212
 generated by VMD
 CL       -0.336642        0.438525         2.16119
 C         -4.70079         2.13976        -3.83794
 C          -3.9503         1.06341        -2.94605
 C         -2.49725         1.52779        -2.51192
 C         -4.01204        -6.13127         1.80248
 C         -3.61241        -6.02339          3.2834
 C         -2.38893         -5.0356         3.60269
 C           5.4797         6.38159         5.20221
 C          6.12434         5.28699         5.99903
 C          5.56095         3.86285         5.67133
 C          3.12294         3.94753        -3.72182
 C           3.9013         4.61326        -2.50554
 C          3.67597         6.13898        -2.50879
 C         -5.75523         3.22519        0.712104
 C          -4.6978         2.49301         1.61311
 C         -4.48115         1.02906         1.13078
 C          2.37092       -0.007136        -2.84389
 C          3.73469        0.100239        -2.16253
 C          3.87714       -0.763515        -0.93222
 C         -2.84249        -1.15678         4.47311
 C         -4.29718       -0.989931         4.89131
 C         -5.14186        -2.19733         4.86202
 C          4.00602        0.243514         3.59919
 C          3.36498         1.00662         4.74231
 C          4.25208        0.915751         5.98334
 C         0.128905        -1.56929         7.49889
 C         0.335351        -2.69185          6.4884
 C          1.61499        -3.52722          6.6239
 C          4.50513        -4.50594         1.17437
 C           3.0052         -4.9651         1.48125
 C          1.96779        -3.87528         1.93554
 C         0.598019         4.14718         5.29154
 C         0.230124          2.6664         5.49434
 C         -1.34925         2.52627         5.46796
 C         -2.10254         -3.0516        0.534106
 C         -1.47407        -2.64807       -0.805365
 C        -0.208286        -3.29913        -1.36905
 C          1.90447         3.23766           1.454
 C          1.07263         3.96131        0.233183
 C        -0.122914         4.87517        0.621074
 C         -3.54833        -6.21533        -2.69118
 C         -2.57157        -5.89895        -3.92321
 C         -1.60091        -7.13234        -4.09475
 C          5.82302        -2.75896        -4.01193
 C          6.77266        -3.48812        -3.05132
 C          6.39995        -3.29411        -1.53634
 O          -2.6871         2.96146        -2.22184
 O         -3.88516       -0.238857        -3.55048
 O         -4.08946         2.79266        -4.92233
 O         -1.09555         -5.3438         3.03391
 O          -3.2466        -7.21976         3.98049
 O         -3.22762        -7.04998           1.037
 O          5.18639         3.83076         4.21077
 O          5.99454         5.67117         7.40438
 O          3.94034           6.379         5.54101
 O          3.60765         6.85077        -3.73627
 O           5.3434         4.24106        -2.44168
 O          1.59692         3.71565        -3.35529
 O         -5.58858        0.103314         1.38765
 O         -4.97553         2.72619         3.08034
 O         -6.99981         2.24376        0.605204
 O          2.84414       -0.749067        0.061301
 O          3.91986         1.50474        -1.90407
 O          1.20876        0.326276        -1.98678
 O         -5.19421        -2.70299          3.4525
 O         -4.88772        0.175853         4.22883
 O         -2.83585        -1.60039         3.02584
 O          4.50887        -0.45755          6.3919
 O          1.99545         0.39458         5.10061
 O          3.07827        0.355667         2.50559
 O          2.77712        -2.88588         6.02084
 O        -0.122776        -2.29041          5.1677
 O         -1.24685        -1.50565         7.83728
 O          2.45912        -3.05423         3.13172
 O          2.76086        -6.11706         2.50452
 O          4.93483        -3.43874         2.14461
 O         -1.93296         1.47115         6.29233
 O         0.798973         2.22402         6.70462
 O          2.02231         4.18653         5.16467
 O        -0.007194        -4.71873        -1.10064
 O         -1.18157        -1.19763       -0.684172
 O          -1.0305         -2.9077         1.60887
 O        -0.836687         4.08735         1.75544
 O         0.556793         2.96769       -0.718768
 O          3.21715         3.54739         1.71638
 O        -0.840096        -7.26866        -2.81931
 O         -1.77382        -4.67729        -3.80202
 O         -2.91047        -5.75006        -1.38115
 O          7.25064        -2.27814       -0.837476
 O          8.16247        -3.20361        -3.40622
 O          6.12969        -1.29202        -4.08504
 H        -0.719803        -0.58787         1.54428
 H         -2.24138         0.92905        -1.61967
 H         -1.73495         1.31661         -3.2707
 H         -1.84431         3.32507         -1.7146
 H         -3.58597         2.09193        -5.48354
 H         -4.97194          2.9096         -3.1671
 H         -5.69997         1.66969        -4.13646
 H         -4.49366         1.04157        -1.99925
 H         -4.81449       -0.391093        -3.91402
 H         -2.61498        -4.08498         3.15899
 H         -2.39816        -5.05349         4.67275
 H         -1.00331        -6.31876         2.84265
 H         -3.04016        -6.60643        0.149622
 H         -3.91828         -5.1322         1.29232
 H         -5.05468        -6.41618         1.70863
 H         -4.36772         -5.4509         3.83516
 H          -3.8618        -7.95474         3.82434
 H          6.38154         3.19376         5.96164
 H          4.65405         3.54786         6.22108
 H          5.60984          3.0768         3.72615
 H          3.77656         7.37421         5.79422
 H          5.53134         6.19509         4.14053
 H          5.88305         7.33837         5.55816
 H          7.17455         5.36084         5.73575
 H          6.14592          4.8939         7.99888
 H          2.62732         6.31349        -1.95246
 H          4.45933         6.51922        -1.84481
 H          4.28497          6.4223        -4.32141
 H          1.21249         3.11378        -4.14691
 H          3.60078         2.95739        -3.97971
 H          3.15511         4.65166        -4.53147
 H          3.58791         4.40692        -1.48283
 H          5.34896          3.2842        -2.16632
 H         -4.39242         1.32483         0.06925
 H         -3.44023        0.697237         1.48352
 H         -6.38992        0.666073         1.29909
 H         -7.64407         2.76587         1.12179
 H         -5.43224          3.5644       -0.267836
 H         -6.12827         4.08867         1.34683
 H         -3.75099          3.0112         1.44114
 H          -4.5696         1.90433         3.52147
 H          4.16112        -1.68995        -1.42705
 H           4.7763       -0.347138        -0.33703
 H          2.13976       -0.264229       -0.380247
 H          1.28121         1.27305        -1.82426
 H          2.35027        -1.07727        -3.24462
 H          2.34379        0.648095        -3.75477
 H          4.47353       -0.256929        -2.88729
 H          4.35093         1.63351         -1.0308
 H         -4.70621        -2.93247         5.59616
 H         -6.22393        -2.06954         5.15182
 H          -4.2498        -2.82211         3.17479
 H         -1.85083        -1.85898         2.88269
 H         -2.32577        -1.88412         5.17237
 H         -2.30321        -0.28057         4.56581
 H         -4.39678       -0.765002         5.96995
 H         -5.22474       -0.029197         3.31451
 H          5.19101         1.41445         5.86784
 H          3.83188         1.51693         6.87742
 H          3.73305         -1.0835          6.1694
 H           3.3935       -0.084397          1.7146
 H          4.21861       -0.794851         3.75668
 H          5.07059        0.653235         3.40398
 H          3.25189          2.0198         4.40068
 H          1.58208        0.436113         4.19531
 H          1.78056         -3.5594         7.71719
 H          1.50308        -4.55901          6.2778
 H          2.58073        -2.88644         5.03143
 H         -1.32466       -0.833913         8.51857
 H         0.369317       -0.551561         7.10214
 H         0.666351        -1.94157         8.40094
 H        -0.462023        -3.44083         6.76048
 H         0.518901        -1.58738         4.85747
 H          1.67459         -3.2382         1.11845
 H          1.03331         -4.4631         2.22289
 H          3.43935        -3.09108         2.92374
 H           5.8894        -3.44049            2.44
 H          4.55667        -4.08158        0.140255
 H          5.25787        -5.26232         1.30615
 H          2.61109        -5.35901        0.461344
 H          3.28954        -5.91959         3.33953
 H         -1.74209         3.47396         5.89316
 H         -1.76013         2.51542         4.45718
 H         -1.35115         1.57736         7.16536
 H          2.37115         5.07734         4.89208
 H         0.210329         4.64705           6.212
 H          0.08814         4.65632          4.4971
 H         0.558372         2.08577         4.59009
 H          1.50522         1.53174         6.39556
 H        -0.293055        -3.06137        -2.51138
 H         0.694623         -2.7923         -1.0142
 H        -0.537623        -5.31737        -1.71533
 H        -0.893962        -3.78753         1.96539
 H         -2.39225        -4.09658        0.434426
 H         -2.94783        -2.34967        0.707211
 H         -2.27993        -2.73858        -1.55045
 H        -0.216106        -0.99733       -0.889713
 H         0.214425         5.79436        0.946991
 H        -0.689007         4.97931       -0.242825
 H          -1.7788         4.34201         1.71306
 H          3.10136         4.23976         2.43684
 H          1.75648         2.22338         1.23555
 H          1.28575         3.53317         2.33742
 H          1.74324         4.74405       -0.274784
 H         0.833933         3.32233        -1.65035
 H           -2.163        -7.98092        -4.44672
 H        -0.800624        -6.86155        -4.81429
 H        -0.006827        -7.70037        -2.97854
 H         -2.89518        -4.79151        -1.47676
 H         -3.76369        -7.26628        -2.52015
 H         -4.47956        -5.65649        -2.73632
 H         -3.25336        -5.84917        -4.80816
 H         -2.39697        -3.89496        -3.72506
 H          5.37429        -2.96974        -1.35906
 H          6.51607        -4.25371        -1.05384
 H          6.61852        -1.73334       -0.352191
 H          5.45285       -0.954057        -4.77772
 H          4.81893         -2.9876        -3.60902
 H           5.8691        -3.24183        -4.97328
 H          6.70857        -4.58233         -3.2104
 H          8.36643        -2.25699        -3.11761
212
 generated by VMD
 CL       -0.355823        0.518679         2.17798
 C         -4.79056         2.11013        -3.77907
 C         -3.98206         1.06966        -2.92479
 C         -2.59296         1.44241        -2.45512
 C         -4.03077        -6.17085         1.82592
 C         -3.58308        -5.98137         3.30701
 C         -2.44596        -5.06533         3.53207
 C          5.44784         6.40855         5.21603
 C          6.09149         5.20086         5.98206
 C          5.56389         3.82007         5.65815
 C          3.04257         4.00536         -3.6673
 C          3.77682          4.5917        -2.46924
 C          3.68394         6.17027        -2.46531
 C         -5.81725         3.22948        0.798939
 C         -4.65612         2.55856         1.58297
 C         -4.51455         1.12495         1.01863
 C          2.35327        -0.08121        -2.84241
 C          3.64868        0.134154        -2.11368
 C          3.92186       -0.770528       -0.888023
 C         -2.85053        -1.06994          4.4725
 C         -4.30362       -0.890778           4.965
 C         -5.20101        -2.19546         4.77102
 C          3.98342        0.230215         3.56625
 C          3.39847        0.909598         4.81133
 C          4.27375        0.904794         6.02126
 C         0.255606        -1.56147         7.48471
 C         0.305341        -2.72628         6.51106
 C          1.63158        -3.51176          6.5847
 C          4.46874        -4.46731         1.27629
 C          2.98667        -4.96993         1.56985
 C          2.02297         -3.8476         1.92771
 C         0.552255         4.25324         5.37785
 C         0.145338         2.75812         5.49297
 C         -1.34446         2.62818         5.55929
 C         -1.90296        -3.06735         0.59207
 C         -1.47186        -2.63079       -0.795941
 C        -0.207174        -3.29795        -1.40786
 C          1.73701         3.23404         1.45897
 C          1.13389         3.99114        0.267709
 C        -0.108634         4.74801        0.637994
 C         -3.52543        -6.16707        -2.63835
 C         -2.61058        -5.92063        -3.87835
 C         -1.62776         -7.0159        -4.09796
 C          5.77088        -2.79193        -4.00457
 C          6.74839        -3.53014        -3.03961
 C          6.38807        -3.31636        -1.47426
 O         -2.65026         2.85559        -2.16245
 O         -3.79569       -0.241691        -3.55406
 O         -3.99768         2.66465        -4.99865
 O         -1.07156        -5.41658          2.9915
 O         -3.24958        -7.29523         4.00064
 O         -3.14583        -7.06093        0.951802
 O          5.18114         3.94599         4.26802
 O          5.97947         5.62193         7.41046
 O          3.97253         6.44149         5.49689
 O           3.5665         6.85259        -3.81106
 O           5.2528         4.21301          -2.571
 O          1.66206         3.75084        -3.31976
 O         -5.56808        0.184417         1.43831
 O         -4.90297         2.68492         3.05991
 O         -7.01679         2.30273        0.655217
 O          2.80434       -0.767815        0.107771
 O          3.91535         1.61314        -1.81226
 O          1.14565        0.211049        -2.05616
 O         -5.17864        -2.73471         3.43871
 O         -4.86855        0.244043         4.19151
 O         -2.83544        -1.57932         3.08067
 O          4.59346       -0.472759         6.38944
 O          1.98101        0.292379         5.04025
 O          3.03859        0.377312         2.46814
 O          2.78808        -2.90598         5.93564
 O        -0.114474        -2.29645         5.13779
 O         -1.26519        -1.60678         7.79079
 O          2.40832          -3.145         3.12786
 O          2.79235        -6.08829         2.47888
 O          4.98485        -3.37779         2.08537
 O         -1.83817         1.44383         6.29415
 O         0.810393         2.19913         6.79327
 O          2.03064         4.19867          5.1584
 O         0.073882        -4.68779        -1.11042
 O         -1.15181        -1.19309       -0.643955
 O         -1.11009        -2.91618         1.75024
 O         -0.83264         4.17211         1.68368
 O         0.638993         2.91382       -0.691677
 O          3.29118         3.47235         1.67439
 O        -0.815461        -7.26782        -2.85489
 O         -1.77424         -4.6586        -3.91421
 O         -2.89036        -5.69956        -1.38745
 O          7.24999        -2.21958       -0.923169
 O          8.15216         -3.1642        -3.41927
 O          6.17565         -1.3489        -4.16912
 H        -0.621319       -0.571469         1.61883
 H         -2.17894        0.848753        -1.57794
 H         -1.90307         1.25445        -3.26418
 H         -1.76846         3.23755        -2.41896
 H         -3.35447         1.93327        -5.33375
 H         -5.10837         3.01593        -3.18851
 H         -5.70184         1.56332        -4.18748
 H         -4.61416         0.92166        -2.08566
 H         -4.70341       -0.562337        -3.87288
 H         -2.72531        -4.04257         3.20194
 H         -2.25714        -4.83909         4.58316
 H        -0.973224        -6.40937         3.03642
 H         -3.18404         -6.6499        0.048545
 H         -4.06216        -5.13506          1.4404
 H         -5.07306         -6.5424         1.79115
 H         -4.54329        -5.59085         3.73379
 H          -4.0919        -7.85848         3.91123
 H          6.28228         3.08319         5.68739
 H          4.74279         3.57118         6.35582
 H          5.52863         3.08716         3.86377
 H          3.70078          7.3159         5.79183
 H          5.62561         6.33805         4.15512
 H          5.92802         7.33412         5.54004
 H          7.11991         5.07881         5.75698
 H           5.9881         4.84637         8.03733
 H          2.67268          6.5096        -1.97109
 H          4.50454         6.62614        -1.93072
 H          4.38663         6.55226        -4.34676
 H          1.28059         3.39472        -4.16338
 H          3.48207         3.08219        -4.05816
 H          2.99398         4.70223        -4.52153
 H          3.29489         4.10803         -1.6639
 H          5.19121         3.21686        -2.51794
 H         -4.42855         1.01634       -0.101799
 H         -3.65159        0.526744         1.41805
 H         -6.41061          0.7615         1.33697
 H         -7.93885         2.67158        0.921468
 H         -5.44158         3.30079       -0.203558
 H         -6.15233         4.23358         1.16304
 H         -3.66977         3.05704         1.34389
 H         -5.00022         1.82274         3.58798
 H          3.85073        -1.86898        -1.07179
 H          4.94052       -0.612453       -0.470027
 H          2.01947       -0.115505       -0.151221
 H           1.1504         1.16938        -1.65865
 H          2.14178        -1.19173        -3.13194
 H          2.36009        0.608089        -3.78896
 H          4.44344       -0.170978        -2.81202
 H          4.64806         1.65584        -1.02326
 H         -4.87204        -3.01804         5.46072
 H         -6.24601        -1.90125         5.04953
 H         -4.27495        -2.33471         3.09482
 H         -2.05529        -2.11199           2.808
 H         -2.25632        -1.77115         5.10874
 H          -2.4382        -0.09713         4.50722
 H         -4.18286       -0.529722         5.98279
 H         -4.89346       -0.205203         3.29354
 H          5.24684         1.25848         5.68416
 H          3.78669         1.48237         6.90935
 H          3.72742       -0.942165         6.49026
 H          3.22235       -0.326628         1.68958
 H          4.17181       -0.794912         3.87612
 H          4.97602        0.743149         3.28464
 H          3.16323         1.95822         4.63895
 H          1.53996        0.233631         4.14793
 H          1.93253        -3.75867         7.62551
 H          1.43019        -4.49196         6.10006
 H          2.55376        -2.84057         4.98983
 H          -1.5071        -1.13424         8.70101
 H         0.692677       -0.592816         7.08933
 H         0.853127        -1.67542         8.38492
 H        -0.507013        -3.43745         6.86879
 H         0.241643         -1.3748         5.00897
 H          1.92648        -3.10618         1.11902
 H          1.05388         -4.2838         2.22193
 H          3.38229        -3.00243         3.11451
 H          5.96655         -3.4452         2.32238
 H          4.32939        -4.05863        0.280449
 H          5.02393        -5.42663         1.22713
 H          2.67359        -5.47631        0.584319
 H          3.10947        -5.77325         3.39689
 H         -1.84198         3.55565         5.89947
 H          -1.6555         2.39314         4.53905
 H         -1.54259         1.46149         7.21806
 H          2.33217          5.0915         4.87116
 H         0.416875         4.79492         6.28793
 H          0.07388         4.69515           4.518
 H          0.63798         2.18002         4.71461
 H          1.44009         1.54372          6.3961
 H        -0.114865        -3.11086         -2.4872
 H         0.589598        -2.80105       -0.792735
 H        -0.668022        -5.21069        -1.53074
 H           -0.731        -3.87282         1.99293
 H         -2.33735        -4.04727        0.580379
 H         -2.75897        -2.42168        0.791347
 H         -2.37463        -2.71791         -1.3817
 H        -0.272784        -1.06851        -1.10822
 H         0.128107         5.75147        0.920471
 H        -0.766437         4.91487       -0.153291
 H         -1.78265         4.57772         1.55085
 H          3.53363         4.20207         2.28125
 H          1.79776         2.16372         1.31629
 H          1.25493         3.35496         2.43242
 H          1.91767         4.54622        -0.32576
 H         0.888343         3.17959        -1.60056
 H          -2.1669        -7.95822        -4.24507
 H         -1.05339        -6.73777        -5.03824
 H          0.11912        -7.23573        -3.25977
 H         -3.04727        -4.68905        -1.32262
 H         -3.60689        -7.27204        -2.57698
 H         -4.57304        -5.79331        -2.79428
 H         -3.23397         -5.8833        -4.82024
 H         -2.47477        -3.95738        -3.96616
 H          5.30269        -3.10045        -1.51789
 H          6.57275          -4.212        -0.84308
 H          6.92145        -1.85127       -0.018806
 H          5.50874       -0.948228        -4.80837
 H          4.73064        -2.78303        -3.70625
 H          5.83821        -3.19719        -5.00403
 H          6.59547        -4.55656        -3.34101
 H          8.17764        -2.17132        -3.33191
212
 generated by VMD
 CL        -0.37848        0.599469         2.19541
 C         -4.71429         2.03321        -3.85903
 C         -4.09456         1.04257        -2.85159
 C         -2.67674         1.41515         -2.4489
 C         -4.01522        -6.23457         1.80456
 C         -3.55668          -6.094         3.29914
 C         -2.40446        -5.04801         3.55787
 C          5.42012         6.38718         5.26701
 C          6.13308         5.25937         6.02006
 C          5.55206         3.83535         5.65494
 C          3.00063         4.07412         -3.7161
 C          3.69469         4.65633        -2.51556
 C          3.66212         6.19714         -2.4544
 C         -5.87779          3.1882        0.805787
 C         -4.71171         2.58421         1.52902
 C         -4.44667         1.14837        0.998259
 C           2.3249       -0.067123        -2.80158
 C          3.73709        0.173351        -2.05224
 C          3.84438        -0.82446       -0.868574
 C         -2.84716       -0.997599         4.50887
 C         -4.27066        -0.85939          4.9763
 C         -5.22736        -2.11604         4.81164
 C          3.97494         0.20661         3.54083
 C          3.29446        0.910366         4.76277
 C          4.26852        0.815601         6.01167
 C         0.180652        -1.60482         7.50894
 C         0.323531        -2.75881         6.52764
 C          1.60498        -3.57869         6.48863
 C          4.36199        -4.49883         1.30041
 C          2.97543        -4.94971         1.61266
 C           2.0427        -3.80447         1.88239
 C         0.623283         4.29687         5.44169
 C         0.149885         2.89824          5.6158
 C         -1.43104         2.69679         5.60985
 C         -1.95647        -3.13336        0.633422
 C         -1.37794        -2.60025       -0.768233
 C        -0.116518        -3.26548        -1.36715
 C          1.76767         3.19018         1.51142
 C          1.16071         3.88098        0.295382
 C        -0.046829         4.83966        0.590649
 C         -3.44167        -6.14938        -2.62475
 C         -2.64968        -5.87277        -3.91463
 C         -1.64692        -6.99594        -4.09797
 C          5.76023        -2.76063        -4.02379
 C          6.69219        -3.47128        -3.01687
 C          6.47658        -3.30021        -1.51612
 O         -2.56343          2.8186        -2.07499
 O         -3.73971       -0.257955        -3.61697
 O         -3.98537         2.51444         -4.9747
 O         -1.11649        -5.47984         2.94606
 O         -3.28812        -7.32673         3.98975
 O         -3.13931        -7.01121        0.949683
 O          5.11841         3.98273         4.26433
 O          5.97142         5.56703         7.44591
 O          4.00284         6.51677         5.41951
 O          3.55927          6.8142        -3.82628
 O          5.11217         4.20067        -2.69579
 O          1.64952         3.78148        -3.29569
 O         -5.59503        0.245562          1.4984
 O         -4.84128         2.65759         3.00012
 O         -7.02006         2.35691        0.699503
 O            2.785       -0.781917        0.190451
 O           3.8878         1.63958        -1.71457
 O          1.05087        0.116755        -2.08977
 O         -5.14411        -2.75536         3.36845
 O         -4.89597        0.260108          4.1445
 O         -2.90001        -1.52963         3.13535
 O          4.63322       -0.551128          6.4374
 O          2.06311        0.199184         5.01874
 O          3.00518        0.408136         2.47717
 O          2.82832        -2.89637         5.85354
 O        -0.061885        -2.34177         5.14008
 O         -1.23269        -1.63881         7.77709
 O          2.41751        -3.20029         3.19397
 O           2.9034        -6.07864         2.52413
 O          4.98536        -3.32616         2.05391
 O         -1.75424         1.40269         6.30425
 O         0.774182         2.22103         6.83967
 O          2.02615         4.21508           5.123
 O         0.101977        -4.69183         -1.1119
 O         -1.11945        -1.15836       -0.632237
 O         -1.05122        -2.92519         1.87727
 O        -0.885181         4.21397         1.71028
 O         0.762655         2.81225       -0.708839
 O          3.28973         3.41658         1.60112
 O        -0.773481        -7.24873         -2.9486
 O         -1.85916        -4.66178        -3.98551
 O         -2.89816        -5.62857        -1.38823
 O           7.2192        -2.17556        -1.03282
 O          8.08499        -3.17101        -3.38684
 O           6.2188        -1.43089        -4.19239
 H        -0.466568       -0.536457         1.61516
 H          -2.4732        0.764421        -1.55843
 H         -2.01286         1.20538        -3.27608
 H         -1.86618         3.29669        -2.55696
 H         -3.43461          1.8115        -5.36501
 H         -4.92952         2.97919        -3.19624
 H         -5.70234         1.59444        -4.19648
 H         -4.78321        0.847164        -2.04287
 H         -4.62859       -0.659069        -3.87914
 H         -2.66181        -4.14667         2.96524
 H         -2.33705        -4.93441          4.6743
 H         -1.09711        -6.49448         2.97579
 H         -3.04332        -6.53552        0.047283
 H         -4.23175        -5.29045         1.33368
 H         -4.95227        -6.85807         1.90789
 H         -4.36628        -5.52752         3.85856
 H         -3.90771        -8.10519          3.7122
 H          6.30309         3.13723         5.93885
 H           4.6044         3.68604         6.15767
 H          5.72339          3.4943         3.62607
 H          3.85475         7.46365         5.72461
 H          5.66376         6.32015           4.193
 H          5.89115         7.30143         5.65858
 H          7.16297         5.46629         5.71679
 H          5.83077          4.7274          7.9967
 H          2.80712         6.51569        -1.86746
 H          4.58699         6.49883         -1.9262
 H          4.40472         6.56136        -4.34194
 H          1.20459         3.27179         -3.9923
 H          3.53417         3.16401        -3.83861
 H          3.13352         4.70807        -4.63355
 H          3.44002         4.27205        -1.53903
 H          5.05941         3.20648        -2.80578
 H         -4.48233         1.27603       -0.111905
 H         -3.48978        0.830705         1.30921
 H         -6.42785        0.759697         1.19344
 H         -7.78102         2.89139         1.16937
 H         -5.53471         3.50704       -0.194552
 H         -6.15878         4.13634         1.24461
 H         -3.87271         3.28749         1.25137
 H         -4.66551         1.72723         3.34866
 H          3.97963        -1.78398        -1.46399
 H            4.691       -0.582894       -0.297139
 H          2.20853       -0.072727       -0.167406
 H          1.10928         1.06114        -1.61652
 H          2.46557        -1.16128        -3.00361
 H          2.25937        0.430211        -3.83711
 H          4.51214       -0.096094        -2.80579
 H          4.55921         1.71755       -0.961465
 H         -4.91123        -2.87983         5.54789
 H          -6.2585        -1.78954         4.90487
 H         -4.47239        -2.24613         2.80411
 H         -2.12314        -2.16774         3.09749
 H         -2.29216         -1.6532         5.14956
 H         -2.28171       -0.001848         4.45443
 H         -4.38702        -0.55568         6.01603
 H         -5.20203        0.027514         3.19716
 H          5.22368         1.38023         5.76723
 H           3.8227         1.37033         6.90075
 H          3.82646        -1.17674         6.39437
 H          2.89821       -0.418383         1.90221
 H          4.17251       -0.897312         3.61897
 H          4.89399        0.789232         3.32589
 H          3.14774         1.99146         4.46758
 H          1.83596        0.023598         4.03141
 H           1.9254        -3.84126         7.50726
 H          1.41517        -4.48543         5.87172
 H          2.47755        -2.84793         4.88389
 H         -1.41557        -1.09833         8.55005
 H         0.357206       -0.635296         7.01624
 H         0.742283        -1.81465         8.40291
 H         -0.44886        -3.51366         6.83916
 H         0.154239        -1.37848          5.0722
 H           2.1688        -3.04999         1.05855
 H           1.0603        -4.16973         1.87924
 H          3.33064        -2.80258         2.92614
 H          5.85689         -3.5471         2.52196
 H          4.41612        -4.22176         0.26449
 H          5.18565        -5.26754         1.34133
 H          2.59228        -5.29998        0.642223
 H          2.83871        -5.72573         3.44146
 H         -1.97072         3.51042         6.12107
 H         -1.80353         2.59651         4.58218
 H         -1.05722         1.38775          7.0159
 H          2.45455         5.13386         5.21175
 H         0.326868         4.87954         6.28053
 H        -0.001335         4.69665          4.6015
 H         0.494479         2.36148         4.75426
 H            1.099         1.36274         6.48425
 H        -0.162431        -3.10044        -2.39994
 H         0.822537         -2.7242         -1.0654
 H        -0.609051        -5.21988        -1.56691
 H        -0.642523        -3.82582         2.12182
 H         -2.10966        -4.21037        0.568015
 H         -2.86163        -2.56072        0.846382
 H         -2.18825        -2.75763        -1.50542
 H        -0.535819       -0.786784        -1.32728
 H         0.358842         5.85273        0.862305
 H        -0.548907          4.7358        -0.40481
 H         -1.83369         4.53545         1.53616
 H          3.24322         4.37518         1.95395
 H          1.52772         2.09726          1.3236
 H          1.33949         3.58599         2.40906
 H          1.93203         4.57144       -0.069613
 H         0.965182         3.30247        -1.55564
 H         -2.22374        -7.93984        -4.33844
 H        -0.947252        -6.80621        -4.93437
 H         0.222582         -7.0593        -3.04694
 H         -3.21954        -4.69093        -1.36408
 H         -3.51424        -7.24756        -2.43409
 H         -4.45016        -5.71017        -2.73312
 H         -3.44047         -5.9839        -4.69852
 H          -2.3751        -3.82396        -4.17811
 H          5.41374        -3.10831        -1.24638
 H          6.74655        -4.29906        -1.00808
 H            7.054        -2.24526       -0.053756
 H          5.83656       -0.998084        -5.01694
 H          4.75379        -2.86078        -3.62734
 H          5.81641        -3.37888        -4.94248
 H          6.60133        -4.54095        -3.14734
 H          8.32298        -2.21194        -3.22193
212
 generated by VMD
 CL       -0.407466         0.67303         2.21283
 C         -4.76448         1.97882        -3.83876
 C         -4.09539        0.937915        -2.98745
 C          -2.7109         1.41488        -2.37495
 C         -4.06138        -6.33421         1.86012
 C         -3.56663        -6.08431         3.27587
 C          -2.3899        -5.17904         3.53568
 C          5.52087         6.47741         5.27813
 C          6.10393         5.31941         6.07361
 C          5.52428         4.01337           5.654
 C          2.95426         4.01789        -3.73259
 C          3.71688         4.72658        -2.57455
 C          3.67565          6.2288        -2.51157
 C         -5.91966         3.30835        0.779266
 C         -4.66764         2.59837         1.45736
 C         -4.46145         1.17944          1.0341
 C          2.41644       -0.078984        -2.75814
 C          3.66926         0.24079        -1.97397
 C          3.84323       -0.784334       -0.831346
 C         -2.86647       -0.974386          4.5695
 C         -4.36647       -0.805734          4.8678
 C         -5.16401        -2.05499         4.72052
 C          3.97991        0.277432            3.52
 C          3.41091        0.816013         4.74074
 C          4.18454        0.754076         5.98924
 C          0.12584        -1.68978         7.49018
 C         0.362808         -2.8255          6.4679
 C          1.67823        -3.62549          6.3765
 C          4.49632        -4.50273         1.26238
 C          2.97035        -4.97715         1.54323
 C          2.07055        -3.74951         1.88363
 C         0.638725         4.37541         5.49444
 C         0.086862          2.9069         5.68074
 C         -1.45429         2.73944         5.72939
 C          -1.8732         -3.1558        0.650148
 C         -1.28215        -2.58894       -0.632978
 C         0.011271         -3.2477        -1.35391
 C          1.83123         3.15269         1.58243
 C          1.16562         3.80042        0.299953
 C         -6.7e-05         4.76276        0.562055
 C         -3.47444        -6.15571        -2.62295
 C         -2.63732        -5.89219        -3.95954
 C         -1.61263          -7.031        -4.20371
 C          5.74569        -2.80528        -4.00204
 C          6.66752        -3.47159        -3.05069
 C          6.50445        -3.30897        -1.54202
 O         -2.50628         2.82804          -1.945
 O         -3.75787        -0.26262        -3.65633
 O         -3.94118          2.3722        -4.97521
 O         -1.15672        -5.53684         2.92874
 O         -3.29849        -7.38896         3.97798
 O         -3.12622        -6.96323        0.947231
 O          5.10137         3.92953         4.19202
 O          5.98095         5.53499         7.52064
 O          3.94666         6.58982         5.36668
 O          3.57216          6.8036        -3.77395
 O          5.05573         4.22061        -2.80564
 O          1.52528         3.83579        -3.30877
 O         -5.52766        0.299051         1.50498
 O         -4.79869         2.67665         2.93915
 O         -7.08051         2.33116         0.71842
 O          2.76292       -0.823174        0.166364
 O          3.84896         1.60319        -1.62363
 O          1.01993         0.07529        -2.08748
 O         -5.17271        -2.75493         3.40675
 O         -4.95031        0.275708         4.13481
 O         -2.91642        -1.46291          3.1756
 O          4.61067       -0.632009         6.42151
 O          2.10235        0.115867          5.0105
 O          2.94029        0.434311         2.50903
 O           2.8101        -2.91642          5.8211
 O        -0.017087        -2.41017         5.14848
 O         -1.30435        -1.64823         7.83406
 O          2.43373        -3.21226         3.22694
 O          2.98841        -6.08007         2.59585
 O          4.89859        -3.28638         2.00748
 O         -1.65737         1.39119         6.28622
 O         0.684774         2.26358          6.8632
 O          2.05444         4.26552         5.09699
 O         0.120005        -4.69643        -1.09047
 O          -1.1253        -1.11318        -0.58715
 O         -1.00662        -2.91305         1.87069
 O        -0.881383         4.30142         1.71014
 O         0.917144         2.75837        -0.72231
 O          3.19328         3.42958          1.5477
 O        -0.774732        -7.23427        -2.97336
 O         -1.93245        -4.61824        -4.04745
 O         -2.87675        -5.50757        -1.35678
 O          7.21405        -2.10226         -1.0871
 O          8.05739        -3.22339        -3.34801
 O           6.2882        -1.44501        -4.19742
 H        -0.438712       -0.470925         1.57296
 H         -2.35363        0.792976        -1.57251
 H         -2.03043         1.16716        -3.23048
 H         -1.69798         3.13816        -2.51902
 H         -3.41753         1.56796        -5.29982
 H         -4.98875         2.93676        -3.26384
 H         -5.75641         1.61058        -4.18097
 H         -4.82088         0.68637        -2.14885
 H         -4.63305       -0.668724        -3.97183
 H         -2.72022        -4.18268         3.22681
 H         -2.17483        -5.02599         4.64108
 H         -1.09642        -6.50314         2.63135
 H         -2.94219        -6.32681        0.161297
 H         -4.32508         -5.3409         1.49471
 H          -5.0395        -6.88521         1.85289
 H         -4.50307        -5.64913         3.69564
 H         -3.61819        -8.05809         3.35741
 H          6.22661         3.11806          5.6688
 H          4.71223         3.76096         6.31708
 H          5.99858         3.78311         3.78941
 H          3.75378         7.57582         5.63545
 H          5.71778         6.24618         4.19666
 H          5.92122         7.44717         5.62154
 H          7.21137         5.18935         5.87683
 H          5.77308         4.71001         8.03531
 H          2.83395         6.58534        -2.03618
 H          4.59658         6.61105        -1.97576
 H          4.33419         6.41605         -4.2705
 H          1.19083         3.08734        -3.98162
 H          3.32726         3.07905        -4.09023
 H          2.86647         4.71329          -4.581
 H          3.22161         4.32424        -1.63575
 H          4.89835         3.25478        -2.58111
 H          -4.4418         1.13028       -0.052895
 H         -3.56696        0.729303         1.41922
 H         -6.35298        0.811523          1.3342
 H         -7.96103         2.66133         1.17058
 H         -5.66934         3.61753       -0.271111
 H         -6.17307         4.09508         1.43179
 H          -3.7586         3.13014         1.15781
 H         -4.35368         1.90982         3.39346
 H          3.69491        -1.83018        -1.19574
 H          4.82529       -0.776852       -0.425468
 H          1.97024       -0.285571       -0.003897
 H         0.882108        0.974181        -1.75576
 H          2.37367        -1.07428        -3.06159
 H          2.40995        0.568045         -3.6321
 H          4.49223       -0.051397        -2.67927
 H          4.28892         1.71956       -0.784595
 H         -4.94418        -2.80291         5.49262
 H         -6.18487        -1.80567         4.97255
 H         -4.25964        -2.37505         3.13371
 H         -2.03122        -1.91183         2.78544
 H         -2.34984        -1.63252         5.23854
 H           -2.365        0.088253         4.66318
 H         -4.41152       -0.526317         5.93586
 H         -5.41751        -0.13912         3.36197
 H          5.19185         1.26226         5.80271
 H          3.69528         1.23315         6.81292
 H          3.92386        -1.31306         6.06807
 H          3.04238       -0.231297         1.80931
 H          4.23175       -0.820334          3.7819
 H            4.932        0.639521         3.22406
 H          3.15855         1.91376         4.61089
 H          1.62863         -0.0845         4.14995
 H          1.95947         -4.0246         7.36105
 H           1.4289        -4.51574         5.76126
 H          2.60737        -2.80705         4.82719
 H         -1.55722       -0.766447          8.2298
 H         0.509663        -0.75806         7.10963
 H         0.684353        -1.91753         8.41183
 H        -0.395981        -3.58156         6.71518
 H         0.265728        -1.46222         5.05864
 H          2.17562        -2.94348         1.11767
 H          1.00009        -3.94158         1.98531
 H          3.40052        -2.95441         3.09297
 H          5.55528        -3.49191          2.7244
 H          4.51118        -4.18725        0.219035
 H          4.99961        -5.43958         1.57071
 H          2.65908        -5.51955        0.702647
 H          3.02315        -5.71824         3.53805
 H         -1.97501         3.48734         6.33307
 H          -1.8798         2.85519          4.7114
 H        -0.763513         1.15558         6.80622
 H          2.59326         4.99065         5.50212
 H         0.680089         5.01219         6.38629
 H         0.090851          4.9271         4.66302
 H           0.4552         2.35499         4.79392
 H          1.11904         1.40732         6.47786
 H        -0.128838        -3.07433        -2.39506
 H         0.915839        -2.80064       -0.949981
 H        -0.564968        -5.13784        -1.67868
 H        -0.944677        -3.80771         2.21374
 H         -1.97448        -4.25962        0.463411
 H         -2.90481        -2.76343        0.853826
 H         -2.14763        -2.78346        -1.35378
 H        -0.596568       -0.916034        -1.43651
 H         0.407401         5.80577        0.922132
 H        -0.709921          5.1095       -0.292987
 H         -1.77645         4.50713         1.34938
 H          3.41133         4.36762         1.81605
 H          1.81293         2.06854         1.79114
 H          1.39014         3.61566         2.46969
 H          1.94655         4.32484       -0.206351
 H          1.00282         3.16052         -1.6699
 H         -2.16172        -7.99942         -4.4029
 H         -1.07807        -6.75048        -5.09186
 H         0.079564        -7.15518        -3.37474
 H         -3.12367        -4.56157        -1.39833
 H         -3.50529         -7.2405        -2.44361
 H         -4.50063        -5.83389        -2.68936
 H         -3.32032        -5.88572        -4.81006
 H         -2.70908        -3.98614         -4.1049
 H          5.44513        -3.43082        -1.27843
 H          7.10365        -4.15899        -1.07468
 H          7.25042        -1.97219       -0.122236
 H          5.64094        -1.13685        -4.93014
 H          4.69473        -2.75437        -3.69037
 H           5.7484         -3.3186        -5.00571
 H          6.49273        -4.53925        -3.28484
 H          8.23535        -2.39198         -2.8085
212
 generated by VMD
 CL       -0.442886        0.736821         2.23215
 C         -4.83508           1.949        -3.84966
 C         -4.07682        0.940425        -2.93835
 C         -2.65825         1.38621        -2.34668
 C         -4.12188        -6.30124         1.86809
 C          -3.6396         -6.1756         3.33114
 C         -2.44569        -5.27792         3.57056
 C          5.49921         6.61491         5.29114
 C          6.10568         5.41347         6.09653
 C          5.46091          4.0122         5.58273
 C          2.75944         4.07418        -3.75842
 C           3.6431         4.63206        -2.63602
 C           3.6619         6.24106        -2.50152
 C         -5.95374          3.3081        0.839821
 C          -4.6377         2.67004         1.37486
 C         -4.44142         1.14181        0.999868
 C          2.34901         0.00535         -2.7668
 C          3.64681        0.164111        -1.88963
 C          3.81881       -0.838707       -0.814269
 C         -2.94812        -0.95229         4.56812
 C         -4.40037        -0.76144          4.8939
 C         -5.21414        -2.11945         4.74816
 C          4.03929         0.23619         3.42862
 C          3.39522        0.822149         4.78052
 C           4.2319        0.651336         6.05614
 C         0.163293        -1.81634         7.50614
 C         0.316786        -2.94321         6.45478
 C          1.69779         -3.6894         6.36973
 C          4.50699        -4.55581         1.26709
 C          3.06746        -4.98942         1.55366
 C          2.11273        -3.76915         1.92203
 C         0.666249         4.41167         5.56489
 C         0.063708         3.04258          5.6196
 C         -1.40672          2.7889         5.87575
 C         -1.68953        -3.17802        0.668691
 C         -1.20947        -2.58156       -0.646378
 C         0.038364        -3.24378        -1.22452
 C          1.70794         3.19461         1.61058
 C          1.18966         3.71383        0.293106
 C         0.046152         4.68807        0.619365
 C         -3.44407        -6.15089        -2.61095
 C         -2.67259        -5.96981        -3.97698
 C          -1.6323        -7.01964        -4.25421
 C          5.74524        -2.75198        -4.02661
 C          6.66616        -3.62083        -3.02778
 C          6.55627        -3.37069        -1.49103
 O         -2.51907           2.803        -1.84103
 O         -3.76452       -0.308646        -3.74634
 O         -3.91327         2.26771        -5.00858
 O         -1.13086        -5.57818          2.8671
 O         -3.30122         -7.4429         3.95543
 O         -3.12443         -6.9217        0.927003
 O           5.1349         3.89156         4.18028
 O          5.98047          5.5608         7.59205
 O          4.00131           6.658         5.33858
 O          3.61448          6.8874        -3.84951
 O          5.10242         4.19871        -2.83864
 O           1.3965         3.85196        -3.34232
 O         -5.51205        0.284589         1.50159
 O         -4.75405         2.78744          2.8727
 O         -7.09797         2.29077        0.712437
 O          2.73301       -0.845155        0.206851
 O          3.78479         1.62815        -1.53086
 O          1.08265        0.044205        -2.08938
 O         -5.18408        -2.71922         3.44826
 O         -5.03555        0.335487         4.12054
 O         -2.86944        -1.40796         3.15705
 O          4.53474       -0.700517          6.3493
 O          2.10143        0.052013         5.03856
 O          2.90822        0.431949          2.5343
 O          2.84512        -2.92784         5.79856
 O        -0.008339        -2.44871         5.07811
 O         -1.38189        -1.66357         7.87672
 O          2.49566        -3.20465         3.21397
 O          3.03459        -6.03987         2.59666
 O          4.78749        -3.26508         1.97069
 O         -1.62954         1.36066         6.22687
 O         0.644043         2.26998         6.90635
 O          2.09126          4.2832         5.06739
 O         0.142322        -4.68476        -1.07943
 O         -1.12842        -1.10983       -0.513168
 O         -0.99656         -2.8975         1.81961
 O        -0.849668         4.38206         1.67883
 O          1.01175         2.66054        -0.74212
 O          3.26535         3.52307         1.53239
 O        -0.793146        -7.19146         -3.0561
 O         -2.01661        -4.58005        -4.07672
 O         -2.87988        -5.41744        -1.40794
 O          7.17976         -1.9877        -1.17319
 O          8.08688        -3.27488        -3.32838
 O          6.29451        -1.42131        -4.21437
 H        -0.541793       -0.307687         1.38087
 H         -2.56042        0.720198        -1.51846
 H         -1.81741         1.26815        -3.07664
 H         -1.70912         3.21865        -2.14916
 H         -3.34684         1.41978        -5.12516
 H         -4.96216         2.82405        -3.25262
 H         -5.76249         1.54087        -4.23091
 H         -4.76159        0.627846        -2.05512
 H         -4.61879       -0.824427        -3.94009
 H         -2.61213        -4.22128         3.40148
 H         -2.31775        -5.40043         4.67436
 H         -1.24607        -6.45105         2.42848
 H         -3.10031         -6.3551        0.112899
 H         -4.48405        -5.33408         1.43694
 H         -4.94772          -7.007         1.94937
 H           -4.399        -5.67252         3.93637
 H          -3.6636         -8.3054         3.54456
 H          6.26249         3.29912          6.0615
 H          4.44816         3.86764         6.00634
 H          5.96825         3.60445         3.65652
 H           3.7381         7.54774         5.60552
 H          5.79356         6.48257         4.21645
 H          5.94526         7.60242         5.53842
 H          7.21473         5.47585         5.82639
 H           5.8161         4.68119         8.04352
 H          2.79763         6.49343        -1.92158
 H          4.55353          6.5262        -1.88028
 H          4.36021         6.54436        -4.41943
 H         0.941338         3.32248        -4.11231
 H          3.25056         3.07291         -3.8292
 H          2.88696         4.58979        -4.69281
 H          3.44378         4.15995        -1.61531
 H          5.27935         3.35611        -2.34581
 H         -4.25545        0.942132       -0.047546
 H         -3.50498        0.804904         1.56148
 H          -6.3228        0.865943         1.32566
 H          -7.9201         2.73249          1.1239
 H         -5.77756         3.67776       -0.211704
 H         -6.39594         4.18345         1.33436
 H         -3.78736         3.20123         1.00083
 H          -4.6397         1.86185         3.32719
 H          3.99149        -1.76208        -1.37791
 H            4.705       -0.620172       -0.171892
 H          1.96604       -0.537706       -0.453351
 H          1.07152        0.981854        -1.71593
 H          2.45282       -0.952692        -3.17653
 H          2.39849        0.704168         -3.5379
 H          4.45622       -0.074319        -2.61187
 H          4.32057         1.66708       -0.632141
 H         -4.68698        -2.72289         5.48385
 H         -6.27484          -1.931         4.94312
 H         -4.26864        -2.87048         3.11749
 H         -1.91452         -1.5078         3.01097
 H         -2.55425         -1.7682          5.2351
 H         -2.32805       -0.037992         4.64253
 H         -4.52725       -0.446827         5.95655
 H         -5.07882        0.067107           3.132
 H          5.14928         1.23489         5.99523
 H          3.54008         1.02208         6.77832
 H          3.73533        -1.30027         6.20016
 H          3.12847        0.151089         1.57198
 H           4.2548       -0.862496         3.43735
 H           4.8123        0.941263         3.21609
 H          3.16433         1.89008         4.60257
 H          1.76889        0.177268         4.10234
 H          2.06595        -4.12351         7.30807
 H          1.51296        -4.47121         5.63081
 H          2.54887        -2.85279         4.85928
 H         -1.65199       -0.668103         7.71552
 H         0.540899       -0.862545         7.15186
 H         0.731238        -2.00769         8.46534
 H        -0.386939        -3.71254         6.76405
 H         0.523585        -1.62108         4.92486
 H          2.24931        -2.98193         1.18313
 H          1.05802        -4.19247         1.93774
 H          3.47511        -3.11421          3.1132
 H           5.7008        -3.29802         2.42317
 H          4.70737        -4.44106        0.162589
 H          5.33181        -5.19722         1.49368
 H           2.5945        -5.38996        0.683728
 H          3.48142        -5.66808         3.42833
 H         -1.85673         3.41772         6.64901
 H          -1.9362         2.82533         4.91382
 H        -0.874444         1.21962         6.82965
 H          2.57786         5.07513         5.43293
 H         0.538779         4.82264         6.61722
 H         0.049766         5.00671         4.83586
 H         0.399584         2.38796         4.75145
 H          1.48689         1.84779         6.57435
 H         0.124738        -2.98249        -2.32113
 H         0.917929         -2.8568        -0.74483
 H        -0.470524         -5.1182        -1.73401
 H         -0.89925        -3.69176         2.47325
 H         -1.77389        -4.28514        0.555512
 H         -2.73206        -2.73376        0.790347
 H         -2.08417        -2.79627        -1.38249
 H         -0.46593       -0.768757        -1.18018
 H         0.678536         5.61859        0.909233
 H        -0.477772         4.85972       -0.360957
 H         -1.82965         4.45255         1.40608
 H          3.33395         4.32973         2.09654
 H            1.524         2.16012         1.57413
 H          1.33482         3.62368         2.57801
 H          1.90595         4.44863        0.009155
 H          1.17987         3.16655        -1.57094
 H         -2.19423        -7.94338        -4.43793
 H        -0.984215         -6.7655        -5.07651
 H         0.106338        -7.72389        -3.15344
 H         -2.92453        -4.41827        -1.65346
 H         -3.38182        -7.17467        -2.28376
 H         -4.47232        -5.85869        -2.80432
 H         -3.43186        -6.12433        -4.72453
 H         -2.68519        -3.86449        -3.92824
 H          5.53612        -3.21735        -1.15342
 H           7.0369        -4.20371       -0.944527
 H          7.02425        -1.95282       -0.156919
 H          5.67627       -0.830339        -4.72741
 H          4.72236        -2.71857        -3.57451
 H          5.71389         -3.3029         -4.9985
 H          6.49095        -4.71077        -3.22535
 H          8.36595            -2.5        -2.76313

