.15567 0.68494
Ar 0.81986 0.81672 0.91550
Ar 1.60922 0.03398 0.92405
Ar -0.87797 1.16590 0.92241
Ar -0.46461 0.33579 0.91561
Ar -0.12975 0.51166 0.45418
Ar 0.82459 1.25309 0.59977
Ar 1.78457 0.37899 -0.31133
Ar -1.18898 1.54140 0.76212
Ar -0.12451 1.61170 -0.78430
Ar -0.20254 1.19190 -0.04721
Ar 1.25770 1.01938 -0.38753
Ar 1.34803 1.25033 0.42992
Ar -1.40058 -0.90395 1.04159
Ar -1.03701 -1.14948 1.45115
Ar 0.27409 -0.76122 1.02033
Ar 1.10610 -1.02424 0.65263
Ar 1.61357 -0.26270 0.60622
Ar -0.55587 -0.50507 1.25483
Ar -0.34336 -0.17972 1.36839
Ar -0.19430 -0.34337 1.97037
Ar -0.04022 -0.59880 0.79721
Ar 2.14410 -0.32646 0.09483
Ar -1.27218 1.39387 0.42569
Ar 0.06934 0.52595 1.53963
Ar 0.63132 0.65338 1.43992
Ar 1.45736 0.23026 1.51545
Ar 1.42124 -0.11096 1.67894
Ar 0.53517 1.03011 1.68850
Ar 0.79773 1.49965 0.93829
Ar 0.97186 0.34973 1.65168
Ar 1.49985 0.46340 0.87404
Ar 2.18458 0.20511 0.59051
Ar 0.21871 1.18134 1.51067
Ar 1.10721 1.98764 0.00816
Ar 1.20004 1.41227 0.85631
Ar 1.74701 1.17599 0.83643
Ar 1.92196 0.24813 0.90146
125
Energy =     1 kcal/mol
Ar -0.75775 -0.60664 -1.39990
Ar -0.41321 -1.81428 0.03878
Ar -0.19035 -1.20256 -0.92404
Ar -0.03022 0.34458 -2.28170
Ar 0.46233 -1.67277 -1.27101
Ar -1.97133 -0.17984 0.18905
Ar -1.69273 -0.83158 -1.15658
Ar -1.66807 -1.52099 -0.14881
Ar -1.19978 -0.13139 -1.57698
Ar 0.22189 -1.47700 -0.35279
Ar -1.50924 0.14342 -0.95779
Ar -0.98229 0.49942 -0.98896
Ar -0.89810 -0.41252 -1.62047
Ar -0.11751 -0.06878 -1.91320
Ar 0.66840 -1.09473 -1.42870
Ar -1.24243 0.90589 -0.97320
Ar -0.64319 0.63494 -1.20083
Ar -0.42817 -0.13704 -1.55477
Ar 0.95808 0.87252 -1.49114
Ar 0.58310 -0.44518 -1.99936
Ar -1.18232 0.96153 -1.42766
Ar -0.29859 0.22883 -1.85876
Ar -0.25500 1.17251 -1.13159
Ar -0.06519 0.70695 -1.20640
Ar 1.59639 -0.27051 -0.33304
Ar -1.74210 -1.36550 0.51566
Ar -1.26240 -1.30480 0.63726
Ar -0.39512 -1.71091 -0.33810
Ar 0.28133 -1.32008 -0.87912
Ar 0.19145 -1.75226 -0.84505
Ar -2.18639 0.14726 0.22312
Ar -1.67374 0.56799 0.07553
Ar -0.59217 -1.17717 -0.49339
Ar -0.10535 -1.01883 -0.25741
Ar 1.74207 -0.64515 -0.22150
Ar -1.41958 0.54224 -0.34964
Ar -0.54860 0.26695 -1.07031
Ar -0.33181 -0.84702 0.21862
Ar -0.04030 0.14577 -0.87242
Ar 0.93509 -0.48213 -1.89740
Ar -1.39724 0.74680 -0.09157
Ar -0.74223 0.66949 -0.66805
Ar 0.02349 0.42169 -0.58412
Ar 0.82586 -0.14947 -0.96458
Ar 0.30617 -0.11909 -0.72321
Ar -1.18978 1.66339 -0.87272
Ar -0.58785 1.51241 -0.42274
Ar -0.44087 0.75451 -0.46335
Ar 1.05628 2.01551 -0.36797
Ar 1.65640 0.84845 -1.43122
Ar -1.39107 -1.63069 0.55484
Ar -1.00624 -1.50000 0.65735
Ar -1.07522 -0.60706 0.69991
Ar -0.16079 -2.21593 0.17945
Ar 0.97611 -1.24425 -1.16454
Ar -0.99546 -0.27062 0.73675
Ar -0.40908 -0.61460 -0.13465
Ar -0.68591 -0.64960 0.26333
Ar 0.97941 -1.64989 -1.00331
Ar 1.34516 -0.44563 0.02148
Ar -1.80056 -0.02967 0.98971
Ar -0.97491 -0.01332 0.47476
Ar 1.62999 -1.32544 -0.51965
Ar 0.22293 -0.20187 0.89072
Ar 0.95505 1.35952 0.26464
Ar -1.40058 1.81059 0.38793
Ar -0.59034 -0.31101 0.42760
Ar 0.60560 0.19493 -1.05890
Ar 1.44496 0.71935 -1.11399
Ar 1.49118 0.72469 -0.61789
Ar -0.37869 1.85382 -0.52192
Ar 0.19078 0.47570 0.15409
Ar -0.25552 1.12896 -0.51707
Ar 1.19186 1.66846 -0.24418
Ar 1.99512 -0.11916 -0.82800
Ar -1.74413 -0.35875 1.29320
Ar -0.40297 -1.91171 1.27501
Ar -0.06478 -1.92307 1.10556
Ar 0.26125 -1.63317 0.80740
Ar 0.87513 -1.95584 0.24069
Ar -1.23840 -0.01340 1.74763
Ar -1.30689 -0.27360 1.19987
Ar -0.37986 -0.92145 0.95408
Ar -0.48576 -0.82110 0.56793
Ar 1.57624 -0.21827 0.22323
Ar -1.53329 0.99236 0.04732
Ar -0.66647 0.05492 0.78584
Ar -0.00528 0.15219 0.73473
Ar 0.85070 0.89469 0.98534
Ar 1.60158 -0.01524 0.98418
Ar -0.93977 1.24153 1.00233
Ar -0.50291 0.31116 0.96082
Ar -0.16286 0.46788 0.43711
Ar 0.84321 1.35233 0.64232
Ar 1.74269 0.49875 -0.33799
Ar -1.29201 1.62021 0.80124
Ar -0.18668 1.68048 -0.86990
Ar -0.29655 1.25102 -0.06106
Ar 1.10346 0.89030 -0.43325
Ar 1.38746 1.22022 0.44062
Ar -1.34356 -1.01703 0.91745
Ar -1.12056 -1.21407 1.53554
Ar 0.27995 -0.77220 1.03200
Ar 1.16945 -1.08937 0.67597
Ar 1.70624 -0.25322 0.60693
Ar -0.55566 -0.52270 1.31207
Ar -0.36871 -0.22182 1.43082
Ar -0.24199 -0.36654 2.10863
Ar -0.04885 -0.62061 0.81646
Ar 2.23303 -0.20700 0.16928
Ar -1.31082 1.48880 0.45681
Ar 0.09475 0.56540 1.63151
Ar 0.66511 0.70564 1.54311
Ar 1.41385 0.31617 1.57741
Ar 1.30883 -0.24374 1.71052
Ar 0.59883 1.07672 1.75718
Ar 0.81640 1.58448 0.96230
Ar 0.99848 0.34479 1.72837
Ar 1.56767 0.43113 0.88450
Ar 2.18474 0.14312 0.43161
Ar 0.25356 1.22888 1.65938
Ar 1.15148 2.01666 -0.05918
Ar 1.09925 1.47372 0.87910
Ar 1.83561 1.07861 0.80267
Ar 1.88808 0.23280 0.92752
125
Energy =     1 kcal/mol
Ar -0.56284 -0.59070 -1.33580
Ar -0.25583 -1.72655 0.10903
Ar -0.14047 -1.24347 -0.93504
Ar 0.02171 0.54801 -2.22908
Ar 0.47473 -1.74449 -1.31629
Ar -2.03469 -0.12675 0.26223
Ar -1.61228 -0.77552 -1.09537
Ar -1.71732 -1.57695 -0.09522
Ar -1.29923 -0.04956 -1.64490
Ar 0.20857 -1.59332 -0.32873
Ar -1.57524 0.20132 -0.96230
Ar -0.98002 0.59371 -1.03353
Ar -0.80676 -0.37220 -1.57894
Ar -0.13292 -0.16831 -1.82219
Ar 0.69419 -1.18432 -1.52247
Ar -1.25061 0.91139 -0.80959
Ar -0.66504 0.66498 -1.27239
Ar -0.44483 -0.15730 -1.64840
Ar 1.04553 0.93990 -1.56839
Ar 0.57387 -0.49319 -2.11293
Ar -1.08643 0.93557 -1.51168
Ar -0.22586 0.15860 -1.67084
Ar -0.27546 1.23311 -1.15800
Ar -0.11227 0.73347 -1.29445
Ar 1.56276 -0.46207 -0.33235
Ar -1.68028 -1.32178 0.54514
Ar -1.17593 -1.33286 0.67355
Ar -0.38208 -1.80528 -0.33342
Ar 0.34059 -1.38280 -0.91422
Ar 0.21112 -1.81564 -0.89994
Ar -2.27062 0.19700 0.26757
Ar -1.77792 0.63466 0.09821
Ar -0.61485 -1.23452 -0.52466
Ar -0.13547 -1.06616 -0.27966
Ar 1.64858 -0.76821 -0.32239
Ar -1.48938 0.53144 -0.44436
Ar -0.55763 0.31026 -1.17011
Ar -0.38768 -0.92157 0.26621
Ar -0.07226 0.20360 -0.92873
Ar 0.97039 -0.50608 -2.03216
Ar -1.28239 0.69415 -0.09417
Ar -0.77458 0.69995 -0.71438
Ar 0.02595 0.41913 -0.60381
Ar 0.84538 -0.14922 -0.99468
Ar 0.28291 -0.11427 -0.79642
Ar -1.23059 1.74881 -0.92524
Ar -0.58288 1.61485 -0.39476
Ar -0.47833 0.77250 -0.50129
Ar 1.01767 2.01794 -0.40493
Ar 1.56602 0.80382 -1.45964
Ar -1.30425 -1.57532 0.54055
Ar -0.96489 -1.62520 0.71750
Ar -1.14202 -0.63628 0.75071
Ar -0.17843 -2.32558 0.19370
Ar 1.05179 -1.30870 -1.21379
Ar -1.03180 -0.25855 0.81565
Ar -0.36439 -0.66262 -0.09267
Ar -0.72318 -0.68745 0.25676
Ar 1.03480 -1.74178 -1.13927
Ar 1.43877 -0.43934 0.00042
Ar -1.86185 0.10580 0.94415
Ar -0.99966 -0.03470 0.53569
Ar 1.78087 -1.44048 -0.57457
Ar 0.16721 -0.21436 0.98934
Ar 0.83439 1.48428 0.22680
Ar -1.29516 1.84922 0.29760
Ar -0.67527 -0.35591 0.47069
Ar 0.63981 0.15552 -1.15886
Ar 1.49606 0.71182 -1.11669
Ar 1.53368 0.76276 -0.67804
Ar -0.37017 1.95364 -0.58627
Ar 0.18954 0.45831 0.17860
Ar -0.33725 1.16797 -0.57121
Ar 1.25250 1.74873 -0.29481
Ar 1.85117 -0.18066 -0.81927
Ar -1.66463 -0.43829 1.40949
Ar -0.33783 -1.78710 1.20903
Ar -0.04289 -2.03685 1.16367
Ar 0.27399 -1.74290 0.88163
Ar 0.90629 -2.09275 0.24054
Ar -1.20416 0.12105 1.87496
Ar -1.38693 -0.29025 1.28442
Ar -0.42752 -0.99545 0.98217
Ar -0.55956 -0.89367 0.61312
Ar 1.64576 -0.24420 0.20608
Ar -1.45898 1.08941 0.10764
Ar -0.69367 0.07236 0.81690
Ar -0.03083 0.14785 0.78351
Ar 0.88164 0.97483 1.05495
Ar 1.59569 -0.06079 1.03844
Ar -1.00309 1.31867 1.08107
Ar -0.52256 0.31114 1.02356
Ar -0.19008 0.41992 0.42054
Ar 0.84815 1.44841 0.67267
Ar 1.69715 0.62105 -0.36854
Ar -1.38534 1.69001 0.83678
Ar -0.25277 1.74967 -0.94966
Ar -0.39172 1.30972 -0.08217
Ar 0.95357 0.75912 -0.48104
Ar 1.43012 1.19132 0.45591
Ar -1.31894 -1.04035 0.86158
Ar -1.17784 -1.25017 1.58350
Ar 0.27943 -0.77947 1.03959
Ar 1.23277 -1.15439 0.69924
Ar 1.79668 -0.23884 0.60622
Ar -0.55767 -0.54590 1.36526
Ar -0.39131 -0.25930 1.49462
Ar -0.28981 -0.38963 2.24634
Ar -0.05671 -0.64589 0.83995
Ar 2.33257 -0.14504 0.21393
Ar -1.27640 1.35858 0.51697
Ar 0.12174 0.60573 1.72312
Ar 0.69853 0.76210 1.64988
Ar 1.36467 0.40038 1.64110
Ar 1.19652 -0.37398 1.74134
Ar 0.65986 1.11881 1.82132
Ar 0.73585 1.70279 1.00984
Ar 1.02896 0.34110 1.80190
Ar 1.61737 0.40702 0.89249
Ar 2.15694 0.13882 0.30310
Ar 0.29225 1.27391 1.80884
Ar 1.12268 1.92716 -0.02021
Ar 1.11403 1.50101 0.88474
Ar 1.92281 0.98109 0.76818
Ar 1.87235 0.20184 0.95539
125
Energy =     1 kcal/mol
Ar -0.35014 -0.59305 -1.25012
Ar -0.09885 -1.64016 0.17430
Ar -0.08731 -1.28583 -0.94459
Ar 0.07346 0.73797 -2.11088
Ar 0.48617 -1.81341 -1.35584
Ar -2.10072 -0.06945 0.33579
Ar -1.53174 -0.71936 -1.03417
Ar -1.60420 -1.48406 -0.03075
Ar -1.39711 0.03136 -1.71238
Ar 0.19342 -1.70932 -0.30601
Ar -1.64046 0.26022 -0.96592
Ar -0.97279 0.69212 -1.07944
Ar -0.73191 -0.30936 -1.55960
Ar -0.12297 -0.28088 -1.74146
Ar 0.72280 -1.27594 -1.61287
Ar -1.25408 0.91146 -0.64721
Ar -0.69083 0.69444 -1.33923
Ar -0.48198 -0.17312 -1.73392
Ar 1.13563 1.00628 -1.64477
Ar 0.56398 -0.53593 -2.20315
Ar -0.98861 0.90767 -1.59282
Ar -0.16106 0.09581 -1.47825
Ar -0.29577 1.29264 -1.18276
Ar -0.16280 0.76013 -1.38107
Ar 1.50820 -0.56282 -0.35928
Ar -1.60968 -1.28056 0.57590
Ar -0.99260 -1.34601 0.68625
Ar -0.36706 -1.89798 -0.32425
Ar 0.39525 -1.45181 -0.95014
Ar 0.23429 -1.87165 -0.95719
Ar -2.27234 0.23563 0.30206
Ar -1.87804 0.70316 0.11886
Ar -0.63481 -1.29183 -0.55518
Ar -0.16883 -1.11205 -0.30088
Ar 1.58088 -0.98375 -0.41660
Ar -1.56900 0.49678 -0.57671
Ar -0.56621 0.35619 -1.26943
Ar -0.44991 -0.98816 0.31121
Ar -0.10179 0.26328 -0.98085
Ar 0.93585 -0.49616 -2.03114
Ar -1.16084 0.66817 -0.05805
Ar -0.81267 0.72965 -0.76679
Ar 0.02631 0.41325 -0.62883
Ar 0.86068 -0.14429 -1.02672
Ar 0.25843 -0.10539 -0.87190
Ar -1.18010 1.70430 -0.90895
Ar -0.57175 1.71702 -0.36780
Ar -0.50966 0.79763 -0.53863
Ar 0.92112 1.91296 -0.42995
Ar 1.49086 0.78450 -1.58381
Ar -1.28146 -1.63519 0.46369
Ar -0.91951 -1.75723 0.77677
Ar -1.20689 -0.66486 0.80168
Ar -0.18029 -2.22450 0.19013
Ar 1.12385 -1.37739 -1.26468
Ar -1.06461 -0.25541 0.90422
Ar -0.32121 -0.71760 -0.04388
Ar -0.74999 -0.72718 0.25684
Ar 0.99632 -1.67325 -1.17344
Ar 1.51337 -0.44483 -0.01396
Ar -1.92269 0.24048 0.89868
Ar -1.01448 -0.04992 0.58914
Ar 1.67704 -1.34908 -0.54708
Ar 0.10739 -0.22675 1.08477
Ar 0.71565 1.60978 0.19471
Ar -1.13737 1.81382 0.19661
Ar -0.76690 -0.40191 0.51617
Ar 0.67574 0.11095 -1.25531
Ar 1.49962 0.66197 -1.00386
Ar 1.57594 0.80511 -0.73497
Ar -0.36288 2.04497 -0.65365
Ar 0.18299 0.44024 0.20647
Ar -0.42305 1.20319 -0.62210
Ar 1.33391 1.77821 -0.39622
Ar 1.70666 -0.24256 -0.80964
Ar -1.62513 -0.54405 1.54695
Ar -0.27446 -1.65945 1.14206
Ar -0.01219 -1.94039 1.09965
Ar 0.28424 -1.85434 0.95771
Ar 0.88866 -2.11559 0.22767
Ar -1.16742 0.25471 1.99758
Ar -1.42565 -0.28018 1.34549
Ar -0.47566 -1.06502 1.00391
Ar -0.63276 -0.96278 0.65639
Ar 1.73396 -0.25585 0.20932
Ar -1.38363 1.18349 0.16913
Ar -0.74168 0.06299 0.82675
Ar -0.05755 0.14198 0.83180
Ar 0.91285 1.05690 1.12421
Ar 1.59388 -0.10113 1.08785
Ar -1.06785 1.39684 1.15820
Ar -0.52724 0.32983 1.10073
Ar -0.21120 0.36952 0.40467
Ar 0.82012 1.53918 0.67565
Ar 1.65214 0.74265 -0.39589
Ar -1.35194 1.60417 0.79257
Ar -0.32125 1.81969 -1.02356
Ar -0.48850 1.37023 -0.10999
Ar 0.80517 0.62774 -0.52938
Ar 1.47184 1.16301 0.47241
Ar -1.33782 -0.95052 0.89063
Ar -1.13125 -1.17554 1.49098
Ar 0.27263 -0.78313 1.04370
Ar 1.29608 -1.21935 0.72247
Ar 1.88453 -0.22093 0.60180
Ar -0.56833 -0.58506 1.41003
Ar -0.40493 -0.28140 1.56471
Ar -0.31907 -0.38867 2.24522
Ar -0.06129 -0.67258 0.86779
Ar 2.22499 -0.18710 0.17934
Ar -1.24400 1.23296 0.57790
Ar 0.15018 0.64691 1.81458
Ar 0.73163 0.82063 1.75858
Ar 1.32027 0.48668 1.70136
Ar 1.08421 -0.50363 1.77201
Ar 0.71517 1.15790 1.88088
Ar 0.65432 1.81788 1.05321
Ar 1.05331 0.33648 1.87778
Ar 1.61414 0.41990 0.88962
Ar 2.06949 0.25436 0.23128
Ar 0.33145 1.29589 1.92878
Ar 1.07305 1.88374 0.07965
Ar 1.16334 1.53426 0.91542
Ar 2.00354 0.88071 0.73134
Ar 1.90686 0.12649 0.99432
125
Energy =     1 kcal/mol
Ar -0.13844 -0.59295 -1.16694
Ar 0.05801 -1.55514 0.23717
Ar -0.03118 -1.32965 -0.95325
Ar 0.12506 0.92782 -1.99231
Ar 0.47378 -1.79456 -1.32503
Ar -2.15122 -0.04998 0.41641
Ar -1.45114 -0.66313 -0.97299
Ar -1.48777 -1.38887 0.03563
Ar -1.49318 0.11215 -1.77787
Ar 0.17595 -1.82517 -0.28284
Ar -1.70589 0.31817 -0.97181
Ar -0.97374 0.78948 -1.14599
Ar -0.69234 -0.26736 -1.50961
Ar -0.10154 -0.39156 -1.66088
Ar 0.75300 -1.36897 -1.70063
Ar -1.25405 0.90707 -0.48611
Ar -0.72025 0.73298 -1.40740
Ar -0.49183 -0.16432 -1.84214
Ar 1.21410 1.05878 -1.69986
Ar 0.51432 -0.53473 -2.11233
Ar -0.88765 0.87685 -1.66966
Ar -0.10006 0.02906 -1.28592
Ar -0.31658 1.35208 -1.20585
Ar -0.21736 0.78560 -1.46625
Ar 1.45619 -0.66400 -0.40511
Ar -1.53375 -1.24044 0.60715
Ar -0.80524 -1.35235 0.70433
Ar -0.35004 -1.98960 -0.31344
Ar 0.44575 -1.52737 -0.98813
Ar 0.26219 -1.92033 -1.01802
Ar -2.19107 0.30367 0.31776
Ar -1.97774 0.77121 0.13957
Ar -0.65244 -1.34878 -0.58484
Ar -0.20488 -1.15628 -0.32077
Ar 1.45572 -0.98171 -0.43591
Ar -1.64591 0.46554 -0.70649
Ar -0.56924 0.39584 -1.36684
Ar -0.51711 -1.04770 0.35549
Ar -0.12960 0.32308 -1.03134
Ar 0.84533 -0.46060 -1.92612
Ar -1.04058 0.64347 -0.02287
Ar -0.84241 0.76300 -0.79961
Ar 0.02454 0.40470 -0.65982
Ar 0.87334 -0.13675 -1.06059
Ar 0.23294 -0.09331 -0.94895
Ar -1.10524 1.62525 -0.87427
Ar -0.55725 1.81595 -0.34061
Ar -0.54062 0.82911 -0.57869
Ar 0.82986 1.80607 -0.45148
Ar 1.36335 0.73985 -1.65512
Ar -1.26204 -1.69899 0.38581
Ar -0.87743 -1.88368 0.83269
Ar -1.22961 -0.60512 0.82727
Ar -0.17989 -2.09289 0.18334
Ar 1.22076 -1.40145 -1.33494
Ar -1.09461 -0.25693 0.99036
Ar -0.28079 -0.77893 0.00896
Ar -0.76952 -0.76767 0.26493
Ar 0.88067 -1.56940 -1.13670
Ar 1.57907 -0.45255 -0.01756
Ar -1.98373 0.37475 0.85226
Ar -1.02996 -0.07243 0.63676
Ar 1.57643 -1.43277 -0.57597
Ar 0.04475 -0.23923 1.17667
Ar 0.60202 1.73764 0.16514
Ar -0.97973 1.77708 0.09623
Ar -0.86427 -0.44785 0.56320
Ar 0.71244 0.06356 -1.34886
Ar 1.47799 0.56543 -0.98284
Ar 1.63739 0.90105 -0.73818
Ar -0.35698 2.12940 -0.72417
Ar 0.17071 0.42102 0.23727
Ar -0.51130 1.23319 -0.67079
Ar 1.39837 1.79524 -0.49201
Ar 1.56151 -0.30528 -0.79874
Ar -1.51037 -0.62776 1.60465
Ar -0.21168 -1.52958 1.07458
Ar -0.03956 -1.82213 1.03987
Ar 0.35279 -1.95984 1.01287
Ar 0.81254 -2.00095 0.19964
Ar -1.04912 0.36893 1.97853
Ar -1.44941 -0.26052 1.39673
Ar -0.52529 -1.13271 1.02073
Ar -0.70558 -1.03094 0.69664
Ar 1.80342 -0.26493 0.23333
Ar -1.30585 1.27718 0.23617
Ar -0.78580 0.05356 0.84373
Ar -0.08548 0.13428 0.88032
Ar 0.94453 1.14065 1.19305
Ar 1.59716 -0.13678 1.13390
Ar -1.13455 1.47596 1.23217
Ar -0.53323 0.34419 1.17350
Ar -0.22611 0.31832 0.38924
Ar 0.79348 1.63197 0.67988
Ar 1.61267 0.85764 -0.38705
Ar -1.29468 1.48709 0.73456
Ar -0.39058 1.89086 -1.09173
Ar -0.58642 1.43490 -0.14402
Ar 0.65690 0.49622 -0.57795
Ar 1.51346 1.13484 0.48971
Ar -1.39371 -0.94570 0.94340
Ar -1.08099 -1.09645 1.39250
Ar 0.26198 -0.78436 1.04618
Ar 1.35937 -1.28427 0.74565
Ar 1.97058 -0.20054 0.59167
Ar -0.58039 -0.62725 1.45245
Ar -0.41681 -0.30095 1.63587
Ar -0.32882 -0.36273 2.09970
Ar -0.06398 -0.69901 0.89855
Ar 2.08365 -0.21642 0.13438
Ar -1.21477 1.11259 0.63620
Ar 0.18008 0.68916 1.90596
Ar 0.76767 0.83438 1.85822
Ar 1.29116 0.58103 1.75151
Ar 0.97190 -0.63309 1.80262
Ar 0.71728 1.17165 1.83485
Ar 0.57546 1.92979 1.09314
Ar 1.06108 0.32514 1.96322
Ar 1.61301 0.42958 0.88772
Ar 1.98256 0.36438 0.15974
Ar 0.34220 1.17814 1.84525
Ar 1.01955 1.83688 0.17606
Ar 1.20789 1.56688 0.94443
Ar 2.04765 0.76396 0.68144
Ar 1.93552 0.04821 1.03137
125
Energy =     1 kcal/mol
Ar 0.07346 -0.59038 -1.08609
Ar 0.21426 -1.47155 0.29878
Ar 0.02782 -1.37508 -0.96157
Ar 0.17619 1.11745 -1.87306
Ar 0.45625 -1.74533 -1.28588
Ar -2.19276 -0.05662 0.50292
Ar -1.37049 -0.60682 -0.91182
Ar -1.37010 -1.29499 0.10522
Ar -1.48079 0.18372 -1.71496
Ar 0.15572 -1.94113 -0.25857
Ar -1.79818 0.31149 -1.09537
Ar -0.98214 0.88793 -1.21713
Ar -0.65774 -0.22853 -1.45424
Ar -0.08430 -0.49939 -1.57779
Ar 0.73575 -1.37447 -1.67668
Ar -1.25147 0.90057 -0.32572
Ar -0.72244 0.75715 -1.43900
Ar -0.49122 -0.15330 -1.95336
Ar 1.17120 1.03056 -1.59652
Ar 0.46121 -0.52917 -2.00335
Ar -0.80740 0.86475 -1.78528
Ar -0.06212 -0.03169 -1.10143
Ar -0.33838 1.41191 -1.22742
Ar -0.27730 0.80898 -1.55003
Ar 1.42021 -0.57594 -0.43621
Ar -1.45476 -1.19850 0.64044
Ar -0.62419 -1.42292 0.72489
Ar -0.33015 -2.08043 -0.30024
Ar 0.48610 -1.60157 -1.00914
Ar 0.29080 -1.96531 -1.07563
Ar -2.11703 0.40078 0.32886
Ar -2.07800 0.83707 0.16120
Ar -0.66796 -1.40517 -0.61346
Ar -0.24290 -1.19922 -0.33940
Ar 1.27994 -1.02610 -0.42073
Ar -1.69479 0.49989 -0.71836
Ar -0.56648 0.43087 -1.46265
Ar -0.58720 -1.10437 0.40191
Ar -0.15525 0.38080 -1.07995
Ar 0.75359 -0.42494 -1.82132
Ar -0.92092 0.61996 0.01098
Ar -0.86987 0.79807 -0.82435
Ar 0.02103 0.39413 -0.69763
Ar 0.88427 -0.12763 -1.09640
Ar 0.22791 -0.08393 -1.01751
Ar -1.02954 1.54574 -0.83929
Ar -0.54323 1.90950 -0.31174
Ar -0.57083 0.86737 -0.62031
Ar 0.74072 1.69895 -0.47178
Ar 1.24237 0.67586 -1.72364
Ar -1.24309 -1.75938 0.30807
Ar -0.83057 -1.99513 0.88201
Ar -1.23550 -0.51577 0.84415
Ar -0.17928 -1.95935 0.17392
Ar 1.27675 -1.36361 -1.36023
Ar -1.12159 -0.25766 1.06773
Ar -0.24353 -0.84497 0.06349
Ar -0.78626 -0.80778 0.28035
Ar 0.76097 -1.47466 -1.09951
Ar 1.64437 -0.46273 -0.02682
Ar -2.04542 0.50827 0.80358
Ar -1.06920 -0.11811 0.66751
Ar 1.50998 -1.65200 -0.65040
Ar -0.01986 -0.25164 1.26538
Ar 0.49562 1.86673 0.13705
Ar -0.82068 1.73871 -0.00538
Ar -0.96691 -0.49256 0.61314
Ar 0.74960 0.01438 -1.43983
Ar 1.45523 0.46733 -0.96645
Ar 1.69875 1.00310 -0.76769
Ar -0.34434 2.15736 -0.78039
Ar 0.15220 0.40010 0.27052
Ar -0.60112 1.25688 -0.71807
Ar 1.37239 1.69906 -0.55647
Ar 1.41562 -0.36982 -0.78554
Ar -1.33057 -0.68234 1.59435
Ar -0.17003 -1.36411 1.00996
Ar -0.06990 -1.73770 0.98307
Ar 0.43822 -2.04481 1.05110
Ar 0.73613 -1.88617 0.17157
Ar -0.90779 0.47694 1.91861
Ar -1.47220 -0.24693 1.44887
Ar -0.57609 -1.20310 1.03246
Ar -0.76806 -1.03139 0.73251
Ar 1.67482 -0.30551 0.32527
Ar -1.22602 1.37005 0.31081
Ar -0.80616 0.05411 0.88546
Ar -0.11462 0.12476 0.92975
Ar 0.97675 1.22597 1.26162
Ar 1.60557 -0.16892 1.17749
Ar -1.19263 1.54261 1.29278
Ar -0.53982 0.35539 1.24299
Ar -0.23465 0.26775 0.37380
Ar 0.76952 1.72600 0.68483
Ar 1.57413 0.96805 -0.34760
Ar -1.23555 1.36538 0.67485
Ar -0.45902 1.96178 -1.15341
Ar -0.68491 1.50553 -0.18245
Ar 0.50765 0.36436 -0.62691
Ar 1.55518 1.10657 0.50748
Ar -1.46004 -0.96778 1.00139
Ar -1.03112 -1.01597 1.29194
Ar 0.25816 -0.78644 1.05212
Ar 1.42263 -1.34916 0.76880
Ar 2.05403 -0.17917 0.57503
Ar -0.59020 -0.66500 1.49678
Ar -0.43591 -0.32424 1.68797
Ar -0.33356 -0.33789 1.96921
Ar -0.07510 -0.72249 0.92722
Ar 2.14089 -0.21094 0.03200
Ar -1.18760 0.99801 0.69044
Ar 0.21238 0.73482 1.99643
Ar 0.81015 0.78056 1.95150
Ar 1.25915 0.67378 1.80347
Ar 0.85957 -0.76247 1.83318
Ar 0.69643 1.22460 1.74912
Ar 0.48007 1.97504 1.09480
Ar 1.06583 0.31620 2.03969
Ar 1.61501 0.43668 0.88637
Ar 1.89562 0.47237 0.08902
Ar 0.34928 1.04452 1.74590
Ar 0.95905 1.78781 0.27292
Ar 1.24803 1.59842 0.97176
Ar 2.08697 0.64478 0.63026
Ar 1.95761 -0.03185 1.06581
125
Energy =     1 kcal/mol
Ar 0.28509 -0.58376 -1.00754
Ar 0.37003 -1.38907 0.36001
Ar 0.09074 -1.42291 -0.97005
Ar 0.22671 1.30670 -1.75326
Ar 0.44619 -1.73446 -1.36985
Ar -2.23311 -0.05897 0.58826
Ar -1.28979 -0.55046 -0.85066
Ar -1.25156 -1.20282 0.17828
Ar -1.42535 0.25131 -1.60085
Ar 0.13110 -2.05755 -0.23282
Ar -1.89341 0.29712 -1.23328
Ar -0.99346 0.98758 -1.27795
Ar -0.62090 -0.18866 -1.40146
Ar -0.06700 -0.60632 -1.49221
Ar 0.68335 -1.31592 -1.56948
Ar -1.24686 0.89296 -0.16503
Ar -0.70894 0.78072 -1.45299
Ar -0.49101 -0.14300 -2.06103
Ar 1.11527 0.99839 -1.47844
Ar 0.39594 -0.52800 -1.90132
Ar -0.73503 0.86098 -1.92016
Ar -0.17595 -0.05719 -0.97307
Ar -0.36154 1.47254 -1.24766
Ar -0.34624 0.82856 -1.63165
Ar 1.39317 -0.44056 -0.45483
Ar -1.37430 -1.15316 0.67742
Ar -0.44187 -1.51046 0.74565
Ar -0.30598 -2.16934 -0.28403
Ar 0.44755 -1.65699 -0.89654
Ar 0.30786 -2.01383 -1.11048
Ar -2.04269 0.49977 0.34346
Ar -2.15343 0.88791 0.18286
Ar -0.68147 -1.46079 -0.64088
Ar -0.28248 -1.24170 -0.35736
Ar 1.09975 -1.11719 -0.40833
Ar -1.73998 0.54217 -0.71603
Ar -0.55542 0.45904 -1.55936
Ar -0.65695 -1.16396 0.45379
Ar -0.17798 0.43337 -1.12400
Ar 0.67370 -0.38317 -1.70750
Ar -0.80236 0.59774 0.04350
Ar -0.90343 0.83551 -0.85839
Ar 0.01837 0.38130 -0.74262
Ar 0.89309 -0.11690 -1.13615
Ar 0.37343 -0.10512 -1.02960
Ar -0.95153 1.46470 -0.80353
Ar -0.53323 1.99640 -0.27982
Ar -0.59642 0.91274 -0.66003
Ar 0.65228 1.59193 -0.49151
Ar 1.12350 0.60614 -1.79146
Ar -1.22458 -1.81685 0.22983
Ar -0.71964 -1.95149 0.86290
Ar -1.27783 -0.43326 0.88005
Ar -0.17790 -1.82557 0.16052
Ar 1.25920 -1.24858 -1.30862
Ar -1.14061 -0.24411 1.14821
Ar -0.20894 -0.91381 0.11841
Ar -0.80373 -0.84649 0.30142
Ar 0.72134 -1.34613 -1.09448
Ar 1.70834 -0.47314 -0.03877
Ar -2.10244 0.63894 0.74843
Ar -1.11264 -0.17482 0.70317
Ar 1.31464 -1.72495 -0.66770
Ar -0.08655 -0.26380 1.35206
Ar 0.39378 1.99506 0.11035
Ar -0.70659 1.81770 -0.01934
Ar -1.03702 -0.54014 0.63394
Ar 0.78767 -0.03822 -1.52726
Ar 1.43278 0.37031 -0.94958
Ar 1.75799 1.10378 -0.79290
Ar -0.31360 2.05334 -0.79517
Ar 0.12720 0.37690 0.30560
Ar -0.69306 1.27476 -0.76472
Ar 1.33717 1.59167 -0.61763
Ar 1.26696 -0.43387 -0.77853
Ar -1.15001 -0.73417 1.57994
Ar -0.13897 -1.19020 0.94454
Ar -0.09680 -1.65870 0.92506
Ar 0.48257 -1.94504 0.99463
Ar 0.65887 -1.77094 0.14351
Ar -0.76630 0.58479 1.85841
Ar -1.49150 -0.23777 1.49968
Ar -0.62551 -1.27355 1.03835
Ar -0.82710 -1.00963 0.76789
Ar 1.54992 -0.34483 0.41913
Ar -1.14322 1.47119 0.35466
Ar -0.82515 0.05341 0.93290
Ar -0.14506 0.11366 0.98063
Ar 1.00888 1.31273 1.33075
Ar 1.61830 -0.19888 1.21919
Ar -1.14620 1.47358 1.23885
Ar -0.54655 0.36420 1.31018
Ar -0.23682 0.21893 0.35813
Ar 0.74751 1.82110 0.68736
Ar 1.53707 1.07873 -0.31285
Ar -1.17865 1.23824 0.64768
Ar -0.49547 1.90826 -1.13552
Ar -0.73465 1.46417 -0.31494
Ar 0.35404 0.23208 -0.67744
Ar 1.59702 1.07800 0.52546
Ar -1.52189 -0.99049 1.05448
Ar -0.98187 -0.93343 1.18899
Ar 0.26545 -0.79059 1.06286
Ar 1.48586 -1.41402 0.79192
Ar 2.13337 -0.15797 0.55607
Ar -0.59872 -0.69871 1.54281
Ar -0.51561 -0.34218 1.56618
Ar -0.27903 -0.32280 2.00792
Ar -0.09906 -0.74376 0.95223
Ar 2.19673 -0.20569 -0.06833
Ar -1.16020 0.88107 0.74293
Ar 0.24820 0.78538 2.08269
Ar 0.85227 0.72491 2.03584
Ar 1.19278 0.74780 1.81858
Ar 0.74721 -0.89182 1.86367
Ar 0.67595 1.27288 1.66290
Ar 0.36103 1.92398 1.04177
Ar 1.01577 0.29704 2.00626
Ar 1.61900 0.44295 0.88466
Ar 1.80885 0.58032 0.01934
Ar 0.35712 0.90708 1.65103
Ar 0.89277 1.73843 0.37278
Ar 1.28549 1.62865 0.99907
Ar 2.12434 0.52464 0.57874
Ar 1.97533 -0.11339 1.09829
125
Energy =     1 kcal/mol
Ar 0.49682 -0.57242 -0.93055
Ar 0.52640 -1.30891 0.42009
Ar 0.16006 -1.47506 -0.97814
Ar 0.27686 1.49576 -1.63323
Ar 0.43709 -1.72216 -1.45147
Ar -2.19396 -0.05801 0.65180
Ar -1.20902 -0.49405 -0.78952
Ar -1.13103 -1.11002 0.25577
Ar -1.37056 0.31910 -1.48596
Ar 0.10010 -2.17425 -0.20629
Ar -1.89579 0.26975 -1.30898
Ar -1.00007 1.08367 -1.33407
Ar -0.58285 -0.14806 -1.34880
Ar -0.04845 -0.71247 -1.40594
Ar 0.63058 -1.25977 -1.45615
Ar -1.24070 0.88481 -0.00395
Ar -0.69593 0.81247 -1.46993
Ar -0.49084 -0.13263 -2.16775
Ar 1.05953 0.96303 -1.36245
Ar 0.32351 -0.52979 -1.80272
Ar -0.65833 0.85471 -2.04550
Ar -0.28927 -0.07755 -0.84580
Ar -0.38670 1.53606 -1.26594
Ar -0.42593 0.84255 -1.71233
Ar 1.37550 -0.30945 -0.44543
Ar -1.29192 -1.10424 0.71756
Ar -0.35215 -1.56868 0.71726
Ar -0.27584 -2.25575 -0.26587
Ar 0.39857 -1.71450 -0.78688
Ar 0.31380 -1.96287 -1.09365
Ar -1.96886 0.60094 0.36143
Ar -2.05363 0.86415 0.19126
Ar -0.69293 -1.51543 -0.66687
Ar -0.32353 -1.28465 -0.37536
Ar 0.91979 -1.20810 -0.39638
Ar -1.78536 0.58383 -0.71511
Ar -0.53882 0.48843 -1.65766
Ar -0.72720 -1.22350 0.51127
Ar -0.19874 0.48221 -1.16267
Ar 0.59569 -0.34389 -1.58831
Ar -0.68481 0.57640 0.07545
Ar -0.93903 0.87841 -0.89965
Ar 0.00177 0.37546 -0.79757
Ar 0.89753 -0.10566 -1.18125
Ar 0.52114 -0.12772 -1.03936
Ar -0.99396 1.47566 -0.77771
Ar -0.51247 2.09497 -0.27005
Ar -0.61338 0.93574 -0.68908
Ar 0.56421 1.48500 -0.51106
Ar 1.00434 0.53929 -1.85687
Ar -1.20593 -1.87297 0.15168
Ar -0.59724 -1.88116 0.83273
Ar -1.37182 -0.37784 0.94631
Ar -0.17570 -1.69261 0.14498
Ar 1.23941 -1.13380 -1.25650
Ar -1.15104 -0.21716 1.23779
Ar -0.17614 -0.98416 0.17344
Ar -0.82364 -0.88656 0.32874
Ar 0.68425 -1.21784 -1.09609
Ar 1.77132 -0.48136 -0.04956
Ar -2.05257 0.73572 0.65104
Ar -1.13496 -0.21017 0.73101
Ar 1.07247 -1.74260 -0.66366
Ar -0.15786 -0.27608 1.43830
Ar 0.29320 2.12273 0.08432
Ar -0.61482 1.91422 0.01211
Ar -1.07675 -0.59737 0.62840
Ar 0.83158 -0.08647 -1.60776
Ar 1.41006 0.27320 -0.93275
Ar 1.81342 1.20312 -0.81437
Ar -0.28625 1.94471 -0.81313
Ar 0.09719 0.35155 0.34158
Ar -0.67049 1.22163 -0.80640
Ar 1.30222 1.48308 -0.67832
Ar 1.10966 -0.49360 -0.79778
Ar -0.96578 -0.78602 1.55998
Ar -0.11262 -1.03891 0.87291
Ar -0.03523 -1.59722 0.91910
Ar 0.52139 -1.82329 0.92684
Ar 0.57982 -1.65369 0.11660
Ar -0.62447 0.69216 1.79729
Ar -1.50696 -0.23004 1.54727
Ar -0.67382 -1.34046 1.03526
Ar -0.88420 -0.99183 0.80041
Ar 1.42728 -0.38473 0.50984
Ar -1.05818 1.58131 0.37219
Ar -0.85035 0.04662 0.98001
Ar -0.17697 0.10132 1.03329
Ar 1.03861 1.40030 1.40169
Ar 1.63357 -0.22787 1.25963
Ar -1.08614 1.38642 1.16914
Ar -0.55338 0.37115 1.37606
Ar -0.23436 0.17209 0.34251
Ar 0.71544 1.92516 0.71051
Ar 1.50108 1.18977 -0.28086
Ar -1.12374 1.10748 0.64572
Ar -0.51625 1.80329 -1.08359
Ar -0.77343 1.39074 -0.47931
Ar 0.21027 0.08836 -0.72882
Ar 1.63895 1.04895 0.54343
Ar -1.57867 -1.01423 1.10233
Ar -0.93287 -0.84859 1.08765
Ar 0.27072 -0.79560 1.07332
Ar 1.54904 -1.47885 0.81501
Ar 2.21098 -0.13635 0.53750
Ar -0.61107 -0.73661 1.58750
Ar -0.59256 -0.35524 1.43822
Ar -0.22343 -0.30822 2.04949
Ar -0.12358 -0.74833 0.98275
Ar 2.25048 -0.20121 -0.16747
Ar -1.13245 0.75907 0.79648
Ar 0.28551 0.83444 2.15577
Ar 0.85232 0.62674 2.00833
Ar 1.09460 0.80398 1.79663
Ar 0.63478 -1.02114 1.89409
Ar 0.65624 1.31766 1.57374
Ar 0.24387 1.87223 0.98700
Ar 0.95531 0.28266 1.95356
Ar 1.62433 0.44890 0.88234
Ar 1.72208 0.68878 -0.04976
Ar 0.36751 0.77079 1.56125
Ar 0.83434 1.68070 0.45345
Ar 1.28801 1.61599 1.00175
Ar 2.16012 0.40374 0.52722
Ar 1.99073 -0.19531 1.12957
125
Energy =     1 kcal/mol
Ar 0.69594 -0.55599 -0.85826
Ar 0.68278 -1.23263 0.47732
Ar 0.23469 -1.53237 -0.98631
Ar 0.32672 1.68474 -1.51301
Ar 0.42252 -1.68954 -1.50940
Ar -2.11537 -0.05562 0.70434
Ar -1.12813 -0.43757 -0.72842
Ar -1.08136 -1.06597 0.32654
Ar -1.31752 0.38681 -1.37025
Ar 0.07576 -2.28950 -0.17799
Ar -1.73862 0.21990 -1.27811
Ar -1.00019 1.17397 -1.38728
Ar -0.54383 -0.10677 -1.29519
Ar -0.02838 -0.81777 -1.32039
Ar 0.56991 -1.21517 -1.37490
Ar -1.23377 0.87658 0.15787
Ar -0.69194 0.84356 -1.48066
Ar -0.48982 -0.12190 -2.27029
Ar 1.00377 0.92705 -1.24693
Ar 0.25294 -0.53009 -1.70057
Ar -0.55454 0.80461 -2.08372
Ar -0.39943 -0.09486 -0.71955
Ar -0.39614 1.57156 -1.30863
Ar -0.49519 0.86568 -1.78593
Ar 1.35689 -0.17985 -0.43768
Ar -1.22194 -1.05425 0.75606
Ar -0.38065 -1.58280 0.61009
Ar -0.24619 -2.28706 -0.24274
Ar 0.34691 -1.77250 -0.68467
Ar 0.31976 -1.88716 -1.06824
Ar -1.84796 0.59102 0.35979
Ar -1.96336 0.90684 0.15333
Ar -0.70223 -1.56884 -0.69117
Ar -0.36613 -1.32891 -0.39387
Ar 0.73972 -1.30002 -0.38515
Ar -1.83066 0.62529 -0.71463
Ar -0.52521 0.51703 -1.75295
Ar -0.80185 -1.27718 0.57097
Ar -0.21773 0.52891 -1.19633
Ar 0.50055 -0.32616 -1.47006
Ar -0.56749 0.55516 0.10755
Ar -0.96804 0.92931 -0.94201
Ar -0.03280 0.38164 -0.86235
Ar 0.90980 -0.09395 -1.23970
Ar 0.65716 -0.15651 -1.04037
Ar -1.07740 1.51720 -0.76102
Ar -0.47884 2.21112 -0.28933
Ar -0.60712 0.83844 -0.67236
Ar 0.47635 1.37811 -0.53061
Ar 0.88510 0.47253 -1.92139
Ar -1.18707 -1.92865 0.07368
Ar -0.48012 -1.81969 0.81105
Ar -1.47564 -0.33910 1.02765
Ar -0.17356 -1.55921 0.12978
Ar 1.21741 -1.01920 -1.20391
Ar -1.16239 -0.19006 1.32259
Ar -0.14441 -1.05575 0.22903
Ar -0.77188 -0.88127 0.38135
Ar 0.65340 -1.08219 -1.06434
Ar 1.83444 -0.48811 -0.06093
Ar -2.00229 0.86338 0.61042
Ar -1.13769 -0.23321 0.74975
Ar 0.82903 -1.75908 -0.65948
Ar -0.23589 -0.28914 1.52344
Ar 0.19275 2.25012 0.05850
Ar -0.53602 1.99167 0.07131
Ar -1.11528 -0.65807 0.62860
Ar 0.89139 -0.11420 -1.67887
Ar 1.38680 0.17556 -0.91593
Ar 1.74871 1.22364 -0.78143
Ar -0.25900 1.83546 -0.83070
Ar 0.06850 0.32715 0.37791
Ar -0.63579 1.25514 -0.90936
Ar 1.26904 1.37257 -0.73742
Ar 0.96637 -0.55059 -0.81357
Ar -0.87641 -0.85600 1.51560
Ar -0.08276 -1.01203 0.76102
Ar 0.14748 -1.56239 0.98390
Ar 0.55866 -1.70058 0.85871
Ar 0.49985 -1.53273 0.09265
Ar -0.48233 0.79794 1.73424
Ar -1.51803 -0.22266 1.59050
Ar -0.72221 -1.40378 1.02403
Ar -0.91489 -1.00819 0.75970
Ar 1.30534 -0.42461 0.60007
Ar -0.97299 1.68934 0.39087
Ar -0.88126 0.03361 1.02780
Ar -0.21058 0.08802 1.08789
Ar 1.05721 1.47856 1.46439
Ar 1.64918 -0.25658 1.29964
Ar -1.02617 1.29834 1.09799
Ar -0.56009 0.37753 1.44192
Ar -0.23394 0.12456 0.32693
Ar 0.67676 2.03460 0.74577
Ar 1.46519 1.30091 -0.25115
Ar -1.06867 0.97963 0.64279
Ar -0.55492 1.72426 -1.00479
Ar -0.81169 1.31585 -0.62586
Ar 0.07987 -0.07022 -0.77997
Ar 1.68088 1.01932 0.56127
Ar -1.63162 -1.03795 1.14659
Ar -0.89416 -0.72620 1.05517
Ar 0.26707 -0.80135 1.08112
Ar 1.56055 -1.49431 0.81107
Ar 2.25727 -0.11054 0.51210
Ar -0.52773 -0.75145 1.64724
Ar -0.66549 -0.37120 1.31126
Ar -0.16820 -0.29378 2.08925
Ar -0.14574 -0.63102 1.05604
Ar 2.29537 -0.19686 -0.26504
Ar -1.10452 0.63667 0.84995
Ar 0.30479 0.82695 2.08208
Ar 0.82879 0.55941 1.96922
Ar 0.99812 0.86084 1.77247
Ar 0.52229 -1.15041 1.92441
Ar 0.64222 1.36233 1.48202
Ar 0.12861 1.82053 0.93109
Ar 0.90573 0.23072 1.89265
Ar 1.63042 0.45480 0.87945
Ar 1.63490 0.79844 -0.11887
Ar 0.37891 0.63539 1.47347
Ar 0.78099 1.61731 0.52338
Ar 1.26268 1.56956 0.98607
Ar 2.19532 0.28020 0.47605
Ar 1.97968 -0.27398 1.14491
125
Energy =     1 kcal/mol
Ar 0.54375 -0.54258 -0.84884
Ar 0.83775 -1.15896 0.53308
Ar 0.30181 -1.52850 -0.97773
Ar 0.36875 1.83560 -1.36181
Ar 0.39912 -1.62109 -1.53142
Ar -2.03637 -0.05311 0.75691
Ar -1.04698 -0.38092 -0.66736
Ar -1.11981 -1.08183 0.39475
Ar -1.26877 0.45283 -1.25341
Ar 0.10945 -2.29651 -0.12994
Ar -1.57619 0.17233 -1.24750
Ar -0.99485 1.25885 -1.43737
Ar -0.50407 -0.06487 -1.24026
Ar -0.00642 -0.92208 -1.23598
Ar 0.49701 -1.18870 -1.34046
Ar -1.22599 0.86850 0.32304
Ar -0.70300 0.87223 -1.47199
Ar -0.45633 -0.10301 -2.22098
Ar 0.94817 0.89115 -1.13117
Ar 0.18487 -0.52871 -1.59380
Ar -0.45483 0.69410 -2.14902
Ar -0.50540 -0.11107 -0.59533
Ar -0.39693 1.59171 -1.36409
Ar -0.51919 0.93435 -1.75801
Ar 1.33807 -0.05031 -0.43156
Ar -1.27454 -1.02095 0.78478
Ar -0.38260 -1.53669 0.45830
Ar -0.26679 -2.21115 -0.22035
Ar 0.29121 -1.82922 -0.59085
Ar 0.33873 -1.87109 -1.05451
Ar -1.71328 0.55116 0.35024
Ar -1.87903 0.96682 0.10816
Ar -0.70917 -1.62067 -0.71337
Ar -0.41032 -1.37513 -0.41302
Ar 0.55880 -1.39476 -0.37445
Ar -1.87574 0.66654 -0.71448
Ar -0.51619 0.53142 -1.84555
Ar -0.87191 -1.35158 0.61406
Ar -0.23540 0.57356 -1.22566
Ar 0.40813 -0.30766 -1.35070
Ar -0.44949 0.53295 0.14030
Ar -0.98794 0.98749 -0.98274
Ar -0.06999 0.38523 -0.93154
Ar 0.97473 -0.07244 -1.34440
Ar 0.73735 -0.20547 -1.00175
Ar -1.16985 1.56461 -0.75532
Ar -0.43174 2.25721 -0.29604
Ar -0.60569 0.74457 -0.65940
Ar 0.38855 1.27123 -0.55026
Ar 0.76586 0.40503 -1.98534
Ar -1.16801 -1.98410 -0.00424
Ar -0.39102 -1.81167 0.83342
Ar -1.57039 -0.29792 1.11035
Ar -0.17247 -1.42289 0.11738
Ar 1.19310 -0.90406 -1.15035
Ar -1.17641 -0.16459 1.40179
Ar -0.11350 -1.13045 0.28725
Ar -0.63209 -0.82061 0.46326
Ar 0.63379 -0.92996 -0.98450
Ar 1.89841 -0.49367 -0.07296
Ar -1.95876 1.00359 0.58496
Ar -1.14016 -0.26150 0.77572
Ar 0.58648 -1.77246 -0.65608
Ar -0.31846 -0.30444 1.60651
Ar 0.08941 2.33194 0.03185
Ar -0.45716 2.07109 0.12679
Ar -1.14713 -0.72761 0.63430
Ar 0.94853 -0.14253 -1.74159
Ar 1.36255 0.07667 -0.89836
Ar 1.63823 1.21703 -0.72857
Ar -0.22452 1.72823 -0.84421
Ar 0.04514 0.30658 0.41516
Ar -0.58318 1.27983 -1.05595
Ar 1.24015 1.26031 -0.79462
Ar 1.17397 -0.59873 -0.77249
Ar -0.85681 -0.93819 1.45034
Ar -0.05212 -0.98742 0.64808
Ar 0.33255 -1.52798 1.04598
Ar 0.59182 -1.57549 0.79108
Ar 0.42050 -1.40946 0.06944
Ar -0.34043 0.90140 1.66949
Ar -1.52370 -0.21524 1.62814
Ar -0.77072 -1.46455 1.00398
Ar -0.82574 -0.97776 0.71984
Ar 1.18364 -0.46442 0.69036
Ar -0.88714 1.79734 0.40922
Ar -0.91699 0.01321 1.07741
Ar -0.24603 0.07375 1.14441
Ar 0.99046 1.44270 1.41375
Ar 1.65464 -0.28420 1.34482
Ar -0.96635 1.20878 1.02499
Ar -0.56597 0.38431 1.50769
Ar -0.24013 0.07421 0.31024
Ar 0.62694 2.10348 0.76597
Ar 1.42953 1.41026 -0.22410
Ar -1.01518 0.84778 0.64119
Ar -0.61318 1.65087 -0.91398
Ar -0.85974 1.24047 -0.72502
Ar -0.05474 -0.22523 -0.83229
Ar 1.72264 0.98902 0.57913
Ar -1.68111 -1.06032 1.18824
Ar -0.86180 -0.60246 1.02947
Ar 0.25562 -0.80638 1.08667
Ar 1.49824 -1.43920 0.76864
Ar 2.20335 -0.12784 0.46980
Ar -0.37376 -0.74673 1.71915
Ar -0.73523 -0.38348 1.18915
Ar -0.11342 -0.27952 2.12700
Ar -0.16390 -0.51313 1.13131
Ar 2.23944 -0.18473 -0.35005
Ar -1.07583 0.51869 0.90049
Ar 0.32180 0.80797 1.97979
Ar 0.79115 0.55194 1.93939
Ar 0.89911 0.91419 1.75007
Ar 0.39487 -1.24237 1.89451
Ar 0.63442 1.40796 1.38987
Ar 0.01448 1.76906 0.87473
Ar 0.87034 0.12397 1.81985
Ar 1.63693 0.46096 0.87606
Ar 1.54708 0.91031 -0.18835
Ar 0.39092 0.50035 1.38700
Ar 0.72692 1.55755 0.59595
Ar 1.23556 1.52254 0.97246
Ar 2.22882 0.20483 0.41881
Ar 1.94179 -0.34879 1.13303
125
Energy =     1 kcal/mol
Ar 0.38244 -0.52470 -0.84639
Ar 0.99142 -1.08715 0.58954
Ar 0.35906 -1.44242 -0.94719
Ar 0.39320 1.89979 -1.14330
Ar 0.37599 -1.54914 -1.54765
Ar -1.95647 -0.05084 0.81000
Ar -0.96435 -0.32348 -0.60614
Ar -1.15074 -1.09490 0.48038
Ar -1.22436 0.51508 -1.13623
Ar 0.14162 -2.18406 -0.07428
Ar -1.40867 0.12956 -1.21678
Ar -0.98440 1.33887 -1.48374
Ar -0.46312 -0.02253 -1.18382
Ar 0.01870 -1.02590 -1.15256
Ar 0.42207 -1.16456 -1.30194
Ar -1.22781 0.86293 0.48153
Ar -0.73476 0.89778 -1.43170
Ar -0.41307 -0.08130 -2.12538
Ar 0.89356 0.85633 -1.01436
Ar 0.11950 -0.52558 -1.48214
Ar -0.33185 0.58504 -2.21027
Ar -0.60996 -0.12806 -0.47343
Ar -0.40117 1.60903 -1.41157
Ar -0.52302 1.00534 -1.75831
Ar 1.31936 0.07951 -0.42986
Ar -1.33824 -1.01441 0.82315
Ar -0.38302 -1.48628 0.30564
Ar -0.29030 -2.13362 -0.19854
Ar 0.10460 -1.91047 -0.47076
Ar 0.37311 -1.93639 -1.05346
Ar -1.57930 0.51683 0.34024
Ar -1.79378 1.02400 0.06917
Ar -0.71340 -1.67043 -0.73282
Ar -0.45613 -1.42369 -0.43319
Ar 0.37562 -1.49475 -0.36361
Ar -1.92058 0.70770 -0.71445
Ar -0.52183 0.53332 -1.89334
Ar -0.94140 -1.42995 0.65306
Ar -0.25394 0.61787 -1.25408
Ar 0.31686 -0.29186 -1.22977
Ar -0.32981 0.50811 0.17444
Ar -1.01871 1.02288 -1.05859
Ar -0.10888 0.38816 -1.00222
Ar 1.03929 -0.05266 -1.45248
Ar 0.81258 -0.26105 -0.96412
Ar -1.25685 1.60771 -0.75029
Ar -0.35692 2.16473 -0.27904
Ar -0.60612 0.65354 -0.64901
Ar 0.30072 1.16440 -0.57008
Ar 0.64686 0.33668 -2.04875
Ar -1.12665 -2.00123 -0.08151
Ar -0.30405 -1.80110 0.85489
Ar -1.66005 -0.25518 1.19555
Ar -0.18810 -1.34042 0.06133
Ar 1.16713 -0.78629 -1.09303
Ar -1.19243 -0.14000 1.47599
Ar -0.07642 -1.18089 0.35871
Ar -0.48418 -0.75388 0.53500
Ar 0.61465 -0.77816 -0.90761
Ar 1.96384 -0.49749 -0.08600
Ar -1.91329 1.14165 0.55404
Ar -1.13892 -0.29405 0.80883
Ar 0.47090 -1.75313 -0.68849
Ar -0.40146 -0.32477 1.68829
Ar -0.02491 2.22259 0.00204
Ar -0.37748 2.15248 0.17734
Ar -1.15547 -0.77568 0.62829
Ar 1.00502 -0.16967 -1.79885
Ar 1.33684 -0.02391 -0.87748
Ar 1.52373 1.21105 -0.67344
Ar -0.19457 1.61927 -0.85970
Ar 0.02039 0.28600 0.45165
Ar -0.53540 1.30954 -1.20214
Ar 1.21384 1.14622 -0.85151
Ar 1.39070 -0.64799 -0.73357
Ar -0.83540 -1.01759 1.38244
Ar -0.01407 -0.93553 0.56919
Ar 0.51486 -1.49276 1.11106
Ar 0.62812 -1.44881 0.71890
Ar 0.34069 -1.28589 0.04253
Ar -0.19868 1.00344 1.60427
Ar -1.52391 -0.20751 1.65914
Ar -0.81914 -1.52283 0.97673
Ar -0.75734 -0.94107 0.69663
Ar 1.06201 -0.50442 0.78072
Ar -0.80017 1.90588 0.42689
Ar -0.95755 -0.01468 1.12866
Ar -0.28328 0.05757 1.20261
Ar 0.94265 1.38964 1.34715
Ar 1.64969 -0.30998 1.39657
Ar -0.90685 1.11692 0.94976
Ar -0.57086 0.39065 1.57234
Ar -0.24709 0.02641 0.29328
Ar 0.53740 2.03937 0.73800
Ar 1.39472 1.51585 -0.19908
Ar -0.95442 0.70872 0.65271
Ar -0.66906 1.56843 -0.82737
Ar -0.89072 1.19557 -0.79595
Ar -0.19160 -0.37859 -0.88487
Ar 1.76411 0.95782 0.59735
Ar -1.65650 -1.03661 1.17723
Ar -0.90940 -0.61423 0.90068
Ar 0.24031 -0.81059 1.09102
Ar 1.43547 -1.38384 0.72607
Ar 2.14636 -0.25060 0.44098
Ar -0.22094 -0.73676 1.78817
Ar -0.73074 -0.26063 1.16330
Ar -0.05951 -0.26571 2.16257
Ar -0.18221 -0.39516 1.20836
Ar 2.16588 -0.17257 -0.43153
Ar -1.04557 0.40441 0.94723
Ar 0.34181 0.78775 1.87626
Ar 0.75349 0.54733 1.90502
Ar 0.79712 0.96227 1.73016
Ar 0.25429 -1.29912 1.80879
Ar 0.59774 1.45358 1.29467
Ar -0.09910 1.71771 0.81820
Ar 0.83396 0.02183 1.74803
Ar 1.64376 0.46781 0.87206
Ar 1.45865 1.02585 -0.25909
Ar 0.40326 0.36556 1.30166
Ar 0.67306 1.49938 0.66988
Ar 1.20589 1.47494 0.96132
Ar 2.26222 0.23477 0.34741
Ar 1.91415 -0.42521 1.11401
125
Energy =     1 kcal/mol
Ar 0.20894 -0.48948 -0.84518
Ar 1.14512 -1.01782 0.64756
Ar 0.41755 -1.36028 -0.91778
Ar 0.41703 1.96264 -0.92383
Ar 0.35320 -1.47259 -1.55865
Ar -1.87477 -0.04961 0.86522
Ar -0.89425 -0.27433 -0.55632
Ar -1.17681 -1.13712 0.56694
Ar -1.18136 0.57431 -1.02009
Ar 0.16735 -2.06817 -0.02404
Ar -1.23817 0.09243 -1.18484
Ar -0.96880 1.41403 -1.52592
Ar -0.41981 0.02026 -1.12543
Ar 0.04971 -1.13082 -1.07000
Ar 0.34267 -1.14574 -1.25926
Ar -1.24656 0.86214 0.62675
Ar -0.76700 0.92935 -1.38879
Ar -0.36978 -0.05848 -2.02952
Ar 0.84269 0.82476 -0.89574
Ar 0.05668 -0.52038 -1.36527
Ar -0.19038 0.46947 -2.23370
Ar -0.70092 -0.13663 -0.34118
Ar -0.40401 1.63227 -1.45997
Ar -0.52828 1.07173 -1.75659
Ar 1.30085 0.20803 -0.43341
Ar -1.41029 -1.02925 0.87268
Ar -0.40171 -1.44860 0.18250
Ar -0.31297 -2.05743 -0.17145
Ar -0.08856 -1.99213 -0.34764
Ar 0.40850 -1.99432 -1.04542
Ar -1.44349 0.48576 0.33109
Ar -1.70854 1.08080 0.03387
Ar -0.71447 -1.71744 -0.74852
Ar -0.50346 -1.47526 -0.45488
Ar 0.19099 -1.59939 -0.35494
Ar -1.96518 0.74886 -0.71441
Ar -0.53765 0.52999 -1.91273
Ar -1.02206 -1.49245 0.66938
Ar -0.27650 0.66603 -1.28647
Ar 0.22492 -0.28117 -1.10751
Ar -0.20714 0.47807 0.21173
Ar -1.07694 1.00977 -1.20394
Ar -0.14756 0.38650 -1.06988
Ar 1.10402 -0.03018 -1.54965
Ar 0.88586 -0.32046 -0.92782
Ar -1.34077 1.64855 -0.74592
Ar -0.29481 2.06836 -0.27286
Ar -0.60678 0.56326 -0.64013
Ar 0.21274 1.05771 -0.59022
Ar 0.52814 0.26779 -2.11177
Ar -1.06753 -1.98781 -0.15812
Ar -0.21829 -1.78889 0.87546
Ar -1.74704 -0.21077 1.28312
Ar -0.19199 -1.27294 -0.05863
Ar 1.14146 -0.66540 -1.03049
Ar -1.20514 -0.11434 1.54250
Ar -0.05212 -1.28214 0.37628
Ar -0.32586 -0.68299 0.60035
Ar 0.60901 -0.63942 -0.83668
Ar 2.03063 -0.49889 -0.10009
Ar -1.85332 1.27000 0.51615
Ar -1.13283 -0.32834 0.84837
Ar 0.36444 -1.72448 -0.72936
Ar -0.48153 -0.34915 1.76834
Ar -0.11466 2.10482 -0.02357
Ar -0.31142 2.23611 0.23557
Ar -1.16137 -0.78969 0.60514
Ar 1.06010 -0.19994 -1.86461
Ar 1.30904 -0.12507 -0.85232
Ar 1.41543 1.20786 -0.62016
Ar -0.17041 1.50876 -0.87708
Ar -0.01109 0.26329 0.48365
Ar -0.49641 1.33149 -1.34249
Ar 1.17833 1.02793 -0.91215
Ar 1.60433 -0.69804 -0.69936
Ar -0.81402 -1.09638 1.31244
Ar 0.04289 -0.80398 0.57793
Ar 0.69712 -1.45644 1.17305
Ar 0.66573 -1.32073 0.64882
Ar 0.25647 -1.16456 0.01292
Ar -0.05638 1.10478 1.53922
Ar -1.52479 -0.20024 1.68531
Ar -0.85783 -1.58582 0.96917
Ar -0.71114 -0.90887 0.68100
Ar 0.94040 -0.54543 0.87085
Ar -0.71129 2.01530 0.44356
Ar -1.04371 -0.00840 1.17608
Ar -0.32327 0.03711 1.26200
Ar 0.92928 1.33396 1.28094
Ar 1.64748 -0.33712 1.44489
Ar -0.84835 1.02151 0.87176
Ar -0.57509 0.39565 1.63546
Ar -0.25080 -0.01433 0.27803
Ar 0.44686 1.96919 0.70854
Ar 1.36064 1.61681 -0.17597
Ar -0.87969 0.56065 0.68406
Ar -0.72119 1.48159 -0.74447
Ar -0.88847 1.20170 -0.80560
Ar -0.32777 -0.53044 -0.93896
Ar 1.80513 0.92527 0.61629
Ar -1.60431 -0.99673 1.14592
Ar -0.94521 -0.62684 0.77565
Ar 0.22348 -0.81461 1.09427
Ar 1.37044 -1.32680 0.68295
Ar 2.08957 -0.37098 0.41081
Ar -0.06967 -0.72137 1.85577
Ar -0.67955 -0.16243 1.14925
Ar -0.00661 -0.25271 2.19629
Ar -0.20346 -0.27434 1.28741
Ar 2.09096 -0.16227 -0.51088
Ar -1.01295 0.29060 0.99098
Ar 0.36856 0.76655 1.77142
Ar 0.71247 0.54845 1.86696
Ar 0.69139 1.00457 1.71229
Ar 0.11357 -1.35557 1.72276
Ar 0.52941 1.50155 1.19439
Ar -0.21234 1.66655 0.76143
Ar 0.79696 -0.07791 1.67654
Ar 1.65103 0.47590 0.86723
Ar 1.36851 1.14398 -0.32391
Ar 0.41569 0.23087 1.21717
Ar 0.61955 1.44289 0.74602
Ar 1.17211 1.42637 0.95387
Ar 2.26852 0.25899 0.27286
Ar 1.88368 -0.50010 1.09795
125
Energy =     1 kcal/mol
Ar 0.02816 -0.50055 -0.79397
Ar 1.29226 -0.93307 0.70762
Ar 0.46936 -1.27889 -0.89265
Ar 0.44055 2.02524 -0.70426
Ar 0.33010 -1.39109 -1.56380
Ar -1.79126 -0.05016 0.92511
Ar -0.88843 -0.26884 -0.56864
Ar -1.20179 -1.21084 0.65314
Ar -1.13700 0.63451 -0.90634
Ar 0.18599 -1.94900 0.01866
Ar -1.06673 0.05854 -1.15168
Ar -0.92636 1.45157 -1.52992
Ar -0.37292 0.06611 -1.06590
Ar 0.05807 -1.23950 -0.96462
Ar 0.29208 -1.13241 -1.23594
Ar -1.26041 0.85776 0.77266
Ar -0.78097 0.96509 -1.35288
Ar -0.32623 -0.03363 -1.93376
Ar 0.79609 0.79600 -0.77686
Ar -0.00494 -0.51378 -1.24214
Ar -0.04965 0.34826 -2.23281
Ar -0.72687 -0.10118 -0.14734
Ar -0.39404 1.69692 -1.52504
Ar -0.53692 1.13697 -1.74696
Ar 1.28237 0.33508 -0.43933
Ar -1.43251 -1.05341 0.84911
Ar -0.42705 -1.41821 0.07578
Ar -0.49688 -2.02533 -0.01410
Ar -0.11120 -2.02516 -0.34950
Ar 0.43830 -2.02428 -1.02060
Ar -1.30607 0.45711 0.32390
Ar -1.62365 1.13803 0.00101
Ar -0.71211 -1.76092 -0.75918
Ar -0.55165 -1.53061 -0.47829
Ar 0.00543 -1.70828 -0.34944
Ar -2.00957 0.79004 -0.71433
Ar -0.54995 0.52758 -1.93401
Ar -1.11489 -1.54499 0.66215
Ar -0.30221 0.71646 -1.32075
Ar 0.13940 -0.22783 -1.03931
Ar -0.08454 0.44614 0.24732
Ar -1.14556 0.99925 -1.34289
Ar -0.18898 0.37965 -1.13646
Ar 1.17021 -0.00175 -1.63356
Ar 0.93326 -0.35293 -0.87845
Ar -1.41919 1.68359 -0.73966
Ar -0.31876 1.95501 -0.37760
Ar -0.60742 0.47293 -0.63260
Ar 0.12450 0.95132 -0.61090
Ar 0.40915 0.19879 -2.17463
Ar -1.00766 -1.97409 -0.23492
Ar -0.13308 -1.77596 0.89560
Ar -1.83091 -0.16448 1.37114
Ar -0.17810 -1.19663 -0.19038
Ar 1.14166 -0.57151 -0.97700
Ar -1.20352 -0.08407 1.59703
Ar -0.03170 -1.38295 0.38578
Ar -0.19177 -0.60980 0.67109
Ar 0.60473 -0.49645 -0.76896
Ar 2.09780 -0.49815 -0.11368
Ar -1.76196 1.37701 0.46749
Ar -1.13139 -0.35041 0.89487
Ar 0.25570 -1.69230 -0.77221
Ar -0.55907 -0.37394 1.84638
Ar -0.09345 1.99646 0.03830
Ar -0.26880 2.28738 0.31434
Ar -1.24090 -0.83060 0.52938
Ar 1.11331 -0.23631 -1.94279
Ar 1.27650 -0.22900 -0.82651
Ar 1.32527 1.23071 -0.70319
Ar -0.14878 1.39746 -0.89540
Ar -0.04712 0.23408 0.51469
Ar -0.47703 1.30518 -1.46664
Ar 1.14142 0.90956 -0.96851
Ar 1.81628 -0.74723 -0.66640
Ar -0.79308 -1.17558 1.24030
Ar 0.11927 -0.67987 0.58354
Ar 0.87935 -1.41919 1.23224
Ar 0.70458 -1.19194 0.58121
Ar 0.16447 -1.04674 -0.01586
Ar 0.08726 1.20531 1.47454
Ar -1.53873 -0.19612 1.71002
Ar -0.88488 -1.65395 0.98448
Ar -0.66745 -0.87531 0.66366
Ar 0.81916 -0.58800 0.96044
Ar -0.61870 2.12616 0.45863
Ar -1.15264 -0.02380 1.24334
Ar -0.39807 0.09292 1.31589
Ar 0.91317 1.28066 1.20990
Ar 1.64835 -0.36640 1.48850
Ar -0.79326 0.92126 0.79071
Ar -0.57880 0.39891 1.69690
Ar -0.25048 -0.04718 0.26583
Ar 0.35668 1.89657 0.67961
Ar 1.32667 1.71321 -0.15471
Ar -0.81027 0.41367 0.72099
Ar -0.74002 1.44763 -0.64838
Ar -0.91938 1.15304 -0.83464
Ar -0.46048 -0.68057 -0.99428
Ar 1.84535 0.89064 0.63635
Ar -1.59412 -0.94439 1.18050
Ar -0.89826 -0.59291 0.71275
Ar 0.20566 -0.81840 1.09544
Ar 1.30928 -1.28469 0.63865
Ar 2.03260 -0.49126 0.37822
Ar 0.08044 -0.70354 1.92328
Ar -0.61712 -0.07529 1.13448
Ar 0.04562 -0.24095 2.22847
Ar -0.19458 -0.22849 1.37527
Ar 2.01534 -0.15369 -0.58835
Ar -0.96952 0.20556 1.01113
Ar 0.40071 0.74331 1.66618
Ar 0.66675 0.55599 1.82588
Ar 0.58418 1.04330 1.69535
Ar -0.02723 -1.41147 1.63653
Ar 0.46580 1.54809 1.09317
Ar -0.32550 1.61584 0.70429
Ar 0.75948 -0.17674 1.60478
Ar 1.65905 0.48598 0.86121
Ar 1.25689 1.23767 -0.25486
Ar 0.42807 0.09600 1.13333
Ar 0.56702 1.38752 0.82495
Ar 1.13378 1.37677 0.95002
Ar 2.25078 0.27989 0.19526
Ar 1.84998 -0.57277 1.08614
125
Energy =     1 kcal/mol
Ar -0.15669 -0.53110 -0.72893
Ar 1.43153 -0.82297 0.77048
Ar 0.50954 -1.19848 -0.87331
Ar 0.46385 2.08770 -0.48459
Ar 0.30628 -1.30532 -1.56259
Ar -1.70707 -0.05226 0.99065
Ar -0.88248 -0.26289 -0.58061
Ar -1.19593 -1.27494 0.71228
Ar -1.09039 0.69725 -0.79417
Ar 0.19915 -1.82756 0.05477
Ar -0.89448 0.02557 -1.11755
Ar -0.84863 1.43962 -1.48667
Ar -0.32926 0.10281 -1.00177
Ar 0.05940 -1.35179 -0.84538
Ar 0.25890 -1.12316 -1.22356
Ar -1.26921 0.85230 0.91793
Ar -0.77507 1.00479 -1.32344
Ar -0.28203 -0.00642 -1.83869
Ar 0.75452 0.76900 -0.66038
Ar -0.06754 -0.50748 -1.11167
Ar 0.04827 0.24336 -2.23130
Ar -0.75176 -0.06557 0.04595
Ar -0.36469 1.67154 -1.51068
Ar -0.57347 1.14737 -1.82499
Ar 1.26368 0.46191 -0.44596
Ar -1.46979 -1.05335 0.81780
Ar -0.44572 -1.38570 -0.03439
Ar -0.69233 -1.99408 0.15077
Ar -0.13863 -2.13142 -0.35829
Ar 0.45370 -1.99405 -0.96419
Ar -1.16770 0.42928 0.31831
Ar -1.53922 1.19612 -0.02987
Ar -0.70811 -1.80275 -0.76635
Ar -0.59849 -1.58821 -0.50088
Ar -0.16053 -1.73917 -0.34276
Ar -2.04407 0.82737 -0.71081
Ar -0.56064 0.52498 -1.95490
Ar -1.19735 -1.63309 0.65864
Ar -0.32950 0.76444 -1.35342
Ar 0.05701 -0.15613 -0.99126
Ar 0.03287 0.43058 0.25892
Ar -1.22591 0.99230 -1.47632
Ar -0.22823 0.38544 -1.20898
Ar 1.23590 0.02478 -1.71908
Ar 0.88720 -0.26339 -0.78729
Ar -1.42115 1.62848 -0.69416
Ar -0.34382 1.84109 -0.48313
Ar -0.60828 0.38218 -0.62678
Ar 0.03580 0.84569 -0.63246
Ar 0.33092 0.11252 -2.23617
Ar -0.94517 -1.95971 -0.31164
Ar -0.04804 -1.76235 0.91517
Ar -1.82916 -0.11112 1.39812
Ar -0.16218 -1.12386 -0.31609
Ar 1.24443 -0.60246 -0.97619
Ar -1.19378 -0.05274 1.66298
Ar -0.01358 -1.48315 0.39082
Ar -0.12767 -0.52111 0.75880
Ar 0.58053 -0.35948 -0.69695
Ar 2.16408 -0.49670 -0.12517
Ar -1.66942 1.48255 0.41678
Ar -1.13019 -0.36709 0.94501
Ar 0.14793 -1.65919 -0.81643
Ar -0.63561 -0.39805 1.92308
Ar -0.07386 1.89222 0.10528
Ar -0.20398 2.19370 0.36995
Ar -1.32015 -0.87455 0.46147
Ar 1.15807 -0.26886 -2.00380
Ar 1.25186 -0.32322 -0.79460
Ar 1.23384 1.25152 -0.79858
Ar -0.12805 1.28517 -0.91367
Ar -0.08257 0.18089 0.56618
Ar -0.44098 1.32898 -1.49560
Ar 1.10212 0.79344 -1.01840
Ar 2.02819 -0.79516 -0.63303
Ar -0.77294 -1.25615 1.16582
Ar 0.26393 -0.57350 0.57464
Ar 1.06155 -1.38151 1.29063
Ar 0.74465 -1.06272 0.51439
Ar 0.06581 -0.93275 -0.04573
Ar 0.23410 1.30459 1.41046
Ar -1.52998 -0.18960 1.69380
Ar -0.91451 -1.71820 0.99652
Ar -0.61978 -0.84661 0.64565
Ar 0.69757 -0.63139 1.04978
Ar -0.52378 2.21925 0.47052
Ar -1.26535 -0.05741 1.30417
Ar -0.45331 0.21044 1.39976
Ar 0.87302 1.22006 1.15838
Ar 1.65079 -0.39731 1.52882
Ar -0.74275 0.81690 0.70885
Ar -0.58156 0.39962 1.75536
Ar -0.24675 -0.07328 0.25755
Ar 0.26708 1.82102 0.65266
Ar 1.29208 1.80540 -0.13456
Ar -0.74077 0.26956 0.75784
Ar -0.75035 1.42682 -0.54863
Ar -0.95886 1.08850 -0.87155
Ar -0.58952 -0.82908 -1.04974
Ar 1.88409 0.85288 0.65808
Ar -1.60148 -0.88551 1.24413
Ar -0.85587 -0.55614 0.65109
Ar 0.18733 -0.82096 1.09370
Ar 1.25381 -1.26731 0.59219
Ar 1.97599 -0.61148 0.34225
Ar 0.23001 -0.68388 1.99137
Ar -0.59620 -0.01500 1.08764
Ar 0.09770 -0.23084 2.25919
Ar -0.17351 -0.21308 1.46629
Ar 1.93934 -0.14662 -0.66481
Ar -0.91756 0.13215 1.02144
Ar 0.41293 0.71421 1.55108
Ar 0.63089 0.55897 1.79165
Ar 0.48496 1.09435 1.67863
Ar -0.16805 -1.46706 1.55006
Ar 0.38231 1.63022 1.04279
Ar -0.43857 1.56591 0.64667
Ar 0.72145 -0.27521 1.53225
Ar 1.66853 0.49912 0.85344
Ar 1.14424 1.33314 -0.17602
Ar 0.44041 -0.03943 1.05015
Ar 0.53854 1.29667 0.85460
Ar 1.11286 1.33592 0.92455
Ar 2.23285 0.30058 0.11771
Ar 1.81435 -0.64394 1.07704
125
Energy =     1 kcal/mol
Ar -0.34017 -0.55933 -0.66993
Ar 1.57009 -0.71514 0.83215
Ar 0.54022 -1.11928 -0.85913
Ar 0.48699 2.15001 -0.26477
Ar 0.28213 -1.21812 -1.55848
Ar -1.61864 -0.05535 1.05608
Ar -0.87561 -0.25586 -0.59304
Ar -1.17148 -1.33199 0.76020
Ar -1.04162 0.76146 -0.68172
Ar 0.20831 -1.70392 0.09017
Ar -0.71999 -0.00692 -1.08157
Ar -0.76173 1.41949 -1.44290
Ar -0.29011 0.12744 -0.93105
Ar 0.03591 -1.33512 -0.72856
Ar 0.22740 -1.11838 -1.20398
Ar -1.27594 0.84625 1.06235
Ar -0.76892 1.05107 -1.29640
Ar -0.23714 0.02279 -1.74454
Ar 0.71649 0.74230 -0.54627
Ar -0.13017 -0.49797 -0.97610
Ar -0.05228 0.22299 -2.23138
Ar -0.77511 -0.02979 0.23992
Ar -0.31379 1.65944 -1.45779
Ar -0.62141 1.13459 -1.93193
Ar 1.24408 0.58927 -0.45344
Ar -1.52542 -1.03348 0.79710
Ar -0.46004 -1.35382 -0.15021
Ar -0.88843 -1.96170 0.31322
Ar -0.17231 -2.27028 -0.36691
Ar 0.46536 -1.95918 -0.90566
Ar -1.02803 0.40118 0.31385
Ar -1.45519 1.25535 -0.05918
Ar -0.70946 -1.85578 -0.78378
Ar -0.63656 -1.63714 -0.50528
Ar -0.32298 -1.73212 -0.33565
Ar -2.00097 0.83341 -0.68030
Ar -0.57034 0.52240 -1.97481
Ar -1.27356 -1.74085 0.65816
Ar -0.35885 0.80936 -1.38403
Ar -0.03081 -0.08866 -0.94212
Ar 0.14803 0.41295 0.27120
Ar -1.30042 0.98652 -1.60780
Ar -0.26467 0.40733 -1.28878
Ar 1.30024 0.04682 -1.80870
Ar 0.89056 -0.15620 -0.71386
Ar -1.40733 1.55499 -0.64080
Ar -0.36934 1.72597 -0.58801
Ar -0.60877 0.29030 -0.62379
Ar -0.05360 0.74148 -0.65549
Ar 0.44727 -0.05888 -2.28144
Ar -0.87803 -1.94264 -0.38959
Ar 0.03683 -1.74786 0.93383
Ar -1.72292 -0.05154 1.35738
Ar -0.14537 -1.05266 -0.43633
Ar 1.34277 -0.67892 -1.00376
Ar -1.17526 -0.01926 1.74036
Ar 0.00496 -1.58512 0.39336
Ar -0.06195 -0.43333 0.84623
Ar 0.49944 -0.24119 -0.60875
Ar 2.22888 -0.49602 -0.13530
Ar -1.57627 1.58685 0.36430
Ar -1.12564 -0.38159 0.99468
Ar 0.07354 -1.75378 -0.86065
Ar -0.71192 -0.42149 1.99897
Ar -0.05672 1.79257 0.17666
Ar -0.08473 2.08632 0.40576
Ar -1.39913 -0.92410 0.40264
Ar 1.12731 -0.27913 -1.92779
Ar 1.23815 -0.37053 -0.73320
Ar 1.14113 1.26963 -0.89392
Ar -0.10784 1.17113 -0.93161
Ar -0.12001 0.12363 0.61285
Ar -0.41682 1.31358 -1.48546
Ar 1.06089 0.67920 -1.06386
Ar 2.11632 -0.79435 -0.56312
Ar -0.75436 -1.33934 1.08894
Ar 0.40718 -0.46776 0.56885
Ar 1.24378 -1.34354 1.34856
Ar 0.78612 -0.93357 0.44842
Ar -0.03683 -0.82234 -0.07941
Ar 0.38600 1.40206 1.34667
Ar -1.52219 -0.18282 1.65977
Ar -0.94756 -1.77723 1.00420
Ar -0.56992 -0.82009 0.62798
Ar 0.57316 -0.67425 1.13943
Ar -0.44508 2.16916 0.46674
Ar -1.38018 -0.09184 1.34782
Ar -0.50462 0.32909 1.48784
Ar 0.80751 1.15148 1.12428
Ar 1.64818 -0.42791 1.56165
Ar -0.69430 0.70988 0.62746
Ar -0.58360 0.39813 1.81153
Ar -0.24164 -0.09434 0.25414
Ar 0.17810 1.74289 0.62988
Ar 1.25629 1.89386 -0.11482
Ar -0.65686 0.14013 0.76709
Ar -0.76121 1.40443 -0.45138
Ar -0.99620 1.02420 -0.91152
Ar -0.71670 -0.97649 -1.10461
Ar 1.92005 0.81067 0.68217
Ar -1.60695 -0.82782 1.30312
Ar -0.82006 -0.51471 0.59326
Ar 0.17026 -0.82062 1.08927
Ar 1.19740 -1.24611 0.54684
Ar 1.92006 -0.73116 0.30398
Ar 0.37897 -0.66215 2.06019
Ar -0.54827 0.03196 1.04515
Ar 0.15018 -0.22259 2.28837
Ar -0.15546 -0.19450 1.55613
Ar 1.86308 -0.14057 -0.74083
Ar -0.91426 0.05153 1.05481
Ar 0.41372 0.69592 1.42661
Ar 0.60546 0.55582 1.76700
Ar 0.38371 1.14451 1.65681
Ar -0.30902 -1.52256 1.46298
Ar 0.29330 1.71895 0.99944
Ar -0.55117 1.51683 0.58860
Ar 0.68248 -0.37422 1.45767
Ar 1.68073 0.51665 0.84320
Ar 1.03279 1.43198 -0.09807
Ar 0.45277 -0.17657 0.96751
Ar 0.51874 1.19877 0.87923
Ar 1.10990 1.30420 0.87851
Ar 2.21477 0.32117 0.04019
Ar 1.77748 -0.71470 1.06966
125
Energy =     1 kcal/mol
Ar -0.52333 -0.58726 -0.61073
Ar 1.63061 -0.59832 0.79649
Ar 0.56515 -1.04091 -0.84862
Ar 0.51005 2.21207 -0.04471
Ar 0.25846 -1.13170 -1.55678
Ar -1.50138 -0.05985 1.02837
Ar -0.86635 -0.24763 -0.60705
Ar -1.14944 -1.39145 0.80886
Ar -0.99425 0.81374 -0.55980
Ar 0.22084 -1.57911 0.11891
Ar -0.54007 -0.03727 -1.04095
Ar -0.68843 1.40668 -1.39703
Ar -0.31413 0.20609 -0.85833
Ar 0.00666 -1.28576 -0.61041
Ar 0.19799 -1.11370 -1.17535
Ar -1.28222 0.83983 1.20649
Ar -0.75994 1.09670 -1.26754
Ar -0.19213 0.05427 -1.65074
Ar 0.68079 0.71519 -0.43286
Ar -0.19162 -0.48169 -0.83987
Ar -0.15332 0.20188 -2.22961
Ar -0.79760 0.00838 0.43648
Ar -0.25345 1.69273 -1.40347
Ar -0.62881 1.05112 -1.91058
Ar 1.22244 0.71720 -0.46194
Ar -1.57518 -1.01421 0.77154
Ar -0.47178 -1.32786 -0.27299
Ar -1.08539 -1.92828 0.47637
Ar -0.19490 -2.25705 -0.35186
Ar 0.47145 -1.92123 -0.84645
Ar -0.88453 0.37070 0.31146
Ar -1.37133 1.31607 -0.08778
Ar -0.71513 -1.91887 -0.80793
Ar -0.69821 -1.64603 -0.52454
Ar -0.44890 -1.73363 -0.30156
Ar -1.95023 0.83649 -0.64719
Ar -0.57897 0.52027 -1.99382
Ar -1.32059 -1.81172 0.64995
Ar -0.39100 0.85385 -1.41276
Ar -0.06505 -0.07927 -0.89711
Ar 0.26111 0.39275 0.28570
Ar -1.30802 0.93321 -1.65712
Ar -0.30339 0.43125 -1.36647
Ar 1.35813 0.06487 -1.89349
Ar 0.89718 -0.05195 -0.64061
Ar -1.39283 1.48066 -0.58675
Ar -0.39660 1.60885 -0.69240
Ar -0.60658 0.19539 -0.62614
Ar -0.14384 0.63901 -0.68082
Ar 0.53647 -0.22611 -2.19185
Ar -0.81617 -1.94057 -0.46731
Ar 0.12123 -1.73257 0.95113
Ar -1.74287 0.03245 1.40654
Ar -0.12896 -0.97920 -0.55244
Ar 1.43995 -0.75478 -1.03035
Ar -1.16069 0.01209 1.81143
Ar 0.01906 -1.68837 0.40312
Ar 0.00784 -0.34621 0.93352
Ar 0.41875 -0.12293 -0.52135
Ar 2.25418 -0.48890 -0.14418
Ar -1.48259 1.68985 0.31018
Ar -1.11979 -0.39027 1.04498
Ar 0.01089 -1.88213 -0.90581
Ar -0.78843 -0.44428 2.07425
Ar -0.03966 1.68842 0.24843
Ar 0.05017 1.97859 0.44334
Ar -1.47909 -0.97632 0.35147
Ar 1.09040 -0.28370 -1.83670
Ar 1.22154 -0.41490 -0.67225
Ar 1.04808 1.28648 -0.98919
Ar -0.08874 1.05445 -0.94917
Ar -0.16066 0.06337 0.65380
Ar -0.39201 1.23599 -1.47923
Ar 1.01935 0.56582 -1.10742
Ar 1.97073 -0.70265 -0.42588
Ar -0.73890 -1.42645 1.01003
Ar 0.54913 -0.36171 0.56615
Ar 1.38843 -1.26843 1.36765
Ar 0.82885 -0.80505 0.38348
Ar -0.14161 -0.71544 -0.11840
Ar 0.53951 1.49607 1.28079
Ar -1.53310 -0.18724 1.67345
Ar -0.98266 -1.83000 1.00761
Ar -0.52282 -0.78978 0.61024
Ar 0.44544 -0.71373 1.22990
Ar -0.37484 2.10329 0.46250
Ar -1.36834 -0.13891 1.34907
Ar -0.54721 0.43822 1.53150
Ar 0.75390 1.08460 1.09738
Ar 1.60677 -0.44927 1.55595
Ar -0.64744 0.59960 0.54525
Ar -0.59507 0.40265 1.90873
Ar -0.23675 -0.11148 0.25703
Ar 0.08667 1.66669 0.60580
Ar 1.21337 1.97055 -0.09457
Ar -0.60198 0.04324 0.68890
Ar -0.77105 1.38274 -0.35576
Ar -1.02760 0.97310 -0.96622
Ar -0.84321 -1.12353 -1.15893
Ar 1.95293 0.76449 0.70835
Ar -1.61158 -0.76998 1.35993
Ar -0.78292 -0.47408 0.53794
Ar 0.15514 -0.81601 1.08279
Ar 1.13919 -1.22276 0.50140
Ar 1.86434 -0.85025 0.26531
Ar 0.52705 -0.63846 2.12951
Ar -0.44065 0.04330 1.08807
Ar 0.20061 -0.21232 2.27701
Ar -0.13827 -0.17504 1.64535
Ar 1.78629 -0.13522 -0.81660
Ar -0.94241 -0.02908 1.08983
Ar 0.41698 0.68031 1.30740
Ar 0.57748 0.55508 1.73780
Ar 0.28318 1.19412 1.62859
Ar -0.45073 -1.57780 1.37449
Ar 0.20478 1.80351 0.95502
Ar -0.66304 1.46851 0.53012
Ar 0.64193 -0.47508 1.37923
Ar 1.69595 0.53812 0.83079
Ar 0.92263 1.53359 -0.02040
Ar 0.46353 -0.31841 0.88581
Ar 0.48758 1.10515 0.89831
Ar 1.10193 1.27039 0.83537
Ar 2.19659 0.34166 -0.03729
Ar 1.81816 -0.79423 1.16003
125
Energy =     1 kcal/mol
Ar -0.70288 -0.61129 -0.55423
Ar 1.67757 -0.47931 0.74276
Ar 0.58626 -0.96328 -0.84047
Ar 0.52902 2.25641 0.17487
Ar 0.23447 -1.04541 -1.55254
Ar -1.38487 -0.06302 0.97515
Ar -0.85095 -0.23917 -0.62227
Ar -1.12443 -1.45771 0.85887
Ar -0.94680 0.86753 -0.44093
Ar 0.24036 -1.45367 0.13674
Ar -0.35756 -0.06546 -0.99447
Ar -0.62930 1.43809 -1.35895
Ar -0.36342 0.30279 -0.79486
Ar -0.01150 -1.26424 -0.49744
Ar 0.17112 -1.10853 -1.14494
Ar -1.28834 0.83310 1.35058
Ar -0.75368 1.10708 -1.22543
Ar -0.14858 0.08985 -1.55515
Ar 0.64723 0.68785 -0.31983
Ar -0.25607 -0.46060 -0.70086
Ar -0.25543 0.18126 -2.22591
Ar -0.90389 0.04219 0.55002
Ar -0.19711 1.71978 -1.34932
Ar -0.62311 0.94605 -1.84941
Ar 1.19842 0.84509 -0.47087
Ar -1.62176 -0.99524 0.74023
Ar -0.48323 -1.31089 -0.40104
Ar -1.10533 -1.97790 0.51933
Ar -0.20871 -2.11933 -0.31784
Ar 0.47235 -1.88238 -0.78767
Ar -0.75837 0.31514 0.29063
Ar -1.28723 1.37876 -0.11836
Ar -0.71405 -1.97736 -0.84991
Ar -0.77288 -1.55446 -0.60133
Ar -0.52270 -1.74886 -0.22913
Ar -1.89928 0.83969 -0.61404
Ar -0.58621 0.51976 -2.01175
Ar -1.41467 -1.61954 0.70744
Ar -0.43227 0.86172 -1.43393
Ar -0.07691 -0.10070 -0.85279
Ar 0.37336 0.37171 0.30071
Ar -1.23009 0.81860 -1.59987
Ar -0.34294 0.45713 -1.44463
Ar 1.31225 0.07305 -1.83815
Ar 0.90303 0.04889 -0.56678
Ar -1.37729 1.40494 -0.52970
Ar -0.42515 1.49018 -0.79653
Ar -0.61160 0.09233 -0.62735
Ar -0.22928 0.54829 -0.70518
Ar 0.62218 -0.39234 -2.08330
Ar -0.79482 -2.02015 -0.50459
Ar 0.20497 -1.71690 0.96670
Ar -1.80383 0.12603 1.46366
Ar -0.12680 -0.87507 -0.66122
Ar 1.53622 -0.82858 -1.05495
Ar -1.15182 0.03968 1.87771
Ar 0.02594 -1.79217 0.42511
Ar 0.08240 -0.25937 1.01960
Ar 0.34081 -0.00406 -0.43562
Ar 2.19269 -0.46659 -0.15096
Ar -1.38838 1.79148 0.25462
Ar -1.11958 -0.39679 1.09683
Ar -0.04753 -2.01008 -0.94938
Ar -0.85296 -0.45959 2.11776
Ar -0.03158 1.57637 0.28542
Ar 0.18341 1.90071 0.48086
Ar -1.56014 -1.02944 0.30743
Ar 1.05657 -0.28326 -1.74648
Ar 1.20350 -0.45766 -0.61291
Ar 0.95497 1.30280 -1.08429
Ar -0.07191 0.93470 -0.96656
Ar -0.18657 0.00123 0.69286
Ar -0.34152 1.18098 -1.48224
Ar 0.97779 0.45267 -1.15016
Ar 1.82734 -0.60764 -0.28484
Ar -0.72900 -1.51887 0.93173
Ar 0.70350 -0.25997 0.52410
Ar 1.43371 -1.09799 1.28602
Ar 0.87189 -0.67661 0.32004
Ar -0.24716 -0.61025 -0.16124
Ar 0.69230 1.58508 1.21282
Ar -1.54574 -0.19493 1.71249
Ar -0.98880 -1.81892 0.97449
Ar -0.47986 -0.75382 0.59150
Ar 0.32928 -0.76717 1.33000
Ar -0.29746 2.03363 0.45769
Ar -1.28004 -0.19435 1.32680
Ar -0.58729 0.54462 1.56191
Ar 0.74831 1.01703 1.10569
Ar 1.56272 -0.47099 1.54574
Ar -0.58105 0.50663 0.48402
Ar -0.60932 0.40801 2.01776
Ar -0.23289 -0.12568 0.26768
Ar 0.00060 1.57278 0.62317
Ar 1.12472 1.97381 -0.07042
Ar -0.48395 -0.04878 0.68721
Ar -0.78098 1.36104 -0.26163
Ar -1.05372 0.92376 -1.02303
Ar -0.96942 -1.27060 -1.21286
Ar 1.99657 0.72650 0.73004
Ar -1.61543 -0.71087 1.41590
Ar -0.74136 -0.43284 0.48479
Ar 0.09884 -0.82125 1.04871
Ar 1.07964 -1.19731 0.45553
Ar 1.80857 -0.96864 0.22666
Ar 0.65718 -0.59584 2.13879
Ar -0.33201 0.05124 1.13523
Ar 0.25021 -0.20131 2.24201
Ar -0.12134 -0.15524 1.73405
Ar 1.70878 -0.13068 -0.89200
Ar -0.96854 -0.10716 1.12377
Ar 0.42294 0.66682 1.19135
Ar 0.54760 0.55603 1.70403
Ar 0.18449 1.24426 1.59709
Ar -0.59505 -1.63191 1.28204
Ar 0.11570 1.88521 0.90575
Ar -0.77429 1.42066 0.47132
Ar 0.62910 -0.54508 1.31292
Ar 1.70032 0.55138 0.82276
Ar 0.81393 1.63766 0.05689
Ar 0.45677 -0.46113 0.84812
Ar 0.40941 1.01655 0.88405
Ar 1.08929 1.23445 0.79525
Ar 2.17833 0.36203 -0.11473
Ar 1.77402 -0.83216 1.20567
125
Energy =     1 kcal/mol
Ar -0.87914 -0.62839 -0.49965
Ar 1.72476 -0.36146 0.69004
Ar 0.60488 -0.88630 -0.83365
Ar 0.51767 2.17229 0.38569
Ar 0.20955 -0.96003 -1.54161
Ar -1.25910 -0.07163 0.92700
Ar -0.83920 -0.24478 -0.63749
Ar -1.10064 -1.50409 0.90747
Ar -0.89915 0.92424 -0.32301
Ar 0.25783 -1.33052 0.15654
Ar -0.29982 -0.07207 -1.00904
Ar -0.56178 1.47393 -1.32408
Ar -0.48736 0.23248 -0.81063
Ar -0.03324 -1.24313 -0.38549
Ar 0.14647 -1.10137 -1.11809
Ar -1.29427 0.82603 1.49472
Ar -0.74614 1.10468 -1.18190
Ar -0.10869 0.13114 -1.45705
Ar 0.61476 0.66019 -0.20710
Ar -0.32108 -0.43785 -0.56172
Ar -0.35939 0.16269 -2.22022
Ar -1.02622 0.07496 0.64498
Ar -0.14426 1.74282 -1.29496
Ar -0.61388 0.83611 -1.78233
Ar 1.17299 0.97259 -0.47975
Ar -1.66651 -0.97786 0.70286
Ar -0.49499 -1.30111 -0.53190
Ar -1.02616 -1.93905 0.51260
Ar -0.22598 -1.97808 -0.28404
Ar 0.47104 -1.84363 -0.72932
Ar -0.69658 0.18832 0.20578
Ar -1.20107 1.44256 -0.15349
Ar -0.70296 -2.01821 -0.90513
Ar -0.83992 -1.46476 -0.67453
Ar -0.59815 -1.76368 -0.16491
Ar -1.84801 0.84308 -0.58086
Ar -0.59142 0.52245 -2.02712
Ar -1.53658 -1.39196 0.78657
Ar -0.49550 0.79165 -1.44261
Ar 0.02804 -0.14079 -0.73572
Ar 0.48542 0.35027 0.31571
Ar -1.15042 0.70459 -1.54129
Ar -0.38044 0.48033 -1.52469
Ar 1.24020 0.07506 -1.75004
Ar 0.90807 0.14884 -0.49286
Ar -1.35979 1.32806 -0.46753
Ar -0.45465 1.37033 -0.90312
Ar -0.62036 -0.01726 -0.61976
Ar -0.22050 0.63172 -0.66978
Ar 0.70928 -0.55809 -1.97353
Ar -0.77543 -2.09796 -0.51783
Ar 0.28808 -1.70122 0.98075
Ar -1.74674 0.20694 1.43033
Ar -0.12770 -0.76521 -0.76770
Ar 1.63219 -0.90164 -1.07892
Ar -1.14591 0.06433 1.94128
Ar 0.03483 -1.89329 0.44602
Ar 0.15738 -0.17312 1.10204
Ar 0.26313 0.11485 -0.35121
Ar 2.12422 -0.44653 -0.15978
Ar -1.29355 1.89159 0.19785
Ar -1.13350 -0.49195 1.10669
Ar -0.10418 -2.12235 -0.98452
Ar -0.86019 -0.44269 2.01635
Ar -0.03249 1.47037 0.26262
Ar 0.31056 1.82739 0.51872
Ar -1.64186 -1.08239 0.27035
Ar 1.02491 -0.27823 -1.65853
Ar 1.18559 -0.49937 -0.55398
Ar 0.86186 1.31888 -1.17923
Ar -0.05858 0.81163 -0.98301
Ar -0.04159 -0.03727 0.73557
Ar -0.28219 1.20821 -1.49492
Ar 0.93623 0.33936 -1.19248
Ar 1.68958 -0.51055 -0.14130
Ar -0.71883 -1.60649 0.84774
Ar 0.85957 -0.16244 0.47632
Ar 1.41157 -0.97410 1.21504
Ar 0.91403 -0.54603 0.25895
Ar -0.35340 -0.50478 -0.20820
Ar 0.84474 1.67179 1.14385
Ar -1.50020 -0.19173 1.68531
Ar -0.97780 -1.80484 0.92796
Ar -0.44082 -0.71168 0.57120
Ar 0.21745 -0.82732 1.43943
Ar -0.21397 1.95970 0.45378
Ar -1.22633 -0.21928 1.34999
Ar -0.62772 0.64919 1.59645
Ar 0.74183 0.94896 1.11369
Ar 1.51944 -0.49486 1.53350
Ar -0.45103 0.47771 0.49145
Ar -0.62367 0.41406 2.12194
Ar -0.23144 -0.13810 0.28725
Ar -0.07383 1.47738 0.70951
Ar 1.02832 1.96699 -0.04443
Ar -0.51855 -0.16856 0.69946
Ar -0.79471 1.33770 -0.16812
Ar -1.07443 0.87714 -1.08273
Ar -1.09535 -1.41788 -1.26621
Ar 2.05614 0.69889 0.74614
Ar -1.61799 -0.64944 1.47164
Ar -0.69375 -0.38968 0.43575
Ar 0.02429 -0.82914 0.99774
Ar 1.01958 -1.17030 0.40933
Ar 1.75268 -1.08612 0.18755
Ar 0.75160 -0.51845 2.02966
Ar -0.22185 0.05618 1.17387
Ar 0.30035 -0.19130 2.20586
Ar -0.10411 -0.13527 1.82258
Ar 1.63066 -0.12680 -0.96701
Ar -0.95753 -0.12040 1.15328
Ar 0.43220 0.65932 1.07429
Ar 0.51697 0.55775 1.66765
Ar 0.08647 1.29413 1.56477
Ar -0.74274 -1.68723 1.18974
Ar 0.02575 1.96229 0.84529
Ar -0.88535 1.37308 0.41185
Ar 0.62957 -0.60003 1.24787
Ar 1.68865 0.55425 0.82025
Ar 0.70789 1.74558 0.13323
Ar 0.44425 -0.60363 0.82141
Ar 0.33125 0.92581 0.87225
Ar 1.07365 1.19721 0.75747
Ar 2.16000 0.38226 -0.19213
Ar 1.69403 -0.77321 1.17303
125
Energy =     1 kcal/mol
Ar -1.05210 -0.63875 -0.44710
Ar 1.77174 -0.24429 0.63787
Ar 0.62203 -0.80967 -0.82750
Ar 0.50397 2.07574 0.59481
Ar 0.18395 -0.87631 -1.52481
Ar -1.15984 -0.12773 0.93481
Ar -0.89946 -0.33462 -0.65632
Ar -1.10677 -1.47005 0.94607
Ar -0.85130 0.98656 -0.20382
Ar 0.27456 -1.20780 0.17592
Ar -0.27308 -0.06926 -1.03412
Ar -0.48791 1.50022 -1.28562
Ar -0.59364 0.18388 -0.85967
Ar -0.05873 -1.22161 -0.27468
Ar 0.12282 -1.09074 -1.09465
Ar -1.29983 0.81848 1.63890
Ar -0.73691 1.10081 -1.14214
Ar -0.07384 0.17638 -1.35696
Ar 0.58239 0.63112 -0.09412
Ar -0.36799 -0.40095 -0.52735
Ar -0.46579 0.14830 -2.21190
Ar -1.11801 0.14745 0.68835
Ar -0.09549 1.76180 -1.24071
Ar -0.61224 0.72273 -1.74911
Ar 1.14704 1.09981 -0.48854
Ar -1.71349 -0.95170 0.65146
Ar -0.50853 -1.29444 -0.66350
Ar -0.94105 -1.88839 0.51150
Ar -0.24926 -1.83364 -0.24950
Ar 0.46896 -1.80490 -0.67108
Ar -0.63312 0.05940 0.12549
Ar -1.10866 1.50632 -0.18598
Ar -0.65881 -1.96484 -0.91344
Ar -0.90067 -1.37467 -0.74540
Ar -0.66972 -1.78166 -0.10609
Ar -1.79625 0.84683 -0.54762
Ar -0.59349 0.52455 -2.03961
Ar -1.65140 -1.17555 0.87405
Ar -0.56389 0.75963 -1.40237
Ar 0.15608 -0.18580 -0.59932
Ar 0.59768 0.32869 0.33009
Ar -1.06770 0.59280 -1.47923
Ar -0.40404 0.46867 -1.61722
Ar 1.16436 0.07153 -1.65989
Ar 0.91233 0.24896 -0.41878
Ar -1.34206 1.24950 -0.40660
Ar -0.48475 1.25028 -1.01618
Ar -0.56727 -0.08706 -0.58063
Ar -0.20659 0.72370 -0.63538
Ar 0.79780 -0.72252 -1.86204
Ar -0.73457 -2.11991 -0.52022
Ar 0.37072 -1.68563 0.99389
Ar -1.66178 0.28325 1.37723
Ar -0.13051 -0.65180 -0.87111
Ar 1.72801 -0.97436 -1.10268
Ar -1.14124 0.08624 2.00233
Ar 0.04414 -1.99343 0.46717
Ar 0.22612 -0.08453 1.17935
Ar 0.18484 0.23289 -0.26871
Ar 2.04950 -0.42744 -0.16842
Ar -1.18409 1.96837 0.13817
Ar -1.14267 -0.60797 1.09581
Ar -0.15170 -2.03462 -0.92637
Ar -0.86553 -0.42286 1.90747
Ar -0.03310 1.36781 0.24551
Ar 0.43124 1.74984 0.55737
Ar -1.72365 -1.13432 0.24033
Ar 0.99514 -0.26868 -1.57329
Ar 1.16809 -0.54069 -0.49490
Ar 0.76872 1.33484 -1.27405
Ar -0.04860 0.68640 -0.99758
Ar 0.10619 -0.07725 0.78391
Ar -0.23147 1.23627 -1.50253
Ar 0.89499 0.22552 -1.23502
Ar 1.55725 -0.41288 0.00215
Ar -0.67944 -1.66144 0.73528
Ar 1.01538 -0.07024 0.42583
Ar 1.25112 -0.95068 1.16939
Ar 0.95559 -0.41072 0.20122
Ar -0.47790 -0.41060 -0.15715
Ar 0.99705 1.75760 1.07423
Ar -1.44845 -0.18762 1.65064
Ar -0.98590 -1.91634 0.86649
Ar -0.40543 -0.66168 0.54957
Ar 0.10680 -0.88520 1.54328
Ar -0.12482 1.88200 0.45373
Ar -1.21278 -0.23313 1.40893
Ar -0.66853 0.75288 1.63244
Ar 0.72770 0.87747 1.11748
Ar 1.47734 -0.52193 1.51747
Ar -0.32207 0.44566 0.49781
Ar -0.63310 0.41667 2.20546
Ar -0.23452 -0.15053 0.31321
Ar -0.14562 1.38775 0.79165
Ar 0.92653 1.95684 -0.01532
Ar -0.55374 -0.28641 0.71613
Ar -0.81519 1.31123 -0.07477
Ar -1.08932 0.83281 -1.14767
Ar -1.20849 -1.54944 -1.30523
Ar 2.07511 0.65791 0.74943
Ar -1.61805 -0.58389 1.52763
Ar -0.64283 -0.35042 0.38135
Ar -0.04586 -0.83441 0.94908
Ar 0.95939 -1.14245 0.36297
Ar 1.69654 -1.20289 0.14821
Ar 0.84463 -0.44008 1.91988
Ar -0.10638 0.05695 1.20666
Ar 0.35014 -0.18186 2.16789
Ar -0.08561 -0.11537 1.91163
Ar 1.55208 -0.12325 -1.04183
Ar -0.91398 -0.11724 1.16591
Ar 0.46563 0.62032 0.98378
Ar 0.48612 0.55984 1.62970
Ar -0.01135 1.34375 1.53204
Ar -0.87497 -1.72935 1.14035
Ar -0.06356 2.03477 0.77563
Ar -0.99636 1.32579 0.34987
Ar 0.62422 -0.65650 1.17882
Ar 1.68045 0.55825 0.81711
Ar 0.60408 1.85892 0.21040
Ar 0.43039 -0.74586 0.80114
Ar 0.23761 0.87128 0.83783
Ar 1.05615 1.15932 0.72149
Ar 2.14159 0.40232 -0.26949
Ar 1.75086 -0.60986 1.11787
125
Energy =     1 kcal/mol
Ar -1.22151 -0.64416 -0.39761
Ar 1.81825 -0.12780 0.58611
Ar 0.63842 -0.73307 -0.82155
Ar 0.49957 2.01505 0.80310
Ar 0.15802 -0.79428 -1.50380
Ar -1.12322 -0.24348 0.97886
Ar -0.96258 -0.43282 -0.67142
Ar -1.10853 -1.44020 0.98331
Ar -0.80699 1.00412 -0.10412
Ar 0.29044 -1.08507 0.19421
Ar -0.24847 -0.06122 -1.05665
Ar -0.40748 1.52461 -1.25172
Ar -0.69221 0.13836 -0.91644
Ar -0.08463 -1.20085 -0.16349
Ar 0.09933 -1.07636 -1.07370
Ar -1.29400 0.80364 1.76862
Ar -0.82005 1.04152 -1.14665
Ar -0.04421 0.22179 -1.25321
Ar 0.54997 0.59871 0.02018
Ar -0.36564 -0.41096 -0.57148
Ar -0.57406 0.14013 -2.20019
Ar -1.17986 0.27120 0.67031
Ar -0.05144 1.77644 -1.18723
Ar -0.65554 0.65779 -1.74806
Ar 1.12089 1.22690 -0.49729
Ar -1.77812 -0.86532 0.54176
Ar -0.52712 -1.28939 -0.79547
Ar -0.85859 -1.83456 0.45209
Ar -0.27863 -1.68780 -0.21401
Ar 0.46632 -1.76611 -0.61288
Ar -0.56432 -0.06325 0.05404
Ar -1.02015 1.56825 -0.21922
Ar -0.60942 -1.90415 -0.91075
Ar -0.95499 -1.28424 -0.81556
Ar -0.73600 -1.80162 -0.05086
Ar -1.74364 0.85122 -0.51416
Ar -0.58947 0.50536 -2.07449
Ar -1.74711 -1.02217 1.01401
Ar -0.62956 0.73996 -1.31152
Ar 0.28102 -0.23015 -0.46240
Ar 0.71035 0.30786 0.34245
Ar -0.97978 0.48575 -1.41348
Ar -0.39394 0.41497 -1.69997
Ar 1.08609 0.06744 -1.56660
Ar 0.91560 0.34959 -0.34393
Ar -1.32049 1.17284 -0.34288
Ar -0.42180 1.17537 -1.08991
Ar -0.54465 -0.10630 -0.53744
Ar -0.19163 0.81441 -0.60534
Ar 0.88668 -0.88570 -1.74945
Ar -0.66826 -2.07257 -0.51114
Ar 0.45310 -1.67003 1.00658
Ar -1.57536 0.35808 1.32490
Ar -0.13452 -0.53587 -0.97182
Ar 1.77873 -1.02127 -1.09823
Ar -1.10565 0.10351 2.00597
Ar 0.05343 -2.09310 0.48848
Ar 0.32176 -0.00557 1.24926
Ar 0.10709 0.35006 -0.18730
Ar 1.97167 -0.40827 -0.17613
Ar -1.05903 2.01916 0.07554
Ar -1.15211 -0.71497 1.08712
Ar -0.20111 -1.91535 -0.85322
Ar -0.87252 -0.40118 1.79746
Ar -0.03396 1.26734 0.23164
Ar 0.54185 1.63530 0.58812
Ar -1.80514 -1.18375 0.21667
Ar 0.96542 -0.25792 -1.48820
Ar 1.15067 -0.58174 -0.43532
Ar 0.67549 1.35074 -1.36879
Ar -0.04166 0.56088 -1.00979
Ar 0.25280 -0.11676 0.84078
Ar -0.18754 1.26738 -1.50348
Ar 0.85582 0.10949 -1.28065
Ar 1.42605 -0.31505 0.14518
Ar -0.63038 -1.70671 0.63920
Ar 1.16951 0.01706 0.37126
Ar 1.09189 -0.92506 1.12414
Ar 0.99931 -0.27009 0.14674
Ar -0.61899 -0.33386 -0.03406
Ar 1.11223 1.78138 0.96842
Ar -1.43670 -0.17775 1.65317
Ar -0.96618 -1.93895 0.75766
Ar -0.37392 -0.60132 0.52747
Ar -0.00354 -0.94245 1.64541
Ar -0.03373 1.79802 0.44823
Ar -1.15762 -0.25807 1.42223
Ar -0.71006 0.85616 1.66897
Ar 0.70987 0.80402 1.11889
Ar 1.43652 -0.55065 1.49769
Ar -0.19327 0.41164 0.50354
Ar -0.59807 0.38934 2.13091
Ar -0.24747 -0.16501 0.34099
Ar -0.21600 1.29942 0.87112
Ar 0.81919 1.94500 0.01786
Ar -0.57957 -0.40009 0.75026
Ar -0.83441 1.33019 0.04278
Ar -1.09676 0.78946 -1.21756
Ar -1.16240 -1.47758 -1.17249
Ar 2.04095 0.59995 0.73659
Ar -1.59995 -0.50707 1.57105
Ar -0.58989 -0.31698 0.30510
Ar -0.11350 -0.83794 0.89923
Ar 0.89888 -1.11417 0.31659
Ar 1.64015 -1.31933 0.10887
Ar 0.93689 -0.36133 1.81010
Ar -0.01804 0.06578 1.23659
Ar 0.39791 -0.17242 2.12774
Ar -0.06439 -0.09578 2.00171
Ar 1.47285 -0.11977 -1.11687
Ar -0.83915 -0.11444 1.20996
Ar 0.51625 0.55943 0.91045
Ar 0.45530 0.56213 1.59025
Ar -0.10915 1.39319 1.49888
Ar -0.98421 -1.74465 1.12657
Ar -0.15026 2.10904 0.71055
Ar -1.10548 1.27883 0.28146
Ar 0.61530 -0.71447 1.10425
Ar 1.67792 0.56367 0.81288
Ar 0.50165 1.97460 0.29329
Ar 0.41626 -0.88697 0.78753
Ar 0.13025 0.84088 0.78825
Ar 1.03754 1.12102 0.68665
Ar 2.12311 0.42224 -0.34679
Ar 1.80417 -0.44598 1.06498
125
Energy =     1 kcal/mol
Ar -1.38662 -0.64628 -0.35205
Ar 1.86365 -0.01191 0.53492
Ar 0.65453 -0.65619 -0.81543
Ar 0.49556 1.95326 1.00655
Ar 0.13169 -0.71352 -1.47954
Ar -1.09253 -0.36304 1.02336
Ar -1.02566 -0.53234 -0.68159
Ar -1.11405 -1.39808 1.01323
Ar -0.76492 0.98373 -0.02115
Ar 0.30550 -0.96268 0.21187
Ar -0.22410 -0.05212 -1.07811
Ar -0.31890 1.54608 -1.22097
Ar -0.78611 0.08910 -0.97103
Ar -0.11017 -1.18224 -0.05128
Ar 0.07571 -1.05910 -1.05458
Ar -1.18829 0.72718 1.76322
Ar -0.91490 0.98121 -1.15575
Ar -0.01589 0.21513 -1.18338
Ar 0.51869 0.56141 0.13653
Ar -0.31920 -0.49247 -0.61868
Ar -0.68273 0.13325 -2.18659
Ar -1.24135 0.39306 0.65376
Ar -0.01295 1.78609 -1.13519
Ar -0.73188 0.63113 -1.73348
Ar 1.09464 1.35392 -0.50597
Ar -1.84307 -0.78226 0.42904
Ar -0.55213 -1.28553 -0.92765
Ar -0.82677 -1.80190 0.27881
Ar -0.31095 -1.54052 -0.17799
Ar 0.46314 -1.72721 -0.55472
Ar -0.45269 0.01930 0.04711
Ar -0.93216 1.62561 -0.24797
Ar -0.56061 -1.84517 -0.90229
Ar -0.98557 -1.16823 -0.85909
Ar -0.79701 -1.82255 -0.01016
Ar -1.68938 0.85675 -0.48008
Ar -0.57994 0.47588 -2.11970
Ar -1.83060 -0.86345 1.14618
Ar -0.70069 0.71601 -1.22645
Ar 0.40503 -0.27433 -0.32568
Ar 0.82281 0.28886 0.35151
Ar -0.88434 0.38537 -1.34747
Ar -0.35900 0.33337 -1.77519
Ar 1.04955 0.08308 -1.51280
Ar 0.91765 0.45056 -0.26753
Ar -1.29631 1.09761 -0.27712
Ar -0.33805 1.10992 -1.16035
Ar -0.56789 -0.05364 -0.49676
Ar -0.17580 0.90339 -0.57898
Ar 0.97545 -1.04828 -1.63645
Ar -0.59969 -2.02023 -0.50660
Ar 0.53534 -1.65420 1.01903
Ar -1.48802 0.43207 1.27314
Ar -0.14078 -0.41586 -1.06961
Ar 1.69954 -0.99378 -1.01307
Ar -1.05165 0.11780 1.97529
Ar 0.06255 -2.19243 0.50984
Ar 0.45874 0.06087 1.31292
Ar 0.03074 0.46755 -0.10536
Ar 1.89285 -0.38888 -0.18332
Ar -0.93367 2.06734 0.01167
Ar -1.16153 -0.81586 1.07879
Ar -0.25208 -1.79514 -0.77792
Ar -0.88304 -0.37659 1.68385
Ar -0.03486 1.16818 0.21935
Ar 0.65091 1.52444 0.61653
Ar -1.88619 -1.22929 0.19729
Ar 0.93259 -0.26934 -1.40017
Ar 1.13287 -0.62242 -0.37531
Ar 0.58204 1.36665 -1.46345
Ar -0.03957 0.48579 -0.98322
Ar 0.39863 -0.15355 0.90606
Ar -0.14972 1.30188 -1.49562
Ar 0.77950 -0.00509 -1.28833
Ar 1.29944 -0.22430 0.29091
Ar -0.51638 -1.71164 0.60251
Ar 1.31984 0.10666 0.31368
Ar 0.93004 -0.89756 1.07898
Ar 1.04152 -0.12308 0.09219
Ar -0.80399 -0.46209 -0.01762
Ar 1.16546 1.70442 0.80540
Ar -1.43544 -0.14653 1.67879
Ar -0.93962 -1.92613 0.70193
Ar -0.33897 -0.53672 0.49728
Ar -0.11382 -0.99946 1.74710
Ar 0.05869 1.71484 0.44373
Ar -1.07701 -0.28872 1.41013
Ar -0.75288 0.95878 1.70605
Ar 0.69188 0.73120 1.12109
Ar 1.39536 -0.57929 1.47658
Ar -0.06378 0.37697 0.50930
Ar -0.55955 0.35854 2.03959
Ar -0.24994 -0.17396 0.37142
Ar -0.28492 1.21059 0.95001
Ar 0.70652 1.93333 0.05592
Ar -0.61005 -0.50864 0.78528
Ar -0.84962 1.39329 0.17079
Ar -1.10585 0.73543 -1.29336
Ar -1.10844 -1.40097 -1.04022
Ar 2.01294 0.54170 0.72218
Ar -1.57501 -0.44054 1.59816
Ar -0.54303 -0.29776 0.27508
Ar -0.18076 -0.83933 0.84654
Ar 0.83727 -1.08551 0.27034
Ar 1.58357 -1.43562 0.06957
Ar 1.02930 -0.28280 1.69986
Ar 0.02973 0.08517 1.26387
Ar 0.44215 -0.16246 2.08598
Ar -0.03935 -0.07666 2.09248
Ar 1.39166 -0.11607 -1.19314
Ar -0.76337 -0.11451 1.26259
Ar 0.56296 0.49913 0.83523
Ar 0.42482 0.56422 1.54868
Ar -0.20712 1.44231 1.46484
Ar -1.06264 -1.73435 1.08506
Ar -0.23473 2.18062 0.64418
Ar -1.21953 1.22999 0.21321
Ar 0.60547 -0.77611 1.02458
Ar 1.66896 0.56878 0.80995
Ar 0.40275 2.08624 0.37893
Ar 0.40340 -1.02525 0.77879
Ar 0.02513 0.80838 0.73943
Ar 1.01803 1.08265 0.65252
Ar 2.10454 0.44202 -0.42404
Ar 1.85626 -0.28143 1.01198
125
Energy =     1 kcal/mol
Ar -1.54858 -0.64741 -0.30872
Ar 1.90737 0.10476 0.48546
Ar 0.67067 -0.57877 -0.80898
Ar 0.49174 1.89013 1.20782
Ar 0.10445 -0.63296 -1.45221
Ar -1.05814 -0.48865 1.06837
Ar -1.08994 -0.63345 -0.68927
Ar -1.12421 -1.32376 1.03646
Ar -0.72583 0.96903 0.06392
Ar 0.32087 -0.84165 0.23008
Ar -0.24169 -0.02811 -1.07857
Ar -0.22551 1.55971 -1.19259
Ar -0.87784 0.04154 -1.02702
Ar -0.13646 -1.16703 0.06063
Ar 0.05173 -1.04000 -1.03668
Ar -1.06843 0.64446 1.74164
Ar -0.99866 0.97067 -1.14444
Ar 0.04772 0.12329 -1.21136
Ar 0.48967 0.52013 0.25452
Ar -0.27316 -0.57027 -0.66910
Ar -0.78892 0.11918 -2.16292
Ar -1.30285 0.51476 0.63788
Ar 0.02261 1.79263 -1.08435
Ar -0.80510 0.59830 -1.71604
Ar 1.06830 1.48092 -0.51458
Ar -1.90813 -0.70232 0.31512
Ar -0.58267 -1.28298 -1.05864
Ar -0.81739 -1.75560 0.32948
Ar -0.34262 -1.39035 -0.14101
Ar 0.45953 -1.68818 -0.49657
Ar -0.33676 0.10391 0.04601
Ar -0.84381 1.68203 -0.27095
Ar -0.55558 -1.79450 -0.90613
Ar -0.94588 -0.94575 -0.80231
Ar -0.83250 -1.85836 -0.18896
Ar -1.63213 0.86400 -0.44447
Ar -0.56696 0.45381 -2.15258
Ar -1.80324 -0.65254 1.20945
Ar -0.76311 0.66820 -1.15228
Ar 0.52922 -0.31872 -0.18920
Ar 0.93501 0.27033 0.35689
Ar -0.78672 0.29458 -1.27958
Ar -0.33226 0.25628 -1.85550
Ar 1.05676 0.10643 -1.49711
Ar 0.91867 0.55101 -0.18897
Ar -1.27270 1.02238 -0.20871
Ar -0.25400 1.05068 -1.23648
Ar -0.59017 -0.00349 -0.45729
Ar -0.15989 0.99127 -0.55392
Ar 1.06414 -1.21061 -1.52328
Ar -0.52846 -1.96169 -0.50801
Ar 0.61743 -1.63770 1.03117
Ar -1.39983 0.50572 1.22168
Ar -0.13645 -0.33983 -1.17023
Ar 1.61781 -0.96480 -0.92640
Ar -0.99709 0.13131 1.94218
Ar 0.07081 -2.27064 0.52640
Ar 0.59054 0.12733 1.37166
Ar -0.04455 0.58521 -0.02183
Ar 1.81358 -0.36930 -0.19025
Ar -0.80822 2.11216 -0.05370
Ar -1.16999 -0.91185 1.07025
Ar -0.26319 -1.66765 -0.68146
Ar -0.84701 -0.36873 1.63692
Ar -0.03569 1.06918 0.20824
Ar 0.76118 1.41496 0.64540
Ar -1.94891 -1.26010 0.17796
Ar 0.93373 -0.34093 -1.33460
Ar 1.11449 -0.66264 -0.31518
Ar 0.48802 1.38257 -1.55798
Ar -0.04539 0.52460 -0.87271
Ar 0.54416 -0.18719 0.97699
Ar -0.11692 1.33744 -1.47806
Ar 0.63065 -0.06841 -1.23153
Ar 1.20161 -0.18552 0.44683
Ar -0.40825 -1.71859 0.56481
Ar 1.46372 0.23741 0.25964
Ar 0.85399 -0.89829 1.05510
Ar 1.05906 0.03831 0.02571
Ar -0.99114 -0.59686 -0.01180
Ar 1.21650 1.62612 0.64161
Ar -1.40373 -0.06582 1.71571
Ar -0.90976 -1.90626 0.64621
Ar -0.30530 -0.47556 0.46906
Ar -0.22410 -1.05633 1.84862
Ar 0.15293 1.63381 0.43962
Ar -1.04639 -0.29502 1.33267
Ar -0.79847 1.05928 1.74351
Ar 0.67151 0.65556 1.12226
Ar 1.35209 -0.60622 1.45602
Ar 0.06648 0.34428 0.51540
Ar -0.52284 0.32678 1.94763
Ar -0.19789 -0.15354 0.41461
Ar -0.35230 1.12105 1.02917
Ar 0.59028 1.92277 0.09801
Ar -0.63943 -0.61546 0.81875
Ar -0.86574 1.45355 0.29142
Ar -1.12884 0.64568 -1.38538
Ar -1.11785 -1.43090 -1.00809
Ar 2.00195 0.48085 0.70280
Ar -1.57163 -0.42381 1.61019
Ar -0.55055 -0.30318 0.23894
Ar -0.25014 -0.83677 0.79039
Ar 0.77328 -1.05608 0.22439
Ar 1.52685 -1.55179 0.03027
Ar 1.12308 -0.20590 1.58834
Ar 0.08343 0.10412 1.29055
Ar 0.48264 -0.15175 2.04371
Ar -0.01067 -0.05792 2.18292
Ar 1.30465 -0.11178 -1.27273
Ar -0.69445 -0.12066 1.31642
Ar 0.60964 0.43997 0.76132
Ar 0.39562 0.56478 1.50355
Ar -0.30539 1.49055 1.42931
Ar -1.10174 -1.70339 1.00944
Ar -0.31398 2.22036 0.56865
Ar -1.33165 1.18051 0.14174
Ar 0.50592 -0.81269 0.91930
Ar 1.64235 0.57427 0.81096
Ar 0.30529 2.19324 0.46294
Ar 0.39346 -1.15941 0.77281
Ar -0.08036 0.77398 0.68924
Ar 0.99701 1.04570 0.61883
Ar 2.08590 0.46171 -0.50121
Ar 1.90797 -0.11577 0.95721
125
Energy =     1 kcal/mol
Ar -1.70884 -0.64853 -0.26552
Ar 1.94754 0.22116 0.43559
Ar 0.68714 -0.50045 -0.80306
Ar 0.47712 1.78586 1.37995
Ar 0.07694 -0.55248 -1.42254
Ar -1.02307 -0.65393 1.06634
Ar -1.22455 -0.65652 -0.66025
Ar -1.12917 -1.28244 1.05664
Ar -0.68821 0.95665 0.14954
Ar 0.33837 -0.72279 0.24889
Ar -0.31464 0.04439 -1.04970
Ar -0.14571 1.55879 -1.16793
Ar -0.97176 -0.01014 -1.07868
Ar -0.15664 -1.14658 0.17887
Ar 0.02705 -1.01940 -1.01931
Ar -0.94610 0.56181 1.72028
Ar -1.08396 0.95993 -1.13438
Ar 0.14409 0.05683 -1.25332
Ar 0.46138 0.47606 0.37653
Ar -0.22692 -0.64700 -0.72164
Ar -0.88010 0.10758 -2.10662
Ar -1.36441 0.63652 0.62317
Ar 0.07091 1.81088 -1.02801
Ar -0.87841 0.56257 -1.69482
Ar 1.04188 1.60789 -0.52308
Ar -1.97294 -0.62404 0.20043
Ar -0.61558 -1.28230 -1.18714
Ar -0.79542 -1.69029 0.36202
Ar -0.37995 -1.24585 -0.11057
Ar 0.45550 -1.64899 -0.43844
Ar -0.22021 0.18363 0.04971
Ar -0.75521 1.74143 -0.29055
Ar -0.55825 -1.74518 -0.90740
Ar -0.83489 -0.80360 -0.78202
Ar -0.86253 -1.89534 -0.37977
Ar -1.57015 0.87333 -0.40559
Ar -0.55412 0.42620 -2.17755
Ar -1.75906 -0.43400 1.26608
Ar -0.82836 0.61232 -1.08544
Ar 0.65407 -0.36355 -0.05261
Ar 1.04834 0.24890 0.35810
Ar -0.68656 0.21753 -1.21641
Ar -0.31193 0.18278 -1.94050
Ar 1.05492 0.13275 -1.48301
Ar 0.91954 0.64925 -0.10798
Ar -1.24910 0.94209 -0.14681
Ar -0.16847 0.99798 -1.31528
Ar -0.61164 0.04632 -0.41761
Ar -0.14382 1.07769 -0.52964
Ar 1.15284 -1.37277 -1.40996
Ar -0.45752 -1.89437 -0.51438
Ar 0.69893 -1.61973 1.04259
Ar -1.31086 0.57919 1.16986
Ar -0.11026 -0.33652 -1.28322
Ar 1.53585 -0.93571 -0.83968
Ar -0.94227 0.14548 1.90551
Ar 0.07374 -2.18693 0.50551
Ar 0.71778 0.19582 1.42728
Ar -0.12008 0.70165 0.06351
Ar 1.73391 -0.34955 -0.19701
Ar -0.68301 2.15266 -0.12080
Ar -1.18235 -0.96169 1.06339
Ar -0.27124 -1.54195 -0.57852
Ar -0.77866 -0.36892 1.63212
Ar -0.03637 0.96909 0.19868
Ar 0.87470 1.30717 0.67456
Ar -1.89056 -1.21096 0.14795
Ar 0.94147 -0.40871 -1.27021
Ar 1.09538 -0.70238 -0.25504
Ar 0.39252 1.39848 -1.65205
Ar -0.05195 0.56207 -0.76359
Ar 0.68957 -0.21847 1.05070
Ar -0.08432 1.36762 -1.45904
Ar 0.48184 -0.12799 -1.17463
Ar 1.10311 -0.14217 0.59926
Ar -0.30625 -1.72672 0.52474
Ar 1.60459 0.36532 0.20713
Ar 0.83450 -0.91729 1.04639
Ar 1.07733 0.20444 -0.03295
Ar -1.17740 -0.73071 -0.00590
Ar 1.26394 1.54548 0.47789
Ar -1.36731 0.01453 1.75215
Ar -0.88935 -1.90035 0.62359
Ar -0.28426 -0.45066 0.45144
Ar -0.33442 -1.11308 1.95005
Ar 0.24847 1.55402 0.43500
Ar -1.04372 -0.25269 1.25672
Ar -0.84587 1.15682 1.78078
Ar 0.64727 0.57440 1.12170
Ar 1.30642 -0.62961 1.43627
Ar 0.19789 0.31500 0.52058
Ar -0.48947 0.29372 1.85523
Ar -0.13670 -0.09746 0.44816
Ar -0.41854 1.03165 1.10860
Ar 0.47202 1.91263 0.14267
Ar -0.66519 -0.72261 0.85097
Ar -0.88336 1.51131 0.40931
Ar -1.14065 0.55472 -1.47453
Ar -1.12450 -1.45927 -0.97545
Ar 1.99020 0.41975 0.68575
Ar -1.56772 -0.40720 1.61902
Ar -0.55702 -0.30598 0.20140
Ar -0.32424 -0.82829 0.73137
Ar 0.70575 -1.02480 0.17896
Ar 1.47003 -1.66787 -0.00903
Ar 1.21809 -0.13230 1.47532
Ar 0.14181 0.12394 1.31750
Ar 0.52049 -0.14034 2.00158
Ar 0.02040 -0.03941 2.27229
Ar 1.21745 -0.11865 -1.34829
Ar -0.63273 -0.13325 1.37414
Ar 0.65628 0.38335 0.68856
Ar 0.36992 0.56177 1.45303
Ar -0.40399 1.53717 1.39232
Ar -1.13726 -1.68101 0.92989
Ar -0.38099 2.17592 0.47067
Ar -1.44419 1.13504 0.07430
Ar 0.34728 -0.83530 0.79579
Ar 1.61608 0.57808 0.81079
Ar 0.20382 2.25912 0.53674
Ar 0.38619 -1.28872 0.76871
Ar -0.18504 0.73783 0.63674
Ar 0.97503 1.00892 0.58472
Ar 2.06718 0.48132 -0.57830
Ar 1.95945 0.05238 0.89914
125
Energy =     1 kcal/mol
Ar -1.86871 -0.64988 -0.21966
Ar 1.97372 0.29130 0.32498
Ar 0.70407 -0.42069 -0.80011
Ar 0.44671 1.62210 1.50865
Ar 0.11989 -0.55142 -1.43805
Ar -0.93101 -0.74386 1.06468
Ar -1.40170 -0.63679 -0.60988
Ar -1.11436 -1.37253 1.07060
Ar -0.64991 0.94441 0.23517
Ar 0.35928 -0.60644 0.26830
Ar -0.35305 0.10621 -1.00600
Ar -0.08016 1.55636 -1.13150
Ar -1.06483 -0.06258 -1.12826
Ar -0.17458 -1.12335 0.30018
Ar 0.00064 -0.99612 -1.00091
Ar -0.82181 0.47412 1.70096
Ar -1.16567 0.94148 -1.12562
Ar 0.20311 0.01264 -1.31423
Ar 0.50380 0.50321 0.43867
Ar -0.18026 -0.72527 -0.77662
Ar -0.96607 0.10087 -2.04890
Ar -1.42563 0.75831 0.61004
Ar 0.12962 1.84000 -0.96603
Ar -0.89571 0.53046 -1.71560
Ar 1.01537 1.73484 -0.53150
Ar -2.03599 -0.54728 0.08310
Ar -0.64929 -1.28342 -1.31316
Ar -0.75789 -1.59871 0.35736
Ar -0.41907 -1.10472 -0.08349
Ar 0.45109 -1.60961 -0.38028
Ar -0.10313 0.26329 0.05714
Ar -0.66559 1.80607 -0.30753
Ar -0.55789 -1.69425 -0.89962
Ar -0.68055 -0.70473 -0.78222
Ar -0.88559 -1.93153 -0.57342
Ar -1.50273 0.88475 -0.36091
Ar -0.54175 0.39102 -2.19652
Ar -1.71238 -0.21458 1.32583
Ar -0.89777 0.55472 -1.02483
Ar 0.77903 -0.41024 0.08460
Ar 1.16088 0.22483 0.35732
Ar -0.61915 0.15739 -1.17207
Ar -0.29711 0.11331 -2.02921
Ar 1.01806 0.20764 -1.49673
Ar 0.92189 0.74245 -0.02493
Ar -1.21968 0.84960 -0.10351
Ar -0.08165 0.95221 -1.39551
Ar -0.63230 0.09612 -0.37777
Ar -0.12756 1.16254 -0.50573
Ar 1.22010 -1.50862 -1.27259
Ar -0.39130 -1.81869 -0.52572
Ar 0.77892 -1.59978 1.05263
Ar -1.22159 0.65263 1.11679
Ar -0.15211 -0.24603 -1.34632
Ar 1.45359 -0.90647 -0.75285
Ar -0.88711 0.16286 1.86345
Ar 0.07517 -2.08680 0.48118
Ar 0.84141 0.26726 1.47913
Ar -0.25107 0.67640 0.07946
Ar 1.65380 -0.32972 -0.20367
Ar -0.55851 2.18747 -0.18949
Ar -1.27194 -0.95906 1.06025
Ar -0.28559 -1.42244 -0.47631
Ar -0.71753 -0.37270 1.62898
Ar 0.01652 1.00637 0.26286
Ar 0.97164 1.26489 0.72325
Ar -1.82255 -1.15404 0.11698
Ar 0.95064 -0.46957 -1.20483
Ar 1.07499 -0.74134 -0.19436
Ar 0.29364 1.41416 -1.74434
Ar -0.05932 0.60014 -0.65459
Ar 0.83599 -0.24780 1.12475
Ar -0.04619 1.38082 -1.45689
Ar 0.36595 -0.21797 -1.09777
Ar 1.00284 -0.09405 0.74976
Ar -0.20709 -1.73551 0.48343
Ar 1.74677 0.49141 0.15816
Ar 0.81240 -0.93594 1.03640
Ar 1.09443 0.37529 -0.08558
Ar -1.36462 -0.86427 -0.00100
Ar 1.30795 1.46228 0.31563
Ar -1.32706 0.09214 1.78795
Ar -0.88404 -1.91706 0.64322
Ar -0.26897 -0.43374 0.43496
Ar -0.43197 -1.13282 1.98667
Ar 0.34522 1.47619 0.42869
Ar -1.03358 -0.20940 1.18941
Ar -0.86780 1.21788 1.76493
Ar 0.61926 0.48773 1.12352
Ar 1.25951 -0.64981 1.41639
Ar 0.24401 0.22362 0.56970
Ar -0.46271 0.25963 1.76215
Ar -0.07486 -0.03317 0.47686
Ar -0.48435 0.94282 1.18795
Ar 0.35187 1.90101 0.19018
Ar -0.69175 -0.83019 0.88291
Ar -0.90079 1.56831 0.52634
Ar -1.20312 0.45999 -1.51630
Ar -1.12879 -1.48728 -0.94284
Ar 1.97979 0.45994 0.70120
Ar -1.56266 -0.38738 1.62544
Ar -0.55720 -0.30872 0.16795
Ar -0.39491 -0.81595 0.66703
Ar 0.63476 -0.99003 0.13424
Ar 1.41316 -1.78389 -0.04835
Ar 1.31221 -0.06135 1.36137
Ar 0.20358 0.14695 1.34509
Ar 0.55705 -0.12833 1.95949
Ar 0.05195 -0.02056 2.32213
Ar 1.15955 -0.18031 -1.39384
Ar -0.57329 -0.14124 1.42557
Ar 0.71726 0.31796 0.63381
Ar 0.34912 0.55332 1.39625
Ar -0.50284 1.58226 1.35472
Ar -1.16902 -1.65622 0.84714
Ar -0.44673 2.12983 0.37181
Ar -1.56638 1.09966 0.02043
Ar 0.19066 -0.86274 0.67057
Ar 1.59644 0.57785 0.80736
Ar 0.08583 2.15625 0.57003
Ar 0.38051 -1.41356 0.76609
Ar -0.28805 0.70206 0.58036
Ar 0.97203 0.90797 0.52930
Ar 2.04836 0.50087 -0.65528
Ar 2.01189 0.17038 0.86849
125
Energy =     1 kcal/mol
Ar -1.99639 -0.68419 -0.22868
Ar 2.02193 0.33118 0.22804
Ar 0.72062 -0.34019 -0.80339
Ar 0.41620 1.45814 1.63713
Ar 0.17807 -0.56431 -1.45965
Ar -0.89448 -0.76080 1.13199
Ar -1.57902 -0.61742 -0.55829
Ar -1.09944 -1.45395 1.08815
Ar -0.60740 0.92909 0.32090
Ar 0.38352 -0.49316 0.28815
Ar -0.26298 0.13448 -0.88913
Ar -0.01434 1.55884 -1.08751
Ar -1.15366 -0.11187 -1.17851
Ar -0.19568 -1.09769 0.42034
Ar -0.00869 -0.99863 -1.00562
Ar -0.69049 0.41995 1.66363
Ar -1.24472 0.91827 -1.11660
Ar 0.21093 0.00624 -1.40863
Ar 0.55700 0.58441 0.44830
Ar -0.15459 -0.77648 -0.80913
Ar -1.04917 0.09770 -1.98993
Ar -1.48604 0.88001 0.59798
Ar 0.18697 1.86684 -0.90539
Ar -0.88033 0.50027 -1.76129
Ar 0.98880 1.86174 -0.53983
Ar -2.12852 -0.43973 0.02097
Ar -0.68317 -1.28549 -1.43740
Ar -0.72032 -1.51031 0.35646
Ar -0.45459 -0.96539 -0.05381
Ar 0.44635 -1.57000 -0.32202
Ar 0.01212 0.34655 0.06833
Ar -0.57429 1.87622 -0.32245
Ar -0.55695 -1.64444 -0.88366
Ar -0.52278 -0.60631 -0.78244
Ar -0.90354 -1.96468 -0.76917
Ar -1.43498 0.89913 -0.31037
Ar -0.52821 0.35019 -2.21115
Ar -1.66479 0.00432 1.38588
Ar -0.96839 0.49666 -0.96799
Ar 0.90235 -0.46060 0.22188
Ar 1.27027 0.20162 0.35530
Ar -0.68417 0.13029 -1.20126
Ar -0.28685 0.04823 -2.12013
Ar 0.98019 0.28195 -1.51092
Ar 0.92664 0.83014 0.06037
Ar -1.19431 0.75928 -0.05973
Ar 0.00587 0.91370 -1.47646
Ar -0.65227 0.14593 -0.33800
Ar -0.11119 1.24612 -0.48213
Ar 1.22091 -1.56265 -1.06382
Ar -0.32953 -1.73499 -0.54232
Ar 0.85685 -1.57818 1.06112
Ar -1.13247 0.72625 1.06242
Ar -0.20337 -0.13348 -1.39746
Ar 1.37085 -0.87697 -0.66573
Ar -0.84213 0.14789 1.83525
Ar 0.07813 -1.98840 0.45715
Ar 0.96185 0.33980 1.52648
Ar -0.39372 0.62226 0.08661
Ar 1.57321 -0.30995 -0.21026
Ar -0.43524 2.21642 -0.25840
Ar -1.39126 -0.99716 1.05682
Ar -0.30316 -1.30801 -0.37426
Ar -0.67595 -0.40351 1.65005
Ar 0.07980 1.06837 0.34205
Ar 1.06636 1.23388 0.77415
Ar -1.77499 -1.10606 0.09290
Ar 0.95990 -0.52469 -1.13841
Ar 1.05256 -0.77876 -0.13202
Ar 0.18892 1.42280 -1.82403
Ar -0.06737 0.63890 -0.54530
Ar 0.98580 -0.27442 1.19618
Ar -0.00303 1.38421 -1.46405
Ar 0.29621 -0.35404 -0.98750
Ar 0.89962 -0.04265 0.90147
Ar -0.11099 -1.74091 0.44143
Ar 1.86461 0.64289 0.09310
Ar 0.79007 -0.95457 1.02634
Ar 1.10978 0.55020 -0.13224
Ar -1.53288 -0.98646 -0.00465
Ar 1.35038 1.37780 0.15470
Ar -1.28105 0.16887 1.82322
Ar -0.88145 -1.92603 0.66309
Ar -0.25648 -0.41483 0.41738
Ar -0.49601 -1.06017 1.86144
Ar 0.44154 1.40061 0.42028
Ar -1.01995 -0.16831 1.12503
Ar -0.84322 1.21473 1.65389
Ar 0.59119 0.39645 1.12751
Ar 1.21155 -0.66822 1.39557
Ar 0.25940 0.10428 0.64313
Ar -0.43896 0.21883 1.66827
Ar -0.02327 0.02522 0.49845
Ar -0.55042 0.85419 1.26738
Ar 0.23006 1.88721 0.24161
Ar -0.64193 -0.97292 0.85508
Ar -0.91787 1.62512 0.64311
Ar -1.29614 0.36117 -1.53222
Ar -1.13087 -1.51604 -0.90993
Ar 1.95724 0.63531 0.64738
Ar -1.55608 -0.36502 1.63205
Ar -0.55161 -0.31306 0.13917
Ar -0.45091 -0.79960 0.58954
Ar 0.56215 -0.95072 0.09035
Ar 1.34600 -1.88598 -0.08712
Ar 1.40331 0.00838 1.24645
Ar 0.26918 0.17620 1.37260
Ar 0.59297 -0.11574 1.91714
Ar 0.08138 -0.00044 2.23651
Ar 1.09880 -0.24648 -1.43542
Ar -0.49880 -0.11800 1.45250
Ar 0.80963 0.22800 0.61275
Ar 0.32916 0.53851 1.33712
Ar -0.60201 1.62628 1.31724
Ar -1.19697 -1.63940 0.75659
Ar -0.51128 2.08359 0.27186
Ar -1.68391 1.05895 -0.03896
Ar 0.03297 -0.89047 0.54169
Ar 1.58362 0.57445 0.80099
Ar -0.03283 2.04430 0.59887
Ar 0.37617 -1.53757 0.76436
Ar -0.39063 0.66808 0.51737
Ar 0.97104 0.79439 0.46802
Ar 2.02947 0.52037 -0.73209
Ar 2.06952 0.16060 0.91196
125
Energy =     1 kcal/mol
Ar -2.09569 -0.74883 -0.28400
Ar 2.07986 0.35967 0.14245
Ar 0.73589 -0.26217 -0.81329
Ar 0.38567 1.29409 1.76554
Ar 0.23547 -0.57354 -1.47786
Ar -0.86856 -0.77424 1.20617
Ar -1.75843 -0.59888 -0.50437
Ar -1.08569 -1.53305 1.10314
Ar -0.57256 0.93277 0.39460
Ar 0.40954 -0.38212 0.30799
Ar -0.17361 0.16204 -0.77392
Ar 0.05482 1.56327 -1.04589
Ar -1.23999 -0.15846 -1.22941
Ar -0.31752 -1.16133 0.51108
Ar 0.02809 -1.07062 -1.07155
Ar -0.60979 0.44928 1.60513
Ar -1.32220 0.89226 -1.10699
Ar 0.21283 -0.00537 -1.50094
Ar 0.61527 0.66383 0.45907
Ar -0.16795 -0.76460 -0.78070
Ar -1.13039 0.09889 -1.92803
Ar -1.54565 1.00152 0.58609
Ar 0.24096 1.88842 -0.84769
Ar -0.86880 0.46510 -1.80719
Ar 0.96211 1.98858 -0.54812
Ar -2.24547 -0.30336 0.00463
Ar -0.71701 -1.28790 -1.56071
Ar -0.68251 -1.42303 0.35793
Ar -0.48767 -0.82860 -0.02359
Ar 0.44130 -1.53005 -0.26358
Ar 0.12422 0.43138 0.08225
Ar -0.48551 1.94093 -0.33704
Ar -0.55622 -1.59770 -0.86100
Ar -0.37111 -0.50016 -0.78270
Ar -0.88323 -1.91450 -0.93258
Ar -1.37208 0.91636 -0.25670
Ar -0.51250 0.30479 -2.22071
Ar -1.61470 0.21953 1.44946
Ar -1.03906 0.43798 -0.91389
Ar 1.02363 -0.51384 0.35713
Ar 1.37692 0.17991 0.35437
Ar -0.75122 0.10386 -1.22906
Ar -0.28013 -0.01274 -2.21179
Ar 0.94273 0.35366 -1.52458
Ar 0.93244 0.91666 0.14501
Ar -1.16898 0.66961 -0.01427
Ar 0.09346 0.88103 -1.55757
Ar -0.67149 0.19596 -0.29806
Ar -0.09473 1.32902 -0.45893
Ar 1.21998 -1.61436 -0.85315
Ar -0.27182 -1.64468 -0.56289
Ar 0.93316 -1.55547 1.06859
Ar -1.04287 0.80018 1.00771
Ar -0.24827 -0.01905 -1.44696
Ar 1.28735 -0.84699 -0.57800
Ar -0.81040 0.10104 1.82158
Ar 0.15718 -1.98855 0.44062
Ar 1.08047 0.41149 1.57111
Ar -0.53581 0.57037 0.10192
Ar 1.49205 -0.29045 -0.21673
Ar -0.30934 2.25030 -0.32485
Ar -1.50673 -1.03642 1.05359
Ar -0.32241 -1.19579 -0.27220
Ar -0.63614 -0.43478 1.67236
Ar 0.14494 1.13127 0.42166
Ar 1.16066 1.20049 0.82284
Ar -1.96569 -1.17753 0.16017
Ar 0.96786 -0.57310 -1.07185
Ar 1.02811 -0.81418 -0.06730
Ar 0.07284 1.36334 -1.81472
Ar -0.07600 0.67776 -0.43549
Ar 1.13831 -0.29990 1.26678
Ar 0.04239 1.38564 -1.46797
Ar 0.22860 -0.49031 -0.87924
Ar 0.79522 0.01295 1.05198
Ar -0.09081 -1.64520 0.39277
Ar 1.97171 0.80724 0.02192
Ar 0.76825 -0.97339 1.01662
Ar 1.12358 0.72738 -0.17502
Ar -1.46436 -0.98686 -0.10143
Ar 1.39209 1.29244 -0.00573
Ar -1.22879 0.24432 1.85714
Ar -0.88289 -1.92813 0.68323
Ar -0.24794 -0.39747 0.39788
Ar -0.55976 -0.98579 1.73380
Ar 0.53470 1.32387 0.41072
Ar -1.00515 -0.12827 1.06228
Ar -0.81733 1.21126 1.54078
Ar 0.56864 0.29667 1.12805
Ar 1.16144 -0.68314 1.37253
Ar 0.33389 0.00493 0.74373
Ar -0.34845 0.15929 1.59573
Ar -0.02889 0.06355 0.48980
Ar -0.61805 0.76479 1.34817
Ar 0.10566 1.87315 0.29755
Ar -0.58827 -1.12155 0.82449
Ar -0.93451 1.68190 0.75994
Ar -1.38408 0.26223 -1.54971
Ar -1.12999 -1.54743 -0.87650
Ar 1.92899 0.80603 0.59262
Ar -1.54994 -0.33794 1.63584
Ar -0.54048 -0.31958 0.11513
Ar -0.49217 -0.78184 0.50118
Ar 0.49002 -0.90797 0.04721
Ar 1.22036 -1.90669 -0.12227
Ar 1.49039 0.07677 1.13075
Ar 0.33818 0.19776 1.39955
Ar 0.62807 -0.10246 1.87445
Ar 0.11141 0.01959 2.14620
Ar 1.03495 -0.31459 -1.47257
Ar -0.43368 -0.12618 1.46001
Ar 0.90162 0.13746 0.59483
Ar 0.30402 0.53631 1.28042
Ar -0.70186 1.66897 1.28017
Ar -1.21891 -1.62625 0.66597
Ar -0.57437 2.03708 0.17011
Ar -1.79573 1.01457 -0.10239
Ar -0.03347 -0.82174 0.44221
Ar 1.57658 0.57093 0.79145
Ar -0.14982 1.93061 0.62296
Ar 0.37190 -1.66216 0.76230
Ar -0.48154 0.61026 0.45720
Ar 0.96712 0.67761 0.40795
Ar 2.01050 0.53987 -0.80873
Ar 2.11329 0.15239 0.94824
125
Energy =     1 kcal/mol
Ar -2.16954 -0.80291 -0.33604
Ar 2.13604 0.39298 0.05646
Ar 0.75188 -0.18834 -0.82681
Ar 0.35512 1.12992 1.89386
Ar 0.29256 -0.58091 -1.49430
Ar -0.84116 -0.78822 1.28052
Ar -1.94090 -0.58188 -0.44747
Ar -1.07305 -1.61296 1.11225
Ar -0.55947 0.98781 0.44767
Ar 0.43512 -0.27150 0.32887
Ar -0.08482 0.18945 -0.65871
Ar 0.12675 1.57043 -1.00585
Ar -1.32489 -0.20188 -1.28168
Ar -0.42824 -1.25118 0.53579
Ar 0.06342 -1.13923 -1.13501
Ar -0.52694 0.45501 1.56601
Ar -1.39875 0.86458 -1.09685
Ar 0.20963 -0.01901 -1.59225
Ar 0.65871 0.74625 0.47138
Ar -0.14164 -0.79306 -0.75505
Ar -1.21063 0.10555 -1.86102
Ar -1.60475 1.12281 0.57401
Ar 0.29174 1.90438 -0.79306
Ar -0.85994 0.42462 -1.85454
Ar 0.91209 2.06494 -0.54294
Ar -2.32324 -0.16566 -0.01322
Ar -0.75080 -1.29043 -1.68357
Ar -0.65169 -1.33858 0.35467
Ar -0.51818 -0.69264 0.00959
Ar 0.43598 -1.48966 -0.20486
Ar 0.23508 0.51615 0.09728
Ar -0.40604 1.98962 -0.34969
Ar -0.55599 -1.55488 -0.83436
Ar -0.25334 -0.35413 -0.78284
Ar -0.81830 -1.76075 -1.05099
Ar -1.31119 0.93150 -0.19813
Ar -0.49503 0.25562 -2.22734
Ar -1.56281 0.43327 1.51486
Ar -1.10940 0.37876 -0.86187
Ar 1.14379 -0.56817 0.49010
Ar 1.48124 0.15920 0.35522
Ar -0.81969 0.07780 -1.25654
Ar -0.27613 -0.06970 -2.30141
Ar 0.90516 0.42464 -1.53811
Ar 0.93760 1.00685 0.21684
Ar -1.14505 0.58317 0.02856
Ar 0.18054 0.85322 -1.63901
Ar -0.68990 0.24726 -0.25666
Ar -0.07812 1.41192 -0.43626
Ar 1.21899 -1.66601 -0.64213
Ar -0.21910 -1.55117 -0.58721
Ar 1.00848 -1.53173 1.07556
Ar -0.95163 0.87423 0.95412
Ar -0.28935 0.09589 -1.49601
Ar 1.20272 -0.81630 -0.48917
Ar -0.77815 0.05830 1.80298
Ar 0.24677 -1.99822 0.42740
Ar 1.19837 0.48227 1.61458
Ar -0.68303 0.51992 0.10126
Ar 1.41028 -0.27138 -0.22301
Ar -0.17159 2.26991 -0.38475
Ar -1.62107 -1.07620 1.05036
Ar -0.34306 -1.08168 -0.16886
Ar -0.59359 -0.46170 1.69056
Ar 0.21595 1.19628 0.50086
Ar 1.25468 1.16622 0.87066
Ar -1.98468 -1.14662 0.21184
Ar 0.97392 -0.61587 -1.00546
Ar 1.00254 -0.84797 -0.00139
Ar -0.04282 1.29179 -1.81476
Ar -0.08480 0.71593 -0.32485
Ar 1.29048 -0.32609 1.33640
Ar 0.08707 1.38800 -1.44530
Ar 0.15858 -0.62815 -0.77142
Ar 0.75227 -0.00081 1.19728
Ar -0.08068 -1.53505 0.34428
Ar 2.07944 0.96728 -0.04641
Ar 0.74743 -0.99247 1.00748
Ar 1.13495 0.90811 -0.21141
Ar -1.39355 -0.98513 -0.19994
Ar 1.43251 1.20519 -0.16594
Ar -1.17141 0.31745 1.88879
Ar -0.88869 -1.92459 0.70347
Ar -0.24323 -0.38521 0.37523
Ar -0.62435 -0.90879 1.60488
Ar 0.62299 1.24294 0.40089
Ar -0.98977 -0.08866 1.00047
Ar -0.79010 1.20709 1.42529
Ar 0.49196 0.26790 1.11585
Ar 1.11005 -0.69341 1.34726
Ar 0.41250 -0.09170 0.84604
Ar -0.22742 0.19793 1.57788
Ar -0.03545 0.09896 0.47947
Ar -0.69842 0.70163 1.41150
Ar -0.02264 1.85941 0.35807
Ar -0.57224 -1.26524 0.85361
Ar -0.94999 1.73849 0.87866
Ar -1.46742 0.16073 -1.56940
Ar -1.12404 -1.58341 -0.84396
Ar 1.89686 0.97355 0.53791
Ar -1.54349 -0.30902 1.63899
Ar -0.52377 -0.33086 0.09566
Ar -0.52386 -0.76864 0.41008
Ar 0.41895 -0.86377 0.00460
Ar 1.09063 -1.92148 -0.15739
Ar 1.57574 0.14481 1.01447
Ar 0.40095 0.20160 1.44318
Ar 0.66190 -0.08825 1.83106
Ar 0.14223 0.03949 2.05468
Ar 0.96988 -0.38457 -1.50570
Ar -0.40071 -0.24198 1.41842
Ar 0.99339 0.04771 0.57974
Ar 0.27926 0.54675 1.21975
Ar -0.80300 1.70964 1.24204
Ar -1.23433 -1.61532 0.58008
Ar -0.63546 1.99014 0.06545
Ar -1.90244 0.96872 -0.16748
Ar -0.07535 -0.71598 0.35034
Ar 1.57278 0.56789 0.77956
Ar -0.26384 1.81595 0.64168
Ar 0.36579 -1.78869 0.75731
Ar -0.54528 0.49775 0.43167
Ar 0.98174 0.55052 0.35533
Ar 1.99149 0.55937 -0.88521
Ar 2.05521 0.13745 0.93925
125
Energy =     1 kcal/mol
Ar -2.09536 -0.86974 -0.31890
Ar 2.19160 0.42795 -0.02955
Ar 0.76897 -0.11752 -0.84173
Ar 0.32453 0.96559 2.02206
Ar 0.34969 -0.58686 -1.51018
Ar -0.87045 -0.77748 1.28170
Ar -2.05969 -0.47349 -0.42589
Ar -1.05971 -1.69348 1.11718
Ar -0.54689 1.03831 0.50029
Ar 0.45961 -0.16031 0.35184
Ar 0.00327 0.21607 -0.54329
Ar 0.20064 1.58096 -0.96591
Ar -1.40953 -0.24060 -1.33698
Ar -0.34738 -1.29227 0.53905
Ar 0.09788 -1.20566 -1.19640
Ar -0.41595 0.39675 1.56975
Ar -1.47475 0.83587 -1.08629
Ar 0.20382 -0.03354 -1.68270
Ar 0.69969 0.83438 0.48036
Ar -0.19052 -0.85823 -0.73311
Ar -1.28438 0.11616 -1.79489
Ar -1.66356 1.24396 0.56176
Ar 0.33976 1.91491 -0.74121
Ar -0.85315 0.37971 -1.90272
Ar 0.80257 2.01036 -0.50326
Ar -2.23714 -0.01573 -0.03073
Ar -0.77712 -1.28068 -1.78911
Ar -0.74265 -1.30205 0.25411
Ar -0.54770 -0.62385 0.02637
Ar 0.43035 -1.44870 -0.14577
Ar 0.34542 0.60143 0.11261
Ar -0.33453 2.03026 -0.35749
Ar -0.55541 -1.51477 -0.80664
Ar -0.13265 -0.21046 -0.78233
Ar -0.75419 -1.60089 -1.16310
Ar -1.24933 0.94194 -0.13617
Ar -0.47609 0.20268 -2.23299
Ar -1.50925 0.64629 1.58156
Ar -1.17937 0.31929 -0.81130
Ar 1.26311 -0.62226 0.62201
Ar 1.58343 0.13930 0.35832
Ar -0.88939 0.05213 -1.28430
Ar -0.25978 -0.11767 -2.26080
Ar 0.86735 0.49538 -1.55159
Ar 0.96228 1.08112 0.27927
Ar -1.12913 0.50175 0.06794
Ar 0.26631 0.82897 -1.72077
Ar -0.70837 0.30166 -0.21104
Ar -0.06132 1.49552 -0.41431
Ar 1.21710 -1.71865 -0.42913
Ar -0.17203 -1.45660 -0.61529
Ar 1.08307 -1.50694 1.08228
Ar -0.85852 0.94849 0.90247
Ar -0.32904 0.21031 -1.54526
Ar 1.11671 -0.78475 -0.39853
Ar -0.74613 0.01841 1.78207
Ar 0.33624 -2.00458 0.41481
Ar 1.31594 0.55258 1.65755
Ar -0.82924 0.46718 0.07909
Ar 1.32795 -0.25301 -0.22915
Ar -0.02183 2.23260 -0.43495
Ar -1.73471 -1.11599 1.04686
Ar -0.36560 -0.96292 -0.06227
Ar -0.54997 -0.48951 1.70292
Ar 0.29397 1.26153 0.57818
Ar 1.34874 1.13114 0.91775
Ar -1.82008 -1.00778 0.24511
Ar 0.97877 -0.65544 -0.93874
Ar 0.97687 -0.88064 0.06323
Ar -0.15620 1.21846 -1.81461
Ar -0.09302 0.75293 -0.21318
Ar 1.43969 -0.35587 1.40538
Ar 0.13122 1.39025 -1.41780
Ar 0.16222 -0.72766 -0.66162
Ar 0.75928 -0.07488 1.34261
Ar -0.07317 -1.42327 0.29808
Ar 2.04631 1.05745 -0.10847
Ar 0.72810 -1.01156 0.99912
Ar 1.13830 1.08881 -0.24178
Ar -1.32323 -0.98326 -0.29840
Ar 1.47871 1.11830 -0.32689
Ar -1.11114 0.38851 1.91786
Ar -0.89823 -1.91605 0.72418
Ar -0.25794 -0.34832 0.35450
Ar -0.63072 -0.84991 1.55061
Ar 0.68470 1.16618 0.40277
Ar -0.97392 -0.04918 0.93917
Ar -0.76271 1.20123 1.30760
Ar 0.38619 0.28005 1.06262
Ar 1.06003 -0.69930 1.32080
Ar 0.49403 -0.18320 0.95160
Ar -0.10686 0.23488 1.55984
Ar -0.04143 0.13207 0.46860
Ar -0.80998 0.70215 1.43191
Ar -0.14925 1.84638 0.41600
Ar -0.62292 -1.40651 0.99762
Ar -0.98588 1.80316 0.93888
Ar -1.55139 0.05508 -1.58435
Ar -1.11147 -1.62210 -0.81457
Ar 1.86356 1.13959 0.48286
Ar -1.53666 -0.27960 1.64204
Ar -0.49887 -0.27913 0.09480
Ar -0.54623 -0.75722 0.32049
Ar 0.34822 -0.81932 -0.03752
Ar 0.96150 -1.93495 -0.19439
Ar 1.66263 0.21618 0.89523
Ar 0.45301 0.19961 1.51342
Ar 0.69349 -0.07219 1.78515
Ar 0.17390 0.05950 1.96101
Ar 0.90409 -0.45536 -1.53656
Ar -0.37076 -0.35843 1.38189
Ar 1.08598 -0.04048 0.56411
Ar 0.24200 0.57491 1.16974
Ar -0.88216 1.73751 1.26151
Ar -1.24517 -1.60677 0.49727
Ar -0.69335 1.94310 -0.04296
Ar -2.00740 0.92266 -0.23261
Ar -0.11128 -0.63804 0.25114
Ar 1.56981 0.56125 0.76800
Ar -0.38044 1.70003 0.66241
Ar 0.35836 -1.91627 0.75095
Ar -0.60275 0.38790 0.42477
Ar 1.00136 0.42531 0.30166
Ar 1.97244 0.57889 -0.96156
Ar 1.98397 0.12223 0.92610
125
Energy =     1 kcal/mol
Ar -1.99982 -0.96412 -0.27731
Ar 2.24672 0.46357 -0.11548
Ar 0.78649 -0.04827 -0.85700
Ar 0.29376 0.80062 2.14900
Ar 0.40839 -0.59142 -1.52611
Ar -0.98167 -0.73288 1.17916
Ar -2.15206 -0.31898 -0.42000
Ar -1.02801 -1.75009 1.10135
Ar -0.53636 1.08770 0.55552
Ar 0.48314 -0.04849 0.37633
Ar 0.09024 0.24050 -0.42888
Ar 0.27587 1.59546 -0.92481
Ar -1.49248 -0.27721 -1.39347
Ar -0.26378 -1.33080 0.54978
Ar 0.13180 -1.27131 -1.25657
Ar -0.33077 0.34960 1.57437
Ar -1.55039 0.80649 -1.07543
Ar 0.19707 -0.04867 -1.77268
Ar 0.75532 0.85045 0.50014
Ar -0.28191 -0.94431 -0.71383
Ar -1.33327 0.13193 -1.74559
Ar -1.72217 1.36503 0.54942
Ar 0.38630 1.92120 -0.69014
Ar -0.84663 0.33179 -1.95112
Ar 0.68928 1.95330 -0.46462
Ar -2.14359 0.13394 -0.04877
Ar -0.74539 -1.17547 -1.76065
Ar -0.83761 -1.26590 0.14961
Ar -0.58639 -0.59026 -0.05042
Ar 0.42429 -1.40709 -0.08620
Ar 0.45604 0.68783 0.12890
Ar -0.26555 2.06799 -0.36265
Ar -0.55320 -1.47496 -0.78107
Ar -0.01025 -0.06618 -0.77983
Ar -0.68982 -1.43920 -1.26771
Ar -1.18645 0.94847 -0.07239
Ar -0.45713 0.14797 -2.23683
Ar -1.42941 0.84563 1.62177
Ar -1.24905 0.25979 -0.76166
Ar 1.38159 -0.67548 0.75381
Ar 1.68399 0.12053 0.36543
Ar -0.96057 0.02678 -1.31277
Ar -0.23910 -0.16080 -2.16849
Ar 0.82904 0.56618 -1.56515
Ar 1.09243 1.11004 0.29238
Ar -1.27365 0.44149 0.09949
Ar 0.35119 0.80603 -1.80232
Ar -0.70777 0.33634 -0.21027
Ar -0.04429 1.58086 -0.39325
Ar 1.21192 -1.77384 -0.21316
Ar -0.13088 -1.36097 -0.64669
Ar 1.15698 -1.48120 1.08881
Ar -0.76231 1.02501 0.85287
Ar -0.36886 0.32415 -1.59529
Ar 1.02939 -0.75254 -0.30521
Ar -0.71313 -0.02031 1.75980
Ar 0.42438 -2.01598 0.37886
Ar 1.43331 0.62266 1.70019
Ar -0.83096 0.41540 0.11351
Ar 1.24493 -0.23573 -0.23526
Ar 0.12962 2.19374 -0.48594
Ar -1.74971 -1.09304 0.98495
Ar -0.37912 -0.85204 0.04892
Ar -0.50558 -0.51280 1.71172
Ar 0.37749 1.32499 0.65311
Ar 1.44314 1.09504 0.96389
Ar -1.65549 -0.86880 0.27766
Ar 0.98316 -0.69369 -0.87097
Ar 0.95165 -0.91205 0.12432
Ar -0.26684 1.14505 -1.81145
Ar -0.10018 0.78880 -0.10072
Ar 1.58631 -0.38763 1.47357
Ar 0.17438 1.39235 -1.38960
Ar 0.20802 -0.80667 -0.54844
Ar 0.76164 -0.15042 1.46640
Ar -0.06496 -1.31013 0.24922
Ar 1.85002 1.06680 -0.16363
Ar 0.71058 -1.03007 0.99180
Ar 1.11917 1.26299 -0.26623
Ar -1.25309 -0.98142 -0.39661
Ar 1.54777 1.03761 -0.49026
Ar -1.04960 0.45872 1.94466
Ar -0.91094 -1.90261 0.74771
Ar -0.28739 -0.26787 0.36236
Ar -0.55348 -0.82414 1.59944
Ar 0.62216 1.20406 0.44105
Ar -0.95763 -0.00967 0.87796
Ar -0.73678 1.19265 1.18644
Ar 0.30397 0.24844 0.99863
Ar 1.01086 -0.70332 1.29327
Ar 0.57732 -0.26950 1.06085
Ar 0.04015 0.25884 1.54236
Ar -0.04794 0.16269 0.45678
Ar -0.92006 0.70380 1.45185
Ar -0.27212 1.83504 0.46921
Ar -0.67518 -1.54897 1.13907
Ar -1.05116 1.87282 0.89063
Ar -1.65710 -0.05536 -1.58084
Ar -1.09432 -1.66052 -0.78766
Ar 1.82976 1.30497 0.42735
Ar -1.52950 -0.25002 1.64503
Ar -0.47988 -0.14261 0.09604
Ar -0.56049 -0.77851 0.30794
Ar 0.27613 -0.77490 -0.07950
Ar 0.83520 -1.94546 -0.23419
Ar 1.69875 0.28449 0.76640
Ar 0.50711 0.19223 1.58104
Ar 0.71773 -0.04729 1.75582
Ar 0.20674 0.08105 1.86178
Ar 0.83622 -0.52668 -1.56628
Ar -0.34398 -0.47668 1.34976
Ar 1.17951 -0.12702 0.54720
Ar 0.18389 0.63842 1.13559
Ar -0.87253 1.64481 1.30855
Ar -1.25298 -1.59953 0.41623
Ar -0.74768 1.89659 -0.15388
Ar -2.11194 0.87653 -0.29767
Ar -0.13133 -0.61418 0.13394
Ar 1.55535 0.58110 0.75051
Ar -0.50174 1.58150 0.68759
Ar 0.35199 -2.03798 0.76755
Ar -0.66266 0.27919 0.41261
Ar 1.01975 0.30092 0.25013
Ar 1.95335 0.59844 -1.03778
Ar 1.97321 0.08294 0.92446
125
Energy =     1 kcal/mol
Ar -1.90383 -1.05742 -0.23547
Ar 2.24243 0.48702 -0.19734
Ar 0.80398 0.02028 -0.87218
Ar 0.25224 0.60676 2.19433
Ar 0.46238 -0.59504 -1.54119
Ar -1.09114 -0.68823 1.07805
Ar -2.24420 -0.16445 -0.41301
Ar -0.97124 -1.75193 1.05251
Ar -0.49067 1.15038 0.56591
Ar 0.50587 0.06430 0.40148
Ar 0.17604 0.26241 -0.31717
Ar 0.35193 1.61444 -0.88137
Ar -1.53942 -0.35580 -1.41458
Ar -0.18775 -1.36796 0.56838
Ar 0.16523 -1.33666 -1.31593
Ar -0.25011 0.30325 1.57958
Ar -1.62582 0.77665 -1.06437
Ar 0.18918 -0.06450 -1.86305
Ar 0.81911 0.83020 0.52292
Ar -0.37004 -1.03464 -0.69300
Ar -1.38141 0.14543 -1.69451
Ar -1.74227 1.45464 0.52524
Ar 0.40501 1.91416 -0.67679
Ar -0.83829 0.28185 -1.99951
Ar 0.60401 1.89641 -0.39607
Ar -2.04995 0.28282 -0.06775
Ar -0.70784 -1.06238 -1.71742
Ar -0.93148 -1.22839 0.04602
Ar -0.63897 -0.52078 -0.13968
Ar 0.41729 -1.36465 -0.02608
Ar 0.56835 0.77583 0.14819
Ar -0.19139 2.10438 -0.36883
Ar -0.54761 -1.43265 -0.75700
Ar 0.11328 0.08070 -0.77387
Ar -0.62486 -1.27658 -1.37005
Ar -1.12333 0.95224 -0.00761
Ar -0.43902 0.09261 -2.23778
Ar -1.26589 0.99789 1.57119
Ar -1.31852 0.20038 -0.71255
Ar 1.49913 -0.72785 0.88586
Ar 1.78368 0.10147 0.37484
Ar -1.03373 0.00174 -1.34255
Ar -0.21883 -0.20152 -2.07554
Ar 0.78937 0.63749 -1.57936
Ar 1.21890 1.13620 0.30646
Ar -1.42777 0.38440 0.13005
Ar 0.43677 0.78281 -1.88296
Ar -0.68711 0.35241 -0.25635
Ar -0.02692 1.66982 -0.37330
Ar 1.20197 -1.83102 0.00264
Ar -0.09555 -1.26223 -0.68050
Ar 1.23031 -1.45470 1.09518
Ar -0.69957 1.07651 0.81140
Ar -0.40957 0.43746 -1.64671
Ar 0.94137 -0.72040 -0.20830
Ar -0.67822 -0.05962 1.73658
Ar 0.51196 -2.02808 0.34116
Ar 1.46096 0.65334 1.63830
Ar -0.84885 0.38908 0.18370
Ar 1.16095 -0.21992 -0.24122
Ar 0.27199 2.15901 -0.53085
Ar -1.70653 -1.03328 0.88897
Ar -0.35682 -0.82083 0.09479
Ar -0.45251 -0.48155 1.73373
Ar 0.43425 1.40330 0.75774
Ar 1.53785 1.05709 1.00859
Ar -1.49098 -0.73008 0.30979
Ar 0.98725 -0.73141 -0.80174
Ar 0.92681 -0.94147 0.18046
Ar -0.37661 1.07149 -1.80769
Ar -0.10653 0.82381 0.01214
Ar 1.72390 -0.41758 1.53384
Ar 0.21772 1.39515 -1.35921
Ar 0.25118 -0.88676 -0.43242
Ar 0.77935 -0.26280 1.45807
Ar -0.05021 -1.19572 0.19033
Ar 1.65011 1.07562 -0.22228
Ar 0.69505 -1.04725 0.98584
Ar 1.10218 1.43583 -0.29015
Ar -1.18284 -0.97977 -0.49440
Ar 1.61802 0.95826 -0.64825
Ar -0.98750 0.52929 1.96898
Ar -0.92324 -1.89012 0.76481
Ar -0.29848 -0.19830 0.38942
Ar -0.48313 -0.84639 1.62599
Ar 0.58019 1.26326 0.44093
Ar -0.94053 0.03020 0.81587
Ar -0.71353 1.20326 1.10392
Ar 0.22111 0.21886 0.93752
Ar 0.96018 -0.70692 1.26394
Ar 0.66168 -0.35410 1.17245
Ar 0.19348 0.28841 1.51242
Ar -0.05579 0.18962 0.44399
Ar -1.03172 0.70678 1.47316
Ar -0.39794 1.82007 0.52481
Ar -0.72195 -1.69007 1.28405
Ar -1.05573 1.83574 0.79518
Ar -1.72583 -0.11663 -1.54893
Ar -1.07507 -1.69800 -0.76119
Ar 1.76694 1.44771 0.36518
Ar -1.52206 -0.22040 1.64795
Ar -0.47912 0.00049 0.07570
Ar -0.62200 -0.78678 0.37365
Ar 0.19946 -0.73016 -0.12275
Ar 0.71306 -1.95347 -0.27338
Ar 1.74366 0.28820 0.64015
Ar 0.54657 0.19290 1.63583
Ar 0.73059 0.00622 1.86870
Ar 0.24604 0.09526 1.77027
Ar 0.77264 -0.59825 -1.59651
Ar -0.32184 -0.59817 1.32531
Ar 1.27373 -0.21182 0.52908
Ar 0.12654 0.69653 1.10138
Ar -0.84440 1.51398 1.32449
Ar -1.25869 -1.59241 0.33599
Ar -0.79985 1.85056 -0.26553
Ar -2.12429 0.79328 -0.34891
Ar -0.12107 -0.55406 0.01887
Ar 1.50648 0.67831 0.72316
Ar -0.62177 1.46150 0.71074
Ar 0.34604 -2.15712 0.78491
Ar -0.71396 0.15911 0.41175
Ar 1.03818 0.17520 0.20026
Ar 1.92682 0.61579 -1.10967
Ar 1.98595 0.03227 0.92840
125
Energy =     1 kcal/mol
Ar -1.80741 -1.15054 -0.19347
Ar 2.16649 0.49532 -0.27382
Ar 0.82109 0.08856 -0.88707
Ar 0.20630 0.40027 2.20281
Ar 0.41115 -0.59647 -1.53731
Ar -1.20052 -0.64353 0.97680
Ar -2.27934 -0.00695 -0.39522
Ar -0.95193 -1.72462 1.06154
Ar -0.36980 1.23511 0.48214
Ar 0.52793 0.17807 0.42687
Ar 0.26110 0.28300 -0.20818
Ar 0.42074 1.56343 -0.87829
Ar -1.54257 -0.48774 -1.40358
Ar -0.11052 -1.40274 0.58250
Ar 0.19825 -1.40173 -1.37476
Ar -0.16306 0.25515 1.58460
Ar -1.70112 0.74646 -1.05312
Ar 0.17726 -0.08195 -1.95495
Ar 0.87974 0.81385 0.53948
Ar -0.46370 -1.10824 -0.66957
Ar -1.43146 0.15370 -1.63884
Ar -1.63005 1.43484 0.46091
Ar 0.42707 1.89417 -0.72668
Ar -0.82657 0.23052 -2.04802
Ar 0.56297 1.84031 -0.27601
Ar -1.95601 0.43241 -0.08819
Ar -0.67608 -0.93971 -1.68662
Ar -1.02563 -1.19055 -0.05695
Ar -0.68622 -0.45352 -0.22359
Ar 0.40837 -1.32043 0.03438
Ar 0.68356 0.86557 0.17325
Ar -0.11145 2.13592 -0.37643
Ar -0.54247 -1.39942 -0.73535
Ar 0.23772 0.22893 -0.76443
Ar -0.55369 -1.12366 -1.45854
Ar -1.05998 0.95464 0.05765
Ar -0.42047 0.03470 -2.23401
Ar -1.09696 1.14735 1.51679
Ar -1.38790 0.14109 -0.66371
Ar 1.61585 -0.77961 1.01827
Ar 1.89296 0.03897 0.32817
Ar -1.11014 -0.02265 -1.37470
Ar -0.19785 -0.23652 -1.98299
Ar 0.74663 0.70993 -1.59632
Ar 1.34417 1.16147 0.32125
Ar -1.58035 0.32782 0.16012
Ar 0.52510 0.75843 -1.96068
Ar -0.66697 0.36698 -0.29560
Ar -0.00885 1.76534 -0.35490
Ar 1.18981 -1.88874 0.21777
Ar -0.05405 -1.16993 -0.71419
Ar 1.30321 -1.42757 1.10142
Ar -0.70544 1.03815 0.74905
Ar -0.45131 0.55075 -1.69976
Ar 0.85345 -0.68948 -0.10735
Ar -0.64002 -0.10202 1.71282
Ar 0.59840 -2.04073 0.30672
Ar 1.42259 0.65496 1.50003
Ar -0.87766 0.37864 0.22805
Ar 1.07568 -0.20526 -0.24599
Ar 0.36668 2.20277 -0.52237
Ar -1.66279 -0.97317 0.79264
Ar -0.34902 -0.82306 0.12352
Ar -0.39841 -0.43641 1.75389
Ar 0.47843 1.48915 0.87821
Ar 1.63197 1.01540 1.05022
Ar -1.32633 -0.59181 0.34209
Ar 0.99099 -0.76877 -0.73117
Ar 0.90161 -0.96790 0.23111
Ar -0.48618 0.99692 -1.80360
Ar -0.11261 0.85828 0.12539
Ar 1.67854 -0.40338 1.43176
Ar 0.26160 1.39877 -1.32676
Ar 0.29802 -0.98046 -0.33395
Ar 0.83616 -0.34252 1.54743
Ar -0.03741 -1.07915 0.13290
Ar 1.44868 1.08353 -0.28550
Ar 0.68163 -1.06209 0.98164
Ar 1.08541 1.60822 -0.31358
Ar -1.11205 -0.97858 -0.59143
Ar 1.68931 0.87991 -0.80133
Ar -0.92555 0.60066 1.99034
Ar -0.92266 -1.91338 0.70562
Ar -0.30995 -0.12307 0.41183
Ar -0.41197 -0.87556 1.64406
Ar 0.55337 1.30933 0.42425
Ar -0.92115 0.07096 0.74980
Ar -0.68134 1.24617 1.11072
Ar 0.13721 0.19201 0.87700
Ar 0.90728 -0.70990 1.23353
Ar 0.70643 -0.47092 1.18555
Ar 0.32897 0.36087 1.42275
Ar -0.06586 0.21139 0.43093
Ar -1.14460 0.71089 1.49714
Ar -0.52701 1.80013 0.58282
Ar -0.71527 -1.75314 1.39139
Ar -1.05113 1.78401 0.69411
Ar -1.70119 -0.11126 -1.43210
Ar -1.05452 -1.73454 -0.73465
Ar 1.63250 1.53325 0.28776
Ar -1.51438 -0.19078 1.65078
Ar -0.48141 0.14481 0.06203
Ar -0.69619 -0.79076 0.45324
Ar 0.12809 -0.68530 -0.15090
Ar 0.59243 -1.96057 -0.31097
Ar 1.77923 0.33398 0.57532
Ar 0.59844 0.22002 1.65730
Ar 0.75643 0.04254 2.00026
Ar 0.27134 0.05657 1.75034
Ar 0.81389 -0.67156 -1.64566
Ar -0.30414 -0.72177 1.31082
Ar 1.36825 -0.29497 0.50989
Ar 0.06990 0.75022 1.06718
Ar -0.83041 1.40198 1.36229
Ar -1.26280 -1.58453 0.25575
Ar -0.85119 1.80465 -0.37718
Ar -2.06580 0.68072 -0.38827
Ar -0.09707 -0.45232 -0.09219
Ar 1.45907 0.77690 0.69722
Ar -0.74274 1.36288 0.73521
Ar 0.31816 -2.12716 0.74475
Ar -0.74939 0.01761 0.43039
Ar 1.05642 0.04751 0.15116
Ar 1.86640 0.62300 -1.16171
Ar 1.99496 -0.01524 0.92794
125
Energy =     1 kcal/mol
Ar -1.71042 -1.24366 -0.15136
Ar 2.09027 0.50364 -0.35026
Ar 0.83720 0.15696 -0.90145
Ar 0.16105 0.19239 2.20898
Ar 0.35008 -0.59748 -1.53189
Ar -1.31068 -0.59942 0.87407
Ar -2.20399 0.15421 -0.35767
Ar -0.93126 -1.69391 1.08107
Ar -0.25286 1.31892 0.40079
Ar 0.54883 0.29227 0.45223
Ar 0.34587 0.30322 -0.10008
Ar 0.48213 1.43494 -0.91976
Ar -1.54156 -0.62275 -1.39008
Ar -0.03281 -1.43610 0.59449
Ar 0.23100 -1.46648 -1.43329
Ar -0.07060 0.20533 1.59021
Ar -1.77641 0.71593 -1.04160
Ar 0.15934 -0.10181 -2.04724
Ar 0.93836 0.79966 0.54981
Ar -0.52110 -1.05684 -0.61864
Ar -1.48138 0.15511 -1.57644
Ar -1.51357 1.41200 0.39558
Ar 0.45821 1.94116 -0.73523
Ar -0.81072 0.17788 -2.09705
Ar 0.51820 1.78705 -0.16294
Ar -1.85711 0.58026 -0.10284
Ar -0.68286 -0.75613 -1.73367
Ar -1.12050 -1.15305 -0.16002
Ar -0.73136 -0.38689 -0.30581
Ar 0.39661 -1.27195 0.09298
Ar 0.80132 0.95645 0.20561
Ar -0.02934 2.17823 -0.38671
Ar -0.57106 -1.48968 -0.74131
Ar 0.36328 0.37709 -0.75321
Ar -0.44371 -1.03161 -1.46859
Ar -0.99616 0.95610 0.12353
Ar -0.40147 -0.02562 -2.22426
Ar -1.05157 1.17959 1.51972
Ar -1.45735 0.08196 -0.61499
Ar 1.73198 -0.82982 1.15187
Ar 2.00369 -0.03171 0.27257
Ar -1.19253 -0.04534 -1.41030
Ar -0.17489 -0.26493 -1.89368
Ar 0.70047 0.78306 -1.61885
Ar 1.47121 1.18823 0.33671
Ar -1.73595 0.27290 0.18720
Ar 0.61667 0.73331 -2.03265
Ar -0.64538 0.37895 -0.32831
Ar 0.01440 1.85130 -0.33632
Ar 1.17584 -1.94589 0.43267
Ar -0.01564 -1.07824 -0.74603
Ar 1.37588 -1.39982 1.10753
Ar -0.70423 0.92583 0.69213
Ar -0.48982 0.65224 -1.75168
Ar 0.76626 -0.66115 -0.00271
Ar -0.59805 -0.14805 1.68911
Ar 0.68444 -2.05322 0.27353
Ar 1.38458 0.65717 1.36077
Ar -0.90154 0.36246 0.27211
Ar 0.98933 -0.19015 -0.24641
Ar 0.44814 2.20765 -0.49460
Ar -1.61758 -0.91200 0.69636
Ar -0.34035 -0.82289 0.15290
Ar -0.34662 -0.39355 1.76982
Ar 0.52333 1.57324 0.99483
Ar 1.72363 0.97017 1.08827
Ar -1.16081 -0.45407 0.37549
Ar 0.99437 -0.80579 -0.65963
Ar 0.87485 -0.99055 0.27658
Ar -0.59959 0.93310 -1.80151
Ar -0.11930 0.89328 0.23982
Ar 1.59255 -0.38069 1.29248
Ar 0.30684 1.40348 -1.29074
Ar 0.34473 -1.07959 -0.23776
Ar 0.90273 -0.41458 1.66111
Ar -0.02203 -0.95978 0.07263
Ar 1.24709 1.09167 -0.34907
Ar 0.67065 -1.07311 0.97982
Ar 1.06755 1.78045 -0.33668
Ar -1.04005 -0.97828 -0.68707
Ar 1.76082 0.80202 -0.95264
Ar -0.86430 0.67251 2.00952
Ar -0.92108 -1.93961 0.63901
Ar -0.32496 -0.03963 0.43040
Ar -0.34027 -0.89838 1.66309
Ar 0.52719 1.35351 0.41006
Ar -0.90614 0.11646 0.69145
Ar -0.61020 1.23597 1.04382
Ar 0.05220 0.16674 0.81316
Ar 0.93367 -0.80923 1.22269
Ar 0.65953 -0.50071 1.15325
Ar 0.46109 0.43193 1.33384
Ar -0.07799 0.22837 0.41973
Ar -1.25587 0.71871 1.52286
Ar -0.66031 1.77554 0.64228
Ar -0.61833 -1.59006 1.31693
Ar -1.04190 1.72927 0.59311
Ar -1.67303 -0.09723 -1.31977
Ar -1.03287 -1.77003 -0.70798
Ar 1.49426 1.61372 0.21039
Ar -1.50650 -0.16113 1.65350
Ar -0.48846 0.28949 0.05397
Ar -0.76758 -0.79448 0.52902
Ar 0.10269 -0.68772 -0.18561
Ar 0.47189 -1.96742 -0.34740
Ar 1.81238 0.38758 0.52259
Ar 0.65979 0.24873 1.67741
Ar 0.77847 0.08013 2.12604
Ar 0.28719 0.01702 1.73451
Ar 0.86459 -0.74499 -1.69646
Ar -0.28745 -0.84455 1.29894
Ar 1.46272 -0.37691 0.48986
Ar 0.01380 0.80163 1.03321
Ar -0.73312 1.45660 1.40927
Ar -1.26577 -1.57540 0.17489
Ar -0.90223 1.75875 -0.48874
Ar -2.00889 0.56696 -0.43124
Ar -0.12594 -0.30654 -0.18640
Ar 1.41304 0.87820 0.67289
Ar -0.86606 1.34380 0.75588
Ar 0.28144 -2.03106 0.67884
Ar -0.77337 -0.12518 0.43369
Ar 1.07450 -0.08317 0.09945
Ar 1.80371 0.62966 -1.21290
Ar 2.00227 -0.06137 0.92498
125
Energy =     1 kcal/mol
Ar -1.61110 -1.33690 -0.10884
Ar 2.01380 0.51202 -0.42680
Ar 0.85136 0.22622 -0.91492
Ar 0.11716 -0.01656 2.21153
Ar 0.29064 -0.59878 -1.52744
Ar -1.42246 -0.55780 0.76743
Ar -2.13894 0.30281 -0.30907
Ar -0.90566 -1.66330 1.10084
Ar -0.13626 1.39855 0.31934
Ar 0.56838 0.40688 0.47659
Ar 0.43071 0.32329 0.00932
Ar 0.54196 1.30855 -0.96335
Ar -1.54084 -0.75460 -1.37636
Ar 0.04552 -1.46939 0.60572
Ar 0.26357 -1.53094 -1.49169
Ar 0.02627 0.15304 1.59754
Ar -1.85177 0.68490 -1.02949
Ar 0.13524 -0.12406 -2.13731
Ar 0.99822 0.78870 0.55542
Ar -0.57673 -1.00025 -0.56754
Ar -1.53551 0.15382 -1.50973
Ar -1.39542 1.38962 0.33080
Ar 0.48861 1.97270 -0.75508
Ar -0.79029 0.12347 -2.14671
Ar 0.47172 1.73602 -0.05386
Ar -1.75186 0.72081 -0.10302
Ar -0.68919 -0.57188 -1.78156
Ar -1.21661 -1.11661 -0.26355
Ar -0.77539 -0.32036 -0.38728
Ar 0.38443 -1.22708 0.17213
Ar 0.92034 1.04686 0.24441
Ar 0.04953 2.27495 -0.40611
Ar -0.60305 -1.58517 -0.74802
Ar 0.49081 0.52421 -0.74186
Ar -0.33366 -0.93984 -1.47750
Ar -0.93168 0.95669 0.19079
Ar -0.38287 -0.08669 -2.20894
Ar -1.10630 1.11782 1.56777
Ar -1.52721 0.02314 -0.56637
Ar 1.79536 -0.85273 1.25121
Ar 2.11278 -0.10009 0.21936
Ar -1.27783 -0.07019 -1.44509
Ar -0.14973 -0.28852 -1.81011
Ar 0.65280 0.85553 -1.64778
Ar 1.59719 1.21632 0.35435
Ar -1.89352 0.22175 0.20995
Ar 0.70828 0.70758 -2.09411
Ar -0.62151 0.38921 -0.35378
Ar 0.04997 1.88279 -0.31006
Ar 1.10152 -1.90652 0.62263
Ar 0.01981 -0.98631 -0.77598
Ar 1.44844 -1.37128 1.11361
Ar -0.70273 0.81789 0.63786
Ar -0.47931 0.62120 -1.78022
Ar 0.68038 -0.63650 0.10468
Ar -0.56732 -0.18354 1.66080
Ar 0.77141 -2.06485 0.24180
Ar 1.34793 0.66071 1.21996
Ar -0.92001 0.34160 0.31799
Ar 0.89866 -0.17696 -0.25397
Ar 0.51196 2.15383 -0.43569
Ar -1.56911 -0.84757 0.60153
Ar -0.34457 -0.81592 0.18523
Ar -0.28222 -0.36396 1.78872
Ar 0.56824 1.65677 1.11033
Ar 1.80833 0.92087 1.12255
Ar -1.04258 -0.34043 0.40623
Ar 0.99739 -0.84249 -0.58742
Ar 0.84500 -1.00916 0.31772
Ar -0.76230 1.00102 -1.82324
Ar -0.12739 0.93159 0.35605
Ar 1.50756 -0.36079 1.15151
Ar 0.35365 1.40890 -1.25112
Ar 0.38517 -1.16655 -0.15890
Ar 0.96820 -0.48722 1.77191
Ar 0.00535 -0.86098 0.02315
Ar 1.04534 1.10019 -0.41198
Ar 0.66354 -1.07937 0.98138
Ar 1.04805 1.95237 -0.35925
Ar -0.96515 -0.97919 -0.78039
Ar 1.82107 0.79012 -1.00258
Ar -0.80345 0.74444 2.02713
Ar -0.91977 -1.96363 0.57543
Ar -0.35577 0.03575 0.44871
Ar -0.26926 -0.91864 1.68561
Ar 0.50233 1.39574 0.39549
Ar -0.89377 0.16599 0.63506
Ar -0.54473 1.22647 0.97338
Ar -0.03492 0.14225 0.74377
Ar 0.97270 -0.92993 1.21335
Ar 0.59745 -0.51229 1.11869
Ar 0.59426 0.49929 1.25031
Ar -0.07919 0.25513 0.41024
Ar -1.36492 0.72989 1.54924
Ar -0.78362 1.74880 0.70915
Ar -0.52383 -1.42284 1.23443
Ar -1.04274 1.66598 0.48761
Ar -1.63705 -0.08119 -1.21235
Ar -1.00908 -1.80386 -0.68131
Ar 1.35502 1.68864 0.13419
Ar -1.49847 -0.13145 1.65614
Ar -0.50021 0.43367 0.04614
Ar -0.83942 -0.79609 0.60293
Ar 0.08456 -0.68118 -0.23682
Ar 0.35148 -1.97410 -0.38310
Ar 1.84626 0.43867 0.46905
Ar 0.71402 0.27491 1.69738
Ar 0.77820 0.11632 2.19216
Ar 0.30460 -0.01580 1.71821
Ar 0.91311 -0.81785 -1.74657
Ar -0.27039 -0.96623 1.28458
Ar 1.55707 -0.45805 0.46940
Ar -0.04221 0.85215 0.99898
Ar -0.53552 1.59932 1.40615
Ar -1.26866 -1.56443 0.09274
Ar -0.95315 1.71281 -0.60021
Ar -1.94421 0.46913 -0.49613
Ar -0.15582 -0.16284 -0.27920
Ar 1.36591 0.98224 0.64589
Ar -0.98504 1.33040 0.77621
Ar 0.24560 -1.93424 0.61160
Ar -0.74021 -0.24445 0.43397
Ar 1.09596 -0.21405 0.05603
Ar 1.75226 0.57028 -1.36499
Ar 2.00849 -0.10736 0.92108
125
Energy =     1 kcal/mol
Ar -1.51885 -1.42232 -0.07152
Ar 1.93711 0.52062 -0.50377
Ar 0.86290 0.29768 -0.92689
Ar 0.07423 -0.22562 2.21026
Ar 0.23020 -0.59979 -1.52372
Ar -1.52671 -0.49479 0.67107
Ar -2.14011 0.38244 -0.19877
Ar -0.87601 -1.63083 1.12107
Ar -0.01869 1.47348 0.23832
Ar 0.58711 0.52159 0.49753
Ar 0.51615 0.34391 0.12276
Ar 0.60848 1.17841 -0.99687
Ar -1.53996 -0.88559 -1.36248
Ar 0.12590 -1.50477 0.61592
Ar 0.29604 -1.59519 -1.55002
Ar 0.08667 0.12295 1.58935
Ar -1.92708 0.65275 -1.01569
Ar 0.10489 -0.14809 -2.22401
Ar 1.06138 0.78413 0.55733
Ar -0.63682 -0.94439 -0.51969
Ar -1.61138 0.16751 -1.44420
Ar -1.27455 1.36727 0.26731
Ar 0.51798 1.99684 -0.78215
Ar -0.75838 0.06589 -2.17884
Ar 0.42325 1.68589 0.05379
Ar -1.64857 0.85778 -0.10545
Ar -0.69353 -0.38756 -1.82896
Ar -1.31524 -1.08311 -0.36589
Ar -0.81864 -0.25379 -0.46836
Ar 0.37422 -1.19484 0.30976
Ar 1.04083 1.13413 0.28945
Ar 0.12908 2.24706 -0.40388
Ar -0.63965 -1.68126 -0.75349
Ar 0.62105 0.66937 -0.73154
Ar -0.22390 -0.84664 -1.48713
Ar -0.86585 0.95583 0.26137
Ar -0.36482 -0.14712 -2.18934
Ar -1.16315 1.05177 1.61555
Ar -1.59803 -0.03467 -0.51818
Ar 1.64735 -0.77474 1.20456
Ar 2.22111 -0.16794 0.16697
Ar -1.34813 -0.11333 -1.47119
Ar -0.12314 -0.31000 -1.73216
Ar 0.60548 0.92658 -1.68129
Ar 1.71874 1.24236 0.37549
Ar -2.05144 0.17227 0.22998
Ar 0.76224 0.64716 -2.04228
Ar -0.59559 0.39955 -0.37206
Ar 0.09097 1.91306 -0.28329
Ar 0.99667 -1.81896 0.79781
Ar 0.05446 -0.89393 -0.80448
Ar 1.51661 -1.33790 1.11677
Ar -0.70219 0.71234 0.58147
Ar -0.46755 0.58521 -1.80821
Ar 0.59637 -0.61602 0.21355
Ar -0.54839 -0.20980 1.62730
Ar 0.85924 -2.07548 0.21194
Ar 1.31298 0.66570 1.07777
Ar -0.94102 0.34616 0.31664
Ar 0.80374 -0.16534 -0.26960
Ar 0.57143 2.10487 -0.36603
Ar -1.52541 -0.80372 0.49460
Ar -0.34852 -0.80786 0.21687
Ar -0.20406 -0.34417 1.81235
Ar 0.61310 1.74011 1.22550
Ar 1.80815 0.82892 1.10555
Ar -1.13109 -0.31706 0.41797
Ar 1.00007 -0.87892 -0.51471
Ar 0.81021 -1.02439 0.35565
Ar -0.92543 1.07211 -1.84380
Ar -0.13640 0.97354 0.47320
Ar 1.42409 -0.34235 1.01000
Ar 0.39408 1.41824 -1.22102
Ar 0.42120 -1.23452 -0.13617
Ar 1.03332 -0.55968 1.88203
Ar 0.01417 -0.81514 0.04024
Ar 0.84319 1.10879 -0.47453
Ar 0.66141 -1.08189 0.98644
Ar 1.00544 2.08269 -0.37392
Ar -0.88536 -0.98090 -0.86943
Ar 1.88007 0.78913 -1.03471
Ar -0.73381 0.80776 2.02025
Ar -0.91857 -1.98673 0.51271
Ar -0.40536 0.09737 0.47090
Ar -0.19856 -0.93788 1.70322
Ar 0.47773 1.43799 0.37871
Ar -0.87157 0.18629 0.62134
Ar -0.48296 1.21748 0.90060
Ar -0.12418 0.10933 0.69025
Ar 1.00600 -1.05152 1.19994
Ar 0.53701 -0.52658 1.08449
Ar 0.72802 0.56497 1.16945
Ar -0.06602 0.30428 0.37838
Ar -1.47069 0.74535 1.57600
Ar -0.88327 1.72273 0.79199
Ar -0.43935 -1.26406 1.14635
Ar -1.06929 1.59080 0.37048
Ar -1.59416 -0.06235 -1.11166
Ar -0.98076 -1.83489 -0.65524
Ar 1.21570 1.76178 0.05812
Ar -1.49033 -0.10170 1.65870
Ar -0.51556 0.57560 0.03630
Ar -0.91228 -0.79446 0.67531
Ar 0.08838 -0.62557 -0.35479
Ar 0.23119 -1.98058 -0.41847
Ar 1.88015 0.48922 0.41556
Ar 0.76420 0.29893 1.71799
Ar 0.71609 0.14469 2.08459
Ar 0.36073 -0.06962 1.72053
Ar 0.96110 -0.89056 -1.79648
Ar -0.24703 -1.08056 1.27919
Ar 1.65133 -0.53856 0.44914
Ar -0.09916 0.90295 0.96351
Ar -0.33836 1.74036 1.40118
Ar -1.26059 -1.55800 0.01350
Ar -1.00403 1.66684 -0.71160
Ar -1.80936 0.44183 -0.61977
Ar -0.18584 -0.02075 -0.37130
Ar 1.31593 1.08627 0.61330
Ar -1.09897 1.32370 0.79259
Ar 0.20919 -1.83429 0.54387
Ar -0.49778 -0.26839 0.45779
Ar 1.12048 -0.34503 0.02164
Ar 1.67501 0.49134 -1.51145
Ar 2.01350 -0.15375 0.91682
125
Energy =     1 kcal/mol
Ar -1.55462 -1.43590 -0.08074
Ar 1.86027 0.52976 -0.58178
Ar 0.87228 0.37245 -0.93699
Ar 0.03011 -0.43463 2.20403
Ar 0.16568 -0.59930 -1.52145
Ar -1.62291 -0.40446 0.58781
Ar -2.13971 0.45995 -0.08570
Ar -0.84467 -1.59711 1.14098
Ar 0.09681 1.54474 0.15881
Ar 0.60631 0.63489 0.51372
Ar 0.60205 0.36680 0.24176
Ar 0.67556 1.04727 -1.02713
Ar -1.53888 -1.01628 -1.34845
Ar 0.19794 -1.47096 0.64659
Ar 0.32743 -1.65394 -1.60311
Ar 0.12042 0.10900 1.56997
Ar -1.99567 0.61628 -0.99537
Ar 0.06853 -0.17270 -2.30747
Ar 1.12681 0.78768 0.55768
Ar -0.70071 -0.88893 -0.47688
Ar -1.68926 0.17975 -1.37413
Ar -1.22311 1.25948 0.16821
Ar 0.54743 2.02246 -0.80192
Ar -0.70315 0.00221 -2.16032
Ar 0.37209 1.65512 0.13844
Ar -1.54544 0.99412 -0.10815
Ar -0.69500 -0.20069 -1.87893
Ar -1.41487 -1.05281 -0.46588
Ar -0.86130 -0.18707 -0.54920
Ar 0.36669 -1.16231 0.44658
Ar 1.14855 1.22013 0.31514
Ar 0.22126 2.18997 -0.41063
Ar -0.66877 -1.77421 -0.76218
Ar 0.75386 0.81526 -0.72290
Ar -0.11266 -0.75109 -1.49732
Ar -0.79765 0.95075 0.33623
Ar -0.34791 -0.20602 -2.16622
Ar -1.22409 0.98084 1.66299
Ar -1.66972 -0.09027 -0.47161
Ar 1.48949 -0.69189 1.15073
Ar 2.31860 -0.23472 0.11441
Ar -1.41972 -0.15772 -1.49136
Ar -0.09559 -0.33400 -1.65589
Ar 0.55939 0.99557 -1.71737
Ar 1.83646 1.26673 0.39866
Ar -2.20976 0.12477 0.24627
Ar 0.80527 0.58008 -1.95985
Ar -0.56763 0.41050 -0.38464
Ar 0.12729 1.89310 -0.23268
Ar 0.89142 -1.73119 0.97234
Ar 0.08893 -0.79990 -0.83039
Ar 1.54865 -1.27176 1.09447
Ar -0.70425 0.60640 0.51811
Ar -0.45649 0.54931 -1.83652
Ar 0.51392 -0.59996 0.32289
Ar -0.52467 -0.23755 1.59613
Ar 0.94700 -2.08560 0.18285
Ar 1.27840 0.67225 0.93368
Ar -0.96730 0.38405 0.25959
Ar 0.71154 -0.15560 -0.28179
Ar 0.58925 2.05841 -0.29623
Ar -1.48490 -0.78545 0.37267
Ar -0.34712 -0.79884 0.24612
Ar -0.12674 -0.32215 1.83588
Ar 0.65400 1.81254 1.33266
Ar 1.78701 0.72726 1.07670
Ar -1.22080 -0.29535 0.43253
Ar 1.00240 -0.91503 -0.44147
Ar 0.76814 -1.03778 0.39209
Ar -1.01910 1.06447 -1.73161
Ar -0.14679 1.01647 0.59363
Ar 1.34268 -0.32631 0.86881
Ar 0.43487 1.42646 -1.19142
Ar 0.45625 -1.30034 -0.10957
Ar 1.09038 -0.62746 1.97763
Ar 0.01988 -0.77021 0.05899
Ar 0.63984 1.11551 -0.53966
Ar 0.66451 -1.08263 0.99407
Ar 0.89553 2.00174 -0.35534
Ar -0.80199 -0.98232 -0.95272
Ar 1.90848 0.77434 -1.05042
Ar -0.66141 0.86802 2.00409
Ar -0.91746 -2.00933 0.45012
Ar -0.48075 0.16250 0.47543
Ar -0.12849 -0.95783 1.71446
Ar 0.45695 1.46437 0.38086
Ar -0.83452 0.17587 0.66172
Ar -0.41893 1.20547 0.82632
Ar -0.19142 0.06863 0.66212
Ar 1.03498 -1.17365 1.18263
Ar 0.47717 -0.54257 1.05014
Ar 0.86327 0.63035 1.08854
Ar -0.05636 0.35681 0.33751
Ar -1.53572 0.74758 1.56600
Ar -0.98690 1.68959 0.87138
Ar -0.46826 -1.21467 0.98175
Ar -1.02313 1.59793 0.29699
Ar -1.54811 -0.04037 -1.01951
Ar -0.96010 -1.86817 -0.62556
Ar 1.07515 1.83527 -0.01928
Ar -1.48210 -0.07184 1.66119
Ar -0.53413 0.71511 0.02568
Ar -0.98617 -0.79113 0.74654
Ar 0.09182 -0.57172 -0.47334
Ar 0.11093 -1.98685 -0.45368
Ar 1.91382 0.53989 0.36231
Ar 0.81581 0.32519 1.73201
Ar 0.64734 0.16808 1.97710
Ar 0.44493 -0.13904 1.73752
Ar 1.00867 -0.96299 -1.84589
Ar -0.11118 -1.08455 1.35631
Ar 1.74535 -0.61840 0.42963
Ar -0.15946 0.95636 0.92397
Ar -0.13992 1.86758 1.38557
Ar -1.12224 -1.62010 -0.02199
Ar -1.05489 1.62083 -0.82292
Ar -1.67517 0.41520 -0.74614
Ar -0.21726 0.12180 -0.46292
Ar 1.27805 1.18329 0.60173
Ar -1.20911 1.32372 0.80426
Ar 0.18353 -1.80018 0.45322
Ar -0.25521 -0.28793 0.48236
Ar 1.14117 -0.47510 -0.01537
Ar 1.54512 0.39721 -1.61040
Ar 2.01735 -0.20065 0.91222
125
Energy =     1 kcal/mol
Ar -1.59394 -1.44570 -0.09280
Ar 1.78368 0.54029 -0.66241
Ar 0.88062 0.45079 -0.94567
Ar -0.01622 -0.64171 2.19107
Ar 0.24414 -0.52244 -1.53156
Ar -1.71194 -0.31652 0.50028
Ar -2.13943 0.53445 0.03018
Ar -0.81207 -1.56213 1.16022
Ar 0.04120 1.54471 0.09162
Ar 0.62770 0.74758 0.52914
Ar 0.68769 0.39114 0.36263
Ar 0.73851 0.91944 -1.05985
Ar -1.52269 -1.13614 -1.32123
Ar 0.26296 -1.40401 0.69568
Ar 0.33845 -1.61030 -1.55706
Ar 0.15795 0.09045 1.55399
Ar -1.99870 0.55771 -0.94173
Ar 0.02279 -0.18927 -2.27511
Ar 1.18588 0.80947 0.53495
Ar -0.76573 -0.83391 -0.43767
Ar -1.76178 0.18507 -1.29926
Ar -1.18391 1.12942 0.06336
Ar 0.57636 2.04869 -0.81491
Ar -0.63681 -0.01587 -2.23797
Ar 0.46749 1.76762 0.11937
Ar -1.44475 1.13085 -0.11237
Ar -0.69540 -0.06249 -1.83100
Ar -1.51444 -1.02390 -0.56456
Ar -0.90362 -0.12013 -0.62986
Ar 0.36852 -1.11959 0.57807
Ar 1.19750 1.31807 0.22894
Ar 0.31514 2.18718 -0.45355
Ar -0.65301 -1.85205 -0.79121
Ar 0.88953 0.95852 -0.71197
Ar -0.14256 -0.72792 -1.49632
Ar -0.72655 0.93854 0.41072
Ar -0.33385 -0.26127 -2.14020
Ar -1.28108 0.90154 1.69997
Ar -1.74107 -0.14419 -0.42734
Ar 1.33013 -0.60737 1.09398
Ar 2.23799 -0.28321 0.05368
Ar -1.49588 -0.19690 -1.50662
Ar -0.07122 -0.36134 -1.57985
Ar 0.51433 1.06304 -1.75385
Ar 1.91174 1.26311 0.41355
Ar -2.33372 0.07890 0.25568
Ar 0.84736 0.51474 -1.87609
Ar -0.53619 0.42003 -0.39497
Ar 0.15931 1.82331 -0.15433
Ar 0.78641 -1.64135 1.14695
Ar 0.12352 -0.70574 -0.85652
Ar 1.57428 -1.20069 1.06996
Ar -0.71174 0.50119 0.44787
Ar -0.44578 0.51274 -1.86510
Ar 0.43166 -0.58820 0.43238
Ar -0.49626 -0.26627 1.56747
Ar 1.01773 -2.05976 0.15100
Ar 1.25180 0.66947 0.81121
Ar -0.98601 0.42402 0.20982
Ar 0.62008 -0.14673 -0.29302
Ar 0.46957 2.02220 -0.19362
Ar -1.44415 -0.76188 0.25345
Ar -0.33932 -0.78801 0.27295
Ar -0.04928 -0.30005 1.86144
Ar 0.63068 1.70795 1.30920
Ar 1.76322 0.62531 1.04670
Ar -1.31588 -0.27654 0.44946
Ar 1.00460 -0.95038 -0.36721
Ar 0.71748 -1.05064 0.42953
Ar -1.08531 1.02642 -1.56860
Ar -0.13028 1.06731 0.60019
Ar 1.26319 -0.31373 0.72973
Ar 0.47830 1.43085 -1.15981
Ar 0.49111 -1.36503 -0.08040
Ar 1.03991 -0.63314 1.87835
Ar 0.02149 -0.72509 0.08032
Ar 0.43619 1.12204 -0.60818
Ar 0.67247 -1.08398 1.00267
Ar 0.91404 1.89427 -0.39763
Ar -0.71767 -0.98312 -1.03213
Ar 1.86519 0.72889 -1.02446
Ar -0.58951 0.92836 1.98755
Ar -0.91654 -2.03129 0.38705
Ar -0.57197 0.23097 0.45787
Ar -0.06047 -0.97335 1.73494
Ar 0.45999 1.42304 0.46774
Ar -0.79988 0.16999 0.70004
Ar -0.38675 1.21896 0.75464
Ar -0.23535 0.02320 0.64433
Ar 1.06017 -1.29552 1.16132
Ar 0.41780 -0.56019 1.01531
Ar 0.99927 0.69639 1.00691
Ar -0.05236 0.40469 0.30167
Ar -1.51368 0.71178 1.47117
Ar -1.09395 1.65006 0.94803
Ar -0.50284 -1.17036 0.81422
Ar -0.96034 1.62457 0.23500
Ar -1.50377 -0.01370 -0.93298
Ar -0.98445 -1.91590 -0.57477
Ar 0.94247 1.90242 -0.05787
Ar -1.47380 -0.04183 1.66362
Ar -0.55679 0.85330 0.01924
Ar -1.06076 -0.78717 0.81677
Ar 0.09467 -0.51837 -0.59017
Ar -0.00938 -1.99294 -0.48879
Ar 1.94718 0.59089 0.30940
Ar 0.88706 0.37130 1.71135
Ar 0.55474 0.16624 1.90014
Ar 0.52718 -0.20093 1.75593
Ar 1.00436 -0.98560 -1.80101
Ar 0.03142 -1.08750 1.42733
Ar 1.83906 -0.69759 0.41081
Ar -0.21637 0.97536 0.99363
Ar 0.06806 1.86724 1.27540
Ar -0.97933 -1.68492 -0.05610
Ar -1.10575 1.57475 -0.93419
Ar -1.54450 0.38715 -0.87658
Ar -0.25242 0.26688 -0.55341
Ar 1.29737 1.25855 0.70325
Ar -1.31505 1.32965 0.81486
Ar 0.16311 -1.80503 0.34718
Ar -0.01296 -0.30136 0.50802
Ar 1.16025 -0.60542 -0.05333
Ar 1.41471 0.30314 -1.70873
Ar 2.02036 -0.24797 0.90722
125
Energy =     1 kcal/mol
Ar -1.63217 -1.45510 -0.10535
Ar 1.70464 0.54841 -0.73831
Ar 0.88881 0.53153 -0.95320
Ar -0.06271 -0.84116 2.15651
Ar 0.36931 -0.43360 -1.54197
Ar -1.79495 -0.22920 0.41097
Ar -2.13973 0.60684 0.14708
Ar -0.77883 -1.52634 1.17875
Ar -0.03541 1.52838 0.03239
Ar 0.65240 0.85666 0.54375
Ar 0.77284 0.42021 0.48559
Ar 0.79860 0.79518 -1.09674
Ar -1.45185 -1.21585 -1.24630
Ar 0.30455 -1.40270 0.77080
Ar 0.34529 -1.54586 -1.49094
Ar 0.19917 0.06852 1.54267
Ar -1.98848 0.49361 -0.88421
Ar -0.02055 -0.20004 -2.19187
Ar 1.21367 0.88797 0.40288
Ar -0.83084 -0.77897 -0.39954
Ar -1.82956 0.18840 -1.21903
Ar -1.06522 0.99729 0.01136
Ar 0.60269 2.07301 -0.82029
Ar -0.51973 -0.01333 -2.20759
Ar 0.58993 1.85260 0.14294
Ar -1.42053 1.27040 -0.16758
Ar -0.69504 0.05292 -1.73402
Ar -1.61382 -0.99547 -0.66275
Ar -0.94619 -0.05285 -0.71053
Ar 0.39441 -1.00886 0.68579
Ar 1.24598 1.41482 0.14450
Ar 0.38220 2.20109 -0.52863
Ar -0.63542 -1.92902 -0.82026
Ar 1.02398 1.09901 -0.69664
Ar -0.20796 -0.72303 -1.49215
Ar -0.65229 0.91910 0.48057
Ar -0.32998 -0.31407 -2.11109
Ar -1.30212 0.79710 1.69014
Ar -1.81161 -0.19739 -0.38463
Ar 1.17011 -0.52086 1.03340
Ar 2.12343 -0.32832 -0.00804
Ar -1.57383 -0.23304 -1.51917
Ar -0.05887 -0.38201 -1.50707
Ar 0.46973 1.13000 -1.78984
Ar 1.84747 1.16655 0.39860
Ar -2.20326 0.02618 0.23627
Ar 0.89011 0.44959 -1.79176
Ar -0.52236 0.43695 -0.39135
Ar 0.18230 1.74450 -0.07812
Ar 0.68460 -1.54580 1.32070
Ar 0.16584 -0.65622 -0.94630
Ar 1.59707 -1.12917 1.04581
Ar -0.78403 0.54771 0.38353
Ar -0.43565 0.47462 -1.89391
Ar 0.35088 -0.58557 0.54328
Ar -0.46530 -0.29520 1.54016
Ar 1.06710 -1.98957 0.11572
Ar 1.33721 0.60053 0.73687
Ar -1.01335 0.46073 0.15121
Ar 0.52842 -0.13832 -0.30414
Ar 0.38731 2.01582 -0.10871
Ar -1.40330 -0.73502 0.13600
Ar -0.32506 -0.77573 0.29742
Ar 0.02900 -0.27920 1.88719
Ar 0.59396 1.57183 1.26145
Ar 1.73718 0.52361 1.01534
Ar -1.41627 -0.26034 0.46670
Ar 1.00770 -0.98309 -0.29017
Ar 0.66683 -1.06287 0.46621
Ar -1.15148 0.98834 -1.40546
Ar -0.05789 1.09455 0.53032
Ar 1.18456 -0.30432 0.59421
Ar 0.52261 1.43342 -1.12712
Ar 0.52602 -1.42913 -0.04986
Ar 0.97187 -0.62838 1.74795
Ar 0.01886 -0.67997 0.10667
Ar 0.23600 1.12759 -0.67929
Ar 0.68168 -1.08784 1.00887
Ar 0.91009 1.79871 -0.53131
Ar -0.63324 -0.98355 -1.11044
Ar 1.82338 0.68553 -1.00281
Ar -0.51786 0.98868 1.97082
Ar -0.91574 -2.05204 0.32257
Ar -0.55330 0.15883 0.41969
Ar -0.00239 -0.97328 1.79449
Ar 0.46202 1.38228 0.55276
Ar -0.79172 0.16316 0.76129
Ar -0.41843 1.27534 0.70716
Ar -0.28196 -0.02094 0.62080
Ar 1.07971 -1.41853 1.13772
Ar 0.35879 -0.57955 0.97809
Ar 1.05465 0.77747 0.98610
Ar -0.05139 0.45067 0.26812
Ar -1.49091 0.67526 1.37513
Ar -1.20436 1.60517 1.02210
Ar -0.53780 -1.12609 0.64690
Ar -0.89851 1.64867 0.17302
Ar -1.46224 0.01719 -0.84813
Ar -1.01025 -1.96359 -0.52198
Ar 0.82753 1.96016 -0.00795
Ar -1.46545 -0.01158 1.66595
Ar -0.58329 0.99034 0.01984
Ar -1.13537 -0.78301 0.88623
Ar 0.08969 -0.42009 -0.64352
Ar -0.13003 -1.99883 -0.52394
Ar 1.98014 0.64252 0.25690
Ar 0.95613 0.41620 1.69042
Ar 0.46105 0.15901 1.81903
Ar 0.60676 -0.25587 1.77527
Ar 0.97234 -0.98150 -1.70609
Ar 0.18425 -1.10398 1.46061
Ar 1.93275 -0.77604 0.39223
Ar -0.26716 0.97349 1.11266
Ar 0.27844 1.84979 1.15351
Ar -0.83711 -1.75113 -0.09063
Ar -1.15661 1.52852 -1.04551
Ar -1.41832 0.35583 -1.01086
Ar -0.27051 0.40498 -0.65631
Ar 1.31600 1.32871 0.80262
Ar -1.41704 1.34062 0.82701
Ar 0.14349 -1.80702 0.24263
Ar 0.22452 -0.30781 0.53421
Ar 1.17765 -0.73838 -0.09349
Ar 1.28318 0.20962 -1.80716
Ar 2.02286 -0.29562 0.90180
125
Energy =     1 kcal/mol
Ar -1.67009 -1.46419 -0.11815
Ar 1.59275 0.51910 -0.74191
Ar 0.93748 0.49865 -0.88951
Ar -0.13016 -0.99778 2.08950
Ar 0.48874 -0.34507 -1.55146
Ar -1.85150 -0.15771 0.33470
Ar -2.14011 0.67789 0.26420
Ar -0.74542 -1.49019 1.19689
Ar -0.15927 1.46107 0.00183
Ar 0.67988 0.96253 0.55817
Ar 0.85782 0.45543 0.61000
Ar 0.81919 0.78705 -1.20258
Ar -1.37925 -1.29383 -1.16908
Ar 0.34744 -1.40182 0.84773
Ar 0.35215 -1.48128 -1.42482
Ar 0.22007 0.03194 1.50736
Ar -1.97509 0.42585 -0.83008
Ar -0.02803 -0.19552 -2.11814
Ar 1.24054 0.96734 0.27243
Ar -0.89610 -0.72396 -0.36149
Ar -1.89363 0.19403 -1.13301
Ar -0.93544 0.86280 -0.03456
Ar 0.62441 2.04446 -0.81361
Ar -0.38986 -0.00460 -2.12516
Ar 0.61422 1.82888 0.31603
Ar -1.40159 1.41008 -0.22637
Ar -0.69135 0.16967 -1.64176
Ar -1.71283 -0.96735 -0.76115
Ar -0.99145 0.01522 -0.79173
Ar 0.41886 -0.91377 0.82102
Ar 1.29422 1.51042 0.06147
Ar 0.43762 2.18694 -0.58241
Ar -0.62023 -2.00640 -0.84539
Ar 1.15654 1.23817 -0.68373
Ar -0.27376 -0.72043 -1.48691
Ar -0.57693 0.89724 0.54549
Ar -0.36285 -0.38606 -2.06913
Ar -1.32229 0.69057 1.67531
Ar -1.88153 -0.25015 -0.34235
Ar 1.00982 -0.43309 0.96934
Ar 2.00856 -0.37398 -0.06916
Ar -1.65236 -0.26773 -1.53037
Ar -0.04117 -0.40051 -1.43524
Ar 0.42530 1.19684 -1.82540
Ar 1.77867 1.06552 0.38246
Ar -2.07280 -0.01079 0.20089
Ar 0.93674 0.38201 -1.70755
Ar -0.52264 0.45869 -0.37601
Ar 0.21742 1.67567 -0.02375
Ar 0.58621 -1.44580 1.49126
Ar 0.20963 -0.61595 -1.05108
Ar 1.61850 -1.05780 1.02170
Ar -0.82901 0.62892 0.35385
Ar -0.42714 0.43258 -1.92247
Ar 0.31286 -0.68094 0.63616
Ar -0.43301 -0.32410 1.51347
Ar 1.11627 -1.91914 0.08044
Ar 1.44052 0.52838 0.65168
Ar -1.07311 0.48773 0.05904
Ar 0.43597 -0.13051 -0.31566
Ar 0.31850 2.09728 -0.09655
Ar -1.36253 -0.70663 0.01938
Ar -0.30617 -0.76338 0.32080
Ar 0.10928 -0.25692 1.91020
Ar 0.55330 1.43947 1.21163
Ar 1.70758 0.42273 0.98128
Ar -1.51919 -0.24516 0.48279
Ar 0.97697 -1.05470 -0.24103
Ar 0.62787 -1.07626 0.49561
Ar -1.21769 0.95071 -1.24183
Ar 0.01150 1.12315 0.46215
Ar 1.10569 -0.29685 0.46224
Ar 0.56704 1.43520 -1.09342
Ar 0.56073 -1.49313 -0.01814
Ar 0.90156 -0.62131 1.61751
Ar 0.01265 -0.63539 0.13826
Ar 0.03678 1.13349 -0.75110
Ar 0.68632 -1.09340 1.00939
Ar 0.90250 1.70564 -0.66426
Ar -0.54811 -0.98334 -1.18914
Ar 1.81402 0.67965 -1.05344
Ar -0.44629 1.04895 1.95393
Ar -0.91442 -2.07097 0.25560
Ar -0.53108 0.07509 0.37743
Ar 0.08042 -0.98110 1.79832
Ar 0.46374 1.33997 0.63683
Ar -0.78137 0.15731 0.81836
Ar -0.44832 1.32512 0.65819
Ar -0.32293 -0.06874 0.60222
Ar 1.09367 -1.54108 1.11489
Ar 0.29996 -0.59912 0.94541
Ar 1.09404 0.86282 0.97565
Ar -0.05223 0.49604 0.23556
Ar -1.46689 0.63922 1.28145
Ar -1.31620 1.55656 1.09358
Ar -0.57177 -1.08009 0.47834
Ar -0.83670 1.67152 0.11098
Ar -1.42001 0.04829 -0.76474
Ar -1.03102 -2.00919 -0.46924
Ar 0.83347 2.07903 -0.04845
Ar -1.45703 0.01906 1.66813
Ar -0.61505 1.12524 0.02603
Ar -1.20983 -0.77873 0.95521
Ar 0.08333 -0.31166 -0.68285
Ar -0.25217 -2.00446 -0.55971
Ar 2.01212 0.69603 0.20523
Ar 1.02330 0.45995 1.66981
Ar 0.39052 0.15780 1.76335
Ar 0.68419 -0.30668 1.79428
Ar 0.94012 -0.97735 -1.61109
Ar 0.33738 -1.12060 1.49327
Ar 2.02647 -0.85365 0.37353
Ar -0.31870 0.97368 1.22777
Ar 0.49279 1.82811 1.03290
Ar -0.69644 -1.82028 -0.12562
Ar -1.20748 1.48151 -1.15713
Ar -1.29633 0.32325 -1.14563
Ar -0.27501 0.53843 -0.77000
Ar 1.33406 1.39664 0.90031
Ar -1.51665 1.35424 0.84096
Ar 0.12469 -1.80783 0.13798
Ar 0.41049 -0.20039 0.55725
Ar 1.22829 -0.83262 -0.10510
Ar 1.14757 0.11881 -1.90503
Ar 2.02507 -0.34350 0.89603
125
Energy =     1 kcal/mol
Ar -1.70784 -1.47308 -0.13110
Ar 1.47765 0.48700 -0.74010
Ar 0.99439 0.44520 -0.81188
Ar -0.22555 -1.09197 1.98753
Ar 0.60523 -0.25704 -1.56001
Ar -1.81957 -0.18119 0.30525
Ar -2.14035 0.74834 0.38127
Ar -0.71195 -1.45387 1.21489
Ar -0.28542 1.39059 -0.02608
Ar 0.70712 1.07027 0.57412
Ar 0.94386 0.49407 0.73497
Ar 0.83243 0.79990 -1.32250
Ar -1.30701 -1.37132 -1.09121
Ar 0.39536 -1.39205 0.92518
Ar 0.35907 -1.41646 -1.35869
Ar 0.18965 -0.03856 1.40524
Ar -1.96134 0.36263 -0.76777
Ar -0.02473 -0.19542 -2.04494
Ar 1.26885 1.04715 0.14390
Ar -0.96263 -0.66884 -0.32247
Ar -1.95485 0.19421 -1.05472
Ar -0.80053 0.72578 -0.07448
Ar 0.68453 1.97383 -0.84860
Ar -0.26928 0.01460 -2.04004
Ar 0.62391 1.79824 0.49599
Ar -1.38186 1.54945 -0.28481
Ar -0.68421 0.28853 -1.55352
Ar -1.81128 -0.93959 -0.85988
Ar -1.04315 0.08495 -0.87381
Ar 0.44644 -0.90880 1.00904
Ar 1.34204 1.60471 -0.02099
Ar 0.44569 2.15144 -0.57251
Ar -0.59971 -2.07197 -0.86124
Ar 1.28723 1.37915 -0.67113
Ar -0.33842 -0.71602 -1.47855
Ar -0.50331 0.87662 0.60642
Ar -0.39828 -0.45977 -2.02453
Ar -1.34473 0.58269 1.65436
Ar -1.95117 -0.30225 -0.29914
Ar 0.84881 -0.34517 0.90300
Ar 1.89356 -0.42013 -0.12976
Ar -1.71972 -0.29981 -1.53072
Ar -0.02219 -0.42382 -1.36247
Ar 0.38098 1.26362 -1.86063
Ar 1.70981 0.96036 0.36431
Ar -2.12259 0.07120 0.06056
Ar 0.98599 0.31125 -1.62535
Ar -0.52133 0.48163 -0.36333
Ar 0.25537 1.61204 0.03033
Ar 0.51233 -1.40107 1.67568
Ar 0.25027 -0.57137 -1.15644
Ar 1.63957 -0.98640 0.99747
Ar -0.87013 0.71492 0.32199
Ar -0.42075 0.38342 -1.94978
Ar 0.24126 -0.69695 0.57363
Ar -0.39986 -0.35288 1.48699
Ar 1.16503 -1.84834 0.04512
Ar 1.54510 0.45704 0.57120
Ar -1.13044 0.51943 -0.03320
Ar 0.34184 -0.12357 -0.32868
Ar 0.25449 2.17465 -0.08541
Ar -1.32082 -0.67768 -0.09786
Ar -0.28772 -0.75390 0.34500
Ar 0.19262 -0.23128 1.92919
Ar 0.51138 1.31187 1.15743
Ar 1.67387 0.32357 0.94212
Ar -1.52949 -0.25448 0.55527
Ar 0.91303 -1.16203 -0.21607
Ar 0.58491 -1.08725 0.53288
Ar -1.28391 0.91443 -1.07780
Ar 0.07990 1.15368 0.39473
Ar 1.02578 -0.29006 0.33278
Ar 0.61245 1.43754 -1.05814
Ar 0.59486 -1.55732 0.01443
Ar 0.82761 -0.60976 1.48903
Ar 0.00502 -0.59164 0.17343
Ar -0.16240 1.13892 -0.82300
Ar 0.72762 -1.13204 1.02230
Ar 0.89172 1.61430 -0.79929
Ar -0.46061 -0.98063 -1.27032
Ar 1.80683 0.67668 -1.10960
Ar -0.37470 1.10914 1.93666
Ar -0.91168 -2.08813 0.18572
Ar -0.53898 0.01291 0.30794
Ar 0.20237 -0.99950 1.72217
Ar 0.46631 1.29434 0.72052
Ar -0.76774 0.15086 0.87114
Ar -0.47746 1.36850 0.60639
Ar -0.33671 -0.13540 0.61371
Ar 1.10588 -1.66237 1.09232
Ar 0.23637 -0.59218 0.99493
Ar 1.13393 0.94763 0.96200
Ar -0.05421 0.54150 0.20354
Ar -1.44056 0.60383 1.19385
Ar -1.37324 1.44534 1.12067
Ar -0.60196 -1.02968 0.30788
Ar -0.77409 1.69221 0.04874
Ar -1.37274 0.08191 -0.68523
Ar -1.02567 -2.00991 -0.40562
Ar 0.83846 2.18094 -0.09794
Ar -1.44845 0.05053 1.67009
Ar -0.65026 1.25754 0.03410
Ar -1.28420 -0.77433 1.02393
Ar 0.07942 -0.20505 -0.72379
Ar -0.37852 -2.00980 -0.59733
Ar 2.04111 0.75313 0.15569
Ar 1.08998 0.50342 1.64902
Ar 0.37115 0.18369 1.77789
Ar 0.76162 -0.35961 1.81017
Ar 0.90760 -0.97310 -1.51600
Ar 0.46440 -1.07825 1.51217
Ar 2.11155 -0.92689 0.35330
Ar -0.37044 0.97420 1.34216
Ar 0.70829 1.80037 0.91331
Ar -0.55845 -1.89247 -0.16108
Ar -1.25838 1.43228 -1.26893
Ar -1.17556 0.28719 -1.27618
Ar -0.28176 0.67184 -0.87980
Ar 1.35135 1.46296 0.99755
Ar -1.61657 1.36762 0.85433
Ar 0.10722 -1.80749 0.03285
Ar 0.59354 -0.08817 0.58114
Ar 1.31143 -0.89157 -0.09175
Ar 1.00898 0.03153 -2.00010
Ar 2.02706 -0.39158 0.88998
125
Energy =     1 kcal/mol
Ar -1.74545 -1.48187 -0.14413
Ar 1.36316 0.45617 -0.74082
Ar 1.05213 0.39236 -0.73483
Ar -0.31570 -1.17141 1.85532
Ar 0.72121 -0.16896 -1.56840
Ar -1.86988 -0.18283 0.22147
Ar -2.10048 0.80400 0.49021
Ar -0.67844 -1.41743 1.23285
Ar -0.38948 1.32120 -0.05810
Ar 0.74535 1.17059 0.58445
Ar 1.03123 0.53494 0.86037
Ar 0.84618 0.81146 -1.44197
Ar -1.23497 -1.44854 -1.01309
Ar 0.44990 -1.37252 1.00349
Ar 0.36616 -1.35124 -1.29259
Ar 0.16019 -0.10932 1.30705
Ar -1.94885 0.32818 -0.65655
Ar 0.03718 -0.25140 -1.97188
Ar 1.30000 1.12746 0.01701
Ar -1.00195 -0.61092 -0.29386
Ar -2.01328 0.16483 -1.02505
Ar -0.67101 0.59046 -0.10279
Ar 0.74900 1.89497 -0.88474
Ar -0.20999 0.08032 -1.95214
Ar 0.61534 1.76540 0.65679
Ar -1.36164 1.68874 -0.34303
Ar -0.67659 0.40781 -1.46777
Ar -1.90801 -0.91130 -0.95798
Ar -1.09798 0.15687 -0.95909
Ar 0.42424 -0.87139 1.18015
Ar 1.38937 1.69754 -0.10347
Ar 0.45240 2.11641 -0.55745
Ar -0.59408 -2.03369 -0.90177
Ar 1.41440 1.52231 -0.65910
Ar -0.39154 -0.67791 -1.48815
Ar -0.43185 0.85844 0.66416
Ar -0.42811 -0.52674 -1.97897
Ar -1.36875 0.47227 1.62852
Ar -2.02080 -0.35263 -0.25389
Ar 0.68553 -0.25652 0.83424
Ar 1.77837 -0.46670 -0.19004
Ar -1.70318 -0.31694 -1.45590
Ar -0.02838 -0.44289 -1.30004
Ar 0.33303 1.31659 -1.87585
Ar 1.64185 0.85131 0.34264
Ar -2.17079 0.15098 -0.08003
Ar 1.03514 0.23807 -1.54597
Ar -0.51721 0.50380 -0.35572
Ar 0.29223 1.54885 0.08554
Ar 0.45449 -1.39483 1.83123
Ar 0.31167 -0.53381 -1.25321
Ar 1.66071 -0.91470 0.97301
Ar -0.90907 0.80120 0.28266
Ar -0.41948 0.33549 -1.97461
Ar 0.16883 -0.71413 0.50678
Ar -0.36579 -0.38142 1.46038
Ar 1.21297 -1.77691 0.00973
Ar 1.65127 0.38564 0.49630
Ar -1.18150 0.55436 -0.12256
Ar 0.24521 -0.11745 -0.34521
Ar 0.19311 2.24972 -0.07636
Ar -1.30654 -0.65122 -0.20443
Ar -0.27395 -0.74883 0.37038
Ar 0.27880 -0.20132 1.94422
Ar 0.47047 1.18399 1.10722
Ar 1.63769 0.22674 0.89658
Ar -1.45822 -0.28508 0.67997
Ar 0.85095 -1.26885 -0.18893
Ar 0.53901 -1.09671 0.57777
Ar -1.34995 0.87922 -0.91433
Ar 0.14923 1.18593 0.32785
Ar 0.94380 -0.28260 0.20570
Ar 0.62963 1.42774 -1.03871
Ar 0.62899 -1.62092 0.04664
Ar 0.75042 -0.59625 1.36417
Ar 0.00081 -0.54793 0.21210
Ar -0.36232 1.14088 -0.89516
Ar 0.81278 -1.21169 1.04816
Ar 0.90930 1.54006 -0.91740
Ar -0.37954 -1.00635 -1.33293
Ar 1.79766 0.67262 -1.16360
Ar -0.30316 1.16901 1.91819
Ar -0.90751 -2.10406 0.11277
Ar -0.54844 -0.04774 0.23827
Ar 0.28653 -1.01479 1.67531
Ar 0.45759 1.25917 0.80334
Ar -0.75259 0.14369 0.92214
Ar -0.50639 1.40735 0.55218
Ar -0.34980 -0.20296 0.62632
Ar 1.09862 -1.75350 1.05147
Ar 0.17356 -0.58404 1.04623
Ar 1.17273 1.03236 0.94636
Ar -0.05709 0.58756 0.17183
Ar -1.41303 0.56820 1.11124
Ar -1.40466 1.30912 1.13147
Ar -0.62699 -0.97452 0.13783
Ar -0.70934 1.71009 -0.01403
Ar -1.32413 0.11620 -0.60760
Ar -1.00666 -1.99019 -0.33609
Ar 0.76915 2.09536 -0.13975
Ar -1.43929 0.08495 1.67166
Ar -0.70846 1.38820 0.04976
Ar -1.35855 -0.76970 1.09241
Ar 0.07818 -0.09879 -0.76253
Ar -0.45777 -1.99816 -0.55531
Ar 2.06509 0.81300 0.10927
Ar 1.15646 0.54681 1.62797
Ar 0.34947 0.20328 1.79141
Ar 0.83822 -0.41575 1.82095
Ar 0.87459 -0.96879 -1.42079
Ar 0.59780 -0.95524 1.47183
Ar 2.03449 -0.92843 0.30628
Ar -0.42216 0.97502 1.45725
Ar 0.94052 1.76973 0.81260
Ar -0.42233 -1.96698 -0.19984
Ar -1.28670 1.35640 -1.35672
Ar -1.05206 0.24949 -1.40246
Ar -0.28846 0.80819 -0.98792
Ar 1.36594 1.52600 1.09320
Ar -1.68128 1.34876 0.84554
Ar 0.09100 -1.80621 -0.07257
Ar 0.77944 0.02087 0.60628
Ar 1.39167 -0.95239 -0.07924
Ar 0.86938 -0.05311 -2.09095
Ar 2.02870 -0.43999 0.88379
125
Energy =     1 kcal/mol
Ar -1.76469 -1.47524 -0.15567
Ar 1.37390 0.45502 -0.74991
Ar 0.98512 0.31027 -0.65033
Ar -0.40498 -1.25067 1.72241
Ar 0.83886 -0.07856 -1.57765
Ar -1.92130 -0.18429 0.13467
Ar -2.01523 0.84302 0.58965
Ar -0.64473 -1.38078 1.25106
Ar -0.44531 1.25135 -0.10281
Ar 0.79053 1.26803 0.59171
Ar 1.11957 0.57766 0.98575
Ar 0.86018 0.82224 -1.56137
Ar -1.16288 -1.52576 -0.93482
Ar 0.50995 -1.34587 1.08151
Ar 0.37364 -1.28531 -1.22663
Ar 0.13095 -0.18293 1.20936
Ar -1.93669 0.29397 -0.54339
Ar 0.09940 -0.31001 -1.89797
Ar 1.33276 1.20810 -0.10881
Ar -0.92612 -0.54027 -0.30567
Ar -2.07069 0.13433 -0.99613
Ar -0.60883 0.49072 -0.02271
Ar 0.81172 1.81195 -0.91888
Ar -0.11980 0.10432 -1.86084
Ar 0.57240 1.72845 0.78374
Ar -1.34097 1.82791 -0.40106
Ar -0.67309 0.52463 -1.38240
Ar -1.87733 -0.82323 -0.99144
Ar -1.15508 0.22981 -1.04525
Ar 0.37910 -0.82581 1.32565
Ar 1.43626 1.78866 -0.18719
Ar 0.46266 2.07943 -0.54113
Ar -0.61254 -1.97035 -0.98420
Ar 1.53291 1.65905 -0.64353
Ar -0.43633 -0.60948 -1.51500
Ar -0.36109 0.84179 0.72022
Ar -0.45511 -0.59229 -1.92970
Ar -1.38704 0.39817 1.59217
Ar -2.08971 -0.40016 -0.20556
Ar 0.52188 -0.16890 0.76623
Ar 1.66271 -0.51414 -0.24985
Ar -1.67919 -0.33251 -1.37400
Ar -0.06950 -0.45348 -1.24994
Ar 0.27171 1.31755 -1.81655
Ar 1.57606 0.73891 0.31914
Ar -2.21638 0.22791 -0.22098
Ar 1.08171 0.16273 -1.46737
Ar -0.45049 0.49171 -0.45248
Ar 0.32952 1.48670 0.14143
Ar 0.34899 -1.26130 1.79826
Ar 0.40422 -0.50675 -1.34019
Ar 1.68256 -0.84204 0.94816
Ar -0.94581 0.88585 0.23872
Ar -0.45278 0.32943 -2.00084
Ar 0.09919 -0.74186 0.45198
Ar -0.33025 -0.40963 1.43312
Ar 1.25942 -1.70453 -0.02575
Ar 1.75687 0.31585 0.42630
Ar -1.22764 0.59040 -0.21089
Ar 0.14626 -0.11115 -0.36699
Ar 0.13328 2.31630 -0.06868
Ar -1.40725 -0.63745 -0.27011
Ar -0.26066 -0.74550 0.39663
Ar 0.36679 -0.16586 1.95573
Ar 0.43494 1.02972 1.16164
Ar 1.60111 0.13253 0.84476
Ar -1.38777 -0.31589 0.80403
Ar 0.78788 -1.37914 -0.15885
Ar 0.49162 -1.10604 0.62728
Ar -1.41574 0.84396 -0.75117
Ar 0.21878 1.21739 0.26238
Ar 0.86063 -0.27392 0.08088
Ar 0.54835 1.37625 -1.07115
Ar 0.66492 -1.68151 0.07637
Ar 0.66830 -0.57538 1.23524
Ar -0.00787 -0.49328 0.24015
Ar -0.57073 1.16241 -0.96028
Ar 0.88955 -1.29094 1.07416
Ar 1.02646 1.51316 -0.98162
Ar -0.30221 -1.05807 -1.37966
Ar 1.78772 0.66823 -1.21696
Ar -0.23245 1.22759 1.89693
Ar -0.90271 -2.11814 0.03529
Ar -0.55534 -0.11005 0.17312
Ar 0.34680 -0.99284 1.61895
Ar 0.43767 1.25667 0.78291
Ar -0.73670 0.13595 0.97231
Ar -0.53578 1.44405 0.49465
Ar -0.36495 -0.26978 0.63413
Ar 1.02971 -1.74714 0.95216
Ar 0.11522 -0.57778 1.09872
Ar 1.21006 1.11730 0.92979
Ar -0.06106 0.63437 0.14017
Ar -1.38511 0.53221 1.03142
Ar -1.43922 1.17309 1.13868
Ar -0.64878 -0.91645 -0.03062
Ar -0.63878 1.78869 -0.09210
Ar -1.27324 0.15168 -0.53416
Ar -0.98416 -1.97123 -0.26353
Ar 0.68990 1.99106 -0.18299
Ar -1.43604 0.08371 1.68060
Ar -0.81948 1.45688 0.09735
Ar -1.43291 -0.76443 1.16038
Ar 0.07909 0.00658 -0.79664
Ar -0.51659 -1.97449 -0.49111
Ar 2.08496 0.87323 0.06511
Ar 1.22280 0.59019 1.60649
Ar 0.32654 0.21596 1.80599
Ar 0.91286 -0.47354 1.82786
Ar 0.84066 -0.96452 -1.32538
Ar 0.77581 -0.85118 1.44675
Ar 1.92408 -0.91503 0.25393
Ar -0.47304 0.97704 1.57480
Ar 1.20726 1.73727 0.74675
Ar -0.27376 -2.04171 -0.20144
Ar -1.26971 1.23112 -1.39674
Ar -0.92391 0.21291 -1.52410
Ar -0.28709 0.92445 -1.10271
Ar 1.29650 1.49595 1.12039
Ar -1.65932 1.26112 0.79768
Ar 0.07374 -1.80528 -0.17835
Ar 0.96609 0.12904 0.63013
Ar 1.47174 -1.01302 -0.06680
Ar 0.72938 -0.13756 -2.17918
Ar 2.02939 -0.48930 0.87754
125
Energy =     1 kcal/mol
Ar -1.74863 -1.43903 -0.16422
Ar 1.41193 0.46086 -0.76182
Ar 0.89107 0.22132 -0.56364
Ar -0.49478 -1.33027 1.58736
Ar 0.92188 -0.01615 -1.61096
Ar -1.97510 -0.18781 0.04278
Ar -1.92853 0.88332 0.68976
Ar -0.60994 -1.34351 1.27130
Ar -0.50484 1.18429 -0.14473
Ar 0.83127 1.36686 0.60328
Ar 1.20845 0.62133 1.11098
Ar 0.87418 0.83274 -1.68057
Ar -1.09035 -1.60331 -0.85638
Ar 0.57252 -1.31541 1.15817
Ar 0.38216 -1.21810 -1.16103
Ar 0.10259 -0.25314 1.11063
Ar -1.92297 0.25745 -0.43284
Ar 0.15866 -0.36483 -1.82257
Ar 1.36611 1.29001 -0.23475
Ar -0.85037 -0.47152 -0.31624
Ar -2.09132 0.10283 -0.94674
Ar -0.55151 0.39427 0.06615
Ar 0.87067 1.72969 -0.95181
Ar -0.02689 0.12180 -1.77025
Ar 0.53080 1.68543 0.90962
Ar -1.25464 1.87468 -0.43814
Ar -0.67260 0.63784 -1.29834
Ar -1.79165 -0.70924 -0.99720
Ar -1.21175 0.30288 -1.13124
Ar 0.33123 -0.66469 1.28516
Ar 1.41484 1.79135 -0.26412
Ar 0.47605 2.04096 -0.52111
Ar -0.63050 -1.90657 -1.06250
Ar 1.46825 1.60017 -0.54940
Ar -0.47640 -0.54233 -1.54183
Ar -0.29038 0.82560 0.77537
Ar -0.48075 -0.65786 -1.87636
Ar -1.38939 0.42198 1.53108
Ar -2.15621 -0.44403 -0.15308
Ar 0.35877 -0.08105 0.69896
Ar 1.54658 -0.56328 -0.30870
Ar -1.65550 -0.34839 -1.29127
Ar -0.11037 -0.46605 -1.20337
Ar 0.21011 1.31665 -1.75449
Ar 1.51289 0.62283 0.29600
Ar -2.26255 0.30400 -0.36238
Ar 1.16200 0.11531 -1.36538
Ar -0.37915 0.47723 -0.55666
Ar 0.40933 1.52615 0.15556
Ar 0.25714 -1.25217 1.83623
Ar 0.49337 -0.47920 -1.42731
Ar 1.70716 -0.76668 0.92247
Ar -0.98124 0.97048 0.19293
Ar -0.48709 0.32487 -2.02539
Ar 0.06955 -0.79789 0.42662
Ar -0.29158 -0.43767 1.40383
Ar 1.30382 -1.63101 -0.06128
Ar 1.85930 0.24879 0.35911
Ar -1.27303 0.62554 -0.30084
Ar 0.04621 -0.10342 -0.39407
Ar 0.06832 2.26967 -0.05857
Ar -1.50684 -0.62305 -0.33558
Ar -0.27211 -0.73598 0.41947
Ar 0.45472 -0.12473 1.96412
Ar 0.40018 0.87403 1.22248
Ar 1.56470 0.04039 0.78875
Ar -1.31738 -0.34770 0.92900
Ar 0.72491 -1.49072 -0.12814
Ar 0.44351 -1.11555 0.67998
Ar -1.48077 0.80750 -0.58693
Ar 0.24690 1.14712 0.24123
Ar 0.77728 -0.26487 -0.04329
Ar 0.47027 1.32734 -1.10275
Ar 0.70225 -1.74142 0.10562
Ar 0.58135 -0.53850 1.09629
Ar -0.03335 -0.41404 0.24496
Ar -0.78166 1.19045 -1.02324
Ar 0.96338 -1.37233 1.09951
Ar 1.14412 1.48373 -1.04591
Ar -0.22537 -1.10528 -1.42761
Ar 1.77725 0.66361 -1.26985
Ar -0.16408 1.28369 1.87249
Ar -0.86606 -2.13970 0.01771
Ar -0.56068 -0.17317 0.11024
Ar 0.39130 -0.94908 1.65572
Ar 0.42254 1.25986 0.75119
Ar -0.72053 0.12777 1.02202
Ar -0.56741 1.47992 0.43262
Ar -0.37942 -0.33837 0.63789
Ar 0.95782 -1.73418 0.85263
Ar 0.05738 -0.57816 1.15370
Ar 1.24652 1.19867 0.90901
Ar -0.06651 0.68169 0.10840
Ar -1.35716 0.49645 0.95329
Ar -1.47736 1.03766 1.14005
Ar -0.67078 -0.85577 -0.19922
Ar -0.56680 1.87605 -0.17254
Ar -1.22184 0.18970 -0.46223
Ar -0.97699 -1.91511 -0.25355
Ar 0.60743 1.88734 -0.23004
Ar -1.44860 -0.01496 1.71227
Ar -0.92607 1.51186 0.14949
Ar -1.50703 -0.75789 1.22737
Ar 0.08071 0.11007 -0.82554
Ar -0.58865 -1.94979 -0.45301
Ar 2.10313 0.93303 0.02179
Ar 1.28888 0.63357 1.58374
Ar 0.30423 0.22209 1.82265
Ar 0.98572 -0.53276 1.83224
Ar 0.80472 -0.96048 -1.22974
Ar 0.95969 -0.76856 1.44306
Ar 1.81158 -0.90178 0.20032
Ar -0.52154 0.98144 1.69531
Ar 1.46343 1.68963 0.67999
Ar -0.11332 -2.11569 -0.17803
Ar -1.25222 1.10526 -1.43608
Ar -0.79281 0.18033 -1.64194
Ar -0.28402 1.03308 -1.21993
Ar 1.19575 1.43829 1.12249
Ar -1.63407 1.16994 0.75451
Ar 0.05352 -1.80594 -0.28457
Ar 1.15214 0.23612 0.65540
Ar 1.55376 -1.07202 -0.05347
Ar 0.57404 -0.21823 -2.21666
Ar 2.02702 -0.54120 0.87161
125
Energy =     1 kcal/mol
Ar -1.73224 -1.40258 -0.17283
Ar 1.44880 0.46620 -0.77399
Ar 0.79818 0.13255 -0.47718
Ar -0.54918 -1.41736 1.56987
Ar 0.97441 0.02323 -1.66678
Ar -2.02521 -0.18535 -0.04786
Ar -1.85488 0.91332 0.79313
Ar -0.61016 -1.29847 1.17395
Ar -0.56589 1.11788 -0.18478
Ar 0.86689 1.46529 0.61944
Ar 1.29774 0.66532 1.23724
Ar 0.88810 0.84316 -1.79956
Ar -1.01640 -1.68193 -0.77762
Ar 0.63969 -1.28392 1.23245
Ar 0.39348 -1.14855 -1.09619
Ar 0.08510 -0.27105 1.00524
Ar -1.88912 0.21774 -0.32902
Ar 0.21889 -0.41745 -1.74520
Ar 1.39030 1.29428 -0.27399
Ar -0.77228 -0.40711 -0.32424
Ar -2.08261 0.07027 -0.88159
Ar -0.49283 0.29744 0.15432
Ar 0.92864 1.64692 -0.98429
Ar 0.06518 0.13710 -1.68064
Ar 0.48970 1.63600 1.03225
Ar -1.10827 1.83563 -0.45541
Ar -0.67229 0.75126 -1.21457
Ar -1.70549 -0.59426 -1.00308
Ar -1.26772 0.37621 -1.21710
Ar 0.33081 -0.49945 1.25396
Ar 1.31901 1.75538 -0.27897
Ar 0.48176 2.01541 -0.52153
Ar -0.64939 -1.84215 -1.13892
Ar 1.37617 1.52717 -0.57612
Ar -0.51296 -0.46864 -1.55024
Ar -0.21948 0.80950 0.82999
Ar -0.50581 -0.72991 -1.83847
Ar -1.39198 0.44363 1.46943
Ar -2.22574 -0.49280 -0.10321
Ar 0.19390 0.00444 0.63444
Ar 1.43053 -0.61408 -0.36634
Ar -1.63228 -0.36469 -1.20768
Ar -0.15273 -0.47925 -1.16003
Ar 0.14860 1.31554 -1.69177
Ar 1.45140 0.50385 0.27417
Ar -2.21032 0.36451 -0.47788
Ar 1.27205 0.09076 -1.24062
Ar -0.30745 0.46215 -0.66009
Ar 0.49706 1.58284 0.16296
Ar 0.16568 -1.24348 1.87425
Ar 0.58044 -0.45139 -1.51609
Ar 1.72204 -0.69499 0.89758
Ar -1.01548 1.05726 0.14613
Ar -0.52155 0.31832 -2.04616
Ar 0.08024 -0.85627 0.40400
Ar -0.25483 -0.46065 1.37823
Ar 1.34684 -1.55617 -0.09665
Ar 1.95851 0.18345 0.29309
Ar -1.27834 0.63045 -0.36639
Ar -0.05392 -0.09372 -0.42469
Ar 0.00298 2.20259 -0.04850
Ar -1.60631 -0.60818 -0.40117
Ar -0.32127 -0.71224 0.43967
Ar 0.54062 -0.07863 1.96986
Ar 0.36554 0.71925 1.28199
Ar 1.52560 -0.04865 0.73004
Ar -1.24756 -0.38086 1.05528
Ar 0.66420 -1.57747 -0.12116
Ar 0.39481 -1.12443 0.73457
Ar -1.58478 0.79581 -0.44829
Ar 0.26799 1.05971 0.22834
Ar 0.69386 -0.25544 -0.16769
Ar 0.39348 1.27949 -1.13432
Ar 0.73878 -1.82629 0.15873
Ar 0.53194 -0.48512 0.92299
Ar -0.06407 -0.34128 0.25527
Ar -0.99097 1.21645 -1.08796
Ar 1.03155 -1.45717 1.12222
Ar 1.26163 1.45405 -1.10912
Ar -0.14850 -1.15073 -1.47572
Ar 1.76618 0.65871 -1.32220
Ar -0.09816 1.33760 1.84657
Ar -0.79601 -2.13456 0.03457
Ar -0.56480 -0.23673 0.04778
Ar 0.43605 -0.94502 1.75424
Ar 0.41347 1.26789 0.71780
Ar -0.70436 0.11924 1.07144
Ar -0.60344 1.51548 0.36616
Ar -0.39057 -0.41116 0.63682
Ar 0.88546 -1.71548 0.75667
Ar -0.08994 -0.61682 1.17010
Ar 1.29196 1.23094 0.84216
Ar -0.07292 0.72972 0.07693
Ar -1.32963 0.46193 0.87692
Ar -1.51814 0.90244 1.13458
Ar -0.69485 -0.78955 -0.36882
Ar -0.49562 1.96172 -0.25190
Ar -1.17147 0.23280 -0.38929
Ar -0.97725 -1.83463 -0.28267
Ar 0.53197 1.76930 -0.25506
Ar -1.46076 -0.11105 1.74253
Ar -1.02670 1.56463 0.20354
Ar -1.58030 -0.74957 1.29318
Ar 0.08142 0.21185 -0.85033
Ar -0.66385 -1.92550 -0.41139
Ar 2.08201 0.97503 -0.02142
Ar 1.35447 0.67696 1.55832
Ar 0.28431 0.22265 1.84130
Ar 1.05757 -0.59456 1.83157
Ar 0.76484 -0.95751 -1.13393
Ar 1.13977 -0.68286 1.44227
Ar 1.70360 -0.87855 0.15540
Ar -0.56754 0.98794 1.81712
Ar 1.59356 1.49748 0.55852
Ar 0.04338 -2.19122 -0.15531
Ar -1.23378 0.97928 -1.47452
Ar -0.65923 0.15019 -1.76075
Ar -0.28405 1.14137 -1.33653
Ar 1.08439 1.43140 1.16653
Ar -1.59220 1.08675 0.71465
Ar 0.03492 -1.80431 -0.39127
Ar 1.34249 0.34220 0.68180
Ar 1.63038 -1.14021 -0.04958
Ar 0.40471 -0.29536 -2.20739
Ar 2.03397 -0.58918 0.86436
125
Energy =     1 kcal/mol
Ar -1.71572 -1.36603 -0.18152
Ar 1.48548 0.47105 -0.78727
Ar 0.70524 0.04326 -0.38988
Ar -0.58967 -1.50892 1.60122
Ar 1.02808 0.06260 -1.71994
Ar -2.07069 -0.17528 -0.13855
Ar -1.84599 0.89440 0.91464
Ar -0.62390 -1.24855 1.02772
Ar -0.62828 1.05142 -0.22308
Ar 0.90017 1.56182 0.63851
Ar 1.36676 0.70493 1.24936
Ar 0.90196 0.85349 -1.91839
Ar -0.93950 -1.76284 -0.69544
Ar 0.71161 -1.25383 1.30421
Ar 0.40662 -1.07733 -1.03214
Ar 0.07304 -0.28987 0.90028
Ar -1.85615 0.17612 -0.22611
Ar 0.28403 -0.46848 -1.66671
Ar 1.40147 1.17649 -0.17559
Ar -0.69137 -0.34609 -0.32995
Ar -2.07371 0.03962 -0.81295
Ar -0.43337 0.19911 0.24191
Ar 0.99201 1.56100 -1.01721
Ar 0.15714 0.15065 -1.59131
Ar 0.44965 1.58259 1.15143
Ar -0.96119 1.79642 -0.47216
Ar -0.67219 0.86656 -1.13094
Ar -1.64938 -0.57816 -0.91725
Ar -1.32320 0.45052 -1.30313
Ar 0.32205 -0.33886 1.23768
Ar 1.21704 1.74481 -0.26276
Ar 0.48299 1.99966 -0.53553
Ar -0.66971 -1.77704 -1.21344
Ar 1.30128 1.55042 -0.77514
Ar -0.54734 -0.39433 -1.55469
Ar -0.14816 0.79336 0.88433
Ar -0.53032 -0.80219 -1.80234
Ar -1.39494 0.46559 1.40581
Ar -2.25229 -0.53562 -0.05439
Ar 0.02707 0.08534 0.57265
Ar 1.31484 -0.66576 -0.42299
Ar -1.57909 -0.28153 -1.21394
Ar -0.19642 -0.49242 -1.11913
Ar 0.08613 1.31377 -1.62687
Ar 1.39017 0.38249 0.25743
Ar -2.08223 0.41090 -0.58008
Ar 1.38051 0.06646 -1.11764
Ar -0.23290 0.44493 -0.76455
Ar 0.58480 1.63915 0.16723
Ar 0.07798 -1.23056 1.91028
Ar 0.66284 -0.42292 -1.60790
Ar 1.67985 -0.64388 0.87874
Ar -1.04815 1.14754 0.09867
Ar -0.54414 0.34105 -2.10724
Ar 0.08757 -0.91157 0.38335
Ar -0.28524 -0.41863 1.43668
Ar 1.39131 -1.47826 -0.13143
Ar 2.05595 0.11870 0.22761
Ar -1.22151 0.59455 -0.39686
Ar -0.15416 -0.08244 -0.45679
Ar -0.06306 2.13442 -0.03943
Ar -1.70643 -0.59277 -0.46778
Ar -0.35818 -0.71503 0.43640
Ar 0.62245 -0.02793 1.97320
Ar 0.33074 0.56450 1.34132
Ar 1.48439 -0.13266 0.67008
Ar -1.17868 -0.41498 1.18263
Ar 0.60379 -1.65888 -0.11945
Ar 0.34534 -1.13191 0.78923
Ar -1.75071 0.82212 -0.34538
Ar 0.28769 0.97255 0.21593
Ar 0.61034 -0.24543 -0.29309
Ar 0.31650 1.23204 -1.16687
Ar 0.77557 -1.91618 0.21796
Ar 0.49243 -0.42554 0.73615
Ar -0.09972 -0.27262 0.27073
Ar -1.20046 1.23976 -1.15510
Ar 1.09270 -1.54225 1.14272
Ar 1.37455 1.42743 -1.16780
Ar -0.07153 -1.19523 -1.52370
Ar 1.73545 0.64635 -1.35948
Ar -0.03340 1.39054 1.82041
Ar -0.72621 -2.12343 0.04520
Ar -0.56783 -0.30094 -0.01574
Ar 0.47743 -0.94456 1.85303
Ar 0.40791 1.27970 0.68390
Ar -0.68832 0.11035 1.12063
Ar -0.64500 1.55089 0.29678
Ar -0.40395 -0.45436 0.65529
Ar 0.81388 -1.69366 0.66357
Ar -0.17753 -0.71965 1.09473
Ar 1.33755 1.26264 0.77031
Ar -0.07789 0.77966 0.04669
Ar -1.30317 0.42956 0.80275
Ar -1.56162 0.76636 1.12143
Ar -0.71985 -0.71775 -0.53753
Ar -0.42383 2.04739 -0.33049
Ar -1.12174 0.27780 -0.31549
Ar -1.01072 -1.74313 -0.29911
Ar 0.46074 1.63937 -0.26135
Ar -1.47109 -0.20608 1.76996
Ar -1.12171 1.61354 0.25872
Ar -1.65230 -0.73972 1.35819
Ar 0.07871 0.31389 -0.87198
Ar -0.70567 -1.91478 -0.38141
Ar 2.02514 1.00082 -0.06451
Ar 1.44018 0.72489 1.64576
Ar 0.26860 0.21832 1.86168
Ar 1.13014 -0.65778 1.82443
Ar 0.72231 -0.95544 -1.03806
Ar 1.31803 -0.59589 1.44741
Ar 1.61007 -0.82298 0.13867
Ar -0.61234 0.99530 1.93902
Ar 1.69974 1.28042 0.43023
Ar 0.19989 -2.26260 -0.13497
Ar -1.21363 0.85363 -1.51012
Ar -0.53675 0.09016 -1.83830
Ar -0.28379 1.24897 -1.45360
Ar 0.97193 1.42753 1.21092
Ar -1.48084 1.04948 0.66429
Ar 0.01621 -1.80652 -0.49547
Ar 1.53658 0.44516 0.70474
Ar 1.68964 -1.24278 -0.07485
Ar 0.23440 -0.37306 -2.19490
Ar 2.06929 -0.60780 0.83902
125
Energy =     1 kcal/mol
Ar -1.69900 -1.32937 -0.19031
Ar 1.52188 0.47409 -0.80266
Ar 0.64847 0.06041 -0.32816
Ar -0.61681 -1.56607 1.59635
Ar 1.08129 0.10133 -1.77241
Ar -2.11489 -0.16545 -0.23015
Ar -1.84210 0.88019 1.03189
Ar -0.63703 -1.19848 0.88269
Ar -0.69227 0.98526 -0.25964
Ar 0.93264 1.65621 0.65843
Ar 1.42938 0.74299 1.22458
Ar 0.88442 0.83406 -1.96878
Ar -0.86688 -1.84148 -0.61620
Ar 0.78572 -1.22521 1.37456
Ar 0.36885 -1.02397 -0.96849
Ar 0.06534 -0.31154 0.79621
Ar -1.82862 0.13140 -0.12590
Ar 0.35247 -0.51797 -1.58932
Ar 1.41307 1.06043 -0.07747
Ar -0.62749 -0.29220 -0.39100
Ar -2.06402 0.01380 -0.74003
Ar -0.37337 0.09709 0.32819
Ar 0.99271 1.45925 -1.09753
Ar 0.24903 0.16310 -1.50193
Ar 0.41198 1.52721 1.26881
Ar -0.81313 1.75733 -0.48831
Ar -0.67249 0.98251 -1.04777
Ar -1.59939 -0.58310 -0.80915
Ar -1.37998 0.52467 -1.38830
Ar 0.30877 -0.17830 1.21354
Ar 1.11525 1.73167 -0.24869
Ar 0.48404 1.97958 -0.54606
Ar -0.69068 -1.71178 -1.28656
Ar 1.29494 1.58663 -0.92998
Ar -0.58008 -0.32249 -1.56148
Ar -0.07635 0.77701 0.93854
Ar -0.55440 -0.87070 -1.76323
Ar -1.39832 0.48937 1.33957
Ar -2.16635 -0.54714 -0.00423
Ar -0.14010 0.16032 0.51139
Ar 1.19934 -0.71777 -0.47895
Ar -1.51981 -0.17687 -1.23933
Ar -0.24096 -0.50529 -1.07967
Ar 0.03580 1.31043 -1.55977
Ar 1.33034 0.26083 0.24532
Ar -1.95091 0.45062 -0.68164
Ar 1.48921 0.04443 -0.99365
Ar -0.22140 0.44602 -0.85183
Ar 0.67179 1.69484 0.16756
Ar -0.00662 -1.21519 1.94549
Ar 0.74149 -0.39412 -1.70050
Ar 1.63547 -0.59235 0.85954
Ar -1.07902 1.24138 0.05144
Ar -0.55893 0.39046 -2.20306
Ar 0.09191 -0.96501 0.36560
Ar -0.31784 -0.37353 1.49754
Ar 1.42505 -1.40377 -0.16822
Ar 2.15264 0.05409 0.16244
Ar -1.17744 0.59348 -0.43731
Ar -0.25576 -0.07079 -0.48896
Ar -0.13224 2.06517 -0.03370
Ar -1.80760 -0.57644 -0.53641
Ar -0.38099 -0.76279 0.39630
Ar 0.69941 0.02611 1.97472
Ar 0.29560 0.40923 1.40114
Ar 1.44381 -0.21572 0.61026
Ar -1.11060 -0.44928 1.31072
Ar 0.54506 -1.74371 -0.11373
Ar 0.29492 -1.13795 0.84261
Ar -1.91525 0.84585 -0.24301
Ar 0.30280 0.88411 0.20255
Ar 0.49035 -0.34187 -0.39300
Ar 0.23781 1.18523 -1.20229
Ar 0.81043 -2.00108 0.27621
Ar 0.44645 -0.36448 0.55352
Ar -0.13978 -0.20254 0.29131
Ar -1.40954 1.26056 -1.22400
Ar 1.15013 -1.62577 1.16280
Ar 1.43333 1.35646 -1.17990
Ar 0.00535 -1.23899 -1.57151
Ar 1.69296 0.62942 -1.38741
Ar 0.03111 1.44308 1.79397
Ar -0.65693 -2.10906 0.05037
Ar -0.55005 -0.36155 -0.02517
Ar 0.51612 -0.94646 1.95172
Ar 0.40389 1.29287 0.64975
Ar -0.67232 0.10097 1.16964
Ar -0.69164 1.58589 0.22608
Ar -0.42169 -0.45062 0.70934
Ar 0.74272 -1.67272 0.56875
Ar -0.26044 -0.82180 1.01250
Ar 1.38292 1.29604 0.69685
Ar -0.07854 0.83194 0.01876
Ar -1.27827 0.39955 0.73113
Ar -1.59672 0.62277 1.10924
Ar -0.74422 -0.64006 -0.70305
Ar -0.34939 2.13309 -0.40605
Ar -1.06120 0.28887 -0.23149
Ar -1.07024 -1.64051 -0.31079
Ar 0.39123 1.51337 -0.26516
Ar -1.44280 -0.29569 1.75019
Ar -1.21174 1.65823 0.31296
Ar -1.70564 -0.72126 1.40862
Ar 0.13861 0.39620 -0.90992
Ar -0.71558 -1.92051 -0.34919
Ar 1.96695 1.02703 -0.10674
Ar 1.42561 0.72056 1.64640
Ar 0.25787 0.21088 1.88262
Ar 1.20501 -0.72025 1.81146
Ar 0.73019 -0.93510 -0.94227
Ar 1.49363 -0.50983 1.45773
Ar 1.51684 -0.76999 0.12036
Ar -0.64212 0.97999 2.01469
Ar 1.80334 1.06248 0.30297
Ar 0.35132 -2.29305 -0.11322
Ar -1.19126 0.72994 -1.54414
Ar -0.42181 0.00162 -1.87963
Ar -0.29435 1.35687 -1.56937
Ar 0.85795 1.42380 1.25252
Ar -1.37011 1.01051 0.61694
Ar -0.00225 -1.80975 -0.59863
Ar 1.72969 0.54646 0.72396
Ar 1.75856 -1.33880 -0.09675
Ar 0.06419 -0.45108 -2.17965
Ar 2.02496 -0.60168 0.78050
125
Energy =     1 kcal/mol
Ar -1.68192 -1.29269 -0.19925
Ar 1.55818 0.47292 -0.82066
Ar 0.59933 0.09987 -0.27075
Ar -0.60870 -1.53375 1.49963
Ar 1.13377 0.13934 -1.82460
Ar -2.15446 -0.15591 -0.32096
Ar -1.82273 0.86231 1.12976
Ar -0.64803 -1.14626 0.73815
Ar -0.75784 0.91938 -0.29530
Ar 0.96457 1.74897 0.67751
Ar 1.49233 0.78063 1.20476
Ar 0.81370 0.76420 -1.90210
Ar -0.84477 -1.89209 -0.61732
Ar 0.86055 -1.19730 1.44448
Ar 0.31036 -0.97700 -0.90559
Ar 0.05937 -0.33312 0.68918
Ar -1.80565 0.08256 -0.02860
Ar 0.42572 -0.56543 -1.51372
Ar 1.42808 0.94450 0.02196
Ar -0.58086 -0.24867 -0.47637
Ar -2.05268 -0.00841 -0.66298
Ar -0.48643 -0.03142 0.30706
Ar 0.91149 1.33617 -1.23495
Ar 0.34076 0.17518 -1.41196
Ar 0.37899 1.47027 1.38587
Ar -0.66415 1.71856 -0.50379
Ar -0.67278 1.09833 -0.96466
Ar -1.53133 -0.58732 -0.72271
Ar -1.49084 0.54537 -1.43078
Ar 0.29309 -0.01717 1.18671
Ar 1.01224 1.71806 -0.23412
Ar 0.48488 1.95735 -0.55504
Ar -0.71169 -1.64648 -1.35916
Ar 1.35176 1.61805 -1.00964
Ar -0.61057 -0.24962 -1.57088
Ar -0.00415 0.76030 0.99262
Ar -0.57803 -0.93776 -1.72327
Ar -1.36046 0.49183 1.31738
Ar -2.07780 -0.55316 0.04239
Ar -0.16943 0.28082 0.55773
Ar 1.08348 -0.77011 -0.53482
Ar -1.46084 -0.07294 -1.26328
Ar -0.28660 -0.51787 -1.04038
Ar 0.03886 1.30285 -1.49478
Ar 1.27122 0.13864 0.23442
Ar -1.82012 0.48529 -0.78240
Ar 1.59816 0.02713 -0.86798
Ar -0.26239 0.46040 -0.92602
Ar 0.75914 1.74942 0.16676
Ar -0.08974 -1.19335 1.97108
Ar 0.81508 -0.36599 -1.79164
Ar 1.59443 -0.53774 0.83764
Ar -1.10796 1.33826 0.00572
Ar -0.54552 0.41756 -2.18766
Ar 0.09401 -1.01712 0.35041
Ar -0.35024 -0.32853 1.55693
Ar 1.42923 -1.33813 -0.21102
Ar 2.24902 -0.01047 0.09744
Ar -1.13536 0.60008 -0.47973
Ar -0.34865 -0.05167 -0.52288
Ar -0.20451 1.99644 -0.03341
Ar -1.92786 -0.55782 -0.58323
Ar -0.40093 -0.80709 0.35943
Ar 0.77244 0.08181 1.97514
Ar 0.26015 0.25147 1.46282
Ar 1.40512 -0.30125 0.55196
Ar -1.04383 -0.48308 1.44014
Ar 0.48691 -1.83178 -0.10590
Ar 0.24341 -1.14293 0.89435
Ar -2.07962 0.86825 -0.14150
Ar 0.31187 0.79563 0.18696
Ar 0.36250 -0.46076 -0.48871
Ar 0.15827 1.13785 -1.23842
Ar 0.84270 -2.08047 0.33602
Ar 0.39440 -0.30273 0.37415
Ar -0.14609 -0.15796 0.31437
Ar -1.55798 1.23042 -1.24361
Ar 1.15150 -1.63078 1.12835
Ar 1.44162 1.23871 -1.15418
Ar 0.08205 -1.28220 -1.61911
Ar 1.64998 0.61219 -1.41435
Ar 0.09576 1.48351 1.75189
Ar -0.58800 -2.09289 0.05202
Ar -0.52205 -0.42080 -0.00886
Ar 0.55320 -0.94787 2.04729
Ar 0.40057 1.30620 0.61525
Ar -0.65617 0.09086 1.21858
Ar -0.74232 1.61981 0.15447
Ar -0.43390 -0.44994 0.76092
Ar 0.67242 -1.65592 0.47012
Ar -0.34524 -0.92191 0.92674
Ar 1.42770 1.32977 0.62265
Ar -0.07345 0.88502 -0.00627
Ar -1.25492 0.37147 0.66180
Ar -1.66179 0.49210 1.05444
Ar -0.76671 -0.55854 -0.86592
Ar -0.27256 2.21704 -0.47642
Ar -0.99816 0.29273 -0.14527
Ar -1.12350 -1.54344 -0.32683
Ar 0.32324 1.38986 -0.26789
Ar -1.40468 -0.38505 1.71712
Ar -1.29835 1.69957 0.36520
Ar -1.65407 -0.65761 1.37409
Ar 0.25077 0.46422 -0.96103
Ar -0.68066 -1.95008 -0.22929
Ar 1.90525 1.05360 -0.14518
Ar 1.31666 0.66893 1.53249
Ar 0.25114 0.20262 1.90125
Ar 1.26414 -0.77097 1.77046
Ar 0.75885 -0.90775 -0.84559
Ar 1.66731 -0.42531 1.46978
Ar 1.42364 -0.71776 0.10161
Ar -0.62166 0.88743 1.93277
Ar 1.90580 0.84404 0.17191
Ar 0.48451 -2.18735 -0.08441
Ar -1.11478 0.66026 -1.61993
Ar -0.30861 -0.08763 -1.92020
Ar -0.35753 1.46917 -1.68185
Ar 0.73893 1.42129 1.29330
Ar -1.25992 0.97039 0.57036
Ar -0.02071 -1.81309 -0.70136
Ar 1.92188 0.64809 0.74278
Ar 1.85071 -1.42011 -0.11182
Ar -0.10604 -0.52888 -2.16322
Ar 1.97339 -0.59475 0.72231
125
Energy =     1 kcal/mol
Ar -1.66397 -1.25616 -0.20848
Ar 1.59510 0.46631 -0.84021
Ar 0.54963 0.13828 -0.21342
Ar -0.59990 -1.49986 1.40152
Ar 1.18544 0.17675 -1.87658
Ar -2.20778 -0.16605 -0.37708
Ar -1.73935 0.80973 1.18947
Ar -0.65673 -1.09095 0.59211
Ar -0.82593 0.85205 -0.33175
Ar 0.99599 1.84070 0.69479
Ar 1.55357 0.81689 1.18793
Ar 0.74296 0.69387 -1.83483
Ar -0.82628 -1.93945 -0.62034
Ar 0.93603 -1.16951 1.51433
Ar 0.25703 -0.92816 -0.84171
Ar 0.05203 -0.35296 0.57559
Ar -1.78518 0.03166 0.06634
Ar 0.50120 -0.61171 -1.43939
Ar 1.44834 0.82876 0.12172
Ar -0.63681 -0.29337 -0.53938
Ar -2.02217 -0.01295 -0.61840
Ar -0.66346 -0.13988 0.27224
Ar 0.83417 1.21358 -1.37121
Ar 0.43207 0.18834 -1.32015
Ar 0.34146 1.41013 1.50060
Ar -0.51456 1.68004 -0.51836
Ar -0.67296 1.21397 -0.88108
Ar -1.46289 -0.59104 -0.63871
Ar -1.60811 0.55949 -1.46753
Ar 0.27791 0.14112 1.14985
Ar 0.90633 1.70489 -0.21583
Ar 0.48591 1.93419 -0.56317
Ar -0.73261 -1.58102 -1.43161
Ar 1.29116 1.50336 -1.00494
Ar -0.63840 -0.17598 -1.58260
Ar 0.06820 0.74300 1.04635
Ar -0.60126 -1.00438 -1.68307
Ar -1.31218 0.48985 1.30589
Ar -1.98903 -0.55685 0.08652
Ar -0.17997 0.40613 0.61753
Ar 0.98630 -0.81613 -0.57379
Ar -1.40197 0.03165 -1.28696
Ar -0.33551 -0.53003 -0.99999
Ar 0.01507 1.33435 -1.48647
Ar 1.21261 0.01493 0.22457
Ar -1.68972 0.51800 -0.88284
Ar 1.70653 0.01579 -0.74176
Ar -0.30011 0.47430 -1.00008
Ar 0.84903 1.80309 0.16358
Ar -0.17131 -1.15260 1.96571
Ar 0.88659 -0.33795 -1.88113
Ar 1.55628 -0.48052 0.81064
Ar -1.13365 1.43837 -0.03746
Ar -0.51071 0.42832 -2.08766
Ar 0.09403 -1.06809 0.33709
Ar -0.38318 -0.28288 1.61532
Ar 1.43788 -1.27302 -0.25252
Ar 2.32910 -0.07459 0.03220
Ar -1.08986 0.60535 -0.51783
Ar -0.33928 0.05271 -0.57780
Ar -0.27804 1.92860 -0.03674
Ar -2.05001 -0.53542 -0.62578
Ar -0.41971 -0.84973 0.32593
Ar 0.84298 0.13813 1.97491
Ar 0.22328 0.09570 1.53966
Ar 1.36911 -0.38963 0.49573
Ar -0.98128 -0.51572 1.57218
Ar 0.40999 -1.83446 -0.10528
Ar 0.19075 -1.14719 0.94459
Ar -2.17255 0.86149 -0.03755
Ar 0.31530 0.70878 0.16890
Ar 0.23515 -0.57965 -0.58492
Ar 0.10371 1.05212 -1.21907
Ar 0.85891 -2.12399 0.38964
Ar 0.33610 -0.24078 0.19832
Ar -0.10461 -0.14608 0.33985
Ar -1.52811 1.05567 -1.11897
Ar 1.11035 -1.57572 1.05262
Ar 1.44638 1.12584 -1.12695
Ar 0.15857 -1.32502 -1.66653
Ar 1.60655 0.59490 -1.44014
Ar 0.15393 1.52189 1.71003
Ar -0.49148 -2.11415 0.12581
Ar -0.49254 -0.47642 0.00825
Ar 0.55592 -0.89157 2.01623
Ar 0.39758 1.31943 0.58054
Ar -0.63959 0.07973 1.26776
Ar -0.79708 1.65148 0.08114
Ar -0.44186 -0.45206 0.80982
Ar 0.60330 -1.64336 0.36920
Ar -0.43068 -1.02017 0.83829
Ar 1.47186 1.36360 0.54817
Ar -0.06268 0.93722 -0.02872
Ar -1.23261 0.34490 0.59379
Ar -1.73853 0.37110 0.98800
Ar -0.78512 -0.47493 -1.02760
Ar -0.18990 2.24525 -0.53129
Ar -0.93604 0.29982 -0.06231
Ar -1.17493 -1.44879 -0.34419
Ar 0.25543 1.26673 -0.27017
Ar -1.36424 -0.47719 1.67850
Ar -1.38297 1.73893 0.41560
Ar -1.59292 -0.58897 1.33646
Ar 0.35978 0.53115 -1.01380
Ar -0.67203 -1.94240 -0.17839
Ar 1.84111 1.07809 -0.18124
Ar 1.20975 0.61860 1.41483
Ar 0.24676 0.19419 1.91391
Ar 1.28806 -0.80003 1.67808
Ar 0.76325 -0.88729 -0.76595
Ar 1.79898 -0.33290 1.44733
Ar 1.33041 -0.66510 0.08353
Ar -0.59977 0.79278 1.84647
Ar 2.00513 0.62725 0.03949
Ar 0.63765 -2.16272 -0.04524
Ar -1.03186 0.59680 -1.70053
Ar -0.19740 -0.17962 -1.95932
Ar -0.40332 1.52014 -1.72434
Ar 0.63072 1.41830 1.32859
Ar -1.14981 0.92941 0.52372
Ar -0.03927 -1.81642 -0.80380
Ar 2.10312 0.74663 0.75734
Ar 1.77992 -1.37865 -0.11837
Ar -0.27700 -0.60471 -2.14526
Ar 1.91560 -0.58662 0.66560
125
Energy =     1 kcal/mol
Ar -1.64381 -1.22017 -0.21840
Ar 1.63302 0.45572 -0.85993
Ar 0.49912 0.17582 -0.15491
Ar -0.59091 -1.46562 1.30322
Ar 1.23626 0.21362 -1.92827
Ar -2.28712 -0.21448 -0.37061
Ar -1.65291 0.75128 1.24730
Ar -0.68864 -1.04203 0.42269
Ar -0.88730 0.79209 -0.36036
Ar 1.02699 1.93173 0.71004
Ar 1.61136 0.85097 1.17346
Ar 0.67250 0.62346 -1.76695
Ar -0.80623 -1.98628 -0.61805
Ar 1.01327 -1.14005 1.58459
Ar 0.22164 -0.92303 -0.80568
Ar 0.06481 -0.40339 0.48601
Ar -1.76552 -0.02037 0.16040
Ar 0.57700 -0.65780 -1.36501
Ar 1.47134 0.71368 0.22075
Ar -0.69611 -0.34249 -0.60311
Ar -1.95379 0.01535 -0.63646
Ar -0.83598 -0.25196 0.23483
Ar 0.75757 1.09065 -1.50708
Ar 0.52257 0.20543 -1.22520
Ar 0.33072 1.28352 1.54886
Ar -0.36477 1.64163 -0.53187
Ar -0.67278 1.32999 -0.79641
Ar -1.39620 -0.59444 -0.55441
Ar -1.70685 0.56771 -1.48770
Ar 0.26296 0.29662 1.10537
Ar 0.79846 1.69331 -0.19330
Ar 0.48752 1.91030 -0.57024
Ar -0.75323 -1.51465 -1.50430
Ar 1.22593 1.37422 -0.99757
Ar -0.66508 -0.10270 -1.59459
Ar 0.14051 0.72408 1.09937
Ar -0.62434 -1.07138 -1.64263
Ar -1.26760 0.48860 1.29195
Ar -1.90008 -0.55916 0.12951
Ar -0.18971 0.53065 0.67751
Ar 1.02719 -0.81633 -0.49165
Ar -1.34346 0.13768 -1.31063
Ar -0.38999 -0.54080 -0.95876
Ar -0.01629 1.37415 -1.48970
Ar 1.15507 -0.11190 0.21632
Ar -1.55854 0.55128 -0.98491
Ar 1.81382 0.00907 -0.61635
Ar -0.33705 0.48763 -1.07334
Ar 0.94019 1.85539 0.15730
Ar -0.25275 -1.11128 1.95931
Ar 0.95811 -0.30908 -1.96998
Ar 1.52323 -0.42440 0.78121
Ar -1.15673 1.54066 -0.07873
Ar -0.47628 0.43869 -1.98700
Ar 0.09213 -1.11815 0.32498
Ar -0.41722 -0.23614 1.67229
Ar 1.43149 -1.20157 -0.30287
Ar 2.24996 -0.13331 -0.03514
Ar -1.05084 0.60207 -0.56245
Ar -0.32627 0.16035 -0.63436
Ar -0.35287 1.86020 -0.04223
Ar -2.16956 -0.50623 -0.66469
Ar -0.43468 -0.88863 0.29247
Ar 0.91215 0.19461 1.97426
Ar 0.18530 -0.05607 1.62684
Ar 1.33299 -0.47815 0.43516
Ar -0.92374 -0.54738 1.70545
Ar 0.31956 -1.78423 -0.10815
Ar 0.13713 -1.15107 0.99365
Ar -2.04849 0.76781 0.07204
Ar 0.31511 0.62389 0.14897
Ar 0.09420 -0.65441 -0.65352
Ar 0.05395 0.95814 -1.18931
Ar 0.82160 -2.04092 0.41663
Ar 0.27145 -0.17790 0.02631
Ar -0.08247 -0.10410 0.33721
Ar -1.49497 0.87593 -0.99148
Ar 1.06885 -1.52016 0.97728
Ar 1.44818 1.01828 -1.09820
Ar 0.23494 -1.36758 -1.71382
Ar 1.56262 0.57790 -1.46463
Ar 0.10734 1.55564 1.70874
Ar -0.38575 -2.14694 0.22150
Ar -0.46368 -0.53011 0.03039
Ar 0.54748 -0.81654 1.94309
Ar 0.39474 1.33251 0.54570
Ar -0.62220 0.06716 1.31789
Ar -0.85374 1.68164 0.00616
Ar -0.44786 -0.45559 0.85642
Ar 0.53438 -1.63405 0.26606
Ar -0.49396 -1.11012 0.77142
Ar 1.51564 1.39726 0.47345
Ar -0.04656 0.98936 -0.05088
Ar -1.21055 0.31951 0.52600
Ar -1.81274 0.25457 0.92433
Ar -0.79739 -0.39068 -1.18754
Ar -0.09682 2.15822 -0.55866
Ar -0.87391 0.30787 0.01955
Ar -1.22790 -1.35398 -0.36116
Ar 0.18581 1.14179 -0.27065
Ar -1.32174 -0.57142 1.63321
Ar -1.45244 1.76015 0.46039
Ar -1.52778 -0.51863 1.30403
Ar 0.46837 0.59496 -1.07017
Ar -0.67451 -1.92272 -0.15462
Ar 1.77619 1.09921 -0.21459
Ar 1.10648 0.57039 1.29441
Ar 0.24339 0.18521 1.92335
Ar 1.31000 -0.83066 1.58454
Ar 0.62487 -0.91254 -0.80738
Ar 1.78207 -0.21200 1.30360
Ar 1.23759 -0.61024 0.06872
Ar -0.57784 0.69802 1.76003
Ar 2.10245 0.41310 -0.09416
Ar 0.80400 -2.18106 0.00386
Ar -0.94964 0.53283 -1.78072
Ar -0.08827 -0.27531 -1.99904
Ar -0.40627 1.41817 -1.59274
Ar 0.59488 1.42258 1.31866
Ar -1.03989 0.88732 0.47699
Ar -0.05795 -1.81967 -0.90606
Ar 1.99467 0.74198 0.66854
Ar 1.68486 -1.31289 -0.11359
Ar -0.44749 -0.67675 -2.12504
Ar 1.85123 -0.57647 0.61069
125
Energy =     1 kcal/mol
Ar -1.61882 -1.18525 -0.23004
Ar 1.67134 0.44403 -0.87975
Ar 0.44514 0.21079 -0.09342
Ar -0.58165 -1.43076 1.20428
Ar 1.24596 0.24254 -1.91677
Ar -2.22185 -0.25204 -0.34736
Ar -1.56239 0.68888 1.30481
Ar -0.78045 -1.02825 0.28053
Ar -0.90316 0.78320 -0.33527
Ar 1.01556 1.94228 0.69435
Ar 1.66814 0.88416 1.15875
Ar 0.60258 0.55500 -1.69723
Ar -0.78492 -2.03236 -0.61158
Ar 1.09388 -1.10661 1.65482
Ar 0.20225 -1.04151 -0.84218
Ar 0.09157 -0.47791 0.41281
Ar -1.74626 -0.07417 0.25421
Ar 0.65255 -0.70438 -1.28939
Ar 1.49567 0.59921 0.31997
Ar -0.75272 -0.39232 -0.67000
Ar -1.88831 0.04012 -0.65244
Ar -1.00582 -0.36519 0.19583
Ar 0.68046 0.96506 -1.64339
Ar 0.61219 0.22911 -1.12812
Ar 0.29805 1.14655 1.60942
Ar -0.21620 1.60348 -0.54456
Ar -0.67068 1.44740 -0.70994
Ar -1.32962 -0.59790 -0.46994
Ar -1.67316 0.53184 -1.39033
Ar 0.25085 0.43191 1.05686
Ar 0.69103 1.68483 -0.16769
Ar 0.48962 1.88556 -0.57535
Ar -0.77311 -1.44573 -1.57783
Ar 1.16402 1.23919 -0.99193
Ar -0.69241 -0.03086 -1.60431
Ar 0.20851 0.72465 1.15643
Ar -0.64779 -1.14026 -1.60165
Ar -1.22736 0.48986 1.27713
Ar -1.81071 -0.55938 0.17203
Ar -0.19791 0.65515 0.73862
Ar 1.07029 -0.81703 -0.40741
Ar -1.28628 0.24648 -1.33352
Ar -0.44846 -0.54925 -0.91578
Ar -0.05026 1.41198 -1.49207
Ar 1.10018 -0.24585 0.20991
Ar -1.44748 0.44859 -1.11232
Ar 1.92090 0.00471 -0.49101
Ar -0.37325 0.50042 -1.14506
Ar 1.02958 1.90546 0.14800
Ar -0.33420 -1.06984 1.95269
Ar 1.02965 -0.27898 -2.05766
Ar 1.49300 -0.37096 0.74601
Ar -1.21665 1.62745 -0.12906
Ar -0.44477 0.44903 -1.88490
Ar 0.08865 -1.16759 0.31341
Ar -0.45275 -0.18777 1.72673
Ar 1.37815 -1.10986 -0.38402
Ar 2.15075 -0.18899 -0.10327
Ar -1.05787 0.54720 -0.66080
Ar -0.31417 0.26813 -0.69254
Ar -0.43006 1.79017 -0.05022
Ar -2.13263 -0.43536 -0.65105
Ar -0.39001 -0.88956 0.22975
Ar 0.98065 0.25112 1.97331
Ar 0.14723 -0.20532 1.71458
Ar 1.29877 -0.56304 0.37513
Ar -0.87095 -0.57864 1.83718
Ar 0.23258 -1.73319 -0.10635
Ar 0.08280 -1.15480 1.04187
Ar -1.91959 0.67209 0.18169
Ar 0.31377 0.53893 0.12715
Ar -0.08851 -0.61126 -0.65037
Ar 0.00424 0.86510 -1.16118
Ar 0.78058 -1.95295 0.43571
Ar 0.20496 -0.11101 -0.14284
Ar -0.07212 -0.03890 0.31352
Ar -1.44118 0.82966 -0.84270
Ar 1.02719 -1.46443 0.90207
Ar 1.44676 0.91458 -1.06846
Ar 0.31124 -1.41000 -1.76096
Ar 1.51811 0.56150 -1.48764
Ar 0.04760 1.49424 1.60494
Ar -0.28163 -2.17821 0.31476
Ar -0.43613 -0.58576 0.05763
Ar 0.53936 -0.74167 1.86953
Ar 0.39193 1.34542 0.51074
Ar -0.60345 0.05250 1.37034
Ar -0.87098 1.72802 -0.05962
Ar -0.45321 -0.45962 0.90180
Ar 0.46445 -1.62872 0.15938
Ar -0.55449 -1.19753 0.70435
Ar 1.55920 1.43068 0.39852
Ar -0.07359 1.02098 -0.02496
Ar -1.18776 0.29501 0.45730
Ar -1.88590 0.13917 0.86120
Ar -0.80516 -0.30524 -1.34723
Ar -0.00378 2.06814 -0.58515
Ar -0.81244 0.31606 0.10178
Ar -1.28542 -1.25768 -0.37648
Ar 0.16075 1.03597 -0.31812
Ar -1.27615 -0.66455 1.58470
Ar -1.42960 1.66967 0.47537
Ar -1.45962 -0.44884 1.27600
Ar 0.57668 0.65374 -1.12994
Ar -0.67649 -1.90478 -0.13270
Ar 1.71089 1.11959 -0.24730
Ar 1.00441 0.52286 1.17361
Ar 0.23997 0.17411 1.93067
Ar 1.32816 -0.86506 1.49086
Ar 0.50987 -0.93116 -0.85086
Ar 1.75994 -0.09080 1.15518
Ar 1.14416 -0.55196 0.05527
Ar -0.55589 0.60293 1.67332
Ar 2.19928 0.19684 -0.22790
Ar 0.92305 -2.07212 0.05876
Ar -0.86470 0.46788 -1.86138
Ar 0.01926 -0.37254 -2.03901
Ar -0.40535 1.31317 -1.45737
Ar 0.58607 1.43310 1.28914
Ar -0.93025 0.84386 0.43004
Ar -0.07674 -1.82282 -1.00819
Ar 1.81111 0.71070 0.55356
Ar 1.63518 -1.26568 -0.07823
Ar -0.61621 -0.74643 -2.10075
Ar 1.78011 -0.56368 0.55753
125
Energy =     1 kcal/mol
Ar -1.61470 -1.14690 -0.23080
Ar 1.70888 0.43368 -0.90042
Ar 0.39466 0.21946 -0.04609
Ar -0.57200 -1.39480 1.10331
Ar 1.21654 0.26380 -1.84434
Ar -2.13470 -0.27954 -0.30603
Ar -1.47563 0.62791 1.36365
Ar -0.87545 -1.01773 0.14382
Ar -0.91788 0.77489 -0.30932
Ar 0.96294 1.87412 0.64811
Ar 1.72478 0.91698 1.14330
Ar 0.53386 0.49157 -1.62458
Ar -0.76277 -2.07747 -0.60187
Ar 1.16212 -1.06162 1.70750
Ar 0.09323 -1.18333 -0.87611
Ar 0.11556 -0.54904 0.33763
Ar -1.72723 -0.13127 0.34783
Ar 0.72676 -0.75254 -1.21070
Ar 1.45951 0.43897 0.38356
Ar -0.80700 -0.44367 -0.73930
Ar -1.82520 0.06137 -0.66713
Ar -1.17483 -0.47875 0.15637
Ar 0.60222 0.83385 -1.77932
Ar 0.70116 0.25992 -1.03158
Ar 0.26371 1.01524 1.66673
Ar -0.06916 1.56755 -0.55694
Ar -0.66586 1.56586 -0.62179
Ar -1.26264 -0.60187 -0.38511
Ar -1.65118 0.50316 -1.30413
Ar 0.25880 0.44195 0.97167
Ar 0.58399 1.67920 -0.14280
Ar 0.49005 1.86010 -0.57733
Ar -0.82294 -1.44634 -1.63603
Ar 1.10627 1.09892 -0.98753
Ar -0.71489 0.05703 -1.62246
Ar 0.25508 0.85166 1.24983
Ar -0.63329 -1.12484 -1.56079
Ar -1.18311 0.48921 1.26065
Ar -1.72066 -0.55569 0.21471
Ar -0.20431 0.77926 0.80097
Ar 1.11127 -0.81434 -0.31855
Ar -1.14502 0.27923 -1.46892
Ar -0.50852 -0.55622 -0.87038
Ar -0.08180 1.44916 -1.49369
Ar 1.03902 -0.30446 0.25964
Ar -1.40052 0.36900 -1.11297
Ar 1.98440 -0.00723 -0.38319
Ar -0.40720 0.51365 -1.21440
Ar 1.11687 1.95390 0.13852
Ar -0.41588 -1.02806 1.94585
Ar 1.03764 -0.23098 -2.01787
Ar 1.46425 -0.32091 0.70489
Ar -1.29622 1.70680 -0.18352
Ar -0.41955 0.45872 -1.78150
Ar 0.08385 -1.21660 0.30150
Ar -0.48995 -0.13722 1.77675
Ar 1.32782 -1.02077 -0.46521
Ar 2.05080 -0.24314 -0.17147
Ar -1.06908 0.49295 -0.76158
Ar -0.30263 0.37723 -0.75353
Ar -0.51169 1.71869 -0.06025
Ar -2.02913 -0.35512 -0.63396
Ar -0.33055 -0.92774 0.18523
Ar 1.04881 0.30760 1.97218
Ar 0.10955 -0.35013 1.80520
Ar 1.27253 -0.64090 0.33028
Ar -0.82071 -0.60977 1.96639
Ar 0.12912 -1.68752 -0.11854
Ar 0.02783 -1.15852 1.08959
Ar -1.79045 0.57601 0.29143
Ar 0.30362 0.47527 0.11857
Ar -0.27174 -0.56920 -0.64864
Ar -0.04701 0.77059 -1.13358
Ar 0.74037 -1.86499 0.44735
Ar 0.14067 -0.03876 -0.30867
Ar -0.05879 0.02214 0.28845
Ar -1.37896 0.82283 -0.68465
Ar 0.98537 -1.40879 0.82669
Ar 1.44204 0.81277 -1.03835
Ar 0.38255 -1.43262 -1.78341
Ar 1.47271 0.54557 -1.50922
Ar -0.00788 1.42760 1.50038
Ar -0.17782 -2.20895 0.40737
Ar -0.41689 -0.60169 0.06649
Ar 0.53113 -0.66651 1.79565
Ar 0.38911 1.35823 0.47564
Ar -0.58278 0.03550 1.42755
Ar -0.86336 1.78218 -0.12087
Ar -0.45837 -0.46370 0.94682
Ar 0.41236 -1.61912 0.06863
Ar -0.61574 -1.28359 0.63501
Ar 1.60254 1.46387 0.32335
Ar -0.13304 1.04013 0.03723
Ar -1.16259 0.27122 0.38641
Ar -1.95843 0.02374 0.79743
Ar -0.81721 -0.23362 -1.49803
Ar 0.09061 1.97366 -0.61098
Ar -0.75352 0.32499 0.18596
Ar -1.32170 -1.16349 -0.40264
Ar 0.16852 0.94211 -0.40144
Ar -1.22938 -0.75373 1.53361
Ar -1.39935 1.57068 0.48729
Ar -1.38857 -0.38209 1.25256
Ar 0.68481 0.70646 -1.19221
Ar -0.67870 -1.88785 -0.11349
Ar 1.64540 1.13986 -0.27969
Ar 0.90225 0.47546 1.05279
Ar 0.23547 0.15822 1.93488
Ar 1.34623 -0.89942 1.39676
Ar 0.48446 -0.92286 -0.89874
Ar 1.73684 0.02939 1.00523
Ar 1.05475 -0.57572 -0.02606
Ar -0.53401 0.50669 1.58597
Ar 2.33127 -0.01275 -0.34318
Ar 1.03040 -1.93847 0.11977
Ar -0.77372 0.40121 -1.94101
Ar 0.12639 -0.46993 -2.07888
Ar -0.40639 1.20740 -1.32169
Ar 0.57442 1.44172 1.26192
Ar -0.82078 0.79856 0.38246
Ar -0.09560 -1.82578 -1.11023
Ar 1.68783 0.72561 0.47468
Ar 1.58412 -1.21723 -0.04483
Ar -0.76349 -0.79133 -2.00607
Ar 1.70237 -0.54848 0.50532
125
Energy =     1 kcal/mol
Ar -1.65600 -1.10331 -0.20618
Ar 1.74369 0.42672 -0.92258
Ar 0.37577 0.12508 -0.06575
Ar -0.56210 -1.35752 0.99804
Ar 1.18795 0.28547 -1.76995
Ar -2.05393 -0.29843 -0.24096
Ar -1.42373 0.58349 1.43448
Ar -0.96792 -1.00555 0.00740
Ar -0.93418 0.76522 -0.28547
Ar 0.91083 1.80598 0.59962
Ar 1.78038 0.94908 1.12674
Ar 0.46688 0.43178 -1.55006
Ar -0.73448 -2.10578 -0.58528
Ar 1.17163 -0.95955 1.66808
Ar -0.01441 -1.32366 -0.91022
Ar 0.13718 -0.62007 0.26135
Ar -1.70876 -0.19314 0.44151
Ar 0.79727 -0.80319 -1.12747
Ar 1.34730 0.21673 0.40429
Ar -0.90712 -0.47920 -0.78907
Ar -1.76454 0.07740 -0.68096
Ar -1.34475 -0.59356 0.11466
Ar 0.52362 0.69971 -1.91266
Ar 0.78981 0.29567 -0.93707
Ar 0.22802 0.88520 1.71797
Ar 0.07938 1.53661 -0.56948
Ar -0.66010 1.68519 -0.53039
Ar -1.19527 -0.60742 -0.29846
Ar -1.67160 0.49598 -1.25334
Ar 0.26687 0.45207 0.88649
Ar 0.47614 1.67542 -0.12168
Ar 0.49394 1.83217 -0.57420
Ar -0.82629 -1.36970 -1.57349
Ar 1.05232 0.95335 -0.98457
Ar -0.70228 0.19961 -1.67280
Ar 0.30088 0.98171 1.34707
Ar -0.60373 -1.07655 -1.51887
Ar -1.10343 0.47164 1.23213
Ar -1.62945 -0.54579 0.25872
Ar -0.20938 0.90278 0.86388
Ar 1.15169 -0.83917 -0.26446
Ar -0.98203 0.28707 -1.64877
Ar -0.59139 -0.57827 -0.91395
Ar -0.11706 1.48324 -1.49310
Ar 0.97748 -0.32475 0.34205
Ar -1.34284 0.29826 -1.02892
Ar 1.94143 0.02581 -0.35217
Ar -0.43614 0.52879 -1.28142
Ar 1.19678 1.99071 0.13020
Ar -0.49868 -0.98486 1.93901
Ar 1.01482 -0.17326 -1.91536
Ar 1.43628 -0.27201 0.66103
Ar -1.36994 1.78693 -0.23683
Ar -0.40109 0.46539 -1.67690
Ar 0.07726 -1.26496 0.28784
Ar -0.52785 -0.08568 1.82433
Ar 1.31052 -0.96266 -0.56479
Ar 1.96671 -0.35492 -0.19166
Ar -1.08491 0.44249 -0.86237
Ar -0.29121 0.48844 -0.81922
Ar -0.58086 1.64233 -0.06908
Ar -1.91549 -0.27807 -0.64129
Ar -0.26253 -1.00350 0.15806
Ar 1.11678 0.36406 1.97094
Ar 0.07374 -0.49377 1.89623
Ar 1.24616 -0.71063 0.28438
Ar -0.76905 -0.64110 2.09281
Ar -0.00559 -1.65023 -0.15393
Ar -0.02802 -1.16241 1.13696
Ar -1.66078 0.47918 0.40134
Ar 0.25614 0.51012 0.17425
Ar -0.38702 -0.52810 -0.57660
Ar -0.10408 0.67279 -1.10652
Ar 0.70306 -1.77655 0.45342
Ar 0.07933 0.03727 -0.47015
Ar -0.04341 0.08295 0.26165
Ar -1.31217 0.81128 -0.52733
Ar 0.94324 -1.35360 0.75077
Ar 1.43488 0.71047 -1.00820
Ar 0.43552 -1.38496 -1.71827
Ar 1.42520 0.52865 -1.53053
Ar -0.06055 1.35779 1.39605
Ar -0.07399 -2.23934 0.49971
Ar -0.40511 -0.58229 0.05995
Ar 0.52086 -0.58998 1.72188
Ar 0.38631 1.37107 0.44027
Ar -0.56080 0.02044 1.48805
Ar -0.87299 1.83878 -0.18758
Ar -0.46351 -0.46768 0.99192
Ar 0.39184 -1.60041 0.00384
Ar -0.67628 -1.36948 0.56840
Ar 1.64554 1.49684 0.24778
Ar -0.19078 1.05879 0.09730
Ar -1.13277 0.24862 0.31315
Ar -2.02923 -0.09243 0.73114
Ar -0.84895 -0.21460 -1.62161
Ar 0.17956 1.87401 -0.63677
Ar -0.69976 0.33650 0.27320
Ar -1.31154 -1.07163 -0.45354
Ar 0.17445 0.84862 -0.48254
Ar -1.18298 -0.83960 1.48084
Ar -1.36888 1.47172 0.49863
Ar -1.31601 -0.31814 1.23149
Ar 0.79303 0.75448 -1.25596
Ar -0.68105 -1.87172 -0.09653
Ar 1.57977 1.16018 -0.31171
Ar 0.79926 0.42812 0.93185
Ar 0.23029 0.13994 1.93813
Ar 1.36238 -0.93505 1.30572
Ar 0.46096 -0.91353 -0.95077
Ar 1.71229 0.14806 0.85350
Ar 0.94176 -0.58633 -0.07871
Ar -0.51263 0.40614 1.49749
Ar 2.20097 -0.20247 -0.37636
Ar 1.13343 -1.80336 0.18543
Ar -0.67839 0.33183 -2.01396
Ar 0.23349 -0.56732 -2.11866
Ar -0.40288 1.10284 -1.18735
Ar 0.56131 1.44925 1.23523
Ar -0.71114 0.74947 0.33339
Ar -0.11443 -1.82825 -1.21208
Ar 1.64055 0.80237 0.43933
Ar 1.53092 -1.16698 -0.01368
Ar -0.90426 -0.83026 -1.89123
Ar 1.61841 -0.53277 0.45218
125
Energy =     1 kcal/mol
Ar -1.69355 -1.05787 -0.18308
Ar 1.77349 0.42397 -0.94612
Ar 0.35279 0.03042 -0.08598
Ar -0.55255 -1.31985 0.88708
Ar 1.15810 0.30492 -1.69515
Ar -1.97068 -0.31669 -0.18014
Ar -1.37392 0.54021 1.50555
Ar -1.06313 -0.98988 -0.13116
Ar -0.94943 0.75485 -0.26167
Ar 0.85908 1.73787 0.54966
Ar 1.78098 0.95171 1.07531
Ar 0.40192 0.37637 -1.47765
Ar -0.69265 -2.09557 -0.55610
Ar 1.18067 -0.85412 1.61821
Ar -0.12145 -1.46428 -0.94504
Ar 0.15610 -0.69249 0.18417
Ar -1.69455 -0.25324 0.53930
Ar 0.86308 -0.85549 -1.04145
Ar 1.23636 -0.00704 0.42699
Ar -1.04451 -0.50269 -0.82256
Ar -1.69997 0.10177 -0.69677
Ar -1.42705 -0.73413 0.01122
Ar 0.44460 0.56225 -2.04154
Ar 0.87863 0.33394 -0.84414
Ar 0.19285 0.75690 1.76398
Ar 0.22571 1.47612 -0.57323
Ar -0.64999 1.80256 -0.43592
Ar -1.12955 -0.61804 -0.20729
Ar -1.68821 0.48641 -1.19984
Ar 0.27712 0.46291 0.80131
Ar 0.36752 1.67269 -0.10563
Ar 0.57415 1.79059 -0.55041
Ar -0.82675 -1.28546 -1.50001
Ar 1.00231 0.80259 -0.98130
Ar -0.52089 0.24523 -1.74305
Ar 0.34463 1.11360 1.44766
Ar -0.57229 -1.02337 -1.47765
Ar -1.02069 0.45239 1.20354
Ar -1.62286 -0.51192 0.35679
Ar -0.21363 1.02618 0.92722
Ar 1.22266 -0.92036 -0.25639
Ar -1.01003 0.35636 -1.81086
Ar -0.65496 -0.61316 -0.99193
Ar -0.15347 1.51579 -1.49128
Ar 0.92092 -0.35046 0.42167
Ar -1.34921 0.19124 -0.97598
Ar 1.88034 0.07920 -0.32740
Ar -0.46949 0.55502 -1.30366
Ar 1.20538 1.90901 0.11555
Ar -0.58389 -0.93812 1.93340
Ar 0.99303 -0.11242 -1.81180
Ar 1.40761 -0.22121 0.61493
Ar -1.41168 1.83103 -0.28430
Ar -0.35087 0.49228 -1.60093
Ar 0.06745 -1.31153 0.27043
Ar -0.56422 -0.03973 1.89203
Ar 1.29956 -0.91010 -0.67245
Ar 1.82667 -0.51491 -0.15004
Ar -1.04154 0.43171 -0.93230
Ar -0.31766 0.58192 -0.82970
Ar -0.64207 1.56316 -0.08044
Ar -1.80584 -0.20941 -0.64293
Ar -0.19104 -1.07728 0.13188
Ar 1.16927 0.41526 1.94332
Ar 0.04083 -0.63745 1.98600
Ar 1.22043 -0.77335 0.23665
Ar -0.66718 -0.63439 2.08407
Ar -0.13661 -1.61157 -0.18685
Ar -0.08521 -1.16658 1.18380
Ar -1.52980 0.38104 0.51104
Ar 0.20691 0.54221 0.23000
Ar -0.48515 -0.48663 -0.48437
Ar -0.13033 0.59337 -1.14154
Ar 0.66832 -1.68641 0.45714
Ar 0.01950 0.11460 -0.62896
Ar -0.02479 0.14593 0.23273
Ar -1.24498 0.79782 -0.37117
Ar 0.90051 -1.29966 0.67367
Ar 1.42676 0.60631 -0.97842
Ar 0.48781 -1.33506 -1.65029
Ar 1.37701 0.51200 -1.55026
Ar -0.11029 1.28515 1.29132
Ar 0.03029 -2.23052 0.58249
Ar -0.39077 -0.56762 0.05416
Ar 0.50738 -0.51263 1.64931
Ar 0.38367 1.38427 0.40436
Ar -0.54166 0.00225 1.53040
Ar -0.89818 1.89905 -0.25519
Ar -0.46872 -0.47152 1.03730
Ar 0.36692 -1.58110 -0.05976
Ar -0.73480 -1.45466 0.50702
Ar 1.68797 1.52954 0.17170
Ar -0.24868 1.07692 0.15739
Ar -1.09803 0.22808 0.23954
Ar -2.09515 -0.20992 0.66078
Ar -0.88032 -0.19131 -1.74520
Ar 0.19456 1.81540 -0.68589
Ar -0.65195 0.35079 0.36175
Ar -1.30201 -0.97644 -0.49948
Ar 0.17955 0.75496 -0.56375
Ar -1.13654 -0.92413 1.42764
Ar -1.33829 1.37276 0.50970
Ar -1.24292 -0.25516 1.21095
Ar 0.90159 0.80045 -1.32098
Ar -0.68317 -1.85622 -0.08154
Ar 1.51411 1.18067 -0.34322
Ar 0.69353 0.38097 0.81055
Ar 0.22477 0.12101 1.94105
Ar 1.37541 -0.97102 1.22017
Ar 0.44143 -0.90332 -1.00523
Ar 1.68552 0.26504 0.69973
Ar 0.79654 -0.53476 -0.06693
Ar -0.49045 0.31339 1.40648
Ar 2.02810 -0.35982 -0.44681
Ar 1.23339 -1.66749 0.25313
Ar -0.58275 0.26552 -2.09184
Ar 0.34063 -0.66470 -2.15834
Ar -0.39664 0.99532 -1.05371
Ar 0.54634 1.45456 1.20915
Ar -0.60102 0.69637 0.28264
Ar -0.13312 -1.82947 -1.31322
Ar 1.59264 0.87823 0.40408
Ar 1.47500 -1.11405 0.01626
Ar -1.04354 -0.87047 -1.77410
Ar 1.52830 -0.51870 0.39660
125
Energy =     1 kcal/mol
Ar -1.73919 -1.01863 -0.16537
Ar 1.79886 0.42339 -0.97006
Ar 0.32688 -0.06291 -0.10416
Ar -0.54424 -1.28347 0.77132
Ar 1.08843 0.28518 -1.64413
Ar -1.88515 -0.33459 -0.12230
Ar -1.32022 0.49579 1.57342
Ar -1.16286 -0.97567 -0.26770
Ar -0.86678 0.72963 -0.20442
Ar 0.80716 1.66939 0.49832
Ar 1.76140 0.94346 1.01094
Ar 0.33697 0.32227 -1.40597
Ar -0.65048 -2.08360 -0.52446
Ar 1.19185 -0.74981 1.56346
Ar -0.22850 -1.60667 -0.98187
Ar 0.17194 -0.76728 0.10626
Ar -1.70408 -0.24884 0.68453
Ar 0.92438 -0.90863 -0.95348
Ar 1.07098 -0.17992 0.39353
Ar -1.17747 -0.52817 -0.85619
Ar -1.61612 0.18080 -0.72255
Ar -1.47174 -0.87429 -0.10746
Ar 0.36553 0.42409 -2.16869
Ar 0.96896 0.37593 -0.75299
Ar 0.15865 0.63046 1.80714
Ar 0.37368 1.38846 -0.56599
Ar -0.57847 1.89278 -0.37995
Ar -1.06776 -0.62991 -0.11520
Ar -1.70179 0.47404 -1.14367
Ar 0.28771 0.47467 0.71450
Ar 0.25939 1.66929 -0.09432
Ar 0.65847 1.74385 -0.52196
Ar -0.83391 -1.20564 -1.42811
Ar 0.96128 0.64796 -0.96508
Ar -0.39297 0.20938 -1.82565
Ar 0.38677 1.24784 1.54705
Ar -0.53627 -0.96298 -1.43583
Ar -0.94021 0.43323 1.17848
Ar -1.61727 -0.53503 0.42131
Ar -0.23206 1.12566 0.94133
Ar 1.29253 -0.99870 -0.25158
Ar -1.03943 0.42511 -1.97337
Ar -0.72219 -0.64684 -1.06623
Ar -0.19002 1.54793 -1.48905
Ar 0.86386 -0.38199 0.50120
Ar -1.38632 0.06665 -0.93568
Ar 1.81973 0.12854 -0.30318
Ar -0.53338 0.60890 -1.20679
Ar 1.20430 1.81059 0.10100
Ar -0.66630 -0.92416 1.91270
Ar 0.97296 -0.04665 -1.70680
Ar 1.43824 -0.22045 0.62070
Ar -1.34612 1.74147 -0.31108
Ar -0.20639 0.57067 -1.59980
Ar 0.06771 -1.36880 0.25614
Ar -0.60046 0.00335 1.97221
Ar 1.28642 -0.85778 -0.77679
Ar 1.66150 -0.69053 -0.08373
Ar -0.97055 0.43928 -0.99025
Ar -0.39212 0.64458 -0.75963
Ar -0.70605 1.49048 -0.09891
Ar -1.71494 -0.19419 -0.63223
Ar -0.12715 -1.13864 0.09920
Ar 1.19464 0.45706 1.86993
Ar 0.00833 -0.78078 2.07483
Ar 1.19940 -0.83274 0.18669
Ar -0.54711 -0.57590 2.03116
Ar -0.26528 -1.57163 -0.21728
Ar -0.14375 -1.17096 1.22980
Ar -1.39695 0.28141 0.61964
Ar 0.15515 0.56857 0.28676
Ar -0.58476 -0.44611 -0.39257
Ar -0.11227 0.53651 -1.25652
Ar 0.63566 -1.59287 0.46091
Ar -0.04043 0.19359 -0.78743
Ar -0.00151 0.21324 0.20210
Ar -1.27485 0.79829 -0.24814
Ar 0.85652 -1.24871 0.59431
Ar 1.41633 0.50156 -0.94975
Ar 0.53999 -1.28494 -1.58201
Ar 1.36524 0.53132 -1.54438
Ar -0.14227 1.23482 1.23635
Ar 0.13470 -2.16192 0.65032
Ar -0.37482 -0.55504 0.04701
Ar 0.49268 -0.43536 1.57760
Ar 0.38158 1.39856 0.36755
Ar -0.52902 -0.05388 1.57287
Ar -0.98523 1.97848 -0.27722
Ar -0.47409 -0.47512 1.08314
Ar 0.33768 -1.56045 -0.12125
Ar -0.79039 -1.53792 0.45044
Ar 1.71508 1.54921 0.09413
Ar -0.30805 1.09314 0.21795
Ar -1.06057 0.20977 0.16795
Ar -2.15374 -0.32829 0.58799
Ar -0.91056 -0.16449 -1.86920
Ar 0.20312 1.78836 -0.74446
Ar -0.60990 0.35277 0.45225
Ar -1.29442 -0.87612 -0.54184
Ar 0.18306 0.66045 -0.64599
Ar -1.08976 -1.00818 1.37444
Ar -1.30758 1.27375 0.52060
Ar -1.16948 -0.19215 1.19041
Ar 1.00649 0.84280 -1.39857
Ar -0.68423 -1.84100 -0.06875
Ar 1.44853 1.20140 -0.37413
Ar 0.58674 0.33315 0.68853
Ar 0.21899 0.10231 1.94354
Ar 1.38592 -1.00571 1.13919
Ar 0.42799 -0.89262 -1.06039
Ar 1.65684 0.38061 0.54481
Ar 0.65387 -0.48394 -0.05238
Ar -0.46326 0.26059 1.30197
Ar 1.87781 -0.49817 -0.54041
Ar 1.33192 -1.53036 0.32139
Ar -0.49258 0.20202 -2.18990
Ar 0.43871 -0.74575 -2.14825
Ar -0.38879 0.89111 -0.92911
Ar 0.52861 1.45595 1.18569
Ar -0.48779 0.65608 0.22756
Ar -0.15172 -1.82720 -1.41119
Ar 1.54487 0.95402 0.36914
Ar 1.41764 -1.05803 0.05121
Ar -1.18049 -0.91236 -1.65486
Ar 1.43117 -0.50544 0.33901
125
Energy =     1 kcal/mol
Ar -1.89133 -1.04205 -0.17583
Ar 1.81946 0.42349 -0.99366
Ar 0.30084 -0.15715 -0.12024
Ar -0.53746 -1.24913 0.65281
Ar 1.02566 0.31177 -1.59055
Ar -1.79803 -0.35297 -0.06548
Ar -1.26479 0.45086 1.63958
Ar -1.17047 -1.00897 -0.36283
Ar -0.76712 0.70147 -0.14104
Ar 0.75351 1.59955 0.44516
Ar 1.74158 0.93499 0.94586
Ar 0.26861 0.27007 -1.33365
Ar -0.60818 -2.06970 -0.49006
Ar 1.20382 -0.64661 1.50645
Ar -0.33500 -1.75077 -1.02221
Ar 0.18469 -0.84524 0.02791
Ar -1.72045 -0.23410 0.83651
Ar 0.97603 -0.96488 -0.86593
Ar 0.97059 -0.26220 0.29874
Ar -1.30852 -0.55287 -0.89147
Ar -1.56024 0.28035 -0.72413
Ar -1.45938 -0.93065 -0.16799
Ar 0.28561 0.28515 -2.29042
Ar 1.06768 0.39015 -0.63372
Ar 0.12484 0.50215 1.85044
Ar 0.52333 1.30973 -0.55828
Ar -0.50338 1.97830 -0.32532
Ar -1.01071 -0.64260 -0.02617
Ar -1.71323 0.45841 -1.08400
Ar 0.24416 0.51414 0.62993
Ar 0.15283 1.66420 -0.08439
Ar 0.73510 1.69262 -0.49433
Ar -0.84220 -1.12286 -1.35725
Ar 0.91981 0.52175 -0.98236
Ar -0.26414 0.17599 -1.90275
Ar 0.42961 1.38455 1.64094
Ar -0.50288 -0.90122 -1.39182
Ar -0.85868 0.41244 1.15533
Ar -1.60969 -0.56821 0.47677
Ar -0.29803 1.15192 0.79514
Ar 1.34490 -1.06344 -0.28864
Ar -1.01765 0.47072 -2.03928
Ar -0.79135 -0.68214 -1.14123
Ar -0.22654 1.57988 -1.48662
Ar 0.72682 -0.49408 0.62249
Ar -1.39560 -0.07370 -0.92103
Ar 1.75901 0.17715 -0.27944
Ar -0.59045 0.66473 -1.10261
Ar 1.20355 1.71081 0.08725
Ar -0.74803 -0.92564 1.88479
Ar 0.93617 -0.03449 -1.60862
Ar 1.48754 -0.23742 0.63910
Ar -1.27159 1.65103 -0.33652
Ar -0.07059 0.65886 -1.64312
Ar 0.09658 -1.45724 0.25871
Ar -0.63541 0.04430 2.04709
Ar 1.27970 -0.80268 -0.87808
Ar 1.50713 -0.83476 -0.03536
Ar -0.89807 0.44683 -1.04889
Ar -0.46638 0.56100 -0.59696
Ar -0.77006 1.42117 -0.11986
Ar -1.62294 -0.18113 -0.62156
Ar -0.08726 -1.16729 0.04522
Ar 1.21983 0.49883 1.79634
Ar -0.02535 -0.91897 2.15231
Ar 1.12974 -0.83715 0.16026
Ar -0.42662 -0.50048 1.98451
Ar -0.39446 -1.53170 -0.24495
Ar -0.20308 -1.17527 1.27509
Ar -1.26305 0.18055 0.72741
Ar 0.10175 0.59148 0.34596
Ar -0.68450 -0.40718 -0.29736
Ar -0.09132 0.46698 -1.32251
Ar 0.60502 -1.49459 0.46545
Ar -0.10036 0.27732 -0.94675
Ar 0.02438 0.28303 0.17111
Ar -1.32009 0.80082 -0.12992
Ar 0.81081 -1.20193 0.51226
Ar 1.40223 0.39695 -0.92148
Ar 0.59197 -1.23423 -1.51319
Ar 1.35992 0.56172 -1.53030
Ar -0.12505 1.25740 1.34157
Ar 0.23920 -2.09286 0.71797
Ar -0.35919 -0.54289 0.03684
Ar 0.47778 -0.35797 1.50621
Ar 0.38137 1.41522 0.32983
Ar -0.51725 -0.10907 1.61815
Ar -1.07703 2.04743 -0.29461
Ar -0.47973 -0.47819 1.12971
Ar 0.30524 -1.53796 -0.17928
Ar -0.84316 -1.61918 0.39587
Ar 1.68463 1.51850 0.01287
Ar -0.36912 1.10512 0.27863
Ar -1.02201 0.19293 0.09821
Ar -2.20588 -0.44634 0.51516
Ar -0.93990 -0.13583 -1.99350
Ar 0.21644 1.75694 -0.79921
Ar -0.56853 0.35429 0.54034
Ar -1.32316 -0.74577 -0.65165
Ar 0.18370 0.56385 -0.72997
Ar -1.04249 -1.09196 1.32147
Ar -1.27672 1.17462 0.53129
Ar -1.09555 -0.12837 1.16960
Ar 1.11412 0.87970 -1.47397
Ar -0.68276 -1.82482 -0.05858
Ar 1.38315 1.22252 -0.40426
Ar 0.53243 0.25782 0.56020
Ar 0.21275 0.08554 1.94513
Ar 1.39524 -1.03915 1.06008
Ar 0.41817 -0.88235 -1.11545
Ar 1.62748 0.49648 0.38966
Ar 0.50965 -0.43166 -0.03610
Ar -0.43914 0.20768 1.19867
Ar 1.72559 -0.63710 -0.63142
Ar 1.42951 -1.39019 0.38867
Ar -0.40288 0.13831 -2.28340
Ar 0.51549 -0.78958 -2.02747
Ar -0.38065 0.92501 -0.90808
Ar 0.50842 1.45417 1.16699
Ar -0.37340 0.61947 0.17265
Ar -0.16530 -1.75504 -1.45220
Ar 1.49752 1.02934 0.33455
Ar 1.41739 -1.09384 0.12495
Ar -1.31452 -0.95589 -1.53373
Ar 1.32745 -0.49267 0.28064
125
Energy =     1 kcal/mol
Ar -2.04276 -1.06565 -0.18695
Ar 1.83316 0.42322 -1.01617
Ar 0.22031 -0.17878 -0.16676
Ar -0.53150 -1.21620 0.53311
Ar 0.98414 0.39734 -1.52887
Ar -1.70991 -0.37232 -0.00873
Ar -1.20854 0.40557 1.70487
Ar -1.11171 -1.05993 -0.48694
Ar -0.66603 0.67212 -0.07681
Ar 0.69748 1.52802 0.39011
Ar 1.72144 0.92639 0.87994
Ar 0.19893 0.21816 -1.25805
Ar -0.56594 -2.05291 -0.45256
Ar 1.21591 -0.54392 1.44859
Ar -0.43997 -1.89500 -1.06657
Ar 0.19471 -0.92575 -0.05031
Ar -1.73608 -0.22170 0.98512
Ar 0.99868 -1.03376 -0.78044
Ar 0.88028 -0.34400 0.20072
Ar -1.43681 -0.49172 -1.04336
Ar -1.50907 0.37776 -0.72701
Ar -1.50703 -0.96533 -0.19099
Ar 0.18653 0.12882 -2.26103
Ar 1.17345 0.39399 -0.50717
Ar 0.09083 0.37223 1.89407
Ar 0.67514 1.23786 -0.54977
Ar -0.43040 2.06310 -0.27012
Ar -0.95365 -0.65652 0.05758
Ar -1.72210 0.43961 -1.01938
Ar 0.23505 0.53478 0.62810
Ar 0.04772 1.65771 -0.07346
Ar 0.80753 1.63570 -0.46764
Ar -0.84714 -1.03459 -1.28669
Ar 0.87993 0.40528 -1.01264
Ar -0.13384 0.14469 -1.97951
Ar 0.47084 1.51629 1.72398
Ar -0.47897 -0.83991 -1.34381
Ar -0.77388 0.38754 1.13225
Ar -1.60404 -0.59829 0.53367
Ar -0.36355 1.17799 0.64834
Ar 1.39588 -1.12595 -0.32663
Ar -0.89669 0.47089 -1.91029
Ar -0.85854 -0.72135 -1.21978
Ar -0.26300 1.61168 -1.48400
Ar 0.58533 -0.61158 0.74535
Ar -1.39760 -0.21103 -0.91446
Ar 1.69786 0.22595 -0.25595
Ar -0.63675 0.72776 -0.99356
Ar 1.20429 1.60918 0.07349
Ar -0.82821 -0.92482 1.85683
Ar 0.88364 -0.07519 -1.51593
Ar 1.53390 -0.25736 0.65273
Ar -1.19250 1.56564 -0.36063
Ar 0.06109 0.75638 -1.72023
Ar 0.12867 -1.54494 0.25753
Ar -0.66858 0.08250 2.11689
Ar 1.30366 -0.73446 -0.97492
Ar 1.40510 -0.84238 -0.05942
Ar -0.83158 0.44717 -1.10838
Ar -0.54124 0.47183 -0.43231
Ar -0.83478 1.35267 -0.14136
Ar -1.53303 -0.16507 -0.60388
Ar -0.04391 -1.19429 -0.00954
Ar 1.24498 0.54058 1.72270
Ar -0.05744 -0.96931 2.02769
Ar 1.03837 -0.81073 0.14450
Ar -0.30777 -0.42502 1.93569
Ar -0.52596 -1.49500 -0.26911
Ar -0.26287 -1.17930 1.32009
Ar -1.12791 0.07825 0.83715
Ar 0.00141 0.64897 0.32766
Ar -0.78470 -0.37172 -0.19690
Ar -0.06268 0.39507 -1.38465
Ar 0.55970 -1.41323 0.46799
Ar -0.16354 0.35835 -1.07480
Ar 0.04743 0.34392 0.13509
Ar -1.36274 0.80281 -0.01148
Ar 0.77908 -1.13698 0.42978
Ar 1.38616 0.29383 -0.89156
Ar 0.64321 -1.18180 -1.44317
Ar 1.34725 0.58846 -1.51498
Ar -0.10720 1.27984 1.44544
Ar 0.34377 -2.02337 0.78537
Ar -0.34567 -0.53046 0.02375
Ar 0.46273 -0.28031 1.43508
Ar 0.38325 1.43463 0.29124
Ar -0.50580 -0.16320 1.66653
Ar -1.08853 1.95629 -0.29057
Ar -0.48573 -0.48025 1.17732
Ar 0.26977 -1.51340 -0.23274
Ar -0.89344 -1.69985 0.33969
Ar 1.64844 1.48550 -0.06837
Ar -0.43035 1.11324 0.33983
Ar -0.98262 0.17717 0.02886
Ar -2.18393 -0.54878 0.42649
Ar -0.96724 -0.10566 -2.11497
Ar 0.23142 1.72409 -0.85241
Ar -0.52578 0.35812 0.62568
Ar -1.35876 -0.70116 -0.65152
Ar 0.17990 0.46390 -0.81784
Ar -0.99466 -1.17543 1.26889
Ar -1.24564 1.07529 0.54159
Ar -1.02117 -0.06206 1.14696
Ar 1.22292 0.91349 -1.54936
Ar -0.67795 -1.80527 -0.05146
Ar 1.31806 1.24444 -0.43308
Ar 0.48733 0.17691 0.42956
Ar 0.20645 0.06985 1.94579
Ar 1.40410 -1.07204 0.98104
Ar 0.41012 -0.87350 -1.17153
Ar 1.59758 0.61420 0.23437
Ar 0.41907 -0.45303 0.01330
Ar -0.42045 0.15484 1.09663
Ar 1.57012 -0.77726 -0.72281
Ar 1.55207 -1.30408 0.54364
Ar -0.29276 0.06726 -2.25507
Ar 0.59209 -0.83332 -1.90508
Ar -0.37290 0.96186 -0.89272
Ar 0.48699 1.45143 1.15219
Ar -0.25769 0.58229 0.12042
Ar -0.17869 -1.65977 -1.47043
Ar 1.45101 1.10364 0.29980
Ar 1.36171 -1.23394 0.17835
Ar -1.44586 -0.99988 -1.41116
Ar 1.21824 -0.48280 0.22182
125
Energy =     1 kcal/mol
Ar -2.04260 -1.01210 -0.18440
Ar 1.84204 0.42188 -1.03757
Ar 0.10145 -0.14904 -0.23634
Ar -0.52569 -1.18389 0.41266
Ar 0.94773 0.48316 -1.46390
Ar -1.62127 -0.39292 0.04847
Ar -1.15168 0.35988 1.76971
Ar -1.05806 -1.10577 -0.61061
Ar -0.55917 0.63993 -0.01278
Ar 0.68862 1.46747 0.34896
Ar 1.70095 0.91781 0.81319
Ar 0.14844 0.15399 -1.16821
Ar -0.52450 -2.03235 -0.41157
Ar 1.22789 -0.44138 1.39036
Ar -0.53677 -2.01084 -1.09718
Ar 0.21966 -0.98949 -0.13111
Ar -1.75086 -0.20994 1.13253
Ar 1.02478 -1.10009 -0.69574
Ar 0.77527 -0.42706 0.10058
Ar -1.57873 -0.51314 -1.25405
Ar -1.45203 0.47155 -0.72389
Ar -1.55353 -0.99914 -0.21738
Ar 0.11198 -0.05118 -2.22999
Ar 1.28267 0.39651 -0.38657
Ar 0.02628 0.31433 1.92608
Ar 0.82988 1.17277 -0.53970
Ar -0.35764 2.14714 -0.21473
Ar -0.89398 -0.66643 0.13669
Ar -1.73592 0.42063 -0.96049
Ar 0.24186 0.54416 0.64772
Ar -0.05629 1.65043 -0.06127
Ar 0.87844 1.57164 -0.44180
Ar -0.83880 -1.05855 -1.23395
Ar 0.84378 0.28801 -1.04402
Ar 0.00364 0.15214 -1.95355
Ar 0.46117 1.48516 1.62093
Ar -0.46712 -0.77988 -1.29278
Ar -0.68562 0.35483 1.10625
Ar -1.59990 -0.62700 0.58990
Ar -0.39436 1.23921 0.64106
Ar 1.44551 -1.18515 -0.36152
Ar -0.77485 0.46968 -1.78014
Ar -0.92956 -0.64675 -1.28297
Ar -0.29936 1.64335 -1.48118
Ar 0.44461 -0.72921 0.86679
Ar -1.36737 -0.25878 -0.90157
Ar 1.63488 0.27583 -0.23295
Ar -0.67579 0.79753 -0.88288
Ar 1.20846 1.50449 0.05840
Ar -0.90789 -0.92377 1.82822
Ar 0.83190 -0.11125 -1.42277
Ar 1.57903 -0.27822 0.66488
Ar -1.10854 1.48265 -0.38180
Ar 0.19183 0.85038 -1.79451
Ar 0.16292 -1.62727 0.25201
Ar -0.70062 0.11912 2.18404
Ar 1.31884 -0.66352 -1.07919
Ar 1.29547 -0.85192 -0.07770
Ar -0.77585 0.43479 -1.17018
Ar -0.61732 0.38492 -0.26481
Ar -0.90256 1.28601 -0.16456
Ar -1.46030 -0.14589 -0.54809
Ar -0.01097 -1.24302 -0.06021
Ar 1.27010 0.58231 1.64903
Ar -0.08958 -1.00086 1.86226
Ar 0.95084 -0.78727 0.12771
Ar -0.19079 -0.34682 1.88384
Ar -0.65929 -1.46372 -0.28953
Ar -0.32309 -1.18289 1.36522
Ar -1.02414 0.00734 0.84636
Ar -0.06672 0.74498 0.33995
Ar -0.88554 -0.34070 -0.09106
Ar -0.03180 0.36204 -1.55798
Ar 0.49537 -1.35324 0.46945
Ar -0.24412 0.41973 -1.10250
Ar 0.08659 0.38647 0.09822
Ar -1.40428 0.80501 0.10767
Ar 0.76545 -1.04837 0.34395
Ar 1.36893 0.19376 -0.85885
Ar 0.69184 -1.12508 -1.37152
Ar 1.33589 0.59119 -1.49646
Ar -0.08845 1.30250 1.54910
Ar 0.44836 -1.95334 0.85240
Ar -0.33448 -0.51764 0.00919
Ar 0.44746 -0.20246 1.36426
Ar 0.33739 1.44386 0.23644
Ar -0.49303 -0.21943 1.71797
Ar -1.08314 1.82745 -0.28237
Ar -0.49210 -0.48070 1.22628
Ar 0.23073 -1.48533 -0.28071
Ar -0.94031 -1.78084 0.27879
Ar 1.60603 1.45141 -0.14852
Ar -0.52561 1.08322 0.25978
Ar -0.94179 0.16192 -0.04122
Ar -2.12234 -0.64267 0.32955
Ar -0.91943 -0.06676 -2.07216
Ar 0.24682 1.69081 -0.90509
Ar -0.48259 0.36130 0.71411
Ar -1.39263 -0.66948 -0.63319
Ar 0.17077 0.36125 -0.91235
Ar -0.94622 -1.25855 1.21677
Ar -1.21444 0.97547 0.55080
Ar -0.91105 -0.02320 1.22573
Ar 1.32356 0.96595 -1.62682
Ar -0.67218 -1.78168 -0.04665
Ar 1.25236 1.26807 -0.45971
Ar 0.43777 0.09959 0.29896
Ar 0.23005 -0.01881 1.95737
Ar 1.41315 -1.10553 0.89991
Ar 0.40500 -0.86788 -1.23038
Ar 1.56686 0.73441 0.07896
Ar 0.36879 -0.52708 0.08797
Ar -0.40901 0.10574 0.99306
Ar 1.41948 -0.92404 -0.80306
Ar 1.69851 -1.26272 0.77839
Ar -0.21558 -0.02324 -2.26338
Ar 0.66875 -0.87795 -1.78099
Ar -0.35929 1.00196 -0.87543
Ar 0.46504 1.44866 1.13935
Ar -0.20993 0.53344 0.01467
Ar -0.19334 -1.56523 -1.48648
Ar 1.40540 1.17735 0.26310
Ar 1.27890 -1.32111 0.14860
Ar -1.57560 -1.04275 -1.28745
Ar 1.12403 -0.47806 0.16340
125
Energy =     1 kcal/mol
Ar -1.93266 -0.90406 -0.17160
Ar 1.84857 0.41981 -1.05842
Ar -0.01670 -0.12044 -0.30333
Ar -0.51991 -1.15160 0.29127
Ar 0.91671 0.56822 -1.39545
Ar -1.53246 -0.41491 0.10616
Ar -1.09398 0.31360 1.83447
Ar -1.00560 -1.14987 -0.73424
Ar -0.47969 0.62437 0.06334
Ar 0.70489 1.41126 0.31462
Ar 1.68014 0.90936 0.74577
Ar 0.08180 0.01514 -1.16376
Ar -0.48499 -2.00757 -0.36660
Ar 1.23978 -0.33888 1.33188
Ar -0.57085 -1.89214 -0.99981
Ar 0.26631 -1.03121 -0.21678
Ar -1.76523 -0.19839 1.27949
Ar 1.05576 -1.16467 -0.61006
Ar 0.64832 -0.51023 -0.00244
Ar -1.72018 -0.54293 -1.46621
Ar -1.39099 0.56397 -0.71645
Ar -1.60254 -1.03107 -0.24513
Ar 0.14921 -0.27663 -2.26584
Ar 1.32666 0.42289 -0.29428
Ar -0.04695 0.27396 1.95517
Ar 0.96732 1.10234 -0.53158
Ar -0.28452 2.23005 -0.15908
Ar -0.83315 -0.67152 0.21212
Ar -1.75303 0.40154 -0.90552
Ar 0.24531 0.55394 0.66210
Ar -0.15904 1.64279 -0.04790
Ar 0.95061 1.49952 -0.41621
Ar -0.82440 -1.10684 -1.18411
Ar 0.80975 0.17055 -1.08044
Ar 0.12136 0.15646 -1.90283
Ar 0.43701 1.41096 1.46688
Ar -0.46379 -0.72167 -1.24076
Ar -0.59853 0.31394 1.07917
Ar -1.59691 -0.65491 0.64449
Ar -0.41472 1.31045 0.67244
Ar 1.49090 -1.23904 -0.39504
Ar -0.65278 0.46747 -1.64869
Ar -0.99985 -0.54587 -1.34279
Ar -0.33559 1.67488 -1.47815
Ar 0.30416 -0.84700 0.98758
Ar -1.33465 -0.30449 -0.88767
Ar 1.63756 0.30292 -0.18361
Ar -0.71696 0.86160 -0.77526
Ar 1.20723 1.40851 0.02756
Ar -0.98713 -0.92273 1.79901
Ar 0.78038 -0.14416 -1.32775
Ar 1.62368 -0.29940 0.67671
Ar -1.04202 1.40474 -0.43541
Ar 0.32194 0.94271 -1.86799
Ar 0.19942 -1.70428 0.24481
Ar -0.71142 0.15123 2.18466
Ar 1.32863 -0.59122 -1.18809
Ar 1.17939 -0.86320 -0.09250
Ar -0.71609 0.42584 -1.23035
Ar -0.66572 0.31375 -0.10513
Ar -0.95236 1.19701 -0.16041
Ar -1.38880 -0.12797 -0.48848
Ar 0.00009 -1.31567 -0.10066
Ar 1.29519 0.62402 1.57529
Ar -0.12299 -1.03227 1.69506
Ar 0.87305 -0.75651 0.08700
Ar -0.06894 -0.26799 1.83359
Ar -0.79278 -1.43769 -0.30644
Ar -0.38327 -1.18546 1.41180
Ar -0.93943 -0.04376 0.78918
Ar -0.11620 0.84563 0.37165
Ar -0.98592 -0.31159 0.01836
Ar -0.02272 0.37346 -1.66785
Ar 0.43106 -1.29180 0.46704
Ar -0.31896 0.47924 -1.13065
Ar 0.16685 0.40682 0.07467
Ar -1.44382 0.80826 0.22952
Ar 0.73423 -0.98559 0.27788
Ar 1.35114 0.09608 -0.82463
Ar 0.73638 -1.06218 -1.30141
Ar 1.31944 0.59127 -1.47720
Ar -0.06804 1.32559 1.65252
Ar 0.55287 -1.88281 0.91897
Ar -0.32457 -0.50447 -0.00571
Ar 0.43185 -0.12466 1.29385
Ar 0.26569 1.44939 0.17266
Ar -0.48337 -0.27454 1.76657
Ar -1.07693 1.71461 -0.26783
Ar -0.49894 -0.47891 1.27702
Ar 0.19309 -1.45547 -0.32804
Ar -0.98235 -1.86133 0.21221
Ar 1.55455 1.41509 -0.22608
Ar -0.63049 1.03887 0.13821
Ar -0.92620 0.12568 -0.10621
Ar -2.05848 -0.73679 0.23181
Ar -0.84498 -0.02461 -1.97131
Ar 0.26224 1.65733 -0.95761
Ar -0.44199 0.37739 0.79654
Ar -1.42584 -0.63461 -0.61584
Ar 0.16956 0.33701 -0.92577
Ar -0.89693 -1.34124 1.16512
Ar -1.18416 0.87455 0.55678
Ar -0.77432 0.00164 1.37028
Ar 1.33456 0.95426 -1.59628
Ar -0.66873 -1.75578 -0.04426
Ar 1.20589 1.30655 -0.47850
Ar 0.38476 0.02455 0.16678
Ar 0.25951 -0.12761 1.97044
Ar 1.40960 -1.13235 0.82285
Ar 0.40466 -0.86599 -1.29232
Ar 1.53473 0.85606 -0.07683
Ar 0.32269 -0.60072 0.16115
Ar -0.39981 0.04487 0.89737
Ar 1.27068 -1.07537 -0.87514
Ar 1.78127 -1.17531 0.96954
Ar -0.20922 -0.10842 -2.28818
Ar 0.74500 -0.92470 -1.65170
Ar -0.34378 1.04260 -0.85772
Ar 0.44273 1.44604 1.12993
Ar -0.19306 0.48692 -0.12583
Ar -0.20837 -1.47085 -1.50202
Ar 1.37061 1.23899 0.23416
Ar 1.19558 -1.40356 0.11656
Ar -1.69229 -1.07521 -1.15427
Ar 1.05798 -0.46459 0.10729
125
Energy =     1 kcal/mol
Ar -1.83779 -0.78315 -0.15309
Ar 1.85389 0.41746 -1.07912
Ar -0.13506 -0.09164 -0.36827
Ar -0.51452 -1.11847 0.16878
Ar 0.89248 0.65192 -1.32671
Ar -1.44193 -0.43775 0.16377
Ar -1.03371 0.26607 1.90025
Ar -0.95291 -1.19424 -0.85722
Ar -0.42826 0.62328 0.14845
Ar 0.71807 1.35524 0.27766
Ar 1.65896 0.90119 0.67773
Ar 0.00933 -0.15075 -1.18941
Ar -0.44847 -1.97829 -0.31756
Ar 1.25165 -0.23636 1.27312
Ar -0.59814 -1.74883 -0.88865
Ar 0.31076 -1.07925 -0.30082
Ar -1.77943 -0.18692 1.42628
Ar 1.08255 -1.23229 -0.51201
Ar 0.50019 -0.57110 -0.11269
Ar -1.64313 -0.50537 -1.48812
Ar -1.33408 0.65405 -0.71130
Ar -1.63472 -1.07223 -0.27916
Ar 0.19634 -0.49476 -2.25333
Ar 1.25912 0.49269 -0.24534
Ar -0.11856 0.22820 1.98376
Ar 1.01522 0.97330 -0.54026
Ar -0.21080 2.30773 -0.10304
Ar -0.77253 -0.67216 0.28426
Ar -1.76520 0.38420 -0.84792
Ar 0.24662 0.56426 0.67400
Ar -0.25972 1.63458 -0.03331
Ar 0.95184 1.46813 -0.36963
Ar -0.80860 -1.15188 -1.13402
Ar 0.78128 0.08245 -1.10192
Ar 0.28713 0.06413 -1.97871
Ar 0.40907 1.32086 1.39683
Ar -0.46396 -0.66490 -1.18864
Ar -0.54579 0.25095 1.11139
Ar -1.59432 -0.68227 0.69728
Ar -0.43494 1.38037 0.70211
Ar 1.53037 -1.29058 -0.43003
Ar -0.51858 0.46878 -1.54245
Ar -1.06904 -0.44657 -1.40116
Ar -0.37169 1.70629 -1.47492
Ar 0.16365 -0.96493 1.10808
Ar -1.30381 -0.35301 -0.86525
Ar 1.75222 0.28980 -0.09091
Ar -0.75285 0.92743 -0.66918
Ar 1.14637 1.38086 -0.09095
Ar -1.06589 -0.92166 1.76936
Ar 0.72440 -0.20415 -1.24897
Ar 1.66802 -0.32078 0.68861
Ar -0.98927 1.32941 -0.52749
Ar 0.45183 1.03439 -1.94116
Ar 0.23660 -1.77711 0.23679
Ar -0.69887 0.17869 2.10684
Ar 1.33774 -0.52053 -1.29562
Ar 1.07975 -0.88303 -0.11538
Ar -0.66993 0.41125 -1.26547
Ar -0.60328 0.32151 0.04047
Ar -0.98861 1.08600 -0.12816
Ar -1.31571 -0.11480 -0.43377
Ar -0.02367 -1.36054 -0.09594
Ar 1.32026 0.66572 1.50149
Ar -0.15025 -1.06037 1.52922
Ar 0.81642 -0.71284 0.00638
Ar 0.03182 -0.18947 1.77238
Ar -0.92463 -1.41621 -0.32027
Ar -0.45098 -1.19061 1.45618
Ar -0.85072 -0.09330 0.73463
Ar -0.16729 0.94288 0.40108
Ar -1.08564 -0.28255 0.12870
Ar -0.06383 0.47910 -1.65155
Ar 0.36881 -1.22837 0.46068
Ar -0.38798 0.54016 -1.15768
Ar 0.24533 0.42368 0.05154
Ar -1.47926 0.81253 0.35562
Ar 0.65736 -0.99074 0.26681
Ar 1.33279 -0.00051 -0.79038
Ar 0.77672 -1.00245 -1.20812
Ar 1.29680 0.57604 -1.45347
Ar -0.04553 1.34901 1.75505
Ar 0.65725 -1.81196 0.98518
Ar -0.31509 -0.49084 -0.02063
Ar 0.41584 -0.04702 1.22392
Ar 0.19611 1.45536 0.10922
Ar -0.47032 -0.32860 1.81237
Ar -1.07150 1.62025 -0.24339
Ar -0.50623 -0.47420 1.33040
Ar 0.19379 -1.44664 -0.41721
Ar -1.01884 -1.93969 0.14089
Ar 1.51200 1.37775 -0.28118
Ar -0.73033 0.98850 0.01752
Ar -1.01803 0.00810 -0.15485
Ar -1.99334 -0.83192 0.13390
Ar -0.76981 0.01824 -1.86984
Ar 0.27755 1.62370 -1.01010
Ar -0.37426 0.43756 0.80716
Ar -1.45780 -0.59407 -0.60058
Ar 0.17163 0.34172 -0.91116
Ar -0.84648 -1.42335 1.11416
Ar -1.15688 0.77271 0.55781
Ar -0.63361 0.02828 1.51048
Ar 1.27855 0.90880 -1.48820
Ar -0.66938 -1.72974 -0.04591
Ar 1.30639 1.36023 -0.50939
Ar 0.32859 -0.04723 0.03271
Ar 0.30302 -0.23168 1.99330
Ar 1.40825 -1.15853 0.74747
Ar 0.41002 -0.86623 -1.35675
Ar 1.50001 0.97953 -0.23308
Ar 0.27910 -0.67614 0.23291
Ar -0.38926 -0.04392 0.81699
Ar 1.12964 -1.22217 -0.95662
Ar 1.64655 -0.94312 1.04500
Ar -0.21291 -0.18832 -2.28214
Ar 0.82066 -0.96571 -1.54206
Ar -0.33377 1.07965 -0.83911
Ar 0.42206 1.45883 1.03711
Ar -0.14906 0.42866 -0.27035
Ar -0.22365 -1.37632 -1.51720
Ar 1.40003 1.22988 0.27915
Ar 1.11180 -1.48320 0.08321
Ar -1.75281 -1.07077 -0.98234
Ar 1.01389 -0.41634 0.05179
125
Energy =     1 kcal/mol
Ar -1.72846 -0.64443 -0.17397
Ar 1.85839 0.41508 -1.09991
Ar -0.25309 -0.06098 -0.43086
Ar -0.50953 -1.08394 0.04577
Ar 0.87751 0.73554 -1.26068
Ar -1.38105 -0.48404 0.22151
Ar -0.98809 0.21948 1.96027
Ar -0.96577 -1.25966 -0.85878
Ar -0.37032 0.63572 0.23580
Ar 0.73112 1.29953 0.23855
Ar 1.63693 0.89401 0.60842
Ar -0.06279 -0.31513 -1.21428
Ar -0.41587 -1.94411 -0.26463
Ar 1.26366 -0.13397 1.21403
Ar -0.62594 -1.60437 -0.77667
Ar 0.35211 -1.13222 -0.38236
Ar -1.73231 -0.16928 1.52164
Ar 1.11404 -1.29882 -0.41302
Ar 0.33781 -0.62499 -0.22216
Ar -1.42371 -0.42382 -1.38355
Ar -1.27848 0.74309 -0.70662
Ar -1.65599 -1.11960 -0.31735
Ar 0.23190 -0.68900 -2.13403
Ar 1.19423 0.56454 -0.19654
Ar -0.19040 0.17779 2.01031
Ar 1.06602 0.84878 -0.54573
Ar -0.12741 2.27297 -0.04232
Ar -0.71158 -0.67159 0.35411
Ar -1.77468 0.36805 -0.78934
Ar 0.24635 0.57472 0.68477
Ar -0.35774 1.62531 -0.01773
Ar 0.88036 1.47179 -0.38330
Ar -0.72574 -1.17605 -1.20376
Ar 0.76873 0.08318 -1.07319
Ar 0.45136 -0.02833 -2.05426
Ar 0.37894 1.22180 1.36803
Ar -0.46502 -0.60874 -1.13655
Ar -0.49932 0.17690 1.15570
Ar -1.59153 -0.70916 0.74861
Ar -0.45450 1.44915 0.73073
Ar 1.56328 -1.34106 -0.46586
Ar -0.35306 0.48385 -1.53198
Ar -1.13760 -0.34694 -1.45879
Ar -0.40687 1.73421 -1.46866
Ar 0.05185 -1.08176 1.19820
Ar -1.27327 -0.40155 -0.83908
Ar 1.86443 0.27793 0.00097
Ar -0.78382 0.99160 -0.56228
Ar 1.14763 1.32465 -0.15316
Ar -1.14416 -0.92055 1.73940
Ar 0.65297 -0.35251 -1.22041
Ar 1.71199 -0.34255 0.70091
Ar -0.93877 1.25653 -0.61334
Ar 0.57280 1.10776 -1.98135
Ar 0.27353 -1.84756 0.22813
Ar -0.66864 0.20356 2.03188
Ar 1.34585 -0.44989 -1.40278
Ar 1.02421 -0.93024 -0.16056
Ar -0.72373 0.35375 -1.21359
Ar -0.54501 0.32067 0.18220
Ar -1.12738 1.01674 -0.15568
Ar -1.27875 -0.11319 -0.42335
Ar -0.04906 -1.39981 -0.08623
Ar 1.34531 0.70737 1.42759
Ar -0.16796 -1.07171 1.40630
Ar 0.70884 -0.67733 -0.04779
Ar 0.09882 -0.11014 1.69260
Ar -1.05407 -1.39715 -0.33290
Ar -0.55858 -1.21325 1.48663
Ar -0.75633 -0.14173 0.68115
Ar -0.22092 1.03727 0.42875
Ar -1.15338 -0.22827 0.23439
Ar -0.08775 0.58906 -1.64100
Ar 0.30996 -1.16099 0.45005
Ar -0.40416 0.62424 -1.17003
Ar 0.32117 0.43660 0.02699
Ar -1.51184 0.81659 0.48304
Ar 0.57496 -0.99359 0.25368
Ar 1.31378 -0.09674 -0.75669
Ar 0.80931 -0.95231 -1.06055
Ar 1.27039 0.50665 -1.41984
Ar -0.02178 1.37229 1.85647
Ar 0.76153 -1.74090 1.05117
Ar -0.30574 -0.47672 -0.03555
Ar 0.39937 0.03051 1.15445
Ar 0.12534 1.46170 0.04571
Ar -0.45568 -0.37911 1.85281
Ar -1.06454 1.52067 -0.22152
Ar -0.51334 -0.46651 1.38757
Ar 0.20015 -1.43673 -0.50990
Ar -1.05029 -2.01491 0.06649
Ar 1.57661 1.36888 -0.21246
Ar -0.72453 0.89662 -0.04798
Ar -1.07441 -0.10709 -0.15710
Ar -1.95052 -0.93615 0.07829
Ar -0.69389 0.06180 -1.76736
Ar 0.29268 1.58993 -1.06257
Ar -0.29938 0.49812 0.80457
Ar -1.48955 -0.55101 -0.58441
Ar 0.17257 0.34492 -0.89762
Ar -0.79484 -1.50460 1.06424
Ar -1.13143 0.67113 0.55670
Ar -0.49042 0.05356 1.64974
Ar 1.21690 0.91613 -1.38610
Ar -0.67281 -1.70686 -0.05171
Ar 1.31400 1.38543 -0.65251
Ar 0.27098 -0.11692 -0.10229
Ar 0.37483 -0.33321 2.03544
Ar 1.40950 -1.18251 0.67499
Ar 0.42497 -0.86903 -1.42115
Ar 1.45556 1.08938 -0.39524
Ar 0.24252 -0.75415 0.29960
Ar -0.38566 -0.12595 0.73985
Ar 0.98609 -1.36606 -1.03683
Ar 1.50486 -0.70991 1.11479
Ar -0.21059 -0.26777 -2.24588
Ar 0.89784 -0.99596 -1.48398
Ar -0.32821 1.11428 -0.81919
Ar 0.40228 1.48046 0.90368
Ar -0.10549 0.36811 -0.41038
Ar -0.23921 -1.28149 -1.53193
Ar 1.43070 1.21841 0.32243
Ar 1.02774 -1.56091 0.04871
Ar -1.80967 -1.06375 -0.80765
Ar 0.98334 -0.34791 -0.00228
125
Energy =     1 kcal/mol
Ar -1.61292 -0.50780 -0.20190
Ar 1.86214 0.41275 -1.12085
Ar -0.36850 -0.02613 -0.49176
Ar -0.50400 -1.04884 -0.07698
Ar 0.86274 0.81574 -1.19476
Ar -1.37671 -0.57825 0.27786
Ar -1.01263 0.17817 1.99955
Ar -0.98971 -1.33223 -0.83330
Ar -0.30683 0.66256 0.32697
Ar 0.74512 1.24406 0.19771
Ar 1.61281 0.89003 0.53628
Ar -0.13737 -0.48113 -1.23835
Ar -0.38747 -1.90508 -0.20852
Ar 1.27619 -0.03272 1.15455
Ar -0.65703 -1.45668 -0.66480
Ar 0.39877 -1.17309 -0.45656
Ar -1.58763 -0.14193 1.53375
Ar 1.14891 -1.36239 -0.31075
Ar 0.17964 -0.68013 -0.32619
Ar -1.36110 -0.39096 -1.21937
Ar -1.22132 0.83330 -0.70057
Ar -1.67964 -1.16163 -0.35534
Ar 0.26673 -0.88184 -2.01284
Ar 1.12884 0.64026 -0.15179
Ar -0.25544 0.12825 2.05199
Ar 1.12182 0.72624 -0.54582
Ar -0.04190 2.20918 0.01944
Ar -0.64992 -0.67015 0.42243
Ar -1.78309 0.35221 -0.73047
Ar 0.24374 0.58491 0.69530
Ar -0.45302 1.61485 -0.00162
Ar 0.77485 1.49261 -0.44068
Ar -0.62743 -1.19594 -1.29762
Ar 0.75585 0.08219 -1.04491
Ar 0.61511 -0.12127 -2.12975
Ar 0.34840 1.12422 1.33699
Ar -0.46373 -0.55146 -1.08529
Ar -0.45105 0.10125 1.19824
Ar -1.58828 -0.73557 0.79869
Ar -0.47312 1.51644 0.75801
Ar 1.58993 -1.39084 -0.50090
Ar -0.32919 0.45018 -1.46364
Ar -1.04813 -0.19830 -1.57294
Ar -0.43396 1.72810 -1.43353
Ar 0.12311 -1.19628 1.10261
Ar -1.23930 -0.44514 -0.81693
Ar 1.97620 0.26626 0.09279
Ar -0.75958 0.96030 -0.43060
Ar 1.19713 1.24627 -0.17755
Ar -1.22190 -0.91948 1.70916
Ar 0.58201 -0.50068 -1.19160
Ar 1.75521 -0.36493 0.71423
Ar -0.94531 1.27890 -0.71523
Ar 0.64067 1.07724 -1.83514
Ar 0.31010 -1.91677 0.21896
Ar -0.56613 0.22270 1.97566
Ar 1.35315 -0.37932 -1.50952
Ar 0.96695 -0.98007 -0.20733
Ar -0.77798 0.29596 -1.16477
Ar -0.49201 0.31057 0.32214
Ar -1.27664 0.95547 -0.19419
Ar -1.33184 -0.13145 -0.52035
Ar -0.07210 -1.43841 -0.07999
Ar 1.37034 0.74894 1.35356
Ar -0.36965 -1.08463 1.46952
Ar 0.59805 -0.64319 -0.09986
Ar 0.16448 -0.03052 1.61632
Ar -1.18181 -1.37860 -0.34672
Ar -0.66668 -1.23635 1.51514
Ar -0.68848 -0.19010 0.62282
Ar -0.27670 1.12831 0.45505
Ar -1.16270 -0.12502 0.33417
Ar 0.02637 0.74710 -1.68295
Ar 0.24537 -1.11237 0.44924
Ar -0.41650 0.70797 -1.18456
Ar 0.39570 0.44781 0.00183
Ar -1.53896 0.81863 0.61111
Ar 0.49959 -0.98603 0.22880
Ar 1.29409 -0.19276 -0.72353
Ar 0.84258 -0.90596 -0.91736
Ar 1.24002 0.44019 -1.38358
Ar 0.00314 1.32868 1.86592
Ar 0.86577 -1.66970 1.11701
Ar -0.29619 -0.46242 -0.05051
Ar 0.38224 0.10807 1.08550
Ar 0.05197 1.46848 -0.01763
Ar -0.44108 -0.42476 1.88669
Ar -1.05624 1.41488 -0.20293
Ar -0.51945 -0.45656 1.44973
Ar 0.19861 -1.43633 -0.60337
Ar -1.06552 -2.06237 -0.00943
Ar 1.64291 1.39097 -0.13047
Ar -0.70412 0.79925 -0.10834
Ar -1.04385 -0.21089 -0.04858
Ar -1.90725 -1.04093 0.02395
Ar -0.61728 0.10645 -1.66306
Ar 0.30767 1.55600 -1.11498
Ar -0.22452 0.55635 0.80161
Ar -1.52595 -0.50931 -0.55867
Ar 0.17211 0.34776 -0.88251
Ar -0.74234 -1.58481 1.01560
Ar -1.11057 0.57147 0.55415
Ar -0.35282 0.07009 1.77111
Ar 1.15906 0.92315 -1.28533
Ar -0.67559 -1.68794 -0.06119
Ar 1.31725 1.40793 -0.79013
Ar 0.21266 -0.18793 -0.23802
Ar 0.44421 -0.43303 2.07496
Ar 1.41089 -1.20569 0.60311
Ar 0.44607 -0.87212 -1.48397
Ar 1.39405 1.16854 -0.56666
Ar 0.20793 -0.81892 0.35792
Ar -0.35644 -0.20558 0.66861
Ar 0.84016 -1.50430 -1.11723
Ar 1.36287 -0.47565 1.18303
Ar -0.20733 -0.34769 -2.20907
Ar 0.97065 -1.02487 -1.42083
Ar -0.32545 1.14740 -0.79849
Ar 0.38228 1.50050 0.77260
Ar -0.06221 0.30232 -0.55103
Ar -0.25597 -1.18616 -1.54557
Ar 1.46235 1.20437 0.36472
Ar 0.94392 -1.63633 0.01194
Ar -1.86488 -1.05629 -0.62960
Ar 0.94866 -0.28507 -0.05746
125
Energy =     1 kcal/mol
Ar -1.49599 -0.36899 -0.21022
Ar 1.86517 0.41048 -1.14195
Ar -0.47958 0.01209 -0.55262
Ar -0.49743 -1.01417 -0.19963
Ar 0.78683 0.87247 -1.11029
Ar -1.37159 -0.66921 0.33292
Ar -1.03456 0.13710 2.03781
Ar -1.00978 -1.40617 -0.80439
Ar -0.24440 0.68918 0.42284
Ar 0.76020 1.18863 0.15561
Ar 1.59074 0.87935 0.46539
Ar -0.20302 -0.64824 -1.26797
Ar -0.36096 -1.86222 -0.15080
Ar 1.28973 0.06568 1.09473
Ar -0.69239 -1.30715 -0.55337
Ar 0.45269 -1.20125 -0.52378
Ar -1.44250 -0.11460 1.54573
Ar 1.18260 -1.42318 -0.20552
Ar 0.02575 -0.73323 -0.42635
Ar -1.32385 -0.36235 -1.05099
Ar -1.16117 0.92686 -0.69098
Ar -1.66312 -1.22694 -0.34638
Ar 0.30206 -1.07405 -1.88927
Ar 1.06351 0.71909 -0.11345
Ar -0.22920 0.10072 2.25186
Ar 1.17943 0.60576 -0.53977
Ar 0.04346 2.14477 0.08118
Ar -0.58763 -0.66470 0.49076
Ar -1.79079 0.33613 -0.67141
Ar 0.23610 0.59437 0.70674
Ar -0.54597 1.60302 0.01464
Ar 0.67219 1.51163 -0.49688
Ar -0.52860 -1.21655 -1.39045
Ar 0.74286 0.08067 -1.01674
Ar 0.77544 -0.21352 -2.19556
Ar 0.31750 1.02701 1.30575
Ar -0.47126 -0.49361 -1.02866
Ar -0.40197 0.02434 1.24156
Ar -1.58438 -0.76152 0.84736
Ar -0.49058 1.58166 0.78342
Ar 1.61210 -1.44024 -0.53418
Ar -0.31185 0.41554 -1.39245
Ar -0.93373 -0.04049 -1.69627
Ar -0.45993 1.71765 -1.39473
Ar 0.19429 -1.31049 1.00612
Ar -1.20572 -0.48743 -0.78236
Ar 2.08778 0.25468 0.18466
Ar -0.74295 0.95589 -0.34056
Ar 1.25159 1.16737 -0.20728
Ar -1.29505 -0.91572 1.67346
Ar 0.51121 -0.65230 -1.16421
Ar 1.79763 -0.38741 0.72837
Ar -0.95791 1.30691 -0.81622
Ar 0.70475 1.03950 -1.67613
Ar 0.34657 -1.98515 0.20935
Ar -0.52287 0.26916 1.93676
Ar 1.36002 -0.30878 -1.61593
Ar 0.90835 -1.03350 -0.25491
Ar -0.82849 0.23950 -1.11865
Ar -0.43721 0.30350 0.46342
Ar -1.42089 0.89623 -0.23608
Ar -1.38570 -0.16007 -0.61945
Ar -0.09597 -1.47719 -0.07520
Ar 1.39534 0.79038 1.27936
Ar -0.52096 -1.06904 1.52570
Ar 0.48567 -0.61209 -0.15155
Ar 0.22760 0.04955 1.54049
Ar -1.30976 -1.35907 -0.36305
Ar -0.82591 -1.28731 1.54996
Ar -0.68685 -0.23831 0.55281
Ar -0.33353 1.21703 0.48116
Ar -1.16958 -0.02593 0.42855
Ar 0.14217 0.90541 -1.72475
Ar 0.18614 -1.19598 0.49720
Ar -0.42888 0.78773 -1.20119
Ar 0.46987 0.45870 -0.02345
Ar -1.56250 0.81877 0.73878
Ar 0.44291 -0.97358 0.18796
Ar 1.27373 -0.28866 -0.69060
Ar 0.87515 -0.86028 -0.77749
Ar 1.20783 0.37835 -1.34541
Ar 0.02869 1.23963 1.81249
Ar 0.96994 -1.59838 1.18273
Ar -0.28557 -0.44860 -0.06601
Ar 0.36410 0.18610 1.01711
Ar -0.02409 1.47578 -0.08038
Ar -0.42680 -0.46634 1.91358
Ar -1.04722 1.30401 -0.18690
Ar -0.52384 -0.44509 1.51805
Ar 0.18933 -1.44600 -0.70073
Ar -1.02349 -2.00132 -0.08583
Ar 1.70229 1.40953 -0.04947
Ar -0.67487 0.66806 -0.12473
Ar -1.01711 -0.31439 0.06472
Ar -1.86033 -1.14600 -0.03632
Ar -0.54073 0.15321 -1.55492
Ar 0.32257 1.52182 -1.16730
Ar -0.14679 0.61467 0.79289
Ar -1.55732 -0.46650 -0.55282
Ar 0.18386 0.35641 -0.88037
Ar -0.68953 -1.66422 0.96787
Ar -1.09250 0.47309 0.55134
Ar -0.24813 0.03078 1.71408
Ar 1.16425 0.94887 -1.20357
Ar -0.67749 -1.67122 -0.07291
Ar 1.30824 1.46915 -0.96392
Ar 0.15327 -0.26275 -0.37418
Ar 0.51304 -0.53233 2.11386
Ar 1.41209 -1.22880 0.53115
Ar 0.46945 -0.87321 -1.54556
Ar 1.33981 1.20793 -0.69325
Ar 0.15038 -0.75306 0.37741
Ar -0.26281 -0.28663 0.60650
Ar 0.69414 -1.63993 -1.19779
Ar 1.22049 -0.23832 1.25064
Ar -0.20382 -0.42773 -2.17193
Ar 1.04027 -1.05311 -1.35428
Ar -0.32454 1.17926 -0.77770
Ar 0.36212 1.51992 0.64161
Ar -0.03443 0.22586 -0.67774
Ar -0.27360 -1.08948 -1.55816
Ar 1.49154 1.19764 0.40255
Ar 0.86186 -1.70824 -0.02814
Ar -1.95937 -1.02327 -0.49267
Ar 0.91112 -0.22534 -0.11337
125
Energy =     1 kcal/mol
Ar -1.37593 -0.22532 -0.19945
Ar 1.86755 0.40823 -1.16312
Ar -0.58745 0.05135 -0.61456
Ar -0.48897 -0.97969 -0.32323
Ar 0.70366 0.92651 -1.02456
Ar -1.36589 -0.75846 0.38788
Ar -1.04469 0.09528 2.05698
Ar -1.02702 -1.47842 -0.77007
Ar -0.19058 0.71488 0.50237
Ar 0.77665 1.13227 0.11227
Ar 1.58103 0.83014 0.40280
Ar -0.26459 -0.81687 -1.30062
Ar -0.33197 -1.81546 -0.09250
Ar 1.30769 0.17992 1.02599
Ar -0.73225 -1.15911 -0.44276
Ar 0.50576 -1.22953 -0.59152
Ar -1.29693 -0.08726 1.55805
Ar 1.21201 -1.48321 -0.09985
Ar -0.12656 -0.78239 -0.52343
Ar -1.31754 -0.30224 -0.96473
Ar -1.09749 1.02566 -0.67867
Ar -1.68576 -1.28805 -0.33796
Ar 0.33922 -1.26299 -1.76052
Ar 0.99993 0.80119 -0.08028
Ar -0.18984 0.06863 2.32243
Ar 1.23591 0.48777 -0.52912
Ar 0.12867 2.07967 0.14287
Ar -0.52442 -0.65064 0.55939
Ar -1.79767 0.31943 -0.61216
Ar 0.23617 0.60011 0.71687
Ar -0.63723 1.58947 0.03080
Ar 0.57005 1.53003 -0.55299
Ar -0.47524 -1.26323 -1.45267
Ar 0.72985 0.07971 -0.98854
Ar 0.86424 -0.28568 -2.06219
Ar 0.28599 0.92981 1.27472
Ar -0.48316 -0.43616 -0.96957
Ar -0.35150 -0.05403 1.28930
Ar -1.57967 -0.78712 0.89440
Ar -0.50671 1.64398 0.80620
Ar 1.63209 -1.48946 -0.56601
Ar -0.28296 0.40103 -1.30768
Ar -0.81491 0.11957 -1.81707
Ar -0.48581 1.70694 -1.35570
Ar 0.26516 -1.42381 0.90639
Ar -1.14728 -0.55886 -0.66387
Ar 2.19921 0.24315 0.27661
Ar -0.74054 0.99064 -0.29199
Ar 1.30648 1.08605 -0.23862
Ar -1.34945 -0.89987 1.61433
Ar 0.44078 -0.80777 -1.14095
Ar 1.83972 -0.40973 0.74270
Ar -0.97205 1.32907 -0.91365
Ar 0.76801 1.00108 -1.51528
Ar 0.38341 -2.05264 0.19919
Ar -0.48188 0.31335 1.89875
Ar 1.36655 -0.23807 -1.72218
Ar 0.84902 -1.08969 -0.30472
Ar -0.87632 0.18266 -1.07501
Ar -0.37882 0.30227 0.60576
Ar -1.56183 0.83839 -0.28031
Ar -1.42925 -0.17222 -0.71719
Ar -0.12322 -1.51890 -0.07148
Ar 1.42028 0.83155 1.20491
Ar -0.65362 -1.04119 1.57956
Ar 0.37089 -0.58286 -0.20282
Ar 0.28739 0.12984 1.46401
Ar -1.35000 -1.36584 -0.39357
Ar -1.00447 -1.34864 1.58682
Ar -0.68305 -0.29123 0.48041
Ar -0.39099 1.30626 0.50843
Ar -1.17314 0.07084 0.52036
Ar 0.25895 1.06372 -1.76579
Ar 0.13002 -1.28055 0.54529
Ar -0.43957 0.86242 -1.21954
Ar 0.54457 0.46987 -0.04879
Ar -1.58501 0.81819 0.86604
Ar 0.38071 -0.95814 0.14899
Ar 1.25242 -0.38470 -0.65754
Ar 0.90621 -0.81550 -0.63664
Ar 1.17501 0.31784 -1.30609
Ar 0.05467 1.15019 1.75821
Ar 1.07403 -1.52696 1.24832
Ar -0.27318 -0.43600 -0.08277
Ar 0.34420 0.26625 0.94866
Ar -0.10231 1.48361 -0.14234
Ar -0.41321 -0.50552 1.93437
Ar -1.03565 1.18831 -0.17365
Ar -0.52588 -0.43182 1.59123
Ar 0.18285 -1.45295 -0.79573
Ar -0.97534 -1.93217 -0.16219
Ar 1.75817 1.42568 0.03266
Ar -0.63615 0.50163 -0.10033
Ar -0.99287 -0.41672 0.18229
Ar -1.83721 -1.24168 -0.06580
Ar -0.48328 0.18328 -1.45589
Ar 0.33759 1.48720 -1.21950
Ar -0.07228 0.67035 0.80275
Ar -1.59378 -0.44758 -0.56700
Ar 0.25179 0.39468 -0.93453
Ar -0.63667 -1.74323 0.92050
Ar -1.07470 0.37367 0.54807
Ar -0.14454 -0.01069 1.65108
Ar 1.17747 0.97768 -1.12274
Ar -0.68228 -1.65597 -0.08595
Ar 1.29496 1.54159 -1.15018
Ar 0.09265 -0.34257 -0.50938
Ar 0.58136 -0.63112 2.15134
Ar 1.41308 -1.25196 0.45895
Ar 0.49152 -0.87466 -1.60603
Ar 1.28687 1.23233 -0.80420
Ar 0.09500 -0.68666 0.39290
Ar -0.17412 -0.36942 0.54270
Ar 0.54806 -1.77469 -1.27816
Ar 1.07387 -0.01664 1.32690
Ar -0.20027 -0.50788 -2.13450
Ar 1.10817 -1.08084 -1.28679
Ar -0.32504 1.21009 -0.75733
Ar 0.34176 1.53894 0.51024
Ar -0.06532 0.11688 -0.74725
Ar -0.24441 -0.96404 -1.59997
Ar 1.50857 1.23031 0.42892
Ar 0.78242 -1.77676 -0.07010
Ar -2.07023 -0.97424 -0.37298
Ar 0.87228 -0.16684 -0.16996
125
Energy =     1 kcal/mol
Ar -1.25626 -0.08387 -0.19467
Ar 1.86938 0.40598 -1.18431
Ar -0.69412 0.09053 -0.67921
Ar -0.44070 -0.91641 -0.40708
Ar 0.62545 0.98169 -0.94312
Ar -1.35934 -0.84623 0.44359
Ar -1.02799 0.05056 2.02270
Ar -1.04487 -1.54831 -0.73072
Ar -0.16549 0.74809 0.50700
Ar 0.78302 1.08991 0.07718
Ar 1.57133 0.78171 0.34057
Ar -0.33385 -0.97111 -1.28503
Ar -0.33109 -1.80364 -0.03374
Ar 1.32453 0.29527 0.95838
Ar -0.83103 -1.05121 -0.35430
Ar 0.55855 -1.25793 -0.65908
Ar -1.15048 -0.05966 1.57168
Ar 1.23870 -1.54318 0.00566
Ar -0.25933 -0.81727 -0.63746
Ar -1.25268 -0.31171 -1.01414
Ar -1.03007 1.12928 -0.66502
Ar -1.73957 -1.34116 -0.44165
Ar 0.37796 -1.44708 -1.62871
Ar 0.95027 0.87108 -0.05897
Ar -0.12934 0.02839 2.13296
Ar 1.29154 0.37114 -0.51741
Ar 0.21388 2.01352 0.20471
Ar -0.45866 -0.62711 0.62546
Ar -1.80333 0.30209 -0.55268
Ar 0.29766 0.59851 0.70334
Ar -0.72722 1.57384 0.04682
Ar 0.46793 1.54793 -0.60940
Ar -0.42903 -1.31219 -1.50805
Ar 0.71654 0.08010 -0.96053
Ar 0.93777 -0.35284 -1.88426
Ar 0.25320 0.83196 1.24332
Ar -0.49359 -0.37939 -0.91076
Ar -0.29941 -0.13398 1.34341
Ar -1.57394 -0.81258 0.93972
Ar -0.52143 1.70226 0.82522
Ar 1.63741 -1.52579 -0.59219
Ar -0.21070 0.43839 -1.18827
Ar -0.69324 0.28029 -1.93474
Ar -0.51170 1.69579 -1.31632
Ar 0.33488 -1.53562 0.80243
Ar -1.09395 -0.62703 -0.53949
Ar 2.29704 0.23027 0.36657
Ar -0.71893 1.01593 -0.25135
Ar 1.35743 1.00140 -0.26835
Ar -1.40150 -0.88464 1.55372
Ar 0.37081 -0.96483 -1.12152
Ar 1.88171 -0.43192 0.75703
Ar -0.98721 1.34617 -1.00699
Ar 0.83060 0.96249 -1.34976
Ar 0.42140 -2.11870 0.18790
Ar -0.43870 0.35404 1.86059
Ar 1.37170 -0.16736 -1.82875
Ar 0.78726 -1.14446 -0.36114
Ar -0.92125 0.12468 -1.03107
Ar -0.31673 0.30696 0.74810
Ar -1.70144 0.78061 -0.32540
Ar -1.51794 -0.09317 -0.68781
Ar -0.12607 -1.52429 -0.06849
Ar 1.44511 0.87222 1.13008
Ar -0.79048 -1.01554 1.63360
Ar 0.25287 -0.55411 -0.25513
Ar 0.34354 0.20970 1.38643
Ar -1.27957 -1.40441 -0.44347
Ar -1.10663 -1.31070 1.51341
Ar -0.67683 -0.34999 0.40660
Ar -0.44951 1.39879 0.53800
Ar -1.22538 0.03390 0.60577
Ar 0.37710 1.22211 -1.80558
Ar 0.07565 -1.36432 0.59526
Ar -0.44889 0.93388 -1.23752
Ar 0.62090 0.48219 -0.07420
Ar -1.60723 0.81736 0.99311
Ar 0.31427 -0.93848 0.11128
Ar 1.22893 -0.48222 -0.62390
Ar 0.93622 -0.77380 -0.49184
Ar 1.14146 0.25738 -1.26582
Ar 0.08123 1.06005 1.70258
Ar 1.17806 -1.45549 1.31379
Ar -0.25909 -0.42502 -0.10059
Ar 0.32335 0.34089 0.88660
Ar -0.18207 1.49167 -0.20368
Ar -0.39651 -0.54604 1.96220
Ar -1.04399 1.07990 -0.15597
Ar -0.52895 -0.41337 1.65502
Ar 0.18112 -1.45630 -0.88797
Ar -0.92411 -1.85972 -0.23854
Ar 1.80931 1.43797 0.11706
Ar -0.59802 0.33758 -0.07708
Ar -0.96811 -0.51834 0.30332
Ar -1.89485 -1.30886 0.02975
Ar -0.47431 0.16406 -1.39003
Ar 0.35303 1.45161 -1.27165
Ar -0.03411 0.72569 0.90831
Ar -1.63602 -0.45064 -0.57074
Ar 0.31961 0.43116 -0.98908
Ar -0.58377 -1.82205 0.87314
Ar -1.00625 0.40616 0.55016
Ar -0.04313 -0.05143 1.58437
Ar 1.18176 0.99204 -1.05179
Ar -0.68649 -1.64237 -0.10007
Ar 1.18807 1.49588 -1.24537
Ar 0.03083 -0.42650 -0.64183
Ar 0.62045 -0.69793 2.08323
Ar 1.41363 -1.27552 0.38588
Ar 0.51109 -0.88002 -1.66389
Ar 1.23677 1.27460 -0.90837
Ar 0.06971 -0.65822 0.38976
Ar -0.12116 -0.42110 0.49324
Ar 0.39401 -1.87689 -1.33574
Ar 0.92817 0.20450 1.40198
Ar -0.19672 -0.58843 -2.09633
Ar 1.17523 -1.10823 -1.21897
Ar -0.32669 1.24017 -0.73739
Ar 0.32100 1.55806 0.37822
Ar -0.09720 0.00665 -0.81600
Ar -0.20013 -0.84856 -1.69514
Ar 1.52665 1.26356 0.45133
Ar 0.70382 -1.84402 -0.11154
Ar -2.08561 -0.88823 -0.23396
Ar 0.83299 -0.10881 -0.22729
125
Energy =     1 kcal/mol
Ar -1.13715 0.05658 -0.19238
Ar 1.87075 0.40371 -1.20546
Ar -0.79428 0.12982 -0.73724
Ar -0.48666 -0.90211 -0.37413
Ar 0.55129 1.03715 -0.86712
Ar -1.35157 -0.93208 0.50048
Ar -1.01105 0.00483 1.98282
Ar -1.05587 -1.62472 -0.69708
Ar -0.13884 0.77853 0.51421
Ar 0.70731 1.15621 0.10912
Ar 1.56078 0.73760 0.27861
Ar -0.40498 -1.12605 -1.26173
Ar -0.36962 -1.83729 0.02657
Ar 1.34055 0.41133 0.89211
Ar -0.93887 -0.95019 -0.26968
Ar 0.60792 -1.28697 -0.73107
Ar -1.00247 -0.03141 1.58968
Ar 1.26574 -1.60097 0.11334
Ar -0.28759 -0.79090 -0.86495
Ar -1.18261 -0.32451 -1.06870
Ar -0.96010 1.23543 -0.65173
Ar -1.78457 -1.39011 -0.54273
Ar 0.41680 -1.63106 -1.49456
Ar 0.98513 0.83071 -0.10729
Ar -0.07037 -0.01126 1.93794
Ar 1.34650 0.25500 -0.50559
Ar 0.29960 1.94365 0.26750
Ar -0.39102 -0.59591 0.68514
Ar -1.80619 0.28376 -0.49320
Ar 0.35127 0.67731 0.63268
Ar -0.81593 1.55611 0.06278
Ar 0.36575 1.56504 -0.66641
Ar -0.38004 -1.35447 -1.56132
Ar 0.70297 0.08285 -0.93339
Ar 1.01483 -0.41848 -1.70578
Ar 0.22519 0.73146 1.21675
Ar -0.50151 -0.32129 -0.84985
Ar -0.25866 -0.21939 1.39378
Ar -1.56688 -0.83827 0.98376
Ar -0.53500 1.75588 0.83972
Ar 1.58266 -1.50653 -0.59660
Ar -0.13905 0.47513 -1.06842
Ar -0.57088 0.44085 -2.05098
Ar -0.53788 1.68387 -1.27640
Ar 0.40461 -1.64754 0.69867
Ar -1.04215 -0.69343 -0.41605
Ar 2.19957 0.19793 0.42504
Ar -0.65731 1.02968 -0.22573
Ar 1.40375 0.91492 -0.29560
Ar -1.45100 -0.87187 1.49204
Ar 0.30069 -1.12454 -1.10194
Ar 1.92367 -0.45400 0.77130
Ar -1.00191 1.35987 -1.09504
Ar 0.89007 0.92555 -1.17873
Ar 0.46138 -2.18223 0.17419
Ar -0.39368 0.39177 1.82304
Ar 1.33321 -0.09435 -1.88091
Ar 0.72729 -1.19358 -0.41793
Ar -0.97088 0.06261 -0.99501
Ar -0.25150 0.31595 0.89014
Ar -1.84089 0.72061 -0.37153
Ar -1.61092 -0.00955 -0.64754
Ar -0.09584 -1.48175 -0.06801
Ar 1.46968 0.91187 1.05461
Ar -0.93178 -0.99252 1.68585
Ar 0.13023 -0.52552 -0.30928
Ar 0.39795 0.28982 1.30659
Ar -1.21762 -1.43575 -0.48450
Ar -1.15450 -1.20104 1.36592
Ar -0.64856 -0.40276 0.33980
Ar -0.50929 1.49578 0.57052
Ar -1.29022 -0.03662 0.69007
Ar 0.49296 1.37339 -1.83341
Ar 0.02115 -1.44745 0.64382
Ar -0.45739 1.00422 -1.25416
Ar 0.70003 0.49711 -0.09966
Ar -1.62931 0.81641 1.12010
Ar 0.24589 -0.91630 0.07222
Ar 1.20141 -0.58290 -0.58849
Ar 0.96654 -0.73461 -0.34655
Ar 1.10647 0.19661 -1.22425
Ar 0.10848 0.96868 1.64476
Ar 1.26892 -1.36905 1.36487
Ar -0.24262 -0.41608 -0.11901
Ar 0.30833 0.33734 0.88554
Ar -0.26309 1.49917 -0.26535
Ar -0.37451 -0.59058 2.00201
Ar -1.09266 0.98501 -0.12799
Ar -0.53455 -0.38666 1.70324
Ar 0.18372 -1.45622 -0.97979
Ar -0.89107 -1.80148 -0.32830
Ar 1.79345 1.39754 0.20059
Ar -0.56029 0.17348 -0.05416
Ar -0.96125 -0.63131 0.42151
Ar -1.87579 -1.32000 0.12027
Ar -0.46569 0.14595 -1.32236
Ar 0.36935 1.41456 -1.32418
Ar -0.00416 0.77864 1.00864
Ar -1.67507 -0.45143 -0.57488
Ar 0.38733 0.46590 -1.04355
Ar -0.53074 -1.90071 0.82564
Ar -0.92401 0.47131 0.55270
Ar 0.06805 -0.08714 1.52603
Ar 1.16721 0.92863 -1.02855
Ar -0.66730 -1.61337 -0.10205
Ar 1.02922 1.38409 -1.29115
Ar -0.03440 -0.51184 -0.77134
Ar 0.64717 -0.75112 1.97149
Ar 1.41265 -1.30139 0.30985
Ar 0.52955 -0.88707 -1.71991
Ar 1.20424 1.39690 -0.96537
Ar 0.14323 -0.75271 0.33133
Ar -0.17439 -0.35373 0.49821
Ar 0.20430 -1.81377 -1.27849
Ar 0.78144 0.42601 1.47545
Ar -0.19486 -0.66425 -2.07246
Ar 1.24184 -1.13549 -1.15085
Ar -0.32930 1.27001 -0.71717
Ar 0.29948 1.58014 0.24484
Ar -0.13025 -0.10724 -0.88457
Ar -0.15360 -0.74328 -1.78402
Ar 1.54801 1.29447 0.46908
Ar 0.62379 -1.91248 -0.15056
Ar -2.08009 -0.79646 -0.09110
Ar 0.79364 -0.05060 -0.28529
125
Energy =     1 kcal/mol
Ar -1.01706 0.19686 -0.19118
Ar 1.87176 0.40143 -1.22652
Ar -0.84382 0.18436 -0.72307
Ar -0.53809 -0.88714 -0.33992
Ar 0.48071 1.09238 -0.79536
Ar -1.34182 -1.01526 0.55876
Ar -0.99405 -0.04177 1.94091
Ar -1.03100 -1.74180 -0.71026
Ar -0.10839 0.80735 0.52667
Ar 0.62986 1.22417 0.14194
Ar 1.54954 0.69543 0.21630
Ar -0.47454 -1.27995 -1.23819
Ar -0.40979 -1.86441 0.08407
Ar 1.35706 0.52980 0.82640
Ar -0.99496 -0.98583 -0.10405
Ar 0.64398 -1.32279 -0.83028
Ar -0.85222 -0.00349 1.60956
Ar 1.29132 -1.66211 0.22084
Ar -0.32004 -0.76576 -1.09652
Ar -1.11085 -0.33518 -1.12167
Ar -0.88857 1.34209 -0.64085
Ar -1.71557 -1.35170 -0.60813
Ar 0.46088 -1.80891 -1.36387
Ar 1.02240 0.78552 -0.15838
Ar -0.01377 -0.05095 1.73778
Ar 1.40056 0.13919 -0.49370
Ar 0.38683 1.88591 0.33398
Ar -0.32676 -0.56386 0.74161
Ar -1.81950 0.28783 -0.41984
Ar 0.39876 0.76198 0.56127
Ar -0.90333 1.53676 0.07871
Ar 0.26366 1.58059 -0.72418
Ar -0.33045 -1.39541 -1.61334
Ar 0.69014 0.08876 -0.90812
Ar 1.09426 -0.48174 -1.52834
Ar 0.27216 0.61647 1.26143
Ar -0.50327 -0.26201 -0.78862
Ar -0.22521 -0.30740 1.44662
Ar -1.55740 -0.86492 1.02915
Ar -0.54840 1.81439 0.85962
Ar 1.52502 -1.48469 -0.60007
Ar -0.06710 0.50962 -0.94953
Ar -0.44844 0.60132 -2.16689
Ar -0.56489 1.67041 -1.23572
Ar 0.46969 -1.75718 0.59382
Ar -1.03658 -0.62351 -0.37527
Ar 2.06926 0.16236 0.47804
Ar -0.59971 1.04530 -0.20092
Ar 1.44522 0.82696 -0.32003
Ar -1.49594 -0.86307 1.42618
Ar 0.26267 -1.19100 -1.10675
Ar 1.96565 -0.47590 0.78548
Ar -1.01450 1.37230 -1.17833
Ar 0.84309 0.89338 -1.05695
Ar 0.50327 -2.24183 0.15637
Ar -0.34700 0.42685 1.78554
Ar 1.23449 -0.01879 -1.85202
Ar 0.67740 -1.23281 -0.45101
Ar -1.07015 -0.01902 -1.03138
Ar -0.18241 0.32798 1.03225
Ar -1.97945 0.65507 -0.41906
Ar -1.69319 0.05084 -0.61876
Ar -0.06927 -1.44222 -0.06641
Ar 1.49365 0.94943 0.97782
Ar -1.07741 -0.97149 1.73335
Ar 0.00395 -0.49786 -0.36548
Ar 0.45584 0.36974 1.22358
Ar -1.19072 -1.42804 -0.47690
Ar -1.20339 -1.08406 1.22358
Ar -0.61048 -0.45517 0.27797
Ar -0.56961 1.58768 0.59623
Ar -1.35406 -0.10666 0.77392
Ar 0.55822 1.38651 -1.67475
Ar -0.02904 -1.53290 0.69242
Ar -0.46580 1.07506 -1.26940
Ar 0.78316 0.51546 -0.12564
Ar -1.65131 0.81540 1.24704
Ar 0.20106 -0.93630 -0.04331
Ar 1.17515 -0.68278 -0.55528
Ar 0.99335 -0.69893 -0.19929
Ar 1.06884 0.13543 -1.18066
Ar 0.13665 0.87478 1.58303
Ar 1.31800 -1.23651 1.37074
Ar -0.22500 -0.40853 -0.13698
Ar 0.29145 0.33236 0.89562
Ar -0.34551 1.50424 -0.32960
Ar -0.35367 -0.63248 2.03903
Ar -1.13689 0.89147 -0.10194
Ar -0.53567 -0.35782 1.74936
Ar 0.16143 -1.54748 -1.04361
Ar -0.86729 -1.74709 -0.42482
Ar 1.77927 1.34798 0.26254
Ar -0.52354 0.00827 -0.03151
Ar -0.95977 -0.74803 0.53883
Ar -1.78988 -1.28331 0.20681
Ar -0.45585 0.12864 -1.25108
Ar 0.38773 1.37640 -1.37826
Ar -0.04958 0.84213 1.03297
Ar -1.71241 -0.44654 -0.57985
Ar 0.45518 0.49921 -1.09714
Ar -0.47741 -1.97907 0.77783
Ar -0.84198 0.53539 0.55521
Ar 0.18317 -0.11940 1.47279
Ar 1.25510 0.86793 -0.95428
Ar -0.63517 -1.57876 -0.09646
Ar 0.86692 1.26860 -1.33973
Ar -0.09926 -0.58807 -0.89550
Ar 0.67381 -0.80425 1.85969
Ar 1.41272 -1.32389 0.23353
Ar 0.54762 -0.89409 -1.77532
Ar 1.17255 1.51556 -1.01734
Ar 0.19014 -0.80238 0.34774
Ar -0.22951 -0.28686 0.49938
Ar 0.00361 -1.74706 -1.21068
Ar 0.62891 0.64585 1.54565
Ar -0.21352 -0.69291 -2.20401
Ar 1.30816 -1.16273 -1.08219
Ar -0.33298 1.30086 -0.69438
Ar 0.27693 1.58879 0.10729
Ar -0.16716 -0.22836 -0.95195
Ar -0.08641 -0.68600 -1.71540
Ar 1.55053 1.31896 0.50674
Ar 0.54181 -1.98389 -0.18531
Ar -2.07372 -0.70576 0.05190
Ar 0.75453 0.00868 -0.34386
125
Energy =     1 kcal/mol
Ar -0.89510 0.33675 -0.19135
Ar 1.87243 0.39917 -1.24747
Ar -0.89085 0.23705 -0.70543
Ar -0.59225 -0.87064 -0.30437
Ar 0.41244 1.14783 -0.72674
Ar -1.32906 -1.09499 0.61881
Ar -0.97844 -0.08982 1.90613
Ar -1.03489 -1.85972 -0.77479
Ar -0.07432 0.83555 0.54309
Ar 0.55031 1.29350 0.17435
Ar 1.53731 0.65440 0.15266
Ar -0.54035 -1.43420 -1.21858
Ar -0.45242 -1.88533 0.13837
Ar 1.37527 0.65316 0.76169
Ar -1.03966 -1.04974 0.07788
Ar 0.67441 -1.35866 -0.93371
Ar -0.69585 0.02218 1.62294
Ar 1.31212 -1.73493 0.32592
Ar -0.36958 -0.75471 -1.34258
Ar -1.04178 -0.40298 -1.19108
Ar -0.81394 1.44834 -0.63078
Ar -1.61881 -1.29372 -0.66460
Ar 0.48121 -1.90609 -1.17492
Ar 1.08291 0.76057 -0.21462
Ar 0.00429 -0.08149 1.57364
Ar 1.45369 0.02384 -0.48181
Ar 0.47444 1.83389 0.40132
Ar -0.26422 -0.53120 0.79574
Ar -1.86145 0.34442 -0.30863
Ar 0.44225 0.84547 0.49166
Ar -0.98949 1.51642 0.09454
Ar 0.16181 1.59339 -0.78239
Ar -0.28198 -1.43505 -1.65948
Ar 0.68019 0.09773 -0.88521
Ar 1.17395 -0.54364 -1.35149
Ar 0.25486 0.58474 1.31756
Ar -0.50326 -0.20328 -0.72878
Ar -0.18983 -0.39101 1.50759
Ar -1.55471 -0.89206 1.05462
Ar -0.56028 1.89158 0.90103
Ar 1.46675 -1.46211 -0.60423
Ar 0.00627 0.54337 -0.83162
Ar -0.30605 0.72760 -2.17011
Ar -0.59346 1.65408 -1.19426
Ar 0.53269 -1.86639 0.48841
Ar -1.03821 -0.52610 -0.35190
Ar 1.93867 0.12667 0.53116
Ar -0.54341 1.06390 -0.17761
Ar 1.48092 0.73772 -0.34115
Ar -1.53288 -0.85670 1.37568
Ar 0.25488 -1.17177 -1.13204
Ar 2.00764 -0.49748 0.79950
Ar -1.02384 1.38533 -1.25965
Ar 0.77546 0.86551 -0.94377
Ar 0.53037 -2.22987 0.12926
Ar -0.29927 0.46024 1.74714
Ar 1.13504 0.05558 -1.82175
Ar 0.62851 -1.27080 -0.48284
Ar -1.16674 -0.04333 -1.05248
Ar -0.10695 0.34313 1.17426
Ar -2.11645 0.58523 -0.46708
Ar -1.74758 0.05869 -0.62708
Ar -0.04445 -1.40281 -0.06425
Ar 1.51614 0.98325 0.89793
Ar -1.21133 -0.93874 1.75533
Ar -0.09002 -0.48550 -0.46119
Ar 0.59088 0.35807 1.12991
Ar -1.16188 -1.42298 -0.46750
Ar -1.24935 -0.96426 1.08636
Ar -0.56813 -0.50650 0.21844
Ar -0.63183 1.66058 0.59935
Ar -1.41763 -0.17698 0.85771
Ar 0.67777 1.39139 -1.58203
Ar -0.07783 -1.61980 0.74033
Ar -0.47482 1.14759 -1.28336
Ar 0.84881 0.51289 -0.14897
Ar -1.67293 0.81419 1.37368
Ar 0.15928 -0.96496 -0.17562
Ar 1.14754 -0.78255 -0.51932
Ar 1.02070 -0.66416 -0.05531
Ar 1.02695 0.07393 -1.13414
Ar 0.16056 0.78686 1.52711
Ar 1.36594 -1.10277 1.37544
Ar -0.24423 -0.38619 -0.11536
Ar 0.26745 0.33242 0.90616
Ar -0.43033 1.50625 -0.39537
Ar -0.33540 -0.66978 2.07108
Ar -1.17876 0.79832 -0.07645
Ar -0.53197 -0.32786 1.79423
Ar 0.18598 -1.64050 -1.01325
Ar -0.81412 -1.68506 -0.46605
Ar 1.81053 1.30678 0.27536
Ar -0.48671 -0.16101 -0.00869
Ar -0.96025 -0.86595 0.65491
Ar -1.70331 -1.24559 0.29357
Ar -0.44530 0.10960 -1.17650
Ar 0.33885 1.32994 -1.34217
Ar -0.09751 0.90198 1.05167
Ar -1.74912 -0.43761 -0.58495
Ar 0.52429 0.53198 -1.14835
Ar -0.42342 -2.05667 0.72943
Ar -0.75969 0.59935 0.55748
Ar 0.32793 -0.16340 1.37904
Ar 1.35888 0.80810 -0.87183
Ar -0.60213 -1.54990 -0.09315
Ar 0.70914 1.13805 -1.36876
Ar -0.14518 -0.66578 -1.00083
Ar 0.70041 -0.85732 1.74780
Ar 1.41727 -1.33461 0.15932
Ar 0.56522 -0.90087 -1.83031
Ar 1.13834 1.63130 -1.07176
Ar 0.23149 -0.84296 0.37955
Ar -0.28791 -0.22219 0.49724
Ar -0.26742 -1.76526 -1.21677
Ar 0.46997 0.86295 1.60962
Ar -0.21568 -0.66684 -2.16718
Ar 1.37430 -1.19030 -1.01227
Ar -0.33817 1.33243 -0.67001
Ar 0.25610 1.58873 -0.03111
Ar -0.20973 -0.33183 -1.02150
Ar -0.01898 -0.63059 -1.64236
Ar 1.50712 1.33288 0.59436
Ar 0.45915 -2.05890 -0.21453
Ar -2.06683 -0.61556 0.19488
Ar 0.71592 0.06995 -0.40358
125
Energy =     1 kcal/mol
Ar -0.77365 0.47718 -0.19349
Ar 1.87277 0.39699 -1.26823
Ar -0.93815 0.28725 -0.68759
Ar -0.64720 -0.85205 -0.26745
Ar 0.34486 1.20391 -0.66096
Ar -1.31290 -1.16939 0.68208
Ar -0.95667 -0.13804 1.86783
Ar -1.01672 -1.92713 -0.82348
Ar -0.03750 0.86376 0.56269
Ar 0.46720 1.36545 0.20608
Ar 1.52342 0.61450 0.08558
Ar -0.63700 -1.52906 -1.19762
Ar -0.49687 -1.90071 0.18982
Ar 1.38808 0.76642 0.69109
Ar -1.08392 -1.11304 0.26032
Ar 0.70001 -1.39350 -1.03375
Ar -0.53848 0.04175 1.64159
Ar 1.33376 -1.80363 0.42918
Ar -0.41401 -0.74151 -1.58709
Ar -0.97238 -0.48222 -1.26353
Ar -0.74275 1.55394 -0.62896
Ar -1.51906 -1.23649 -0.71974
Ar 0.48828 -1.95927 -0.95592
Ar 1.17666 0.76439 -0.27878
Ar 0.00946 -0.10599 1.42075
Ar 1.50616 -0.09102 -0.46996
Ar 0.56104 1.77893 0.46592
Ar -0.20220 -0.49413 0.84503
Ar -1.90435 0.40018 -0.20112
Ar 0.48290 0.93000 0.42184
Ar -1.07461 1.49564 0.11036
Ar 0.05989 1.60217 -0.84025
Ar -0.23486 -1.47509 -1.70082
Ar 0.67508 0.10854 -0.86277
Ar 1.25342 -0.60507 -1.17441
Ar 0.27791 0.46632 1.27167
Ar -0.49882 -0.14592 -0.67318
Ar -0.15828 -0.47332 1.57250
Ar -1.65106 -0.90544 0.98035
Ar -0.57232 1.96971 0.94338
Ar 1.40755 -1.43701 -0.61138
Ar 0.08068 0.57711 -0.71440
Ar -0.13989 0.80831 -2.02855
Ar -0.62390 1.63272 -1.15232
Ar 0.59525 -1.97748 0.38062
Ar -1.03788 -0.42995 -0.32795
Ar 1.80785 0.09083 0.58438
Ar -0.48700 1.08626 -0.15686
Ar 1.51085 0.64801 -0.35923
Ar -1.55626 -0.84414 1.41035
Ar 0.24864 -1.15764 -1.15486
Ar 2.04954 -0.51863 0.81332
Ar -1.02905 1.39957 -1.33981
Ar 0.70402 0.83757 -0.83397
Ar 0.54501 -2.16079 0.09847
Ar -0.25008 0.49244 1.70625
Ar 1.03549 0.12975 -1.79076
Ar 0.57950 -1.30931 -0.51979
Ar -1.26107 -0.05450 -1.06754
Ar -0.02718 0.35946 1.31668
Ar -2.22458 0.50732 -0.50783
Ar -1.80245 0.06499 -0.63276
Ar -0.01987 -1.36071 -0.06293
Ar 1.54429 1.03076 0.81976
Ar -1.26463 -0.84003 1.65179
Ar -0.17841 -0.47669 -0.56860
Ar 0.72961 0.33794 1.03580
Ar -1.12905 -1.42267 -0.45990
Ar -1.20557 -0.86624 0.95990
Ar -0.52137 -0.56549 0.16276
Ar -0.69425 1.73217 0.60073
Ar -1.48108 -0.24792 0.94159
Ar 0.81074 1.45131 -1.58067
Ar -0.12752 -1.70842 0.78755
Ar -0.48528 1.22355 -1.29579
Ar 0.88718 0.47906 -0.16730
Ar -1.60991 0.77193 1.42926
Ar 0.11579 -0.99565 -0.30588
Ar 1.11868 -0.88227 -0.48006
Ar 1.04908 -0.63031 0.08475
Ar 0.97960 0.01288 -1.08394
Ar 0.08823 0.77704 1.55507
Ar 1.41374 -0.96897 1.38019
Ar -0.19878 -0.41775 -0.11722
Ar 0.24030 0.33593 0.92421
Ar -0.52316 1.52960 -0.41396
Ar -0.31888 -0.70332 2.09962
Ar -1.21886 0.70392 -0.05145
Ar -0.52623 -0.29484 1.83562
Ar 0.22011 -1.72531 -0.98069
Ar -0.75981 -1.61719 -0.49616
Ar 1.83915 1.26539 0.29070
Ar -0.52490 -0.26521 0.04607
Ar -0.96672 -0.98787 0.77024
Ar -1.61394 -1.20653 0.38236
Ar -0.43419 0.08687 -1.09852
Ar 0.26123 1.27674 -1.26533
Ar -0.14245 0.95750 1.07024
Ar -1.78542 -0.42484 -0.59024
Ar 0.59632 0.56719 -1.19551
Ar -0.36825 -2.13230 0.68004
Ar -0.67700 0.66338 0.55945
Ar 0.48247 -0.21014 1.27289
Ar 1.46106 0.74783 -0.78708
Ar -0.56885 -1.52674 -0.09167
Ar 0.56715 0.95634 -1.34101
Ar -0.18380 -0.78745 -1.10423
Ar 0.72703 -0.91031 1.63577
Ar 1.42058 -1.34934 0.08653
Ar 0.58223 -0.90742 -1.88487
Ar 1.09207 1.72880 -1.11532
Ar 0.27204 -0.88387 0.40923
Ar -0.34911 -0.16437 0.49426
Ar -0.51012 -1.84680 -1.23286
Ar 0.35694 1.09284 1.68368
Ar -0.20813 -0.61217 -2.03631
Ar 1.44032 -1.21958 -0.93873
Ar -0.33097 1.34025 -0.68452
Ar 0.23924 1.58670 -0.16560
Ar -0.26602 -0.38867 -1.09162
Ar 0.04464 -0.57685 -1.56773
Ar 1.46594 1.34259 0.68230
Ar 0.37657 -2.13516 -0.24115
Ar -2.05961 -0.52562 0.33784
Ar 0.67811 0.13379 -0.46673
125
Energy =     1 kcal/mol
Ar -0.65445 0.61853 -0.19654
Ar 1.86917 0.39417 -1.28621
Ar -0.98457 0.33638 -0.66882
Ar -0.70138 -0.83051 -0.22807
Ar 0.27637 1.26097 -0.59724
Ar -1.29386 -1.23535 0.74563
Ar -0.92667 -0.18709 1.82732
Ar -0.91625 -1.84141 -0.80660
Ar 0.00070 0.89225 0.58458
Ar 0.38308 1.43824 0.23855
Ar 1.50708 0.57609 0.01120
Ar -0.80177 -1.49441 -1.16651
Ar -0.54142 -1.91258 0.23998
Ar 1.37320 0.83221 0.59616
Ar -1.13133 -1.17632 0.44872
Ar 0.72143 -1.42811 -1.13156
Ar -0.38059 0.05788 1.66350
Ar 1.32351 -1.82716 0.51982
Ar -0.45759 -0.72936 -1.82712
Ar -0.90317 -0.55940 -1.33489
Ar -0.76006 1.66643 -0.71988
Ar -1.41639 -1.18053 -0.77303
Ar 0.50486 -2.01941 -0.73478
Ar 1.25865 0.76949 -0.33901
Ar 0.01489 -0.12999 1.26757
Ar 1.55820 -0.20547 -0.45819
Ar 0.64662 1.72070 0.52821
Ar -0.14096 -0.45433 0.89200
Ar -1.95071 0.45601 -0.09953
Ar 0.52116 1.01795 0.35088
Ar -1.15893 1.47478 0.12621
Ar -0.04359 1.60535 -0.89658
Ar -0.18820 -1.51381 -1.73893
Ar 0.67176 0.11985 -0.84626
Ar 1.33270 -0.66654 -0.99678
Ar 0.36650 0.36760 1.23410
Ar -0.49023 -0.09110 -0.62169
Ar -0.12880 -0.54987 1.63876
Ar -1.74807 -0.91830 0.90392
Ar -0.58222 2.03059 0.97404
Ar 1.34531 -1.41303 -0.61493
Ar 0.15632 0.61132 -0.59765
Ar 0.02632 0.88905 -1.88673
Ar -0.65522 1.60396 -1.10976
Ar 0.67709 -2.04857 0.35119
Ar -1.03544 -0.33450 -0.30365
Ar 1.67695 0.05493 0.63759
Ar -0.43097 1.11175 -0.13883
Ar 1.55085 0.55311 -0.37763
Ar -1.59868 -0.83593 1.43101
Ar 0.24331 -1.14499 -1.17643
Ar 2.08994 -0.53908 0.82650
Ar -1.02975 1.41495 -1.41827
Ar 0.62899 0.80804 -0.72896
Ar 0.54046 -2.13169 -0.01055
Ar -0.19948 0.52344 1.66205
Ar 0.93582 0.20391 -1.75922
Ar 0.53004 -1.34770 -0.55926
Ar -1.35365 -0.06708 -1.08218
Ar -0.00014 0.35639 1.46920
Ar -2.14140 0.38416 -0.50222
Ar -1.85802 0.06946 -0.63628
Ar 0.00479 -1.31467 -0.06455
Ar 1.61714 1.08416 0.77766
Ar -1.29227 -0.73276 1.55087
Ar -0.27125 -0.46436 -0.67402
Ar 0.86158 0.31817 0.94220
Ar -1.09185 -1.42489 -0.45476
Ar -1.20135 -0.74880 0.85960
Ar -0.47266 -0.69800 0.13445
Ar -0.75516 1.80700 0.60672
Ar -1.54435 -0.32026 1.02557
Ar 0.91576 1.46467 -1.52842
Ar -0.17901 -1.80021 0.83343
Ar -0.49845 1.30525 -1.30539
Ar 0.92788 0.44606 -0.18929
Ar -1.49978 0.70690 1.44468
Ar 0.07087 -1.03022 -0.43361
Ar 1.09005 -0.98295 -0.44063
Ar 1.07759 -0.59698 0.22369
Ar 0.93052 -0.04787 -1.03250
Ar 0.00536 0.76455 1.58201
Ar 1.46127 -0.83512 1.38497
Ar -0.11287 -0.48279 -0.14245
Ar 0.20693 0.33460 0.92503
Ar -0.52710 1.54784 -0.33130
Ar -0.30317 -0.73410 2.12548
Ar -1.25663 0.60827 -0.02726
Ar -0.52124 -0.25968 1.87388
Ar 0.24590 -1.79960 -0.95018
Ar -0.71085 -1.54686 -0.52315
Ar 1.86542 1.22362 0.30843
Ar -0.60488 -0.26369 0.09257
Ar -0.93912 -1.13760 0.85375
Ar -1.51829 -1.16594 0.47494
Ar -0.42290 0.05883 -1.01621
Ar 0.18805 1.22013 -1.18752
Ar -0.18548 1.01049 1.08813
Ar -1.82151 -0.40791 -0.59587
Ar 0.68121 0.58754 -1.23101
Ar -0.31153 -2.20212 0.62928
Ar -0.59363 0.72757 0.56116
Ar 0.63305 -0.25482 1.16759
Ar 1.56261 0.68649 -0.69687
Ar -0.53625 -1.50743 -0.09263
Ar 0.41063 0.79572 -1.31674
Ar -0.22227 -0.90701 -1.21033
Ar 0.75382 -0.96316 1.52356
Ar 1.42334 -1.36542 0.01419
Ar 0.59876 -0.91378 -1.93904
Ar 0.97269 1.71140 -1.08608
Ar 0.31208 -0.92477 0.43834
Ar -0.41141 -0.11147 0.48851
Ar -0.63821 -1.90546 -1.16136
Ar 0.24967 1.32358 1.75888
Ar -0.19518 -0.55469 -1.90421
Ar 1.50792 -1.24610 -0.86787
Ar -0.31990 1.34493 -0.71064
Ar 0.22423 1.58187 -0.29824
Ar -0.32379 -0.44447 -1.15927
Ar 0.10228 -0.52534 -1.49254
Ar 1.40986 1.39340 0.75494
Ar 0.29393 -2.21077 -0.26835
Ar -2.05208 -0.43584 0.48093
Ar 0.64144 0.20166 -0.52436
125
Energy =     1 kcal/mol
Ar -0.53542 0.76194 -0.19952
Ar 1.85161 0.38857 -1.29443
Ar -1.03020 0.38482 -0.64948
Ar -0.75229 -0.80628 -0.18411
Ar 0.20650 1.30268 -0.54368
Ar -1.30502 -1.31646 0.89397
Ar -0.88941 -0.23724 1.78693
Ar -0.85214 -1.74220 -0.73135
Ar 0.03877 0.92095 0.60793
Ar 0.30212 1.50857 0.27332
Ar 1.48580 0.54134 -0.06430
Ar -0.96430 -1.46728 -1.13189
Ar -0.58466 -1.92324 0.29027
Ar 1.35798 0.89657 0.49994
Ar -1.11910 -1.22565 0.57108
Ar 0.74024 -1.46223 -1.22789
Ar -0.22090 0.07381 1.68663
Ar 1.24500 -1.75725 0.58448
Ar -0.54461 -0.74628 -2.04809
Ar -0.83245 -0.63619 -1.40585
Ar -0.77913 1.77954 -0.81315
Ar -1.31130 -1.12613 -0.82448
Ar 0.52013 -2.07976 -0.51235
Ar 1.33354 0.77383 -0.39590
Ar 0.01980 -0.15205 1.11472
Ar 1.60986 -0.31978 -0.44663
Ar 0.73001 1.65954 0.58790
Ar -0.07951 -0.41230 0.93980
Ar -1.99903 0.51075 -0.00333
Ar 0.55653 1.11091 0.27913
Ar -1.24271 1.45393 0.14211
Ar -0.14983 1.60187 -0.95058
Ar -0.13547 -1.50052 -1.71720
Ar 0.66048 0.12859 -0.87496
Ar 1.41193 -0.72886 -0.81827
Ar 0.47251 0.27724 1.23360
Ar -0.47816 -0.04013 -0.57611
Ar -0.10145 -0.62367 1.70662
Ar -1.83999 -0.93125 0.82737
Ar -0.56070 1.97104 0.94353
Ar 1.26800 -1.40179 -0.59352
Ar 0.23567 0.64670 -0.48203
Ar 0.19284 0.96970 -1.74400
Ar -0.68645 1.57032 -1.06805
Ar 0.76928 -2.10189 0.35965
Ar -1.03078 -0.23954 -0.27869
Ar 1.54597 0.01903 0.69077
Ar -0.37656 1.13915 -0.12361
Ar 1.59720 0.43085 -0.35978
Ar -1.63798 -0.81501 1.38853
Ar 0.23707 -1.13229 -1.19762
Ar 2.06687 -0.54296 0.81464
Ar -1.02611 1.43077 -1.49411
Ar 0.55044 0.77610 -0.62523
Ar 0.53029 -2.11824 -0.15431
Ar -0.26327 0.52390 1.68635
Ar 0.83593 0.27832 -1.72691
Ar 0.47949 -1.38583 -0.59990
Ar -1.44602 -0.07975 -1.09605
Ar 0.07612 0.30771 1.57598
Ar -2.04994 0.27141 -0.47891
Ar -1.90321 0.05648 -0.64847
Ar 0.02881 -1.26580 -0.07001
Ar 1.70392 1.11295 0.74141
Ar -1.27851 -0.61456 1.46987
Ar -0.36758 -0.44643 -0.78108
Ar 0.99119 0.29812 0.84942
Ar -1.04924 -1.42868 -0.45336
Ar -1.20635 -0.63229 0.76237
Ar -0.42499 -0.83059 0.10041
Ar -0.81390 1.88426 0.61708
Ar -1.60690 -0.39535 1.10954
Ar 0.98337 1.41752 -1.40751
Ar -0.23211 -1.89638 0.87649
Ar -0.51232 1.38856 -1.31421
Ar 0.97080 0.41475 -0.21537
Ar -1.38960 0.64182 1.46008
Ar 0.02584 -1.06786 -0.55792
Ar 1.06322 -1.08646 -0.40262
Ar 1.10609 -0.56381 0.36238
Ar 0.89409 -0.11765 -0.98929
Ar -0.01796 0.81868 1.58246
Ar 1.50854 -0.70127 1.38973
Ar -0.03216 -0.54939 -0.16742
Ar 0.15925 0.32559 0.89104
Ar -0.52416 1.55988 -0.24786
Ar -0.28740 -0.76276 2.14860
Ar -1.29353 0.51237 -0.00361
Ar -0.51801 -0.22122 1.90781
Ar 0.27266 -1.87256 -0.91790
Ar -0.66833 -1.47758 -0.54853
Ar 1.88967 1.18099 0.32874
Ar -0.68126 -0.26153 0.14030
Ar -0.91117 -1.29123 0.92740
Ar -1.44836 -1.11637 0.55895
Ar -0.41209 0.02551 -0.92853
Ar 0.11543 1.16185 -1.10795
Ar -0.22719 1.06172 1.10537
Ar -1.85765 -0.38616 -0.60196
Ar 0.79214 0.57267 -1.24996
Ar -0.24573 -2.20231 0.56108
Ar -0.50903 0.79209 0.56278
Ar 0.78243 -0.29825 1.06225
Ar 1.66466 0.64606 -0.64346
Ar -0.50469 -1.48962 -0.09700
Ar 0.22633 0.67340 -1.30452
Ar -0.25897 -1.02173 -1.31685
Ar 0.78079 -1.01577 1.41119
Ar 1.42550 -1.38151 -0.05911
Ar 0.61496 -0.92005 -1.99290
Ar 0.84748 1.68328 -1.05394
Ar 0.35174 -0.96567 0.46705
Ar -0.47529 -0.06163 0.47882
Ar -0.65794 -1.73829 -1.00444
Ar 0.13834 1.52405 1.79816
Ar -0.13607 -0.46790 -1.78622
Ar 1.58806 -1.25610 -0.81986
Ar -0.30890 1.35631 -0.73630
Ar 0.20857 1.59110 -0.42265
Ar -0.38027 -0.50312 -1.22399
Ar 0.15496 -0.47531 -1.41821
Ar 1.34182 1.47032 0.81944
Ar 0.20785 -2.28545 -0.30155
Ar -2.04405 -0.34639 0.62442
Ar 0.60152 0.28643 -0.52727
125
Energy =     1 kcal/mol
Ar -0.41976 0.89610 -0.20570
Ar 1.83341 0.38299 -1.30196
Ar -1.07545 0.43261 -0.62961
Ar -0.79827 -0.78153 -0.13595
Ar 0.13510 1.23362 -0.54420
Ar -1.33298 -1.40557 1.08403
Ar -0.84799 -0.28770 1.74731
Ar -0.89131 -1.67768 -0.52604
Ar 0.07520 0.94956 0.63202
Ar 0.22497 1.57517 0.30901
Ar 1.44426 0.52615 -0.10365
Ar -1.12267 -1.44464 -1.09080
Ar -0.62552 -1.93419 0.34150
Ar 1.34690 0.96379 0.40575
Ar -1.04293 -1.27498 0.65975
Ar 0.75758 -1.49583 -1.32331
Ar -0.08161 0.07879 1.71545
Ar 1.16536 -1.68692 0.64840
Ar -0.59988 -0.72285 -2.15141
Ar -0.75768 -0.71218 -1.47536
Ar -0.80493 1.90963 -0.88229
Ar -1.20364 -1.07446 -0.87537
Ar 0.52441 -2.12302 -0.54789
Ar 1.41702 0.76694 -0.45022
Ar 0.06045 -0.07216 1.01438
Ar 1.66074 -0.43504 -0.43606
Ar 0.81220 1.59687 0.64622
Ar -0.05286 -0.46825 0.93529
Ar -2.04732 0.56415 0.09012
Ar 0.58894 1.20820 0.20779
Ar -1.32614 1.43311 0.15804
Ar -0.25340 1.60481 -1.01493
Ar -0.08121 -1.47091 -1.67697
Ar 0.63796 0.14823 -0.90426
Ar 1.49181 -0.79238 -0.63824
Ar 0.57337 0.18653 1.23139
Ar -0.46893 0.00483 -0.51476
Ar -0.07639 -0.69708 1.77786
Ar -1.92786 -0.94421 0.75029
Ar -0.53981 1.89800 0.90197
Ar 1.19345 -1.38972 -0.57199
Ar 0.26317 0.65860 -0.33358
Ar 0.35945 1.04935 -1.59893
Ar -0.71884 1.52875 -1.03211
Ar 0.85220 -2.13245 0.36218
Ar -1.02379 -0.14486 -0.25249
Ar 1.41376 -0.01639 0.74409
Ar -0.32000 1.18110 -0.10741
Ar 1.65211 0.28121 -0.35858
Ar -1.63563 -0.77155 1.31219
Ar 0.22884 -1.11955 -1.21884
Ar 2.02260 -0.54127 0.79458
Ar -0.98610 1.40092 -1.51897
Ar 0.52630 0.76243 -0.55503
Ar 0.52424 -2.12291 -0.03775
Ar -0.35389 0.50679 1.72537
Ar 0.73588 0.35371 -1.69266
Ar 0.42736 -1.42372 -0.64121
Ar -1.53894 -0.09235 -1.10881
Ar 0.18183 0.26488 1.66750
Ar -2.02449 0.25318 -0.38345
Ar -1.88052 -0.05317 -0.73079
Ar 0.05116 -1.21544 -0.07800
Ar 1.78685 1.14255 0.69834
Ar -1.27046 -0.49767 1.38609
Ar -0.46538 -0.42174 -0.89273
Ar 1.12098 0.27696 0.75688
Ar -1.01905 -1.39834 -0.43915
Ar -1.21316 -0.51842 0.66568
Ar -0.38055 -0.96172 0.06064
Ar -0.86860 1.96268 0.63250
Ar -1.66741 -0.47394 1.19476
Ar 1.04930 1.37306 -1.28263
Ar -0.28569 -1.99678 0.91456
Ar -0.51393 1.46114 -1.33832
Ar 1.01509 0.38491 -0.24454
Ar -1.27938 0.57668 1.47547
Ar -0.01806 -1.10725 -0.68004
Ar 1.03742 -1.19077 -0.36353
Ar 1.13453 -0.53046 0.50130
Ar 0.86958 -0.19816 -0.95273
Ar -0.02429 0.89133 1.57460
Ar 1.55564 -0.56738 1.39431
Ar 0.04635 -0.61779 -0.19206
Ar 0.11342 0.31427 0.86146
Ar -0.51879 1.56630 -0.16556
Ar -0.26782 -0.78209 2.14712
Ar -1.33042 0.41631 0.01955
Ar -0.51500 -0.18097 1.93783
Ar 0.30189 -1.94593 -0.88216
Ar -0.62014 -1.39836 -0.56829
Ar 1.91080 1.13719 0.35400
Ar -0.75540 -0.25823 0.19051
Ar -0.89175 -1.44329 0.99460
Ar -1.41969 -1.05522 0.64377
Ar -0.39773 -0.01120 -0.85771
Ar 0.04147 1.10398 -1.02642
Ar -0.26777 1.11148 1.12234
Ar -1.89401 -0.36098 -0.60810
Ar 0.90054 0.55654 -1.26925
Ar -0.17928 -2.17825 0.49073
Ar -0.42229 0.85719 0.56461
Ar 0.93159 -0.34083 0.95667
Ar 1.76482 0.62233 -0.61150
Ar -0.47414 -1.47130 -0.10524
Ar 0.04365 0.55374 -1.29224
Ar -0.29344 -1.13467 -1.42304
Ar 0.80788 -1.06812 1.29868
Ar 1.42588 -1.39688 -0.13529
Ar 0.62620 -0.91926 -2.03111
Ar 0.72355 1.65208 -1.02555
Ar 0.39109 -1.00655 0.49535
Ar -0.54175 -0.01496 0.46458
Ar -0.57086 -1.57181 -0.99752
Ar 0.00742 1.51663 1.59151
Ar -0.07430 -0.38166 -1.66383
Ar 1.66495 -1.26450 -0.77068
Ar -0.30250 1.35909 -0.75257
Ar 0.19072 1.70932 -0.49610
Ar -0.43744 -0.56316 -1.28527
Ar 0.20255 -0.42599 -1.34694
Ar 1.27565 1.54417 0.88282
Ar 0.11951 -2.25699 -0.32458
Ar -2.03522 -0.25764 0.76861
Ar 0.56097 0.38004 -0.52162
125
Energy =     1 kcal/mol
Ar -0.33512 0.94153 -0.24240
Ar 1.81505 0.37751 -1.30910
Ar -1.12054 0.47970 -0.60909
Ar -0.84091 -0.75744 -0.08599
Ar 0.05967 1.16232 -0.54986
Ar -1.33686 -1.47362 1.25315
Ar -0.80267 -0.33703 1.70958
Ar -0.86664 -1.75665 -0.38362
Ar 0.10812 0.97777 0.65615
Ar 0.14984 1.63930 0.34433
Ar 1.39747 0.51449 -0.14729
Ar -1.27916 -1.41776 -1.04489
Ar -0.66388 -1.94566 0.39354
Ar 1.33842 1.03183 0.31224
Ar -0.96970 -1.32516 0.75598
Ar 0.77409 -1.52907 -1.41818
Ar -0.01465 0.03586 1.75947
Ar 1.08512 -1.61722 0.71171
Ar -0.57308 -0.59795 -1.95660
Ar -0.68429 -0.79118 -1.54823
Ar -0.80929 1.98767 -0.92817
Ar -1.09403 -1.02900 -0.92765
Ar 0.53047 -2.16118 -0.68073
Ar 1.50649 0.75070 -0.50053
Ar 0.11484 0.02527 0.93722
Ar 1.71064 -0.55172 -0.42710
Ar 0.89641 1.53336 0.70516
Ar -0.03761 -0.55738 0.91463
Ar -2.09522 0.61651 0.18205
Ar 0.61944 1.30769 0.13747
Ar -1.40936 1.41231 0.17398
Ar -0.35901 1.61462 -1.08928
Ar -0.02873 -1.43779 -1.63380
Ar 0.61734 0.16783 -0.92963
Ar 1.57273 -0.85771 -0.45692
Ar 0.67176 0.09555 1.22860
Ar -0.46629 0.04784 -0.42571
Ar -0.05192 -0.77045 1.85034
Ar -2.00342 -0.95246 0.67027
Ar -0.52380 1.82565 0.85624
Ar 1.15661 -1.41776 -0.59433
Ar 0.23324 0.64362 -0.14743
Ar 0.52580 1.12833 -1.45256
Ar -0.74916 1.49174 -0.99058
Ar 0.88479 -2.04051 0.34197
Ar -1.01475 -0.05026 -0.22453
Ar 1.28228 -0.06212 0.80029
Ar -0.23366 1.31788 -0.06284
Ar 1.70730 0.13713 -0.36421
Ar -1.61100 -0.84197 1.27310
Ar 0.21846 -1.10735 -1.23969
Ar 1.97796 -0.53948 0.77466
Ar -0.92609 1.34953 -1.51717
Ar 0.56352 0.78877 -0.52613
Ar 0.51941 -2.13534 0.18833
Ar -0.43937 0.48772 1.76310
Ar 0.63679 0.43059 -1.65512
Ar 0.37344 -1.46151 -0.68328
Ar -1.63423 -0.10493 -1.11849
Ar 0.35550 0.27285 1.74304
Ar -1.99960 0.23621 -0.28653
Ar -1.84981 -0.10462 -0.84373
Ar 0.06966 -1.16291 -0.08660
Ar 1.85985 1.17527 0.67983
Ar -1.27093 -0.38316 1.29927
Ar -0.56164 -0.39181 -1.00934
Ar 1.24809 0.26354 0.66176
Ar -1.05194 -1.22910 -0.36951
Ar -1.22059 -0.40603 0.56931
Ar -0.33647 -1.09482 0.01672
Ar -0.91626 2.03551 0.65053
Ar -1.74127 -0.43635 1.24330
Ar 1.11280 1.33040 -1.15573
Ar -0.33836 -2.09653 0.94679
Ar -0.51259 1.53066 -1.36730
Ar 1.06280 0.35757 -0.27456
Ar -1.16904 0.51147 1.49085
Ar -0.06054 -1.14816 -0.80194
Ar 0.98162 -1.25511 -0.27748
Ar 1.16920 -0.50373 0.62605
Ar 0.84229 -0.27427 -0.91569
Ar -0.03317 0.96246 1.56597
Ar 1.60263 -0.43340 1.39845
Ar 0.12372 -0.68840 -0.21633
Ar 0.06679 0.31959 0.82655
Ar -0.51004 1.56669 -0.08332
Ar -0.24501 -0.79101 2.11863
Ar -1.36720 0.31980 0.04207
Ar -0.51412 -0.14162 1.96408
Ar 0.32250 -2.01155 -0.85318
Ar -0.56882 -1.31407 -0.58505
Ar 1.93831 1.08952 0.35380
Ar -0.82757 -0.25151 0.24265
Ar -0.88050 -1.59217 1.05721
Ar -1.38852 -0.99558 0.73162
Ar -0.37874 -0.05448 -0.81614
Ar -0.03463 1.04923 -0.94023
Ar -0.30678 1.16043 1.13990
Ar -1.93492 -0.39426 -0.58637
Ar 1.00694 0.53840 -1.29049
Ar -0.11577 -2.15089 0.42360
Ar -0.33186 0.92322 0.56724
Ar 1.07600 -0.37409 0.86534
Ar 1.85740 0.59635 -0.57312
Ar -0.44429 -1.44964 -0.11705
Ar -0.13843 0.43546 -1.27966
Ar -0.32514 -1.24894 -1.52995
Ar 0.83500 -1.12027 1.18597
Ar 1.42148 -1.41039 -0.21697
Ar 0.61418 -0.88447 -1.99410
Ar 0.60137 1.61860 -0.99895
Ar 0.43017 -1.04739 0.52330
Ar -0.61154 0.02763 0.44595
Ar -0.48695 -1.40211 -0.98467
Ar -0.12522 1.48947 1.36332
Ar -0.01003 -0.29698 -1.53547
Ar 1.73771 -1.27109 -0.71885
Ar -0.29636 1.35061 -0.76004
Ar 0.17177 1.82750 -0.56914
Ar -0.49038 -0.61844 -1.33816
Ar 0.24539 -0.37652 -1.27982
Ar 1.20721 1.61741 0.94422
Ar 0.03504 -2.18630 -0.34299
Ar -2.02532 -0.16992 0.91376
Ar 0.51894 0.45916 -0.51663
125
Energy =     1 kcal/mol
Ar -0.24926 0.98525 -0.28208
Ar 1.79649 0.37214 -1.31591
Ar -1.16549 0.52604 -0.58786
Ar -0.88302 -0.73416 -0.03609
Ar -0.02139 1.09303 -0.55469
Ar -1.18509 -1.37409 1.27718
Ar -0.75336 -0.38351 1.67510
Ar -0.83992 -1.83160 -0.24150
Ar 0.13503 1.00530 0.67936
Ar 0.07488 1.70190 0.37880
Ar 1.35995 0.50873 -0.19515
Ar -1.43313 -1.38589 -0.99684
Ar -0.70060 -1.95725 0.44615
Ar 1.33136 1.09990 0.21895
Ar -0.89783 -1.37833 0.85779
Ar 0.78988 -1.56169 -1.51241
Ar 0.05141 -0.00625 1.80406
Ar 1.00420 -1.54794 0.77446
Ar -0.54589 -0.47449 -1.75235
Ar -0.63816 -0.89440 -1.65539
Ar -0.73522 1.87295 -0.88842
Ar -0.98513 -0.98906 -0.98035
Ar 0.58658 -2.09172 -0.67568
Ar 1.59733 0.72830 -0.54602
Ar 0.18153 0.02349 0.89755
Ar 1.77936 -0.62571 -0.41741
Ar 0.98191 1.46872 0.76387
Ar -0.02184 -0.64492 0.89401
Ar -2.14276 0.66812 0.27312
Ar 0.64912 1.40767 0.06787
Ar -1.49245 1.39150 0.18993
Ar -0.43647 1.63768 -1.08919
Ar 0.03040 -1.40572 -1.58981
Ar 0.59815 0.18635 -0.95276
Ar 1.63487 -0.96939 -0.27755
Ar 0.76928 0.00431 1.22545
Ar -0.46419 0.08919 -0.34000
Ar 0.01199 -0.84096 1.87049
Ar -1.99913 -0.92318 0.56450
Ar -0.51096 1.75446 0.80877
Ar 1.12952 -1.45188 -0.62018
Ar 0.20679 0.62895 0.03364
Ar 0.69248 1.20746 -1.30517
Ar -0.76873 1.46025 -0.95464
Ar 0.90911 -1.94181 0.31892
Ar -1.00465 0.04486 -0.19447
Ar 1.19693 -0.05255 0.83315
Ar -0.14134 1.45633 -0.01807
Ar 1.76092 -0.00209 -0.36992
Ar -1.57910 -0.94159 1.24118
Ar 0.20499 -1.09676 -1.25930
Ar 1.93282 -0.53754 0.75494
Ar -0.86099 1.30070 -1.51214
Ar 0.60435 0.87507 -0.49745
Ar 0.51927 -2.14621 0.41621
Ar -0.52373 0.46770 1.80055
Ar 0.53920 0.50820 -1.61530
Ar 0.31771 -1.49949 -0.72637
Ar -1.67114 -0.11516 -1.20834
Ar 0.52794 0.28001 1.81747
Ar -1.97417 0.21909 -0.18945
Ar -1.87619 -0.14329 -0.88293
Ar 0.08199 -1.10635 -0.09542
Ar 1.85380 1.17384 0.67873
Ar -1.27663 -0.27053 1.21174
Ar -0.65404 -0.36039 -1.12843
Ar 1.36715 0.27154 0.56025
Ar -1.08081 -1.05999 -0.30133
Ar -1.22586 -0.29356 0.47160
Ar -0.27259 -1.19644 -0.01563
Ar -0.90429 1.98234 0.63087
Ar -1.81762 -0.36656 1.28132
Ar 1.17475 1.28797 -1.02861
Ar -0.36657 -2.04838 0.91015
Ar -0.55255 1.57925 -1.45992
Ar 1.10444 0.32709 -0.30823
Ar -1.05842 0.44609 1.50631
Ar -0.10014 -1.19072 -0.92513
Ar 0.92477 -1.31420 -0.18316
Ar 1.28825 -0.58754 0.53941
Ar 0.81274 -0.34673 -0.87882
Ar -0.04383 1.03493 1.55517
Ar 1.64938 -0.29934 1.40190
Ar 0.19988 -0.76354 -0.23943
Ar 0.00815 0.42339 0.75455
Ar -0.50411 1.56801 -0.00146
Ar -0.26202 -0.80193 2.14217
Ar -1.40307 0.22218 0.06343
Ar -0.51587 -0.10450 1.98566
Ar 0.24758 -2.00793 -0.90433
Ar -0.51798 -1.23254 -0.60313
Ar 1.97615 1.03350 0.31126
Ar -0.89943 -0.24120 0.29707
Ar -0.87383 -1.73578 1.11592
Ar -1.35637 -0.93665 0.82110
Ar -0.36301 -0.10156 -0.77405
Ar -0.11498 0.99876 -0.85225
Ar -0.35596 1.18003 1.15307
Ar -1.97709 -0.44177 -0.55721
Ar 1.11121 0.51946 -1.31292
Ar -0.05367 -2.12259 0.35770
Ar -0.23548 0.99030 0.57157
Ar 1.09769 -0.37333 1.01591
Ar 1.94498 0.56911 -0.53221
Ar -0.43043 -1.45854 -0.14703
Ar -0.32027 0.31705 -1.26656
Ar -0.36327 -1.35913 -1.63428
Ar 0.86221 -1.17255 1.07264
Ar 1.41024 -1.42109 -0.30505
Ar 0.60083 -0.84804 -1.95303
Ar 0.47945 1.58403 -0.97256
Ar 0.46914 -1.08818 0.55110
Ar -0.68492 0.06566 0.42392
Ar -0.40541 -1.22989 -0.96646
Ar -0.24626 1.48925 1.13985
Ar 0.04472 -0.20961 -1.41390
Ar 1.80688 -1.27499 -0.66386
Ar -0.28533 1.33979 -0.77200
Ar 0.15255 1.94397 -0.64283
Ar -0.51371 -0.64448 -1.35623
Ar 0.29649 -0.33043 -1.20472
Ar 1.13731 1.69120 1.00502
Ar -0.04750 -2.11483 -0.36245
Ar -2.01322 -0.08445 1.06115
Ar 0.47022 0.47731 -0.50915
125
Energy =     1 kcal/mol
Ar -0.21315 1.01098 -0.24735
Ar 1.77742 0.36694 -1.32244
Ar -1.21021 0.57162 -0.56592
Ar -0.92675 -0.71280 0.01208
Ar -0.03015 1.07335 -0.56155
Ar -1.01412 -1.25751 1.28084
Ar -0.70178 -0.42728 1.64338
Ar -0.81141 -1.90473 -0.09890
Ar 0.16668 1.03157 0.70493
Ar -0.00175 1.76217 0.41059
Ar 1.36818 0.53492 -0.22800
Ar -1.58584 -1.35272 -0.94849
Ar -0.73589 -1.96865 0.49993
Ar 1.32494 1.16775 0.12591
Ar -0.82808 -1.43591 0.96611
Ar 0.76573 -1.51603 -1.53001
Ar 0.11803 -0.04737 1.84890
Ar 0.92357 -1.48531 0.83329
Ar -0.51967 -0.35519 -1.54244
Ar -0.59130 -0.99554 -1.76438
Ar -0.66962 1.75547 -0.83273
Ar -0.87491 -0.95050 -1.03274
Ar 0.63070 -1.96206 -0.64603
Ar 1.68698 0.70245 -0.58765
Ar 0.24795 0.02102 0.85834
Ar 1.85206 -0.69009 -0.40772
Ar 1.06335 1.40002 0.81716
Ar -0.00577 -0.73215 0.87326
Ar -2.18010 0.71606 0.36217
Ar 0.67841 1.50746 -0.00151
Ar -1.57548 1.37067 0.20589
Ar -0.49639 1.65140 -1.07903
Ar 0.09061 -1.37149 -1.54304
Ar 0.57887 0.20437 -0.97450
Ar 1.69209 -1.09479 -0.10073
Ar 0.86884 -0.08880 1.22040
Ar -0.46306 0.12875 -0.25772
Ar 0.08579 -0.91097 1.87798
Ar -1.98590 -0.88987 0.45644
Ar -0.51211 1.69179 0.74829
Ar 1.10538 -1.48422 -0.63785
Ar 0.18038 0.61490 0.21360
Ar 0.86008 1.28767 -1.15547
Ar -0.78053 1.43382 -0.92224
Ar 0.92889 -1.84443 0.29720
Ar -0.99504 0.14070 -0.16184
Ar 1.14921 0.03819 0.83277
Ar -0.04698 1.59222 0.02788
Ar 1.81409 -0.14048 -0.37582
Ar -1.54431 -1.04017 1.20507
Ar 0.18666 -1.09011 -1.27846
Ar 1.88685 -0.53550 0.73524
Ar -0.79050 1.25692 -1.50456
Ar 0.64348 0.96049 -0.46870
Ar 0.52238 -2.15440 0.64308
Ar -0.60878 0.44633 1.83750
Ar 0.44227 0.58580 -1.57457
Ar 0.26011 -1.53851 -0.77110
Ar -1.67129 -0.12339 -1.34976
Ar 0.69852 0.28583 1.89140
Ar -1.94784 0.20203 -0.09186
Ar -1.94063 -0.18798 -0.86573
Ar 0.09858 -1.05295 -0.10252
Ar 1.79148 1.13448 0.65239
Ar -1.28440 -0.15866 1.12424
Ar -0.74244 -0.33112 -1.24979
Ar 1.48429 0.27570 0.46162
Ar -1.10679 -0.88828 -0.23153
Ar -1.27332 -0.18070 0.38757
Ar -0.17921 -1.22428 -0.00969
Ar -0.87479 1.89620 0.60287
Ar -1.88770 -0.29843 1.31588
Ar 1.23459 1.24515 -0.90241
Ar -0.38718 -1.94635 0.84787
Ar -0.60549 1.61490 -1.56548
Ar 1.10332 0.26719 -0.36119
Ar -0.94660 0.38054 1.52243
Ar -0.01016 -1.22570 -1.03763
Ar 0.87248 -1.37522 -0.09271
Ar 1.40945 -0.67284 0.44892
Ar 0.78146 -0.41755 -0.84273
Ar -0.05637 1.10838 1.54186
Ar 1.69561 -0.16535 1.40459
Ar 0.28100 -0.83181 -0.26749
Ar -0.04982 0.52946 0.68177
Ar -0.49855 1.57036 0.08029
Ar -0.28376 -0.79668 2.13515
Ar -1.43659 0.12278 0.08320
Ar -0.51885 -0.06890 2.00348
Ar 0.16733 -1.99740 -0.95792
Ar -0.46599 -1.15247 -0.61644
Ar 2.01165 0.97903 0.27251
Ar -0.92660 -0.22709 0.33677
Ar -0.85664 -1.84679 1.15501
Ar -1.32598 -0.87855 0.91500
Ar -0.34962 -0.14839 -0.73064
Ar -0.22285 0.92764 -0.83788
Ar -0.44182 1.10179 1.15585
Ar -2.01775 -0.48492 -0.53244
Ar 1.21484 0.50041 -1.33536
Ar 0.00881 -2.09394 0.29230
Ar -0.14428 1.05786 0.57435
Ar 1.07974 -0.44646 1.20293
Ar 2.03005 0.54157 -0.49086
Ar -0.45781 -1.54536 -0.21630
Ar -0.50176 0.19747 -1.25289
Ar -0.40192 -1.46568 -1.73655
Ar 0.88823 -1.21839 0.96156
Ar 1.39449 -1.42822 -0.39826
Ar 0.58732 -0.81173 -1.91167
Ar 0.35747 1.54852 -0.94637
Ar 0.50852 -1.12914 0.57930
Ar -0.76163 0.09969 0.39972
Ar -0.45114 -1.06434 -0.96412
Ar -0.31731 1.57816 0.93849
Ar 0.07784 -0.11279 -1.30946
Ar 1.82816 -1.24588 -0.58909
Ar -0.27209 1.32535 -0.78522
Ar 0.13361 2.05902 -0.71725
Ar -0.53686 -0.66741 -1.37224
Ar 0.36914 -0.29336 -1.11109
Ar 1.06641 1.76059 1.06580
Ar -0.12937 -2.04269 -0.38246
Ar -1.98496 0.00236 1.19985
Ar 0.42269 0.49561 -0.50228
125
Energy =     1 kcal/mol
Ar -0.22920 1.01694 -0.13436
Ar 1.75655 0.36225 -1.32875
Ar -1.25457 0.61645 -0.54327
Ar -0.94515 -0.67171 0.09559
Ar 0.01931 1.08693 -0.62825
Ar -0.84184 -1.14327 1.27891
Ar -0.64922 -0.46944 1.61332
Ar -0.78051 -1.97593 0.04422
Ar 0.23862 1.05248 0.74728
Ar -0.08098 1.81878 0.43769
Ar 1.38135 0.56378 -0.26201
Ar -1.70279 -1.29088 -0.88039
Ar -0.76828 -1.97914 0.55594
Ar 1.31876 1.23528 0.03308
Ar -0.76087 -1.48587 1.07918
Ar 0.71960 -1.42826 -1.50616
Ar 0.18441 -0.08832 1.89385
Ar 0.86213 -1.58163 0.81559
Ar -0.45783 -0.22478 -1.35985
Ar -0.54227 -1.09692 -1.86976
Ar -0.65838 1.69248 -0.69394
Ar -0.78103 -0.91007 -1.09299
Ar 0.67230 -1.83068 -0.61784
Ar 1.77765 0.67368 -0.62588
Ar 0.31404 0.01953 0.81887
Ar 1.92340 -0.75627 -0.39674
Ar 1.14482 1.33558 0.87313
Ar 0.01063 -0.81945 0.85234
Ar -2.10370 0.72639 0.43198
Ar 0.70743 1.60682 -0.07099
Ar -1.65846 1.34978 0.22187
Ar -0.49772 1.61988 -1.14710
Ar 0.14735 -1.34072 -1.49607
Ar 0.55831 0.22082 -0.99572
Ar 1.74931 -1.22004 0.07125
Ar 0.97263 -0.18489 1.21213
Ar -0.46401 0.16745 -0.17637
Ar 0.15536 -0.97959 1.88841
Ar -1.97239 -0.85649 0.34853
Ar -0.59713 1.68439 0.55842
Ar 1.07817 -1.51726 -0.65536
Ar 0.15264 0.60164 0.39585
Ar 1.03104 1.36755 -1.00208
Ar -0.79208 1.39230 -0.89802
Ar 0.94732 -1.74598 0.27591
Ar -0.98593 0.23606 -0.12644
Ar 1.10061 0.12743 0.83470
Ar 0.04277 1.72938 0.07949
Ar 1.86725 -0.28044 -0.38185
Ar -1.50533 -1.13710 1.16509
Ar 0.20695 -1.04500 -1.34657
Ar 1.83936 -0.53374 0.71479
Ar -0.71740 1.21692 -1.49546
Ar 0.68090 1.04323 -0.44023
Ar 0.50481 -2.07523 0.84024
Ar -0.69654 0.42214 1.87172
Ar 0.34550 0.66315 -1.53331
Ar 0.20028 -1.57874 -0.81928
Ar -1.67259 -0.13193 -1.48895
Ar 0.86857 0.29121 1.96506
Ar -1.91930 0.18464 0.00652
Ar -2.00480 -0.23633 -0.84609
Ar 0.12194 -1.01856 -0.09162
Ar 1.73108 1.09336 0.62138
Ar -1.29303 -0.04707 1.03672
Ar -0.86181 -0.30761 -1.34979
Ar 1.60015 0.27886 0.36414
Ar -1.15776 -0.73474 -0.19633
Ar -1.36737 -0.07895 0.34374
Ar -0.12958 -1.27959 0.00766
Ar -0.89446 1.83594 0.56877
Ar -1.85023 -0.25787 1.29989
Ar 1.28996 1.20261 -0.77897
Ar -0.41237 -1.84390 0.78364
Ar -0.61532 1.53110 -1.55132
Ar 1.09958 0.20617 -0.41547
Ar -0.83147 0.31535 1.54179
Ar 0.06024 -1.29834 -1.09749
Ar 0.82170 -1.43760 -0.00299
Ar 1.53191 -0.75773 0.35928
Ar 0.74701 -0.48673 -0.80853
Ar -0.07050 1.18188 1.52669
Ar 1.74132 -0.03153 1.40683
Ar 0.39660 -0.85652 -0.32749
Ar -0.10590 0.63889 0.60712
Ar -0.48692 1.57297 0.16301
Ar -0.29733 -0.78003 2.09216
Ar -1.47914 0.03685 0.07723
Ar -0.52247 -0.03294 2.01872
Ar 0.08932 -1.98321 -1.00831
Ar -0.41457 -1.07588 -0.61703
Ar 2.04425 0.92626 0.23793
Ar -0.89778 -0.22105 0.35723
Ar -0.76024 -1.79536 1.08723
Ar -1.29785 -0.82288 1.01334
Ar -0.33694 -0.19428 -0.68707
Ar -0.34039 0.85431 -0.84480
Ar -0.52524 1.02535 1.15828
Ar -2.05725 -0.52398 -0.51204
Ar 1.31987 0.48103 -1.35749
Ar 0.07151 -2.06500 0.22721
Ar -0.09455 1.12756 0.56041
Ar 1.05988 -0.51414 1.38922
Ar 2.11105 0.51534 -0.45038
Ar -0.48406 -1.63137 -0.28515
Ar -0.68301 0.07389 -1.23945
Ar -0.40997 -1.46328 -1.71404
Ar 0.89258 -1.10478 0.92390
Ar 1.38385 -1.43169 -0.48985
Ar 0.57360 -0.77567 -1.86993
Ar 0.23511 1.51260 -0.91971
Ar 0.55001 -1.17092 0.60933
Ar -0.83801 0.13912 0.37472
Ar -0.49396 -0.89592 -0.96999
Ar -0.25346 1.58264 0.87061
Ar 0.11130 -0.01664 -1.20402
Ar 1.83007 -1.20473 -0.50483
Ar -0.25860 1.30520 -0.79806
Ar 0.11482 2.17245 -0.79197
Ar -0.56459 -0.69849 -1.37978
Ar 0.44397 -0.25467 -1.01560
Ar 0.95294 1.75508 1.08090
Ar -0.21147 -1.96906 -0.40238
Ar -1.87799 0.13126 1.26861
Ar 0.37683 0.51645 -0.49630
125
Energy =     1 kcal/mol
Ar -0.24402 1.02378 -0.02335
Ar 1.73346 0.35816 -1.33477
Ar -1.29846 0.66064 -0.51992
Ar -0.94488 -0.61650 0.20582
Ar 0.06315 1.10186 -0.69757
Ar -0.66952 -1.03326 1.27362
Ar -0.59619 -0.51109 1.58425
Ar -0.74811 -2.04579 0.18975
Ar 0.31274 1.07098 0.78989
Ar -0.16345 1.87047 0.46232
Ar 1.39352 0.58995 -0.29872
Ar -1.75150 -1.17556 -0.77558
Ar -0.79542 -1.98674 0.61383
Ar 1.31247 1.30248 -0.05987
Ar -0.69441 -1.41433 1.19082
Ar 0.67095 -1.33968 -1.48191
Ar 0.25052 -0.12930 1.93881
Ar 0.80005 -1.68798 0.79116
Ar -0.37501 -0.09308 -1.18883
Ar -0.48669 -1.19190 -1.95407
Ar -0.64538 1.63032 -0.55639
Ar -0.80854 -0.87115 -1.19739
Ar 0.71505 -1.69638 -0.59049
Ar 1.87168 0.64199 -0.66004
Ar 0.38023 0.01843 0.77927
Ar 1.99273 -0.82283 -0.38614
Ar 1.22557 1.27384 0.93029
Ar 0.02742 -0.90699 0.83121
Ar -2.01126 0.73127 0.49872
Ar 0.73618 1.70552 -0.14065
Ar -1.74147 1.32874 0.23791
Ar -0.50241 1.58192 -1.21227
Ar 0.19620 -1.34803 -1.46667
Ar 0.53452 0.23274 -1.01698
Ar 1.80599 -1.34387 0.24153
Ar 1.07783 -0.28156 1.20306
Ar -0.46784 0.20607 -0.09487
Ar 0.22269 -1.04715 1.89983
Ar -1.95871 -0.82299 0.24061
Ar -0.57673 1.63205 0.48309
Ar 1.03550 -1.55553 -0.67905
Ar 0.17426 0.57851 0.54936
Ar 1.20160 1.44844 -0.84879
Ar -0.79755 1.35102 -0.87782
Ar 0.97173 -1.65244 0.26239
Ar -0.97554 0.32985 -0.08794
Ar 1.05129 0.21475 0.83886
Ar 0.12902 1.86652 0.13577
Ar 1.92087 -0.42495 -0.38794
Ar -1.46275 -1.22967 1.12315
Ar 0.25296 -0.94391 -1.41907
Ar 1.79015 -0.53308 0.69248
Ar -0.66273 1.11293 -1.47389
Ar 0.71780 1.12563 -0.41205
Ar 0.47385 -1.93632 1.01604
Ar -0.78300 0.39634 1.91045
Ar 0.24875 0.74017 -1.49156
Ar 0.13836 -1.62170 -0.87173
Ar -1.66692 -0.13999 -1.62104
Ar 1.03845 0.29641 2.03855
Ar -1.88600 0.16579 0.10565
Ar -2.06947 -0.28880 -0.82187
Ar 0.15109 -0.98165 -0.08179
Ar 1.67175 1.05141 0.58807
Ar -1.30257 0.06429 0.94899
Ar -1.00062 -0.28717 -1.43603
Ar 1.71565 0.28218 0.26662
Ar -1.22712 -0.59197 -0.18619
Ar -1.39845 -0.04563 0.43155
Ar -0.08897 -1.34200 0.02661
Ar -1.05424 1.84923 0.52133
Ar -1.78742 -0.22032 1.27007
Ar 1.34519 1.15842 -0.65457
Ar -0.44672 -1.74234 0.71987
Ar -0.59337 1.48118 -1.51348
Ar 1.09846 0.14871 -0.46847
Ar -0.71616 0.24820 1.55777
Ar 0.11452 -1.39209 -1.13292
Ar 0.76440 -1.49432 0.08012
Ar 1.65643 -0.84264 0.27079
Ar 0.70777 -0.55240 -0.77705
Ar -0.08554 1.25513 1.51045
Ar 1.78668 0.10215 1.40886
Ar 0.51446 -0.87809 -0.38985
Ar -0.21033 0.76558 0.56232
Ar -0.43507 1.54957 0.14336
Ar -0.30903 -0.76378 2.04756
Ar -1.58115 0.02079 -0.06122
Ar -0.52742 0.00531 2.03167
Ar 0.01281 -1.96320 -1.05579
Ar -0.36386 -0.99760 -0.62135
Ar 2.07477 0.87422 0.20532
Ar -0.87600 -0.22460 0.37470
Ar -0.65464 -1.84976 1.00980
Ar -1.27182 -0.77182 1.11404
Ar -0.32452 -0.23987 -0.64427
Ar -0.45417 0.78891 -0.84882
Ar -0.60726 0.94959 1.16070
Ar -2.09585 -0.55884 -0.49639
Ar 1.42698 0.46120 -1.37936
Ar 0.13396 -2.03565 0.16203
Ar -0.04960 1.19480 0.54548
Ar 1.03958 -0.57923 1.57356
Ar 2.18635 0.49158 -0.41250
Ar -0.51676 -1.71121 -0.35041
Ar -0.86244 -0.05567 -1.22691
Ar -0.39539 -1.37180 -1.59461
Ar 0.89225 -0.98176 0.88755
Ar 1.38877 -1.42987 -0.57395
Ar 0.55948 -0.74012 -1.82748
Ar 0.10954 1.47413 -0.89111
Ar 0.59591 -1.21340 0.64291
Ar -0.91434 0.18687 0.34735
Ar -0.41665 -0.72728 -0.93050
Ar -0.18674 1.58486 0.80078
Ar 0.15003 0.07715 -1.09510
Ar 1.82953 -1.16053 -0.41788
Ar -0.24553 1.28153 -0.81191
Ar 0.08848 2.13308 -0.81065
Ar -0.59018 -0.72394 -1.38502
Ar 0.51945 -0.21244 -0.91951
Ar 0.83624 1.73927 1.08997
Ar -0.28633 -1.90053 -0.42455
Ar -1.76521 0.26639 1.33025
Ar 0.33157 0.53813 -0.49124
125
Energy =     1 kcal/mol
Ar -0.25885 1.03220 0.08933
Ar 1.79926 0.32274 -1.32556
Ar -1.34182 0.70430 -0.49591
Ar -0.94660 -0.55663 0.31457
Ar 0.10899 1.11711 -0.76764
Ar -0.49792 -0.92678 1.26778
Ar -0.54267 -0.55378 1.55570
Ar -0.71557 -2.11416 0.34078
Ar 0.38089 1.08947 0.82847
Ar -0.24765 1.91371 0.48602
Ar 1.40572 0.61536 -0.33681
Ar -1.79991 -1.05959 -0.67042
Ar -0.81498 -1.98978 0.67252
Ar 1.30581 1.36903 -0.15446
Ar -0.62736 -1.33231 1.30225
Ar 0.61575 -1.24997 -1.45703
Ar 0.31643 -0.17038 1.98374
Ar 0.73455 -1.79369 0.76643
Ar -0.29469 0.03795 -1.01599
Ar -0.38658 -1.18377 -1.85918
Ar -0.63270 1.56342 -0.42376
Ar -0.89130 -0.86761 -1.25558
Ar 0.71381 -1.57190 -0.54629
Ar 1.96946 0.60780 -0.68966
Ar 0.44659 0.01813 0.73948
Ar 2.06865 -0.88286 -0.37545
Ar 1.30647 1.21244 0.98701
Ar 0.04460 -0.99489 0.80993
Ar -1.91850 0.73603 0.56507
Ar 0.76476 1.80331 -0.21050
Ar -1.82452 1.30734 0.25410
Ar -0.48740 1.56399 -1.20200
Ar 0.25812 -1.34820 -1.47652
Ar 0.51086 0.23921 -1.03749
Ar 1.80591 -1.42198 0.40083
Ar 1.18289 -0.38044 1.19643
Ar -0.47509 0.24515 -0.01284
Ar 0.28911 -1.11415 1.91144
Ar -1.94486 -0.78928 0.13247
Ar -0.60432 1.62062 0.55746
Ar 1.03692 -1.58278 -0.71954
Ar 0.21033 0.55333 0.69586
Ar 1.37064 1.52954 -0.69593
Ar -0.79619 1.31413 -0.85683
Ar 1.05302 -1.60654 0.30463
Ar -0.96277 0.42096 -0.04453
Ar 1.00164 0.30105 0.84367
Ar 0.21104 2.00297 0.19650
Ar 1.97366 -0.56862 -0.39411
Ar -1.41817 -1.31859 1.08088
Ar 0.30068 -0.84491 -1.49061
Ar 1.74016 -0.53365 0.66839
Ar -0.61452 0.98400 -1.44668
Ar 0.75512 1.20858 -0.38396
Ar 0.44597 -1.79500 1.18928
Ar -0.86573 0.36686 1.95057
Ar 0.15193 0.81694 -1.44930
Ar 0.07519 -1.69132 -0.89794
Ar -1.54799 -0.13877 -1.64267
Ar 1.13431 0.28146 1.97314
Ar -1.85000 0.14602 0.20459
Ar -2.13442 -0.34564 -0.79235
Ar 0.18029 -0.94849 -0.07346
Ar 1.61250 1.00934 0.55418
Ar -1.31342 0.17471 0.85895
Ar -1.15230 -0.29060 -1.54554
Ar 1.83119 0.28612 0.16876
Ar -1.29415 -0.44870 -0.17225
Ar -1.42564 -0.01141 0.52026
Ar -0.04542 -1.40050 0.04365
Ar -1.21124 1.86118 0.47346
Ar -1.72375 -0.17839 1.24015
Ar 1.40124 1.11333 -0.52740
Ar -0.48580 -1.64222 0.65244
Ar -0.58559 1.43314 -1.54990
Ar 1.09816 0.09286 -0.52111
Ar -0.60160 0.18021 1.57484
Ar 0.16010 -1.46849 -1.15919
Ar 0.64890 -1.50285 0.10955
Ar 1.78247 -0.92874 0.18325
Ar 0.66442 -0.61404 -0.74605
Ar -0.10089 1.32822 1.49360
Ar 1.82502 0.23499 1.40550
Ar 0.62983 -0.89934 -0.45150
Ar -0.32653 0.90191 0.52463
Ar -0.32773 1.48778 -0.02245
Ar -0.32044 -0.74725 2.00159
Ar -1.68387 0.00580 -0.19831
Ar -0.53517 0.04734 2.04149
Ar -0.06253 -1.93824 -1.10166
Ar -0.31375 -0.91494 -0.63086
Ar 2.10391 0.82204 0.17336
Ar -0.85775 -0.22607 0.38958
Ar -0.55172 -1.91359 0.93008
Ar -1.24693 -0.72433 1.21520
Ar -0.31246 -0.28663 -0.60445
Ar -0.56635 0.72726 -0.85251
Ar -0.68863 0.87394 1.16301
Ar -2.13370 -0.58953 -0.48584
Ar 1.44520 0.47287 -1.41593
Ar 0.19613 -2.00565 0.09662
Ar -0.00409 1.25929 0.53480
Ar 1.01936 -0.64132 1.75443
Ar 2.23758 0.46639 -0.37501
Ar -0.65060 -1.70680 -0.38221
Ar -1.02397 -0.16370 -1.19051
Ar -0.38077 -1.27667 -1.47952
Ar 0.88798 -0.86208 0.84797
Ar 1.39438 -1.42735 -0.65708
Ar 0.54383 -0.70602 -1.78273
Ar -0.00355 1.44410 -0.86342
Ar 0.64640 -1.25537 0.67959
Ar -0.99233 0.23006 0.31524
Ar -0.33861 -0.56110 -0.88897
Ar -0.12124 1.58727 0.72151
Ar 0.18902 0.16870 -0.98363
Ar 1.82071 -1.12501 -0.33017
Ar -0.25285 1.24819 -0.82517
Ar 0.05762 1.99960 -0.79467
Ar -0.55999 -0.71210 -1.43267
Ar 0.59538 -0.16821 -0.82345
Ar 0.72004 1.72256 1.09865
Ar -0.25890 -1.91555 -0.47983
Ar -1.65191 0.39702 1.39094
Ar 0.28639 0.56019 -0.48718
125
Energy =     1 kcal/mol
Ar -0.27272 1.04462 0.20320
Ar 1.88896 0.27768 -1.30979
Ar -1.38463 0.74756 -0.47139
Ar -0.95918 -0.52902 0.41743
Ar 0.15532 1.12334 -0.83488
Ar -0.32871 -0.82267 1.26516
Ar -0.48760 -0.60067 1.52647
Ar -0.67489 -2.17405 0.48215
Ar 0.44570 1.10803 0.86476
Ar -0.33193 1.94767 0.51243
Ar 1.41828 0.64287 -0.37607
Ar -1.84918 -0.94225 -0.56474
Ar -0.83518 -1.98472 0.73998
Ar 1.29969 1.43297 -0.25529
Ar -0.55839 -1.24484 1.41252
Ar 0.57853 -1.14731 -1.42806
Ar 0.38226 -0.21159 2.02860
Ar 0.66729 -1.89722 0.74243
Ar -0.21103 0.16754 -0.84076
Ar -0.28118 -1.16345 -1.73916
Ar -0.61755 1.49389 -0.29176
Ar -0.97925 -0.86733 -1.30875
Ar 0.67273 -1.45387 -0.48507
Ar 2.07041 0.57133 -0.71417
Ar 0.51318 0.01939 0.69979
Ar 2.09740 -0.95604 -0.34590
Ar 1.38801 1.15053 1.04245
Ar 0.06203 -1.08315 0.78866
Ar -1.82541 0.74077 0.63095
Ar 0.79340 1.89987 -0.28050
Ar -1.90590 1.28431 0.27038
Ar -0.46545 1.55036 -1.16480
Ar 0.30677 -1.34584 -1.51999
Ar 0.53444 0.25123 -1.06400
Ar 1.64167 -1.37025 0.52529
Ar 1.28753 -0.48000 1.19012
Ar -0.48610 0.28512 0.06961
Ar 0.35523 -1.18086 1.92299
Ar -1.93094 -0.75519 0.02356
Ar -0.62458 1.61168 0.63072
Ar 1.08083 -1.60133 -0.77587
Ar 0.24641 0.52918 0.84252
Ar 1.53929 1.60479 -0.53870
Ar -0.78908 1.27866 -0.83573
Ar 1.13390 -1.56184 0.34945
Ar -0.94803 0.50833 0.00405
Ar 0.95123 0.38686 0.84843
Ar 0.29101 2.13850 0.25859
Ar 2.00201 -0.64073 -0.40485
Ar -1.37303 -1.40654 1.03877
Ar 0.32994 -0.76211 -1.54067
Ar 1.68996 -0.53481 0.64364
Ar -0.56539 0.86094 -1.41892
Ar 0.79378 1.29252 -0.35562
Ar 0.42003 -1.65306 1.35980
Ar -0.94293 0.33235 1.98837
Ar 0.05477 0.89374 -1.40630
Ar 0.01928 -1.76103 -0.88071
Ar -1.48349 -0.08254 -1.65379
Ar 1.16808 0.25003 1.79373
Ar -1.81025 0.12454 0.30127
Ar -2.13911 -0.39326 -0.73984
Ar 0.20924 -0.91815 -0.06554
Ar 1.55284 0.96753 0.52092
Ar -1.32253 0.28897 0.77070
Ar -1.23075 -0.35223 -1.64827
Ar 1.94740 0.29156 0.07021
Ar -1.36131 -0.30451 -0.15700
Ar -1.45355 0.01998 0.60416
Ar 0.00011 -1.45718 0.05991
Ar -1.34918 1.84667 0.41942
Ar -1.65920 -0.13499 1.20996
Ar 1.45517 1.07348 -0.39751
Ar -0.52763 -1.54725 0.58525
Ar -0.58487 1.37182 -1.60748
Ar 1.09729 0.03737 -0.57408
Ar -0.48852 0.11252 1.59891
Ar 0.20102 -1.53525 -1.17944
Ar 0.53196 -1.50992 0.13801
Ar 1.90899 -1.01692 0.09363
Ar 0.61853 -0.67044 -0.71568
Ar -0.11629 1.40122 1.47633
Ar 1.79862 0.35942 1.35241
Ar 0.74542 -0.92150 -0.51280
Ar -0.43970 1.04247 0.48653
Ar -0.22216 1.42315 -0.18754
Ar -0.33261 -0.72985 1.95306
Ar -1.78734 -0.00881 -0.33124
Ar -0.54688 0.09354 2.04618
Ar -0.14926 -1.93049 -1.16624
Ar -0.26379 -0.82624 -0.64424
Ar 2.13190 0.76857 0.14113
Ar -0.83191 -0.18943 0.40857
Ar -0.44953 -1.97576 0.84889
Ar -1.22210 -0.67753 1.31618
Ar -0.30152 -0.32117 -0.54361
Ar -0.67785 0.66773 -0.85669
Ar -0.76970 0.79825 1.16510
Ar -2.17001 -0.62032 -0.47607
Ar 1.43750 0.49401 -1.45706
Ar 0.25826 -1.97430 0.03105
Ar 0.04209 1.31231 0.52123
Ar 0.99921 -0.70287 1.93434
Ar 2.19830 0.42559 -0.32690
Ar -0.78908 -1.69805 -0.41221
Ar -1.18252 -0.26791 -1.15048
Ar -0.36558 -1.17916 -1.36737
Ar 0.88186 -0.74517 0.80716
Ar 1.39724 -1.42549 -0.74014
Ar 0.54768 -0.66332 -1.75808
Ar -0.04013 1.48536 -0.85173
Ar 0.69910 -1.29681 0.71702
Ar -1.07040 0.27018 0.27959
Ar -0.25954 -0.41103 -0.86849
Ar -0.06299 1.60150 0.63988
Ar 0.17893 0.24881 -0.86218
Ar 1.79247 -1.10858 -0.23780
Ar -0.34273 1.15527 -0.82664
Ar 0.02627 1.86328 -0.77898
Ar -0.52306 -0.69744 -1.48432
Ar 0.67058 -0.12324 -0.72872
Ar 0.60378 1.70543 1.10713
Ar -0.22503 -1.93391 -0.53830
Ar -1.53835 0.52611 1.45078
Ar 0.24101 0.58210 -0.48464
125
Energy =     1 kcal/mol
Ar -0.25246 1.05894 0.26773
Ar 1.90097 0.22356 -1.24300
Ar -1.42693 0.79056 -0.44653
Ar -0.97979 -0.52421 0.51810
Ar 0.19502 1.13324 -0.90242
Ar -0.15847 -0.72267 1.26138
Ar -0.43363 -0.64854 1.50392
Ar -0.58686 -2.10954 0.57890
Ar 0.50877 1.12693 0.90003
Ar -0.41578 1.97278 0.54169
Ar 1.43174 0.67614 -0.41553
Ar -1.89809 -0.82332 -0.45749
Ar -0.85856 -1.96872 0.82173
Ar 1.29547 1.49255 -0.36231
Ar -0.48764 -1.15322 1.52184
Ar 0.57153 -1.02112 -1.39225
Ar 0.44812 -0.25298 2.07336
Ar 0.59995 -1.99895 0.71817
Ar -0.13854 0.29383 -0.66208
Ar -0.17579 -1.14211 -1.61638
Ar -0.59608 1.42235 -0.15939
Ar -1.06419 -0.86489 -1.36336
Ar 0.63442 -1.33400 -0.42523
Ar 2.14808 0.52620 -0.72443
Ar 0.58021 0.02244 0.66072
Ar 1.99294 -0.98704 -0.28833
Ar 1.46989 1.08803 1.09651
Ar 0.07957 -1.17164 0.76751
Ar -1.73174 0.74506 0.69639
Ar 0.82225 1.99503 -0.35054
Ar -1.91530 1.21298 0.27683
Ar -0.44284 1.53149 -1.12636
Ar 0.31934 -1.36280 -1.56794
Ar 0.56311 0.26236 -1.08856
Ar 1.47249 -1.31575 0.64724
Ar 1.39177 -0.57994 1.18295
Ar -0.50094 0.32619 0.15220
Ar 0.41686 -1.23389 1.91233
Ar -1.91753 -0.72071 -0.08880
Ar -0.63886 1.60532 0.70199
Ar 1.11199 -1.62476 -0.83131
Ar 0.28359 0.50505 0.98885
Ar 1.63195 1.60180 -0.35643
Ar -0.77449 1.24234 -0.81534
Ar 1.21464 -1.51590 0.39546
Ar -0.93177 0.59257 0.05503
Ar 0.89959 0.47205 0.85290
Ar 0.37029 2.27230 0.32073
Ar 2.00922 -0.64143 -0.42823
Ar -1.32760 -1.49436 0.99666
Ar 0.28838 -0.71988 -1.51353
Ar 1.63940 -0.53624 0.61907
Ar -0.51529 0.74056 -1.39009
Ar 0.83520 1.37796 -0.32692
Ar 0.39430 -1.51075 1.52998
Ar -1.01508 0.29481 2.02601
Ar -0.04358 0.97091 -1.36186
Ar -0.03026 -1.82110 -0.85604
Ar -1.53715 0.06179 -1.67905
Ar 1.20196 0.21855 1.61413
Ar -1.76604 0.10214 0.40028
Ar -2.08999 -0.41320 -0.69066
Ar 0.23821 -0.88944 -0.05788
Ar 1.49295 0.92600 0.48865
Ar -1.31939 0.42744 0.69812
Ar -1.18954 -0.50227 -1.73212
Ar 2.06204 0.29775 -0.02097
Ar -1.43001 -0.15912 -0.14165
Ar -1.49538 0.02849 0.66678
Ar 0.04955 -1.51430 0.07631
Ar -1.40586 1.71950 0.33951
Ar -1.59386 -0.09104 1.17889
Ar 1.50611 1.03537 -0.26566
Ar -0.57015 -1.45737 0.52041
Ar -0.58291 1.30958 -1.66004
Ar 1.09301 -0.01901 -0.62826
Ar -0.37692 0.04459 1.62925
Ar 0.23948 -1.60305 -1.20036
Ar 0.41241 -1.51822 0.16595
Ar 2.05481 -1.09872 0.03166
Ar 0.56438 -0.70774 -0.69934
Ar -0.13159 1.47419 1.45872
Ar 1.76397 0.48266 1.29324
Ar 0.86827 -0.96332 -0.55978
Ar -0.58361 1.18733 0.49852
Ar -0.12255 1.35772 -0.35358
Ar -0.34629 -0.71123 1.89927
Ar -1.88981 -0.02508 -0.46291
Ar -0.56220 0.14245 2.04436
Ar -0.23991 -1.92828 -1.23888
Ar -0.21380 -0.73035 -0.65942
Ar 2.15850 0.71127 0.10717
Ar -0.80002 -0.12648 0.42872
Ar -0.34925 -2.03453 0.76588
Ar -1.19715 -0.63060 1.41701
Ar -0.29450 -0.33205 -0.42636
Ar -0.78819 0.61031 -0.86160
Ar -0.85079 0.72243 1.16703
Ar -2.15805 -0.65591 -0.43182
Ar 1.43268 0.51376 -1.49715
Ar 0.32057 -1.93941 -0.03404
Ar 0.10581 1.30672 0.48349
Ar 0.92016 -0.72097 1.99449
Ar 2.15516 0.38960 -0.28990
Ar -0.92627 -1.68975 -0.44244
Ar -1.34172 -0.37319 -1.11472
Ar -0.35012 -1.07912 -1.25722
Ar 0.87578 -0.62924 0.76654
Ar 1.40999 -1.41745 -0.82182
Ar 0.62452 -0.58720 -1.80828
Ar -0.09028 1.46763 -0.85625
Ar 0.75216 -1.33857 0.75371
Ar -1.14812 0.30895 0.24483
Ar -0.17581 -0.28929 -0.90391
Ar -0.03015 1.67532 0.57937
Ar 0.17630 0.33099 -0.73984
Ar 1.69484 -1.12178 -0.15354
Ar -0.43536 1.06467 -0.82939
Ar 0.00808 1.78075 -0.74833
Ar -0.48748 -0.68743 -1.53416
Ar 0.74739 -0.07664 -0.63474
Ar 0.48714 1.68761 1.11522
Ar -0.19036 -1.95055 -0.59901
Ar -1.42455 0.65470 1.51017
Ar 0.19475 0.60167 -0.48575
125
Energy =     1 kcal/mol
Ar -0.22517 1.07615 0.32655
Ar 1.89024 0.16736 -1.16102
Ar -1.46875 0.83335 -0.42144
Ar -0.99847 -0.51427 0.61774
Ar 0.22777 1.14734 -0.97007
Ar 0.01328 -0.62594 1.25549
Ar -0.38138 -0.69835 1.48842
Ar -0.58704 -2.05112 0.60332
Ar 0.57081 1.14655 0.93493
Ar -0.49906 1.99039 0.57319
Ar 1.44663 0.71459 -0.45274
Ar -1.81707 -0.80339 -0.44951
Ar -0.86897 -1.93305 0.89414
Ar 1.27627 1.54484 -0.46981
Ar -0.41543 -1.05566 1.63115
Ar 0.55752 -0.89298 -1.36017
Ar 0.51440 -0.29497 2.11786
Ar 0.53256 -2.09978 0.69356
Ar -0.13487 0.41261 -0.46610
Ar -0.07097 -1.11881 -1.48777
Ar -0.57093 1.34957 -0.02743
Ar -1.14886 -0.85965 -1.41986
Ar 0.59846 -1.20988 -0.36663
Ar 2.08945 0.44787 -0.69469
Ar 0.64785 0.02671 0.62248
Ar 1.92803 -0.99418 -0.28817
Ar 1.55200 1.02457 1.14986
Ar 0.09733 -1.26036 0.74618
Ar -1.63530 0.74717 0.76100
Ar 0.85135 2.08880 -0.42048
Ar -1.90120 1.12623 0.28042
Ar -0.41735 1.50813 -1.08337
Ar 0.33072 -1.37814 -1.60898
Ar 0.58962 0.27305 -1.10968
Ar 1.30022 -1.26257 0.76712
Ar 1.49584 -0.67990 1.17450
Ar -0.51952 0.36821 0.23472
Ar 0.48121 -1.20271 1.88008
Ar -1.91793 -0.65546 -0.11755
Ar -0.64890 1.59931 0.76879
Ar 1.13243 -1.65432 -0.88682
Ar 0.32205 0.48099 1.13455
Ar 1.62316 1.48792 -0.14362
Ar -0.76307 1.21143 -0.79534
Ar 1.29706 -1.46792 0.44384
Ar -0.91619 0.67132 0.10922
Ar 0.84646 0.55649 0.85721
Ar 0.41569 2.20717 0.35390
Ar 2.01403 -0.62674 -0.45554
Ar -1.28163 -1.58250 0.95440
Ar 0.25165 -0.68316 -1.48557
Ar 1.58825 -0.53801 0.59528
Ar -0.46335 0.62253 -1.35968
Ar 0.88145 1.46534 -0.29879
Ar 0.35120 -1.40775 1.65211
Ar -1.06852 0.25211 2.03580
Ar -0.14407 1.04834 -1.31466
Ar -0.03822 -1.84502 -0.90987
Ar -1.57604 0.20349 -1.68910
Ar 1.23609 0.18719 1.43419
Ar -1.73042 0.08287 0.48765
Ar -2.03475 -0.41982 -0.65154
Ar 0.26746 -0.86190 -0.05069
Ar 1.43307 0.88460 0.45684
Ar -1.31896 0.56386 0.62261
Ar -1.14841 -0.65296 -1.81289
Ar 2.12446 0.25655 0.04505
Ar -1.49999 -0.01292 -0.12616
Ar -1.52550 0.03701 0.74237
Ar 0.03475 -1.57790 0.06959
Ar -1.45885 1.58696 0.25849
Ar -1.52773 -0.04637 1.14488
Ar 1.55480 0.99655 -0.13621
Ar -0.61242 -1.36920 0.45620
Ar -0.58015 1.24681 -1.71047
Ar 1.12777 -0.07219 -0.68753
Ar -0.26746 -0.02289 1.66424
Ar 0.27524 -1.66978 -1.22329
Ar 0.35844 -1.52520 0.21439
Ar 2.00404 -1.07329 0.02471
Ar 0.51211 -0.74580 -0.68271
Ar -0.14662 1.54722 1.44069
Ar 1.72863 0.60636 1.23400
Ar 0.98647 -1.00861 -0.60542
Ar -0.73142 1.33671 0.51894
Ar -0.02621 1.29347 -0.52365
Ar -0.36116 -0.69285 1.84015
Ar -1.99259 -0.04583 -0.59521
Ar -0.57995 0.19177 2.03761
Ar -0.32031 -1.87979 -1.27725
Ar -0.16412 -0.62748 -0.67412
Ar 2.18337 0.64657 0.06928
Ar -0.77105 -0.06612 0.44900
Ar -0.15966 -2.06645 0.75111
Ar -1.17203 -0.58342 1.51767
Ar -0.28561 -0.34625 -0.31477
Ar -0.89687 0.55512 -0.86703
Ar -0.93257 0.64644 1.16895
Ar -2.20655 -0.61461 -0.34885
Ar 1.42877 0.53293 -1.53667
Ar 0.38194 -1.89782 -0.09660
Ar 0.16737 1.29592 0.44324
Ar 0.76278 -0.68026 1.89309
Ar 2.16672 0.40836 -0.40150
Ar -1.06316 -1.68150 -0.47270
Ar -1.50056 -0.47922 -1.08029
Ar -0.33264 -0.97711 -1.15370
Ar 0.87009 -0.51336 0.72615
Ar 1.43263 -1.40239 -0.90260
Ar 0.69966 -0.51256 -1.85638
Ar -0.16705 1.34749 -0.88842
Ar 0.80575 -1.38074 0.78939
Ar -1.22395 0.35053 0.21176
Ar -0.09277 -0.17007 -0.93449
Ar -0.00235 1.75396 0.51999
Ar 0.25278 0.38828 -0.66410
Ar 1.53348 -1.16288 -0.06494
Ar -0.51996 0.97183 -0.83459
Ar 0.01410 1.79105 -0.68995
Ar -0.45074 -0.68190 -1.58185
Ar 0.78393 -0.03274 -0.53690
Ar 0.37003 1.66855 1.12270
Ar -0.19742 -2.00213 -0.58989
Ar -1.31010 0.78299 1.56907
Ar 0.14029 0.65251 -0.46043
125
Energy =     1 kcal/mol
Ar -0.19613 1.09755 0.38612
Ar 1.87983 0.11254 -1.07743
Ar -1.51017 0.87593 -0.39610
Ar -1.01617 -0.50163 0.71662
Ar 0.25123 1.16423 -1.03559
Ar 0.18049 -0.53010 1.25278
Ar -0.32523 -0.74613 1.44301
Ar -0.60218 -1.99282 0.62503
Ar 0.63213 1.16656 0.96964
Ar -0.58232 2.00176 0.60678
Ar 1.46341 0.75695 -0.48571
Ar -1.70639 -0.82076 -0.53341
Ar -0.86728 -1.87742 0.95275
Ar 1.25158 1.59501 -0.57290
Ar -0.34224 -0.97347 1.73976
Ar 0.54027 -0.76408 -1.32968
Ar 0.58191 -0.33945 2.16061
Ar 0.45904 -2.17651 0.66143
Ar -0.14496 0.51965 -0.26788
Ar 0.03452 -1.09287 -1.35538
Ar -0.54468 1.27565 0.10686
Ar -1.23349 -0.85111 -1.48123
Ar 0.56361 -1.08188 -0.30942
Ar 1.98676 0.38423 -0.79559
Ar 0.71631 0.03062 0.58511
Ar 1.84376 -0.97889 -0.35083
Ar 1.62286 0.99630 1.20310
Ar 0.11555 -1.34960 0.72401
Ar -1.53973 0.74866 0.82726
Ar 0.84449 2.09205 -0.47132
Ar -1.88610 1.03959 0.28435
Ar -0.40757 1.49453 -1.05117
Ar 0.33908 -1.39239 -1.64471
Ar 0.61520 0.28369 -1.12874
Ar 1.12601 -1.21045 0.88559
Ar 1.59975 -0.77976 1.16470
Ar -0.54190 0.41049 0.31720
Ar 0.59915 -1.04439 1.97752
Ar -1.92012 -0.55940 -0.04844
Ar -0.65493 1.59943 0.83564
Ar 1.15486 -1.68140 -0.94232
Ar 0.36170 0.45716 1.27946
Ar 1.61295 1.37029 0.06765
Ar -0.77387 1.20449 -0.77308
Ar 1.37811 -1.41838 0.49348
Ar -0.90228 0.74442 0.16605
Ar 0.79199 0.64059 0.86179
Ar 0.44285 2.04135 0.37235
Ar 2.01723 -0.61825 -0.47978
Ar -1.23343 -1.67222 0.91188
Ar 0.21606 -0.65028 -1.45719
Ar 1.53655 -0.54028 0.57249
Ar -0.41033 0.50715 -1.32780
Ar 0.93368 1.55457 -0.27334
Ar 0.25167 -1.42318 1.63253
Ar -1.07871 0.19938 1.97016
Ar -0.24615 1.12772 -1.26168
Ar -0.03256 -1.85559 -0.99460
Ar -1.54377 0.33641 -1.62274
Ar 1.27044 0.15620 1.25387
Ar -1.73633 0.07451 0.52274
Ar -1.97803 -0.43177 -0.60591
Ar 0.29779 -0.83586 -0.04501
Ar 1.37348 0.84341 0.42428
Ar -1.31693 0.69601 0.54060
Ar -1.10412 -0.80404 -1.88281
Ar 2.18455 0.21651 0.11962
Ar -1.56976 0.13437 -0.10930
Ar -1.51587 0.04437 0.83231
Ar -0.05713 -1.65045 0.03322
Ar -1.51213 1.45365 0.17760
Ar -1.45676 -0.00822 1.14728
Ar 1.60218 0.95782 -0.01004
Ar -0.65441 -1.28174 0.39229
Ar -0.57654 1.18359 -1.75946
Ar 1.18508 -0.12424 -0.75099
Ar -0.15957 -0.09032 1.70108
Ar 0.30735 -1.73542 -1.24662
Ar 0.38401 -1.52777 0.28948
Ar 1.85471 -1.00664 0.07744
Ar 0.46162 -0.78642 -0.66459
Ar -0.16076 1.62040 1.42181
Ar 1.70391 0.69441 1.17447
Ar 1.10029 -1.05499 -0.65014
Ar -0.87884 1.48408 0.53449
Ar 0.07176 1.23028 -0.69836
Ar -0.37616 -0.65937 1.80840
Ar -2.09561 -0.06782 -0.72753
Ar -0.60033 0.24051 2.02869
Ar -0.39236 -1.80235 -1.29241
Ar -0.11493 -0.52020 -0.68736
Ar 2.20709 0.57666 0.02772
Ar -0.74300 -0.00565 0.46900
Ar 0.04072 -2.09541 0.74350
Ar -1.14668 -0.53601 1.61814
Ar -0.27512 -0.36305 -0.20743
Ar -1.00380 0.50195 -0.87257
Ar -1.01583 0.57071 1.17137
Ar -2.18239 -0.53129 -0.26193
Ar 1.42513 0.55183 -1.57585
Ar 0.44071 -1.85045 -0.15552
Ar 0.22326 1.28641 0.40295
Ar 0.60328 -0.63884 1.79330
Ar 2.21599 0.41386 -0.38637
Ar -1.19994 -1.67322 -0.50297
Ar -1.65941 -0.58578 -1.04577
Ar -0.31156 -0.87481 -1.05606
Ar 0.86430 -0.39631 0.68556
Ar 1.45261 -1.38888 -0.98269
Ar 0.77355 -0.43883 -1.90295
Ar -0.22611 1.20872 -0.90936
Ar 0.86234 -1.42243 0.82405
Ar -1.29806 0.39631 0.18143
Ar -0.00989 -0.05287 -0.96288
Ar 0.02535 1.82985 0.46016
Ar 0.34285 0.40011 -0.62732
Ar 1.37910 -1.20211 0.02334
Ar -0.57695 0.85768 -0.84534
Ar 0.01852 1.79566 -0.63244
Ar -0.41264 -0.67891 -1.62720
Ar 0.79706 0.01049 -0.43560
Ar 0.25214 1.64814 1.12984
Ar -0.21789 -2.06519 -0.55740
Ar -1.19457 0.91060 1.62685
Ar 0.08656 0.76068 -0.40059
125
Energy =     1 kcal/mol
Ar -0.16585 1.12293 0.44324
Ar 1.86543 0.03407 -1.00706
Ar -1.55129 0.91827 -0.37024
Ar -1.03366 -0.48779 0.81525
Ar 0.28692 1.17898 -1.13951
Ar 0.34630 -0.43490 1.25171
Ar -0.26696 -0.78822 1.38368
Ar -0.62060 -1.93240 0.65196
Ar 0.69320 1.18527 1.00381
Ar -0.66625 2.00721 0.64253
Ar 1.48125 0.80032 -0.51631
Ar -1.60011 -0.83212 -0.61768
Ar -0.86392 -1.82155 1.00635
Ar 1.22196 1.64485 -0.67108
Ar -0.26305 -0.97643 1.83137
Ar 0.52818 -0.63791 -1.29656
Ar 0.64776 -0.38605 2.19322
Ar 0.44745 -2.16276 0.55636
Ar -0.16788 0.61341 -0.06579
Ar 0.14154 -1.06296 -1.22319
Ar -0.51605 1.19985 0.24500
Ar -1.31605 -0.84142 -1.54860
Ar 0.52763 -0.95015 -0.25562
Ar 1.88547 0.34552 -0.89045
Ar 0.78595 0.03228 0.54866
Ar 1.76078 -0.95763 -0.41388
Ar 1.62427 1.12077 1.24705
Ar 0.13522 -1.44003 0.69962
Ar -1.44908 0.75155 0.89812
Ar 0.79469 1.98512 -0.49818
Ar -1.86906 0.95368 0.28818
Ar -0.40715 1.48630 -1.02707
Ar 0.34536 -1.40620 -1.67634
Ar 0.63992 0.29433 -1.14614
Ar 0.97980 -1.12995 1.01144
Ar 1.70322 -0.87960 1.15395
Ar -0.56832 0.45140 0.39972
Ar 0.69456 -0.84388 2.00091
Ar -1.88596 -0.46746 0.04649
Ar -0.66079 1.60462 0.89923
Ar 1.18198 -1.70323 -0.99826
Ar 0.40203 0.43355 1.42370
Ar 1.60182 1.24687 0.27784
Ar -0.78108 1.19684 -0.75299
Ar 1.45684 -1.36582 0.54374
Ar -0.88932 0.81416 0.22526
Ar 0.73664 0.72582 0.86706
Ar 0.46574 1.87350 0.39152
Ar 2.01733 -0.61593 -0.50153
Ar -1.18236 -1.76391 0.86905
Ar 0.17204 -0.61923 -1.43021
Ar 1.48449 -0.54312 0.55024
Ar -0.35729 0.39324 -1.29466
Ar 0.99032 1.64590 -0.25283
Ar 0.15269 -1.43733 1.61373
Ar -1.08399 0.14686 1.90351
Ar -0.35302 1.21072 -1.23473
Ar -0.02682 -1.86504 -1.08340
Ar -1.50722 0.46868 -1.55178
Ar 1.30487 0.12563 1.07323
Ar -1.74748 0.06758 0.54910
Ar -1.92233 -0.44767 -0.55522
Ar 0.32892 -0.81093 -0.04077
Ar 1.31585 0.80348 0.38875
Ar -1.30786 0.82233 0.44880
Ar -0.99330 -0.90470 -1.82827
Ar 2.24453 0.17511 0.19250
Ar -1.63703 0.28412 -0.08895
Ar -1.51656 0.07338 0.80798
Ar -0.14490 -1.72301 -0.00210
Ar -1.56615 1.31868 0.09718
Ar -1.36814 0.00871 1.27126
Ar 1.64753 0.92212 0.11751
Ar -0.69618 -1.19469 0.32857
Ar -0.57220 1.12019 -1.80708
Ar 1.23975 -0.17539 -0.81263
Ar -0.05252 -0.15892 1.73823
Ar 0.33408 -1.80059 -1.26836
Ar 0.40601 -1.53150 0.36369
Ar 1.70280 -0.94120 0.12852
Ar 0.41170 -0.82971 -0.64275
Ar -0.17206 1.69362 1.40044
Ar 1.72848 0.61618 1.10905
Ar 1.21385 -1.10241 -0.69507
Ar -1.02381 1.63092 0.54946
Ar 0.15449 1.16947 -0.82940
Ar -0.39688 -0.54446 1.80653
Ar -2.18137 -0.09198 -0.85197
Ar -0.62447 0.28840 2.01866
Ar -0.46004 -1.72522 -1.30419
Ar -0.06604 -0.41214 -0.70072
Ar 2.23056 0.50742 -0.01896
Ar -0.71407 0.05813 0.48795
Ar 0.15518 -2.10679 0.77539
Ar -1.12105 -0.48831 1.71847
Ar -0.26357 -0.38076 -0.10256
Ar -1.10900 0.45040 -0.87801
Ar -1.10066 0.49540 1.17380
Ar -2.18694 -0.44193 -0.21019
Ar 1.42156 0.57060 -1.61482
Ar 0.49765 -1.80088 -0.21223
Ar 0.27368 1.27628 0.36295
Ar 0.44314 -0.59949 1.69854
Ar 2.24555 0.41532 -0.35358
Ar -1.33667 -1.66489 -0.53323
Ar -1.81882 -0.69265 -1.00823
Ar -0.28696 -0.77199 -0.96038
Ar 0.85789 -0.27667 0.64443
Ar 1.46689 -1.37925 -1.06114
Ar 0.84704 -0.36540 -1.94889
Ar -0.27582 1.05525 -0.89695
Ar 0.89288 -1.49369 0.84760
Ar -1.37335 0.44436 0.15273
Ar 0.07312 0.06307 -0.99004
Ar 0.05688 1.90568 0.39988
Ar 0.43084 0.41371 -0.58940
Ar 1.22826 -1.24085 0.11385
Ar -0.63122 0.74692 -0.85768
Ar 0.02256 1.79757 -0.57564
Ar -0.37354 -0.67677 -1.67108
Ar 0.81204 0.05351 -0.33674
Ar 0.13156 1.62702 1.13837
Ar -0.23694 -2.12655 -0.52759
Ar -1.07857 1.03734 1.68365
Ar 0.04791 0.88117 -0.34836
125
Energy =     1 kcal/mol
Ar -0.13532 1.15082 0.49676
Ar 1.84125 -0.11593 -0.97252
Ar -1.59231 0.96079 -0.34245
Ar -1.05126 -0.47321 0.91388
Ar 0.35841 1.19064 -1.32607
Ar 0.51191 -0.34119 1.25469
Ar -0.20892 -0.83014 1.33166
Ar -0.64317 -1.86994 0.68430
Ar 0.75417 1.19983 1.03645
Ar -0.75174 2.00658 0.68025
Ar 1.49954 0.84359 -0.54631
Ar -1.49829 -0.83940 -0.70500
Ar -0.84033 -1.76959 1.06239
Ar 1.18873 1.69546 -0.76469
Ar -0.18390 -0.97740 1.91799
Ar 0.51531 -0.51335 -1.26267
Ar 0.67988 -0.40484 2.13411
Ar 0.57061 -2.16995 0.38171
Ar -0.18913 0.71056 0.13402
Ar 0.24927 -1.02835 -1.09235
Ar -0.48513 1.12100 0.38571
Ar -1.39440 -0.83243 -1.61987
Ar 0.54764 -0.85438 -0.27153
Ar 1.79361 0.37844 -0.94811
Ar 0.83947 0.11831 0.48429
Ar 1.68037 -0.93150 -0.47622
Ar 1.49944 1.15734 1.19355
Ar 0.15794 -1.53226 0.67155
Ar -1.35490 0.75239 0.96635
Ar 0.74828 1.87360 -0.52267
Ar -1.84824 0.86927 0.29074
Ar -0.40839 1.50100 -0.97514
Ar 0.35099 -1.42034 -1.70557
Ar 0.66346 0.30475 -1.16214
Ar 0.84256 -1.03965 1.14024
Ar 1.79455 -0.97312 1.13511
Ar -0.59841 0.48962 0.48180
Ar 0.78987 -0.64849 2.00800
Ar -1.85121 -0.37522 0.14049
Ar -0.66873 1.61358 0.95761
Ar 1.18487 -1.67847 -1.03046
Ar 0.44252 0.40989 1.56760
Ar 1.58756 1.12942 0.49336
Ar -0.78275 1.18552 -0.73597
Ar 1.53349 -1.31155 0.59145
Ar -0.87768 0.88289 0.28773
Ar 0.68107 0.81503 0.87368
Ar 0.48164 1.70494 0.41074
Ar 2.01330 -0.61879 -0.52183
Ar -1.13609 -1.83652 0.81031
Ar 0.12593 -0.59135 -1.40163
Ar 1.43228 -0.54680 0.52757
Ar -0.30387 0.27978 -1.26014
Ar 1.04689 1.74073 -0.23903
Ar 0.05335 -1.45070 1.59503
Ar -1.08585 0.09470 1.83683
Ar -0.46021 1.26593 -1.25373
Ar -0.01849 -1.87263 -1.17608
Ar -1.47053 0.60093 -1.48059
Ar 1.33925 0.09543 0.89211
Ar -1.77774 0.06068 0.55236
Ar -1.86926 -0.46497 -0.50233
Ar 0.30219 -0.74823 0.02617
Ar 1.26391 0.76693 0.34958
Ar -1.29780 0.94511 0.35545
Ar -0.87084 -0.99220 -1.74231
Ar 2.29954 0.13687 0.26150
Ar -1.70814 0.43350 -0.07090
Ar -1.49595 0.10334 0.80813
Ar -0.23171 -1.79574 -0.03742
Ar -1.62135 1.17978 0.01750
Ar -1.27901 0.02758 1.39282
Ar 1.69013 0.87645 0.24287
Ar -0.73781 -1.10787 0.26496
Ar -0.56745 1.05687 -1.85356
Ar 1.29446 -0.22612 -0.87398
Ar 0.05349 -0.23054 1.77518
Ar 0.35497 -1.86529 -1.28833
Ar 0.42516 -1.53519 0.44100
Ar 1.54886 -0.87642 0.17810
Ar 0.36270 -0.87446 -0.61519
Ar -0.18288 1.76770 1.37860
Ar 1.75229 0.53861 1.04386
Ar 1.32932 -1.15140 -0.74154
Ar -1.16409 1.77916 0.56727
Ar 0.19302 1.11005 -0.87719
Ar -0.41433 -0.42951 1.80173
Ar -2.05161 -0.10990 -0.89042
Ar -0.65212 0.33498 2.00753
Ar -0.52448 -1.64888 -1.31432
Ar -0.01797 -0.30613 -0.71612
Ar 2.25455 0.44855 -0.00809
Ar -0.68351 0.12747 0.50574
Ar 0.13367 -2.09036 0.87481
Ar -1.09508 -0.43960 1.81865
Ar -0.25144 -0.39871 0.00141
Ar -1.21267 0.40004 -0.88343
Ar -1.18878 0.42005 1.17473
Ar -2.18769 -0.35234 -0.16434
Ar 1.41800 0.58927 -1.65362
Ar 0.55386 -1.75070 -0.26798
Ar 0.31957 1.26603 0.32400
Ar 0.28432 -0.56026 1.60487
Ar 2.20801 0.39093 -0.36531
Ar -1.47339 -1.65645 -0.56350
Ar -1.97267 -0.79777 -0.96293
Ar -0.25879 -0.66688 -0.86410
Ar 0.86841 -0.24125 0.63167
Ar 1.47347 -1.37127 -1.13495
Ar 0.92034 -0.29208 -1.99453
Ar -0.32359 0.90259 -0.86224
Ar 0.91487 -1.57464 0.86685
Ar -1.44396 0.49726 0.13025
Ar 0.15625 0.17869 -1.01665
Ar 0.09489 1.98011 0.33966
Ar 0.51902 0.42656 -0.55193
Ar 1.08025 -1.27932 0.20715
Ar -0.68373 0.64273 -0.87046
Ar 0.02658 1.79850 -0.51931
Ar -0.33358 -0.67488 -1.71399
Ar 0.82642 0.09719 -0.23900
Ar 0.01031 1.60471 1.14642
Ar -0.25553 -2.18707 -0.49806
Ar -0.96252 1.16369 1.74009
Ar 0.00717 0.99923 -0.29511
125
Energy =     1 kcal/mol
Ar -0.09745 1.17881 0.54901
Ar 1.81496 -0.26396 -0.93722
Ar -1.62915 0.99261 -0.34335
Ar -1.06904 -0.45799 1.01266
Ar 0.42840 1.20164 -1.50935
Ar 0.67575 -0.24953 1.26131
Ar -0.15003 -0.87146 1.28222
Ar -0.67201 -1.80573 0.72306
Ar 0.81409 1.20849 1.06636
Ar -0.84001 2.00046 0.71937
Ar 1.51808 0.88647 -0.57635
Ar -1.40000 -0.84511 -0.79319
Ar -0.81257 -1.71999 1.11211
Ar 1.15279 1.74693 -0.85495
Ar -0.10464 -0.97692 2.00239
Ar 0.49578 -0.39077 -1.23017
Ar 0.63679 -0.25890 2.14158
Ar 0.69267 -2.17596 0.20791
Ar -0.21184 0.81171 0.33531
Ar 0.35719 -0.98992 -0.95965
Ar -0.46157 1.03686 0.52328
Ar -1.42019 -0.79472 -1.63333
Ar 0.57931 -0.76748 -0.30730
Ar 1.70186 0.40899 -1.00523
Ar 0.88827 0.23578 0.40910
Ar 1.60105 -0.90348 -0.54090
Ar 1.36491 1.18640 1.13168
Ar 0.15602 -1.62816 0.66218
Ar -1.25819 0.74774 1.03631
Ar 0.70782 1.75912 -0.54407
Ar -1.82121 0.78565 0.28833
Ar -0.41043 1.53041 -0.90507
Ar 0.35643 -1.43508 -1.73351
Ar 0.68451 0.31467 -1.17665
Ar 0.70524 -0.95061 1.26823
Ar 1.74124 -0.98855 1.02459
Ar -0.62795 0.53963 0.56214
Ar 0.95398 -0.61470 1.93096
Ar -1.82055 -0.28154 0.23082
Ar -0.67702 1.62598 1.01331
Ar 1.16635 -1.61070 -1.04138
Ar 0.48298 0.38594 1.71135
Ar 1.56978 1.01520 0.71268
Ar -0.78033 1.17274 -0.72156
Ar 1.60899 -1.25586 0.63809
Ar -0.86689 0.95238 0.35336
Ar 0.62676 0.91010 0.88256
Ar 0.49252 1.53528 0.42894
Ar 2.00487 -0.62516 -0.54184
Ar -1.06335 -1.87035 0.73406
Ar 0.08433 -0.56426 -1.36994
Ar 1.38022 -0.55293 0.50234
Ar -0.24860 0.16650 -1.22381
Ar 1.09969 1.83736 -0.23147
Ar -0.04640 -1.46299 1.57653
Ar -1.08201 0.04097 1.77907
Ar -0.56696 1.30141 -1.28680
Ar -0.00830 -1.87924 -1.27027
Ar -1.43359 0.73302 -1.40890
Ar 1.37296 0.06532 0.71021
Ar -1.81005 0.05336 0.55143
Ar -1.81891 -0.48217 -0.44870
Ar 0.26107 -0.67673 0.10794
Ar 1.21897 0.73371 0.30995
Ar -1.28556 1.06471 0.25856
Ar -0.74959 -1.07876 -1.65541
Ar 2.25302 0.09821 0.31386
Ar -1.81328 0.57703 -0.07769
Ar -1.47130 0.13458 0.81303
Ar -0.31829 -1.86911 -0.07335
Ar -1.68111 1.04476 -0.02708
Ar -1.19237 0.05069 1.50259
Ar 1.72899 0.82355 0.36568
Ar -0.77934 -1.02112 0.20142
Ar -0.56254 0.99374 -1.89920
Ar 1.35105 -0.27645 -0.93549
Ar 0.15905 -0.30551 1.81173
Ar 0.36383 -1.88402 -1.27688
Ar 0.46989 -1.53720 0.50011
Ar 1.39337 -0.81034 0.23067
Ar 0.31477 -0.91926 -0.58648
Ar -0.21148 1.85482 1.37603
Ar 1.77518 0.46114 0.97826
Ar 1.44854 -1.20136 -0.79039
Ar -1.28052 1.89975 0.57756
Ar 0.22982 1.05038 -0.92720
Ar -0.42851 -0.31498 1.79623
Ar -1.88727 -0.12799 -0.91373
Ar -0.68214 0.38012 1.99530
Ar -0.58728 -1.57302 -1.32401
Ar 0.02795 -0.20408 -0.73399
Ar 2.26742 0.39074 0.04654
Ar -0.65429 0.18902 0.52321
Ar 0.11310 -2.07259 0.97269
Ar -1.06867 -0.38769 1.91819
Ar -0.23862 -0.41700 0.10515
Ar -1.31520 0.35056 -0.88910
Ar -1.28095 0.34424 1.17399
Ar -2.18082 -0.26395 -0.11816
Ar 1.41445 0.60786 -1.69222
Ar 0.60989 -1.70033 -0.32325
Ar 0.36282 1.25788 0.28678
Ar 0.12519 -0.51816 1.50889
Ar 2.16678 0.35752 -0.41606
Ar -1.56607 -1.60071 -0.57729
Ar -1.93536 -0.82473 -0.82468
Ar -0.22631 -0.55764 -0.76672
Ar 0.88543 -0.23709 0.63025
Ar 1.43750 -1.33165 -1.17428
Ar 0.99357 -0.21876 -2.04000
Ar -0.37651 0.75062 -0.82918
Ar 0.93635 -1.65381 0.88588
Ar -1.48110 0.56306 0.13597
Ar 0.23960 0.29436 -1.04383
Ar 0.13667 2.05182 0.28001
Ar 0.60788 0.43789 -0.51454
Ar 0.93347 -1.31740 0.30163
Ar -0.73217 0.54330 -0.88319
Ar 0.03069 1.79886 -0.46322
Ar -0.29281 -0.67322 -1.75565
Ar 0.83968 0.14209 -0.14216
Ar -0.09374 1.56682 1.13251
Ar -0.27387 -2.24589 -0.46768
Ar -0.81871 1.25354 1.74341
Ar -0.03441 1.11636 -0.24126
125
Energy =     1 kcal/mol
Ar -0.06000 1.20324 0.59853
Ar 1.78402 -0.41268 -0.90050
Ar -1.65058 0.99359 -0.45080
Ar -1.08700 -0.44201 1.11171
Ar 0.49798 1.21235 -1.69157
Ar 0.83892 -0.15861 1.26825
Ar -0.08919 -0.91052 1.23512
Ar -0.70102 -1.73833 0.76947
Ar 0.87375 1.21272 1.09347
Ar -0.92648 1.97846 0.75453
Ar 1.53678 0.92885 -0.60664
Ar -1.30449 -0.85037 -0.88121
Ar -0.78502 -1.67314 1.15181
Ar 1.11378 1.79676 -0.94213
Ar -0.02517 -0.97613 2.08555
Ar 0.47113 -0.26995 -1.19847
Ar 0.59032 -0.10835 2.15021
Ar 0.80829 -2.16356 0.03326
Ar -0.19231 0.89217 0.51013
Ar 0.46926 -0.95064 -0.83632
Ar -0.48592 0.97312 0.68731
Ar -1.38028 -0.71974 -1.57122
Ar 0.60515 -0.68238 -0.34518
Ar 1.60998 0.43910 -1.06189
Ar 0.93869 0.35074 0.33348
Ar 1.52257 -0.87763 -0.60982
Ar 1.22955 1.21374 1.06664
Ar 0.13563 -1.72881 0.66632
Ar -1.16155 0.73653 1.10783
Ar 0.67130 1.64470 -0.56436
Ar -1.79412 0.70156 0.28145
Ar -0.41486 1.55576 -0.83760
Ar 0.36144 -1.44951 -1.75945
Ar 0.70030 0.32429 -1.18909
Ar 0.56766 -0.86112 1.39626
Ar 1.66591 -0.98965 0.90306
Ar -0.65427 0.61678 0.64205
Ar 1.11978 -0.58557 1.85115
Ar -1.79220 -0.18553 0.32021
Ar -0.68452 1.64095 1.06745
Ar 1.15274 -1.53732 -1.05335
Ar 0.52342 0.36142 1.85511
Ar 1.55171 0.89852 0.92953
Ar -0.77509 1.15991 -0.70911
Ar 1.68439 -1.20199 0.68171
Ar -0.85472 1.02181 0.42144
Ar 0.57513 1.00983 0.89357
Ar 0.53119 1.42162 0.48410
Ar 1.99211 -0.63271 -0.56327
Ar -0.98958 -1.90409 0.65990
Ar 0.04594 -0.53595 -1.33677
Ar 1.33139 -0.53768 0.49911
Ar -0.19108 0.05359 -1.18570
Ar 1.14979 1.93355 -0.22700
Ar -0.14629 -1.47425 1.55802
Ar -1.00962 -0.02135 1.88984
Ar -0.67241 1.33841 -1.31529
Ar -0.00108 -1.87828 -1.35977
Ar -1.39640 0.86475 -1.33662
Ar 1.40501 0.03493 0.52757
Ar -1.83744 0.04569 0.55199
Ar -1.77062 -0.50003 -0.39678
Ar 0.22012 -0.60504 0.18708
Ar 1.17682 0.70026 0.27164
Ar -1.27254 1.18016 0.16002
Ar -0.62770 -1.16584 -1.56771
Ar 2.18407 0.06210 0.36011
Ar -1.92304 0.71941 -0.08637
Ar -1.44906 0.16720 0.81839
Ar -0.40453 -1.94407 -0.11088
Ar -1.75031 0.93860 0.04506
Ar -1.17338 0.08336 1.44058
Ar 1.76281 0.77216 0.49335
Ar -0.82074 -0.93433 0.13791
Ar -0.55762 0.93081 -1.94428
Ar 1.41291 -0.32683 -0.99670
Ar 0.26370 -0.37866 1.85036
Ar 0.36336 -1.84023 -1.22355
Ar 0.53577 -1.53576 0.54659
Ar 1.23356 -0.76546 0.26231
Ar 0.26588 -0.96080 -0.54463
Ar -0.23200 1.84959 1.30646
Ar 1.79708 0.38409 0.91151
Ar 1.56903 -1.24960 -0.84161
Ar -1.21605 1.76041 0.51027
Ar 0.26618 0.99045 -0.97774
Ar -0.44157 -0.20058 1.79051
Ar -1.72244 -0.14710 -0.93577
Ar -0.71363 0.42370 1.98213
Ar -0.64964 -1.49613 -1.33449
Ar 0.07055 -0.10679 -0.75371
Ar 2.26056 0.32575 0.09979
Ar -0.62724 0.23035 0.53898
Ar 0.09231 -2.04404 1.06473
Ar -1.04188 -0.33121 2.01595
Ar -0.22410 -0.43620 0.20876
Ar -1.41714 0.30158 -0.89511
Ar -1.37359 0.26769 1.17156
Ar -2.16937 -0.17655 -0.07101
Ar 1.40496 0.62371 -1.72334
Ar 0.66593 -1.64990 -0.37815
Ar 0.37460 1.19325 0.21379
Ar -0.03445 -0.48027 1.40998
Ar 2.12619 0.32441 -0.46233
Ar -1.57999 -1.46201 -0.56182
Ar -1.83251 -0.82341 -0.65506
Ar -0.18897 -0.44333 -0.66931
Ar 0.90450 -0.22993 0.62776
Ar 1.39037 -1.28746 -1.20020
Ar 1.05372 -0.14325 -2.05939
Ar -0.43521 0.59670 -0.79711
Ar 0.95692 -1.73229 0.90373
Ar -1.51383 0.63414 0.14168
Ar 0.32583 0.40915 -1.07234
Ar 0.17907 2.12243 0.22044
Ar 0.69749 0.44757 -0.47633
Ar 0.78513 -1.35637 0.39744
Ar -0.77572 0.44745 -0.89518
Ar 0.03498 1.79852 -0.40722
Ar -0.25127 -0.67176 -1.79560
Ar 0.85212 0.18892 -0.04485
Ar -0.19719 1.52779 1.11583
Ar -0.28356 -2.23098 -0.42092
Ar -0.65301 1.31340 1.70343
Ar -0.07589 1.23358 -0.18691
125
Energy =     1 kcal/mol
Ar -0.01253 1.25675 0.65486
Ar 1.75089 -0.56422 -0.86011
Ar -1.67328 0.99254 -0.55413
Ar -1.10520 -0.42474 1.21125
Ar 0.56749 1.22291 -1.87347
Ar 1.00201 -0.06807 1.27480
Ar -0.02721 -0.94570 1.19045
Ar -0.71290 -1.66128 0.82518
Ar 0.83600 1.21052 1.13688
Ar -0.99107 1.89811 0.76789
Ar 1.55550 0.97072 -0.63721
Ar -1.21078 -0.85543 -0.96888
Ar -0.75682 -1.62758 1.18628
Ar 1.03245 1.77889 -0.99242
Ar 0.05431 -0.94125 2.09480
Ar 0.44317 -0.14931 -1.16651
Ar 0.54217 0.04229 2.15600
Ar 0.90272 -2.09301 -0.14320
Ar -0.11990 0.90993 0.63514
Ar 0.59093 -0.91103 -0.73091
Ar -0.57445 0.95154 0.89573
Ar -1.34022 -0.64486 -1.50854
Ar 0.62706 -0.60050 -0.38600
Ar 1.51791 0.46940 -1.11835
Ar 0.97221 0.43970 0.26321
Ar 1.44724 -0.85429 -0.68292
Ar 1.18941 1.24117 0.97975
Ar 0.11971 -1.82911 0.67170
Ar -1.06559 0.72172 1.17921
Ar 0.63575 1.53084 -0.58480
Ar -1.84533 0.60579 0.33436
Ar -0.42082 1.57897 -0.77046
Ar 0.35875 -1.43486 -1.74847
Ar 0.71181 0.33368 -1.19993
Ar 0.42921 -0.77088 1.52459
Ar 1.57879 -0.89701 0.87614
Ar -0.68372 0.68746 0.71467
Ar 1.28502 -0.55614 1.77114
Ar -1.74882 -0.15027 0.34559
Ar -0.68795 1.65727 1.12085
Ar 1.13673 -1.46672 -1.06174
Ar 0.56404 0.33489 1.99981
Ar 1.53252 0.78226 1.14444
Ar -0.76803 1.14791 -0.69796
Ar 1.77081 -1.24115 0.63007
Ar -0.83896 1.08864 0.49312
Ar 0.52809 1.11428 0.90586
Ar 0.58178 1.32964 0.55831
Ar 1.97450 -0.63918 -0.58866
Ar -0.93297 -1.94605 0.58171
Ar 0.00882 -0.50570 -1.30316
Ar 1.29186 -0.48169 0.53668
Ar -0.13095 -0.06029 -1.14468
Ar 1.18033 1.99749 -0.21974
Ar -0.24616 -1.48485 1.53908
Ar -0.91950 -0.00723 1.97746
Ar -0.77732 1.37553 -1.34182
Ar 0.00847 -1.79707 -1.39058
Ar -1.35899 0.99623 -1.26393
Ar 1.43500 0.00365 0.34493
Ar -1.87744 0.10086 0.61697
Ar -1.72338 -0.51716 -0.34595
Ar 0.17519 -0.53190 0.26576
Ar 1.15457 0.69352 0.23008
Ar -1.25978 1.29271 0.06252
Ar -0.49433 -1.23482 -1.49343
Ar 2.11434 0.02588 0.40696
Ar -2.09289 0.77779 -0.14182
Ar -1.43010 0.19837 0.81511
Ar -0.49061 -2.02083 -0.15012
Ar -1.74419 0.94416 0.14093
Ar -1.15688 0.11638 1.36906
Ar 1.79423 0.72000 0.62519
Ar -0.86197 -0.84744 0.07442
Ar -0.55273 0.86800 -1.98908
Ar 1.47857 -0.37814 -1.05686
Ar 0.36849 -0.45178 1.88772
Ar 0.36067 -1.79614 -1.17184
Ar 0.51715 -1.60948 0.65348
Ar 1.06274 -0.75887 0.25439
Ar 0.21056 -0.99860 -0.48154
Ar -0.25073 1.81919 1.21708
Ar 1.81789 0.30923 0.84278
Ar 1.68500 -1.29410 -0.89550
Ar -1.12794 1.59499 0.43772
Ar 0.30274 0.92875 -1.02855
Ar -0.45566 -0.08615 1.78478
Ar -1.55635 -0.16465 -0.95682
Ar -0.74639 0.46486 1.96823
Ar -0.72284 -1.43689 -1.33166
Ar 0.10870 -0.01406 -0.77576
Ar 2.25332 0.26119 0.15109
Ar -0.60070 0.27480 0.55584
Ar 0.07020 -1.97966 1.13688
Ar -0.99066 -0.33811 2.07259
Ar -0.20516 -0.45705 0.31203
Ar -1.51965 0.25075 -0.90146
Ar -1.46564 0.19375 1.17511
Ar -2.15522 -0.08964 -0.02262
Ar 1.36497 0.62588 -1.71671
Ar 0.72206 -1.59960 -0.43277
Ar 0.37166 1.10518 0.12424
Ar -0.19365 -0.44576 1.31228
Ar 2.08574 0.29128 -0.50697
Ar -1.59369 -1.32216 -0.54639
Ar -1.72740 -0.82215 -0.48485
Ar -0.14693 -0.32390 -0.57372
Ar 0.92693 -0.22288 0.62441
Ar 1.34961 -1.23852 -1.22327
Ar 1.06673 -0.06069 -1.98585
Ar -0.49465 0.44249 -0.76522
Ar 0.97620 -1.80989 0.92019
Ar -1.47852 0.69251 0.10806
Ar 0.41484 0.52385 -1.10129
Ar 0.22147 2.19257 0.16061
Ar 0.78766 0.45585 -0.43651
Ar 0.71781 -1.32312 0.43538
Ar -0.81892 0.35229 -0.90720
Ar 0.03926 1.79688 -0.35096
Ar -0.20910 -0.67034 -1.83377
Ar 0.86283 0.23491 0.04976
Ar -0.30467 1.48456 1.09620
Ar -0.28961 -2.18405 -0.36635
Ar -0.48713 1.37353 1.66271
Ar -0.11644 1.35162 -0.13212
125
Energy =     1 kcal/mol
Ar 0.04298 1.33039 0.71544
Ar 1.69896 -0.71619 -0.83527
Ar -1.69634 0.99088 -0.65606
Ar -1.12362 -0.40530 1.31130
Ar 0.58978 1.13573 -1.90080
Ar 1.16511 0.02215 1.28095
Ar 0.03494 -0.97867 1.14736
Ar -0.72514 -1.58746 0.86844
Ar 0.73027 1.20437 1.19351
Ar -1.05435 1.81057 0.77872
Ar 1.57412 1.01217 -0.66803
Ar -1.11793 -0.85996 -1.05731
Ar -0.72872 -1.58128 1.23116
Ar 0.93823 1.74033 -1.03102
Ar 0.13410 -0.87647 2.03995
Ar 0.41167 -0.02660 -1.13267
Ar 0.47067 0.06097 2.22492
Ar 0.99590 -2.01920 -0.32018
Ar -0.05810 0.90791 0.75863
Ar 0.70954 -0.86879 -0.61958
Ar -0.64755 0.96678 1.12109
Ar -1.29983 -0.57037 -1.44438
Ar 0.64747 -0.52312 -0.43061
Ar 1.42550 0.50002 -1.17520
Ar 0.96355 0.49259 0.30332
Ar 1.37666 -0.82954 -0.75970
Ar 1.21423 1.26997 0.87669
Ar 0.10850 -1.92765 0.68061
Ar -0.96824 0.70596 1.24895
Ar 0.60040 1.41742 -0.60556
Ar -1.90327 0.50752 0.39224
Ar -0.42760 1.60061 -0.70277
Ar 0.35333 -1.41287 -1.72645
Ar 0.72703 0.33804 -1.21194
Ar 0.28903 -0.67893 1.65516
Ar 1.48960 -0.79481 0.85708
Ar -0.72828 0.72113 0.76336
Ar 1.44999 -0.52653 1.69090
Ar -1.70001 -0.13540 0.34805
Ar -0.68317 1.67342 1.17318
Ar 1.10677 -1.41140 -1.05820
Ar 0.62744 0.43888 2.08044
Ar 1.51328 0.66619 1.35733
Ar -0.75978 1.13715 -0.68754
Ar 1.85207 -1.28447 0.56775
Ar -0.82116 1.15281 0.56883
Ar 0.47993 1.21968 0.92584
Ar 0.63364 1.23644 0.62462
Ar 1.96979 -0.64750 -0.59887
Ar -0.87461 -1.98527 0.50604
Ar -0.02848 -0.47162 -1.26863
Ar 1.24725 -0.42397 0.57278
Ar -0.06511 -0.17638 -1.09886
Ar 1.12534 1.91695 -0.19672
Ar -0.34647 -1.49538 1.51902
Ar -0.81502 0.06150 2.04224
Ar -0.88239 1.41222 -1.36745
Ar 0.02402 -1.70414 -1.41046
Ar -1.32110 1.12782 -1.19092
Ar 1.46341 -0.02877 0.16346
Ar -1.92037 0.17952 0.70426
Ar -1.67657 -0.48704 -0.27552
Ar 0.13653 -0.45843 0.34286
Ar 1.22251 0.81299 0.17117
Ar -1.24650 1.40526 -0.03139
Ar -0.33286 -1.26490 -1.44884
Ar 2.04240 -0.01099 0.45650
Ar -2.19883 0.80743 -0.19274
Ar -1.41406 0.22781 0.79848
Ar -0.60698 -2.07690 -0.16041
Ar -1.73717 0.96129 0.23558
Ar -1.13827 0.14740 1.29878
Ar 1.82493 0.66309 0.76021
Ar -0.90311 -0.76045 0.01094
Ar -0.54786 0.80525 -2.03374
Ar 1.54565 -0.43180 -1.11469
Ar 0.47336 -0.52658 1.92348
Ar 0.35238 -1.75163 -1.12399
Ar 0.45768 -1.72169 0.78935
Ar 0.89360 -0.74979 0.24929
Ar 0.15990 -1.03437 -0.42042
Ar -0.27265 1.79873 1.13190
Ar 1.83848 0.23869 0.77066
Ar 1.69335 -1.25829 -0.89801
Ar -1.03814 1.42901 0.36626
Ar 0.33064 0.88182 -1.07618
Ar -0.47354 0.02871 1.78040
Ar -1.38981 -0.17658 -0.97681
Ar -0.78012 0.50174 1.95401
Ar -0.82361 -1.41632 -1.29916
Ar 0.14211 0.07322 -0.80264
Ar 2.24643 0.19827 0.20044
Ar -0.57537 0.32537 0.57508
Ar 0.04833 -1.91237 1.20472
Ar -0.87829 -0.37282 2.00362
Ar -0.19235 -0.47829 0.41659
Ar -1.62204 0.19397 -0.90858
Ar -1.55903 0.12216 1.18859
Ar -2.13897 -0.00296 0.02722
Ar 1.32330 0.62689 -1.70714
Ar 0.77851 -1.54984 -0.48715
Ar 0.36867 1.01891 0.03734
Ar -0.35224 -0.41329 1.21473
Ar 2.04522 0.25810 -0.55109
Ar -1.60793 -1.17889 -0.53046
Ar -1.62086 -0.87057 -0.33517
Ar -0.10109 -0.20014 -0.48172
Ar 0.95440 -0.21836 0.61950
Ar 1.32718 -1.17359 -1.25325
Ar 1.07829 0.02223 -1.90925
Ar -0.54622 0.29012 -0.73013
Ar 0.99115 -1.88144 0.93301
Ar -1.43425 0.74634 0.07117
Ar 0.50763 0.62597 -1.13136
Ar 0.26373 2.26222 0.10037
Ar 0.87810 0.46309 -0.39451
Ar 0.68768 -1.25464 0.44541
Ar -0.86996 0.25510 -0.92258
Ar 0.04264 1.79242 -0.29341
Ar -0.16657 -0.66888 -1.87055
Ar 0.82628 0.19057 0.04974
Ar -0.41869 1.42959 1.07143
Ar -0.26536 -2.15771 -0.34058
Ar -0.32110 1.43440 1.61973
Ar -0.15518 1.47192 -0.07824
125
Energy =     1 kcal/mol
Ar 0.10040 1.39794 0.77911
Ar 1.66042 -0.85803 -0.83205
Ar -1.71919 0.98909 -0.75784
Ar -1.14198 -0.38341 1.41149
Ar 0.57300 0.96917 -1.80049
Ar 1.32849 0.11239 1.28687
Ar 0.09703 -1.01107 1.10501
Ar -0.73738 -1.51561 0.89843
Ar 0.63086 1.19775 1.25297
Ar -1.11604 1.72063 0.78937
Ar 1.59258 1.05330 -0.69898
Ar -1.02617 -0.86308 -1.14786
Ar -0.69890 -1.53412 1.28943
Ar 0.84356 1.70128 -1.06895
Ar 0.21805 -0.81469 1.98963
Ar 0.37710 0.09906 -1.09662
Ar 0.38444 0.03096 2.28860
Ar 1.08813 -1.94333 -0.49786
Ar 0.00451 0.91207 0.88206
Ar 0.82684 -0.82254 -0.50517
Ar -0.71936 0.98629 1.34318
Ar -1.25840 -0.49688 -1.37706
Ar 0.66833 -0.45070 -0.47783
Ar 1.33228 0.53113 -1.23382
Ar 0.96469 0.56357 0.35985
Ar 1.27952 -0.81202 -0.83424
Ar 1.23629 1.29813 0.77430
Ar 0.10271 -2.02270 0.69403
Ar -0.87044 0.68669 1.31571
Ar 0.56516 1.30427 -0.62669
Ar -1.95898 0.40838 0.45109
Ar -0.43474 1.62092 -0.63428
Ar 0.34611 -1.39229 -1.70239
Ar 0.74935 0.32256 -1.22691
Ar 0.14382 -0.58381 1.77561
Ar 1.39924 -0.69084 0.83589
Ar -0.77235 0.75542 0.81260
Ar 1.60026 -0.49196 1.59500
Ar -1.65373 -0.11729 0.35191
Ar -0.67337 1.69211 1.22440
Ar 1.07498 -1.35804 -1.05178
Ar 0.69976 0.58979 2.13618
Ar 1.49405 0.54974 1.56930
Ar -0.75082 1.12773 -0.67745
Ar 1.82883 -1.25505 0.47432
Ar -0.80299 1.21511 0.64774
Ar 0.40670 1.32100 0.97430
Ar 0.70133 1.14824 0.65625
Ar 1.97648 -0.65600 -0.59696
Ar -0.81530 -2.02288 0.43156
Ar -0.06418 -0.49645 -1.27541
Ar 1.23523 -0.39071 0.60541
Ar 0.00570 -0.22835 -1.00671
Ar 1.06629 1.82968 -0.17310
Ar -0.44827 -1.50659 1.49681
Ar -0.70605 0.13130 2.10126
Ar -0.98913 1.44761 -1.39179
Ar 0.04456 -1.60867 -1.42755
Ar -1.28149 1.26039 -1.11815
Ar 1.49121 -0.06150 -0.01666
Ar -1.95819 0.25989 0.78700
Ar -1.62988 -0.44786 -0.20129
Ar 0.14169 -0.38303 0.41032
Ar 1.28971 0.93188 0.11312
Ar -1.23102 1.51741 -0.12028
Ar -0.17187 -1.29742 -1.40354
Ar 1.97151 -0.04738 0.50343
Ar -2.03795 0.73952 -0.22024
Ar -1.40233 0.25535 0.78652
Ar -0.73060 -2.12823 -0.16375
Ar -1.72804 0.97281 0.32854
Ar -1.12492 0.17777 1.22584
Ar 1.85544 0.59923 0.89566
Ar -0.94446 -0.67341 -0.05264
Ar -0.54300 0.74252 -2.07832
Ar 1.61460 -0.49119 -1.16701
Ar 0.57855 -0.60115 1.96424
Ar 0.33929 -1.70598 -1.08063
Ar 0.39375 -1.83687 0.92384
Ar 0.72490 -0.74040 0.24590
Ar 0.11090 -1.06942 -0.35983
Ar -0.30250 1.77188 1.04758
Ar 1.85857 0.17595 0.69840
Ar 1.61324 -1.15730 -0.85784
Ar -0.94949 1.26162 0.29195
Ar 0.29984 0.92836 -1.10398
Ar -0.49764 0.14427 1.78012
Ar -1.22504 -0.18416 -0.99658
Ar -0.81356 0.53173 1.94010
Ar -0.92222 -1.39433 -1.26724
Ar 0.17258 0.15382 -0.83419
Ar 2.23725 0.13389 0.25198
Ar -0.55187 0.38081 0.59675
Ar 0.02705 -1.84417 1.26933
Ar -0.76394 -0.40225 1.93267
Ar -0.22317 -0.50153 0.53078
Ar -1.72155 0.13240 -0.91646
Ar -1.64556 0.05215 1.19793
Ar -2.12062 0.08384 0.07867
Ar 1.28158 0.62691 -1.69558
Ar 0.83598 -1.50132 -0.54159
Ar 0.36570 0.93314 -0.04898
Ar -0.51069 -0.38114 1.11735
Ar 2.00457 0.22485 -0.59501
Ar -1.62388 -1.04694 -0.52737
Ar -1.51207 -0.91597 -0.17628
Ar -0.05302 -0.07380 -0.39364
Ar 0.95038 -0.19162 0.61729
Ar 1.30955 -1.10550 -1.28152
Ar 1.08999 0.10574 -1.83226
Ar -0.59571 0.13778 -0.69449
Ar 0.95326 -1.85517 0.89720
Ar -1.39450 0.80250 0.03710
Ar 0.64954 0.65057 -1.17704
Ar 0.30153 2.29760 0.03877
Ar 0.96830 0.46906 -0.34989
Ar 0.65747 -1.18583 0.45570
Ar -0.92319 0.15690 -0.93857
Ar 0.04354 1.78394 -0.23326
Ar -0.12389 -0.66742 -1.90636
Ar 0.78136 0.12925 0.03025
Ar -0.53077 1.37364 1.04689
Ar -0.23395 -2.13595 -0.32138
Ar -0.15586 1.49599 1.57334
Ar -0.19128 1.59602 -0.02719
125
Energy =     1 kcal/mol
Ar 0.11971 1.47138 0.81568
Ar 1.67491 -0.80039 -0.81558
Ar -1.74158 0.98735 -0.85954
Ar -1.15972 -0.35987 1.51156
Ar 0.55644 0.80220 -1.69929
Ar 1.49269 0.20390 1.29363
Ar 0.15898 -1.04346 1.06277
Ar -0.74911 -1.44414 0.92920
Ar 0.53277 1.19099 1.31246
Ar -1.17589 1.62908 0.80020
Ar 1.61085 1.09421 -0.72994
Ar -0.93604 -0.86488 -1.24042
Ar -0.75716 -1.49304 1.27176
Ar 0.74857 1.66172 -1.10636
Ar 0.31869 -0.79730 1.98633
Ar 0.38525 0.21709 -1.11367
Ar 0.27857 -0.00037 2.23587
Ar 1.17844 -1.86397 -0.67577
Ar 0.06843 0.92111 1.00515
Ar 0.94304 -0.77159 -0.39146
Ar -0.77283 1.04009 1.56427
Ar -1.21459 -0.42359 -1.30460
Ar 0.69136 -0.38345 -0.52523
Ar 1.23690 0.56288 -1.29712
Ar 0.96644 0.63493 0.41407
Ar 1.17277 -0.80046 -0.90928
Ar 1.25645 1.32551 0.67151
Ar 0.10162 -2.11424 0.71243
Ar -0.78993 0.63345 1.37766
Ar 0.52980 1.19097 -0.64832
Ar -2.01430 0.30910 0.49924
Ar -0.44189 1.64018 -0.56480
Ar 0.33436 -1.37404 -1.67407
Ar 0.78055 0.27256 -1.24615
Ar -0.01040 -0.44123 1.84942
Ar 1.31447 -0.60445 0.82994
Ar -0.81505 0.79107 0.86302
Ar 1.69942 -0.44106 1.44684
Ar -1.60912 -0.09715 0.35576
Ar -0.65708 1.70894 1.27067
Ar 1.04765 -1.29981 -1.04647
Ar 0.72168 0.69633 2.04202
Ar 1.46561 0.42903 1.76948
Ar -0.74154 1.11960 -0.66748
Ar 1.78624 -1.21218 0.37535
Ar -0.78350 1.27427 0.72961
Ar 0.36932 1.41110 1.04807
Ar 0.76818 1.06153 0.69048
Ar 1.97775 -0.66736 -0.59907
Ar -0.75572 -2.06026 0.35637
Ar -0.10047 -0.55121 -1.30480
Ar 1.25982 -0.36904 0.61870
Ar 0.08169 -0.24314 -0.88971
Ar 1.00708 1.74225 -0.14955
Ar -0.46139 -1.51215 1.54890
Ar -0.59740 0.20451 2.15600
Ar -1.09827 1.47884 -1.41054
Ar 0.10904 -1.57349 -1.45748
Ar -1.23839 1.39488 -1.04835
Ar 1.51888 -0.09411 -0.19616
Ar -1.99232 0.33751 0.87808
Ar -1.58194 -0.41298 -0.12650
Ar 0.14872 -0.30843 0.47759
Ar 1.35517 1.04899 0.05612
Ar -1.21439 1.62836 -0.20737
Ar -0.04694 -1.26840 -1.34494
Ar 1.94004 -0.15623 0.48330
Ar -1.86587 0.66786 -0.24624
Ar -1.39302 0.28108 0.77862
Ar -0.84515 -2.16353 -0.16586
Ar -1.71584 0.98125 0.41844
Ar -1.11473 0.20830 1.15087
Ar 1.88565 0.52996 1.02904
Ar -0.98694 -0.58663 -0.11642
Ar -0.53813 0.67980 -2.12285
Ar 1.68311 -0.55533 -1.21484
Ar 0.67578 -0.67838 2.00448
Ar 0.32282 -1.65867 -1.04162
Ar 0.32406 -1.95484 1.05677
Ar 0.55592 -0.73355 0.24434
Ar 0.06238 -1.10427 -0.29931
Ar -0.34039 1.73741 0.96641
Ar 1.84319 0.19349 0.69048
Ar 1.48980 -1.24519 -0.83534
Ar -0.86238 1.09564 0.21747
Ar 0.27032 0.97542 -1.13147
Ar -0.52549 0.26134 1.78195
Ar -1.06830 -0.20808 -1.02272
Ar -0.84380 0.55428 1.92634
Ar -1.02073 -1.37027 -1.23500
Ar 0.16012 0.23770 -0.81441
Ar 2.22288 0.06670 0.30824
Ar -0.53045 0.43980 0.62063
Ar 0.00761 -1.77571 1.33066
Ar -0.64927 -0.42878 1.86131
Ar -0.25564 -0.52408 0.64558
Ar -1.81953 0.06979 -0.92448
Ar -1.72870 -0.01559 1.20345
Ar -2.09971 0.17228 0.13343
Ar 1.23923 0.62422 -1.67938
Ar 0.89557 -1.45449 -0.59741
Ar 0.36307 0.84755 -0.13539
Ar -0.66921 -0.34899 1.01980
Ar 1.96371 0.19147 -0.63876
Ar -1.64046 -0.92175 -0.53121
Ar -1.40271 -0.94920 -0.01027
Ar -0.00409 0.05349 -0.30855
Ar 0.90406 -0.13541 0.61795
Ar 1.29030 -1.03960 -1.30100
Ar 1.10213 0.19127 -1.75421
Ar -0.64945 -0.01466 -0.66253
Ar 0.90344 -1.80943 0.85188
Ar -1.35836 0.86087 0.00601
Ar 0.77795 0.70592 -1.21731
Ar 0.32514 2.22503 -0.02553
Ar 1.05783 0.47388 -0.30327
Ar 0.62756 -1.11361 0.46448
Ar -0.96513 0.07283 -0.94730
Ar 0.05345 1.78067 -0.18052
Ar -0.08112 -0.66598 -1.94133
Ar 0.73813 0.07031 0.01063
Ar -0.64232 1.32162 1.02346
Ar -0.20563 -2.11397 -0.30103
Ar 0.00838 1.55785 1.52466
Ar -0.23657 1.71518 0.03070
125
Energy =     1 kcal/mol
Ar 0.08270 1.55740 0.80921
Ar 1.69219 -0.71043 -0.80174
Ar -1.76353 0.98570 -0.96102
Ar -1.17654 -0.33565 1.61140
Ar 0.54143 0.63451 -1.59504
Ar 1.65835 0.29714 1.30133
Ar 0.22090 -1.07591 1.02032
Ar -0.75753 -1.36624 0.92259
Ar 0.43328 1.18269 1.37153
Ar -1.23281 1.53539 0.81105
Ar 1.62891 1.13495 -0.76082
Ar -0.84781 -0.86679 -1.33319
Ar -0.84623 -1.45993 1.26751
Ar 0.65337 1.62164 -1.14343
Ar 0.41583 -0.77994 1.98328
Ar 0.41755 0.33233 -1.15606
Ar 0.17150 -0.03241 2.17766
Ar 1.24096 -1.74050 -0.83799
Ar 0.13402 0.93370 1.12850
Ar 1.05773 -0.71733 -0.28024
Ar -0.82512 1.09279 1.78339
Ar -1.20440 -0.37275 -1.27343
Ar 0.71644 -0.31964 -0.57157
Ar 1.13922 0.58947 -1.35073
Ar 0.96751 0.70839 0.46900
Ar 1.07133 -0.79550 -0.98694
Ar 1.27486 1.35162 0.56824
Ar 0.10363 -2.20026 0.73514
Ar -0.71068 0.57958 1.44070
Ar 0.49385 1.07694 -0.67074
Ar -2.06854 0.20939 0.54401
Ar -0.44884 1.65871 -0.49424
Ar 0.32977 -1.34161 -1.65368
Ar 0.80790 0.22731 -1.26447
Ar -0.16425 -0.29831 1.92298
Ar 1.25252 -0.59699 0.89333
Ar -0.85554 0.82861 0.91376
Ar 1.79644 -0.38918 1.29650
Ar -1.56588 -0.07568 0.35911
Ar -0.63584 1.72072 1.30925
Ar 1.02716 -1.23635 -1.03868
Ar 0.72362 0.78487 1.88872
Ar 1.31131 0.27093 1.81390
Ar -0.73220 1.11264 -0.65746
Ar 1.74354 -1.16916 0.27639
Ar -0.80844 1.32247 0.70858
Ar 0.38500 1.48795 1.16606
Ar 0.83647 0.97429 0.72430
Ar 1.97800 -0.67958 -0.60199
Ar -0.69648 -2.09787 0.27882
Ar -0.13592 -0.60486 -1.33279
Ar 1.25694 -0.26464 0.56245
Ar 0.15859 -0.25433 -0.77367
Ar 0.94775 1.65460 -0.12597
Ar -0.44537 -1.51689 1.62420
Ar -0.49075 0.28089 2.20607
Ar -1.14954 1.42941 -1.34928
Ar 0.21137 -1.62965 -1.49219
Ar -1.19331 1.53002 -0.98222
Ar 1.54667 -0.12646 -0.37581
Ar -2.02413 0.41212 0.97339
Ar -1.53268 -0.37941 -0.05051
Ar 0.15283 -0.23616 0.54595
Ar 1.41987 1.16578 -0.00032
Ar -1.19744 1.73879 -0.29437
Ar 0.03558 -1.16307 -1.26851
Ar 1.91729 -0.27301 0.45153
Ar -1.69276 0.59639 -0.27140
Ar -1.38289 0.30518 0.77465
Ar -0.90430 -2.05979 -0.15511
Ar -1.70230 0.98860 0.50678
Ar -1.10708 0.24007 1.07252
Ar 1.91408 0.45633 1.16015
Ar -1.03165 -0.50047 -0.18004
Ar -0.53103 0.61444 -2.15848
Ar 1.75044 -0.62315 -1.25757
Ar 0.77482 -0.75499 2.04459
Ar 0.30404 -1.60955 -1.00740
Ar 0.24128 -2.02258 1.15963
Ar 0.38775 -0.73111 0.24591
Ar 0.01411 -1.13900 -0.23876
Ar -0.38296 1.69814 0.88953
Ar 1.82401 0.22475 0.69368
Ar 1.35298 -1.36039 -0.81838
Ar -0.77593 0.92991 0.14546
Ar 0.24334 1.02150 -1.15850
Ar -0.55809 0.38193 1.78666
Ar -0.92624 -0.33423 -1.03762
Ar -0.86763 0.57122 1.91006
Ar -1.11871 -1.34322 -1.20277
Ar 0.12872 0.32077 -0.77037
Ar 2.20276 -0.00333 0.36847
Ar -0.51103 0.50119 0.64630
Ar -0.00934 -1.70868 1.38879
Ar -0.53380 -0.45414 1.78956
Ar -0.28523 -0.54451 0.75976
Ar -1.91710 0.00711 -0.93243
Ar -1.81126 -0.08133 1.20681
Ar -2.07689 0.26197 0.18814
Ar 1.19610 0.61872 -1.67463
Ar 0.95911 -1.40855 -0.65788
Ar 0.36086 0.76218 -0.22246
Ar -0.82728 -0.31685 0.92190
Ar 1.92238 0.15774 -0.68215
Ar -1.65593 -0.79580 -0.53258
Ar -1.29353 -0.97986 0.15308
Ar 0.04553 0.18110 -0.22574
Ar 0.86264 -0.08246 0.61794
Ar 1.26765 -0.97511 -1.31000
Ar 1.11494 0.28210 -1.67308
Ar -0.70855 -0.16615 -0.63576
Ar 0.85261 -1.76375 0.80674
Ar -1.32339 0.91984 -0.02364
Ar 0.90178 0.75943 -1.25874
Ar 0.34704 2.14765 -0.09049
Ar 1.14682 0.47803 -0.25567
Ar 0.59646 -1.03612 0.47041
Ar -0.95167 0.10962 -0.92006
Ar 0.07345 1.78313 -0.13489
Ar -0.03833 -0.66459 -1.97542
Ar 0.69565 0.01186 -0.00922
Ar -0.71096 1.28399 1.10501
Ar -0.17813 -2.09196 -0.28043
Ar 0.17339 1.61879 1.47341
Ar -0.29134 1.83020 0.09526
125
Energy =     1 kcal/mol
Ar 0.04462 1.64331 0.80724
Ar 1.68894 -0.62147 -0.80668
Ar -1.78520 0.98412 -1.06234
Ar -1.19278 -0.31119 1.71099
Ar 0.53123 0.46608 -1.48932
Ar 1.68299 0.31516 1.38036
Ar 0.28295 -1.10836 0.97732
Ar -0.76307 -1.28431 0.89652
Ar 0.33326 1.17434 1.43364
Ar -1.28524 1.43932 0.82128
Ar 1.64677 1.17557 -0.79156
Ar -0.76078 -0.86838 -1.42497
Ar -0.93583 -1.43107 1.28468
Ar 0.55792 1.58090 -1.18026
Ar 0.49937 -0.76293 1.97832
Ar 0.45357 0.44688 -1.19438
Ar 0.06124 -0.06632 2.11747
Ar 1.26926 -1.68287 -1.02126
Ar 0.20063 0.94737 1.25157
Ar 1.17183 -0.66214 -0.17023
Ar -0.83394 1.08543 1.90513
Ar -1.23946 -0.34552 -1.29426
Ar 0.74115 -0.25640 -0.61732
Ar 1.14011 0.52607 -1.36665
Ar 0.97926 0.76246 0.49511
Ar 0.97333 -0.79929 -1.06871
Ar 1.29234 1.37638 0.46413
Ar 0.10095 -2.15500 0.71888
Ar -0.63624 0.52914 1.49332
Ar 0.45672 0.96157 -0.69376
Ar -2.12018 0.11074 0.60337
Ar -0.45558 1.67686 -0.42267
Ar 0.33747 -1.28368 -1.64720
Ar 0.83309 0.19075 -1.28512
Ar -0.31942 -0.15538 1.99677
Ar 1.19097 -0.58819 0.95560
Ar -0.89372 0.86886 0.96478
Ar 1.89306 -0.33675 1.14568
Ar -1.52343 -0.05442 0.36085
Ar -0.61297 1.72816 1.34226
Ar 1.01510 -1.16889 -1.02535
Ar 0.72539 0.87355 1.73501
Ar 1.13554 0.10697 1.82966
Ar -0.72291 1.10664 -0.64726
Ar 1.70076 -1.12598 0.17741
Ar -0.84999 1.36859 0.65407
Ar 0.43780 1.52898 1.20808
Ar 0.89487 0.90747 0.78663
Ar 1.99732 -0.68982 -0.59154
Ar -0.63884 -2.13504 0.19745
Ar -0.17093 -0.65976 -1.36080
Ar 1.24839 -0.15815 0.50788
Ar 0.23665 -0.26368 -0.65734
Ar 0.88850 1.56662 -0.10223
Ar -0.42848 -1.51959 1.69330
Ar -0.38559 0.35897 2.24757
Ar -1.18123 1.35508 -1.26037
Ar 0.29953 -1.70781 -1.50541
Ar -1.14780 1.66380 -0.91827
Ar 1.57573 -0.15822 -0.55669
Ar -2.01192 0.47417 1.04288
Ar -1.48119 -0.34514 0.02712
Ar 0.15639 -0.16537 0.61439
Ar 1.48380 1.28284 -0.05596
Ar -1.18019 1.84882 -0.38180
Ar 0.12095 -1.06073 -1.19496
Ar 1.89772 -0.38374 0.41973
Ar -1.51854 0.52586 -0.29536
Ar -1.37127 0.32791 0.77314
Ar -0.95535 -1.94165 -0.13957
Ar -1.68809 0.99550 0.59467
Ar -1.10111 0.27273 0.99120
Ar 1.98943 0.43508 1.16121
Ar -1.07889 -0.41393 -0.24336
Ar -0.51562 0.53934 -2.16044
Ar 1.80949 -0.69033 -1.29023
Ar 0.84361 -0.78895 1.97582
Ar 0.28417 -1.55908 -0.97782
Ar 0.12763 -1.87587 1.14055
Ar 0.22242 -0.73268 0.25118
Ar -0.03393 -1.17354 -0.17805
Ar -0.42580 1.65574 0.81571
Ar 1.80667 0.25432 0.69772
Ar 1.28675 -1.37738 -0.79383
Ar -0.69081 0.76426 0.07388
Ar 0.21831 1.06695 -1.18410
Ar -0.58013 0.49638 1.80770
Ar -0.73772 -0.43727 -0.99697
Ar -0.89577 0.59162 1.89290
Ar -1.21588 -1.31447 -1.17086
Ar 0.10018 0.40219 -0.72821
Ar 2.17675 -0.07659 0.43120
Ar -0.49342 0.56417 0.67312
Ar -0.02529 -1.64433 1.44461
Ar -0.41451 -0.47701 1.71942
Ar -0.31425 -0.56385 0.87369
Ar -2.01444 -0.05559 -0.94029
Ar -1.89379 -0.14559 1.20907
Ar -2.05370 0.35177 0.23258
Ar 1.17228 0.66846 -1.74699
Ar 0.96076 -1.35783 -0.70109
Ar 0.35872 0.67679 -0.31123
Ar -0.98495 -0.28423 0.82402
Ar 1.87949 0.12269 -0.72443
Ar -1.67089 -0.66926 -0.53321
Ar -1.18421 -1.00929 0.31571
Ar 0.09630 0.30946 -0.14483
Ar 0.82698 -0.03250 0.61653
Ar 1.24002 -0.91153 -1.30909
Ar 1.11412 0.31817 -1.59182
Ar -0.77244 -0.31673 -0.61534
Ar 0.80135 -1.71804 0.76170
Ar -1.28866 0.97783 -0.05314
Ar 0.91102 0.89587 -1.25881
Ar 0.36548 2.06562 -0.15577
Ar 1.23555 0.48184 -0.20777
Ar 0.56187 -0.95387 0.47337
Ar -0.93422 0.14369 -0.88965
Ar 0.09170 1.79027 -0.08636
Ar 0.00443 -0.66330 -2.00866
Ar 0.65328 -0.04669 -0.02922
Ar -0.76553 1.25057 1.22207
Ar -0.15107 -2.06986 -0.25959
Ar 0.29777 1.71517 1.49103
Ar -0.34152 1.94432 0.15637
125
Energy =     1 kcal/mol
Ar 0.00277 1.72886 0.80696
Ar 1.68203 -0.53105 -0.81676
Ar -1.75907 0.95669 -1.13443
Ar -1.20875 -0.28658 1.81039
Ar 0.56254 0.29573 -1.51487
Ar 1.65326 0.30534 1.48466
Ar 0.34539 -1.14069 0.93327
Ar -0.77072 -1.20395 0.87503
Ar 0.27118 1.24204 1.54816
Ar -1.33300 1.34133 0.82987
Ar 1.66444 1.21613 -0.82208
Ar -0.67327 -0.86898 -1.51557
Ar -1.02269 -1.40050 1.29753
Ar 0.46194 1.53879 -1.21697
Ar 0.55208 -0.74345 1.97378
Ar 0.45821 0.55996 -1.09764
Ar -0.05569 -0.10121 2.05534
Ar 1.16370 -1.54812 -1.13797
Ar 0.23189 0.89207 1.32018
Ar 1.28600 -0.60664 -0.06055
Ar -0.73165 0.92720 1.77494
Ar -1.27238 -0.31848 -1.31356
Ar 0.76271 -0.19319 -0.66254
Ar 1.15790 0.54238 -1.27613
Ar 1.01463 0.77398 0.45257
Ar 0.87252 -0.79881 -1.15067
Ar 1.30973 1.40018 0.35826
Ar 0.09660 -2.06639 0.69168
Ar -0.58175 0.49273 1.46316
Ar 0.41770 0.84289 -0.71575
Ar -2.16990 0.01525 0.66051
Ar -0.46215 1.69494 -0.35031
Ar 0.34392 -1.22901 -1.63719
Ar 0.85808 0.16569 -1.31214
Ar -0.47036 -0.01274 2.06986
Ar 1.12953 -0.57828 1.01685
Ar -0.92998 0.91234 1.01727
Ar 1.98936 -0.28358 0.99410
Ar -1.48059 -0.03560 0.35962
Ar -0.59024 1.73224 1.37251
Ar 1.01235 -1.10811 -1.00927
Ar 0.72571 0.96306 1.58016
Ar 0.95990 -0.05692 1.84516
Ar -0.71371 1.10128 -0.63681
Ar 1.65782 -1.08240 0.07831
Ar -0.89370 1.41511 0.60453
Ar 0.54091 1.51364 1.15982
Ar 0.92996 0.88371 0.91735
Ar 2.01937 -0.69916 -0.57905
Ar -0.58285 -2.17085 0.11328
Ar -0.20548 -0.71687 -1.38828
Ar 1.23481 -0.05072 0.45541
Ar 0.31812 -0.27216 -0.54073
Ar 0.82956 1.47844 -0.07822
Ar -0.39327 -1.46904 1.69886
Ar -0.27388 0.42818 2.23348
Ar -1.21282 1.28362 -1.16738
Ar 0.37799 -1.72960 -1.47323
Ar -1.10249 1.79496 -0.85596
Ar 1.60848 -0.19006 -0.74042
Ar -1.90125 0.51228 1.06083
Ar -1.42711 -0.30782 0.10665
Ar 0.16017 -0.09530 0.68261
Ar 1.54649 1.40021 -0.11014
Ar -1.16115 1.95574 -0.47070
Ar 0.20643 -0.95898 -1.12351
Ar 1.88208 -0.48895 0.38863
Ar -1.34359 0.45653 -0.31836
Ar -1.38365 0.35434 0.75363
Ar -1.00409 -1.82472 -0.12158
Ar -1.67302 1.00244 0.68283
Ar -1.07111 0.30066 0.92669
Ar 1.87273 0.38605 0.98909
Ar -1.12712 -0.32653 -0.30768
Ar -0.49990 0.46390 -2.16118
Ar 1.75390 -0.71426 -1.23836
Ar 0.91729 -0.80047 1.84227
Ar 0.26427 -1.50733 -0.95119
Ar 0.01044 -1.71828 1.11833
Ar 0.06071 -0.73678 0.25909
Ar -0.08167 -1.20771 -0.11699
Ar -0.46671 1.61173 0.74294
Ar 1.79072 0.28260 0.70260
Ar 1.37504 -1.31000 -0.79032
Ar -0.60629 0.59878 0.00265
Ar 0.19544 1.11196 -1.20802
Ar -0.54738 0.58569 1.90817
Ar -0.55150 -0.53800 -0.95207
Ar -0.95655 0.62718 1.88236
Ar -1.31266 -1.28521 -1.13910
Ar 0.07462 0.48468 -0.68451
Ar 2.14474 -0.15393 0.49488
Ar -0.47732 0.62808 0.70049
Ar -0.04238 -1.58235 1.49753
Ar -0.29374 -0.49609 1.65232
Ar -0.34305 -0.58287 0.98743
Ar -2.11066 -0.11835 -0.94762
Ar -1.97180 -0.20845 1.20781
Ar -2.03039 0.43894 0.28091
Ar 1.15378 0.74229 -1.83132
Ar 0.81216 -1.29592 -0.69426
Ar 0.35398 0.58975 -0.40332
Ar -1.14301 -0.25017 0.72622
Ar 1.83325 0.08438 -0.76490
Ar -1.68529 -0.54213 -0.53333
Ar -1.07471 -1.03843 0.47843
Ar 0.14999 0.44072 -0.06719
Ar 0.79643 0.01559 0.61318
Ar 1.21185 -0.85181 -1.30388
Ar 1.09200 0.23608 -1.60315
Ar -0.83913 -0.46800 -0.59903
Ar 0.74966 -1.67219 0.71675
Ar -1.25397 1.03429 -0.08303
Ar 0.90715 1.03973 -1.25503
Ar 0.38154 1.98055 -0.22070
Ar 1.32410 0.48551 -0.15975
Ar 0.52293 -0.86920 0.47478
Ar -0.91598 0.17465 -0.85848
Ar 0.10921 1.80073 -0.03685
Ar 0.04709 -0.66217 -2.04115
Ar 0.61078 -0.10528 -0.04964
Ar -0.82073 1.21664 1.33542
Ar -0.12455 -2.04770 -0.23831
Ar 0.34486 1.72856 1.48602
Ar -0.38903 2.05707 0.21569