308

Mg    -0.042795926       2.9280838       11.290425
Mg       1.4387273       4.4067351       9.1131486
Mg    -0.052284532       5.9192232       6.9804072
Mg       4.4303048       1.4492175       9.1166919
Mg       1.4351822       7.4168647       4.8797288
Mg        1.435419       7.4170082       9.0824594
Mg       4.4278547       7.4207208        9.080716
Mg       2.9417254       5.9183381       6.9810157
Mg       4.4277753       7.4203249       4.8836543
Mg       4.4396028       4.4066766       4.8459977
Mg       4.4395425       4.4061381       9.1209961
Mg       2.9450573       5.7624864        11.27441
Mg       2.9473659       2.9310335       11.289675
Mg       2.9416155       2.9282215       6.9800257
Mg       1.4379862       4.4070499       4.8469355
Mg    -0.047211968     0.098669148       11.285704
Mg       5.9296284       5.7459771       11.352647
Mg    -0.049340588        2.926365       6.9794982
Mg       2.9379252      0.11375296       11.363703
Mg       1.4470606       1.4487687        4.833925
Mg       2.9390871    -0.057818861       6.9804635
Mg        1.447661       1.4490878       9.1257974
Mg    -0.049149969    -0.056129516       6.9803381
Mg       4.4301108       1.4487282       4.8436025
Mg       5.9381619       2.9281338       11.290143
Mg       7.4229033       4.4066275       9.1142212
Mg       5.9321336       5.9198367       6.9818059
Mg       10.413588       1.4496384       9.1176035
Mg       7.4194762       7.4170507       4.8815986
Mg       7.4196329       7.4172737       9.0833196
Mg        10.41074       7.4200289       9.0819481
Mg       8.9258129       5.9178258       6.9809597
Mg       10.410765       7.4197776       4.8803941
Mg       10.422165       4.4072495       4.8380308
Mg       10.422375       4.4065647       9.1232004
Mg        8.926957       5.7613538        11.28159
Mg       8.9308486       2.9314669       11.293596
Mg       8.9260331       2.9289562       6.9798835
Mg       7.4223893       4.4072161       4.8480473
Mg       5.9354797     0.099263245       11.285623
Mg     -0.05342211       5.7456943       11.354433
Mg       5.9351938       2.9257978       6.9801178
Mg       8.9212458      0.11455622       11.363729
Mg       7.4310277       1.4490462       4.8344634
Mg       8.9230319    -0.057575266       6.9806714
Mg       7.4313822       1.4497407       9.1263192
Mg       5.9347643    -0.055777848       6.9809576
Mg        10.41342        1.449118       4.8425401
Mg    -0.045831231       2.9280154       2.6682156
Mg       2.9450521       5.7623867       2.6872732
Mg       2.9467807       2.9313045       2.6743105
Mg    -0.047682894     0.098604798        2.672807
Mg       5.9291588       5.7462187        2.610538
Mg       2.9374075      0.11337862       2.5947572
Mg       5.9371902       2.9285065        2.673201
Mg       8.9261726       5.7620266       2.6790473
Mg       8.9293611       2.9313304       2.6694092
Mg       5.9349795     0.098889878       2.6742205
Mg    -0.054011199       5.7453234       2.6033695
Mg        8.920663      0.11384142       2.5957708
H       5.6209583      -1.9391299       18.391817
H       4.6896435     -0.86690389       19.251632
H       9.8779591       9.3674894       17.027428
H       9.2690544       7.8881294       16.843206
H       4.4069147      -1.3941336       15.455108
H       5.9223573      -1.8057795       15.279692
H        5.416076      0.58269854       25.040978
H       5.5078184      0.10796249       26.470479
H       2.5302715       5.4659396       16.302488
H       1.7999485       4.1562336       15.772778
H      -1.8057021       1.7578746       28.154345
H      -2.2874899       2.9818001       27.321772
H       3.7013623        3.327603       21.426779
H       3.4719852        4.708932       21.016554
H       3.2872904       2.2744116       27.435398
H       2.5625102      0.99377201       27.031729
H      0.99522071       4.5980642       20.985539
H      0.33596633       5.3120744       19.823108
H       3.9293613       4.1672207       28.109057
H       4.5978407       4.1000064       26.625118
H      0.48990394       5.6048456       26.459541
H      0.70768863       6.2174649       24.997343
H       6.1621415       3.7892088       17.361115
H       5.0928867       3.5642529       18.487395
H       2.1655518       3.5422135        17.66647
H       1.9680391       2.9218561       19.095379
H       10.277907       2.8895229       24.135987
H       9.8168597       1.9891322       25.342047
H       2.2195646     -0.43093894       28.441441
H       1.9257175     -0.98442464       26.888282
H      -1.2925244       3.6083098        17.45264
H     0.062380313       2.8872248       18.052678
H       2.4346685      -1.1252389       19.906135
H       3.1895728     -0.50515411       20.932256
H        9.207018       5.7139723       17.199283
H       8.3624652       4.9383179       16.085865
H       2.9660458        2.316039       24.188732
H       2.0111465       2.6184547       25.334823
H       6.5425175       2.8010909       25.287846
H        7.752715       2.9216006       24.326474
H       2.1747307      -1.1255574       22.865811
H       3.7252519      -1.4287175       22.756894
H      0.29694922       5.6505408       22.745113
H     0.095485864       7.0933167        23.01769
H       3.9846027       1.6188984       19.638752
H       5.2658946       2.2823732       20.301231
H       0.6585231    -0.052563147       17.022271
H       2.1633477      0.37557266       17.445803
H       6.0425773      -1.3097373       20.951975
H       5.8745139     -0.10239724       21.870866
H       7.5844181       4.1606764       20.925952
H       6.8329291       4.6770622       19.668654
H       4.9746397       1.9117232       23.065766
H       3.9414004      0.66337392       23.273505
H       7.5285197       4.7497126       25.989877
H       7.7783398       6.3048053       26.376118
H       8.6876303       6.9708805       22.470637
H        8.350837       6.6483428        24.00261
H       6.2637624      0.34090166       15.815192
H       6.3912732      0.26337573       17.435673
H       3.1522112      -2.3847859       25.265607
H       3.3800225      -3.6081649        24.45725
H       6.9187604       2.3475884       29.208211
H       6.5142203       3.5292718       28.171447
H       9.5484738      -0.8900293       19.491807
H       8.7379908      -2.2252437       19.506216
H       9.3684389       1.9504383       19.361012
H       8.2802145       1.4892057       20.385669
H     -0.13586563       3.4439014       27.582868
H     -0.35247949       4.6384275       28.625688
H       0.8177596       3.4534081       23.370113
H   -0.0021423797       2.8126211       22.214664
H      -2.0255351      0.40841841       26.269394
H     -0.97484671     -0.71598345       25.874532
H      -1.1432104       1.3043741       22.975917
H      -1.1623534      0.86381514       21.392939
H       1.9972334        2.860711       13.756504
H        1.886483       5.7860344       13.589497
H        4.828602      0.12440915       13.579856
H       4.9906101       3.0457928       13.765837
H       4.3037671       7.4420409       12.377846
H      0.10138423       4.2267651       13.562694
H       3.2673599       4.9791469       13.690002
H       2.8537542     -0.40290739       14.084024
H       1.2947482       7.3575317       12.373717
H        5.842638       6.3202314       14.072608
H      0.25711145      0.90304295       13.698361
H       9.0392556       1.6910658       13.571691
H       7.9802505       2.8591601       13.760667
H       7.8256052       5.7834045       13.583233
H      -1.1541347       0.1255621       13.580441
H      -0.9302225       3.0407102        13.79319
H       10.286533       7.4466323       12.379472
H       6.0455784        4.217079       13.566709
H       9.2184105       4.9867983       13.703457
H       8.8386701     -0.40608941       14.082048
H        7.281397       7.3646834       12.373881
H     -0.13596295       6.3119283        14.07567
H       6.2305001      0.91202282       13.696384
H       3.0560858       1.6897877       13.569788
H       1.9998481       2.8641602      0.19685897
H       1.8831317       5.7835783      0.37145588
H       4.8284922      0.12466666      0.37797682
H        4.991316       3.0443847      0.19023091
H       4.3060367       7.4392687       1.5802679
H     0.066840581       4.2188789      0.39131976
H       3.2660524       4.9797081       0.2653664
H       2.8508589     -0.40003886     -0.12581751
H       1.2946194       7.3554344       1.5845239
H       5.8412694       6.3196781     -0.11349756
H      0.24584672      0.91469014      0.26219473
H       9.0361103        1.686719      0.38771973
H       7.9815605       2.8610817      0.19599626
H       7.8240453       5.7833633      0.37569114
H      -1.1545198      0.12551568      0.37755909
H     -0.99232603       3.0508605      0.19148332
H       10.286986        7.445577       1.5785512
H       6.0445885       4.2175427      0.39218927
H       9.2180757       4.9897168      0.25125705
H       8.8360453     -0.40591135     -0.12350901
H       7.2797109       7.3631438       1.5851554
H     -0.13049769       6.3201992     -0.11644676
H       6.2303619      0.91225634      0.26285215
H       3.0537055        1.688692       0.3897372
O        5.555328      -1.0955112        18.91819
O       9.9022586        8.560009       16.461709
O       5.3018672      -1.1690664       15.715136
O       6.0846136      0.46476256       25.798799
O       2.5899553       4.4987246        16.21706
O      -1.6621468       2.3147415       27.345674
O       3.8383625       4.1937011       21.789734
O       2.4933155        2.018615       26.998664
O       1.2374066       5.1525967       20.217597
O       4.7417726       3.8676037       27.645683
O      0.61341687       6.3950926       25.914824
O       5.7045871       4.2195214        18.12903
O       1.7422206       2.8039772       18.162517
O       9.4978187       2.3603124       24.475453
O       2.6147124     -0.67506079       27.538852
O     -0.91841798       2.7992521       17.866737
O       3.1153391     -0.46476667       19.945885
O       9.2827833       5.0761877       16.470375
O       2.0359468       2.7870336       24.379068
O       7.1178973        3.445378       24.852833
O       3.1155821     -0.71794653       22.711232
O      0.67988659        6.377401       23.230766
O       4.5110645       2.4373633       19.669902
O       1.6097037     -0.36669072       17.000313
O       5.6735145      -1.0634998       21.852249
O       7.4598119       4.9342022       20.307026
O       4.3433861        1.479952       23.725826
O       7.3442349       5.4854968       26.660799
O       8.4322963       6.2650472       23.096908
O       6.7606967      0.68100329       16.630483
O       3.8471153      -2.9690503       24.968474
O       7.0857012        3.236891       28.883566
O       9.4580854      -1.7099591       19.020067
O       9.1410198       1.1967034       19.941157
O      0.35173768       4.2198361       28.032296
O      0.16003313       3.6700171       22.700147
O      -1.8780184     -0.39013226       25.660616
O      -0.7109683      0.71282144       22.254481
O       1.4580338       4.3952427       11.150217
O    -0.061557014       5.9698044       4.7969011
O       5.8585968     0.052032207       13.429053
O       4.4481795       1.4643717       11.151425
O    -0.058606271      -0.1097978       9.1561398
O        4.459576       7.3807657       11.410093
O       2.9326106       5.9706668        4.816568
O        1.448386       7.4221858       6.9803512
O       4.4402671       7.4264245       6.9810011
O        2.933419       5.9697365        9.145581
O    -0.056460596       2.9269848       9.0564055
O        4.443944       4.4565018       6.9803855
O       4.4350019       4.3971662       11.185312
O       1.4688891       7.4495961       11.410082
O       2.9091133       5.8476685       13.428517
O       5.9220439        5.970375       9.1691386
O       5.9209369       3.1939523        13.49694
O       4.4413183       1.3982541       6.9794586
O       2.9346389       2.9275912       9.0561092
O       1.4496885       4.4573141       6.9796709
O       2.9300874     -0.11126702       9.1753992
O      0.33731939       5.7797375       13.417514
O       2.9313426        2.714359       13.496406
O     -0.05673418        2.926965       4.9017672
O       1.4436266       1.4610711        11.19078
O       2.9300966     -0.11164804       4.7848746
O       1.4522981       1.3984699       6.9794402
O    -0.058627038     -0.11013507       4.8074678
O       2.9339511       2.9271778       4.9029618
O       3.3175647      0.13310806       13.422235
O       7.4397845        4.394044        11.15098
O         5.92266       5.9705302       4.8084284
O     -0.12405802     0.048000289       13.429115
O       10.432167       1.4648213       11.153267
O       5.9250266     -0.10916608       9.1548481
O        10.44272       7.3801228       11.411969
O       8.9165651         5.96994       4.8134645
O       7.4333467       7.4228206       6.9812033
O       10.423877       7.4253973       6.9803403
O       8.9169914       5.9693984        9.148983
O       5.9269874       2.9268701       9.0561641
O       10.427455       4.4568193       6.9796101
O       10.419554       4.3965065        11.19047
O       7.4511545       7.4504654       11.409355
O       8.8543407        5.848508       13.428575
O     -0.06157869       5.9699588       9.1700837
O    -0.009880254       3.1977685       13.498774
O       10.424868       1.3982469       6.9793281
O       8.9185572       2.9278024       9.0566283
O       7.4341281       4.4571514       6.9802603
O       8.9138705     -0.11044308        9.176218
O       6.3107219       5.7791874       13.417891
O       8.9129822       2.7150026       13.498103
O       5.9274638       2.9262003       4.9033393
O       7.4264086       1.4615819       11.191844
O       8.9135613     -0.11130628       4.7851257
O       7.4364156       1.3986548       6.9795338
O       5.9248008     -0.11001018       4.8088289
O       8.9181083       2.9278205       4.9019405
O       9.3021269       0.1329166       13.422273
O       1.4572255       4.3951508       2.8080872
O       4.4478148       1.4641543       2.8076474
O       4.4599498       7.3802808       2.5484422
O       4.4357337       4.3982948       2.7921018
O        1.468506        7.449548       2.5481325
O       1.4425633       1.4613051       2.7679611
O       7.4387359       4.3950643       2.8093978
O       10.431179       1.4640254       2.8069865
O       10.442627       7.3801984       2.5462117
O       10.417447       4.3978329       2.7727366
O       7.4502607       7.4497784       2.5495305
O       7.4254625       1.4612459       2.7683399
O       5.8583309     0.051949109      0.52891197
O       2.9071418       5.8467662       0.5303113
O       5.9204194       3.1941797      0.46216635
O       0.3364082       5.7800439       0.5398578
O       2.9309215       2.7146376      0.46211535
O       3.3171759      0.13451998        0.535368
O      -0.1248269     0.053762891      0.52830251
O       8.8526671       5.8494213      0.52964461
O     -0.06156744       3.1954481      0.46063256
O       6.3092909       5.7785106      0.54120113
O       8.9129062       2.7123534      0.46074187
O        9.300168      0.13310953      0.53568142
Na       6.1489175       5.2884488       23.516341
Cl       6.7715275       2.2294132       21.600936
