748
XYZ file for : ots4b in P 21/c
  H        6.72109        0.16988      -11.05526
  H        6.48167        1.35988      -11.02130
  H        0.33398        0.05879      -10.71235
  H        7.90063        2.26670      -10.35912
  H        4.25029       -0.24686      -10.52996
  H        1.12254        0.35961      -10.58828
  C        6.48782        0.73326      -10.32666
  H        0.19961       -1.86776      -10.45718
  H       -0.71550        2.91132      -10.43422
  H       -0.01464       -1.47444      -10.41341
  H        7.60928        2.06449      -10.13067
  C        6.94532        1.34419      -10.15795
  H        7.39492        0.48092      -10.04421
  C        7.14857        1.86759       -9.93770
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  H        5.21605       -1.13281       -9.61150
  H        1.23759       -0.78394       -9.69538
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  H        4.99286        7.95310       -9.33216
  H        3.15482       10.50481       -9.17810
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  H       -0.51557        4.03744       -9.31515
  H        3.85568        6.11904       -9.15729
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  H       -1.53453       -3.08466       -9.15748
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  O        2.19340       -1.23371       -7.39038
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  H       -1.66902        1.38180       -6.96267
  H        3.94191        9.99238       -6.50488
  H        4.87525        1.95324       -6.61825
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  H       -1.71260        1.66573       -6.65381
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  H        1.08636        7.95080       -6.22444
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  H       -1.84931       -6.05739       -5.36614
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  H       -4.98564        1.68906       -5.18947
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  H       -3.87796       -7.12857       -4.60833
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  H       -5.38187        4.73927       -4.65696
  H        1.61273        1.35835       -4.83094
  F        3.49682       -0.88926       -4.77690
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  C       -4.54347       -6.41698       -4.50270
  H       -3.90265        2.52959       -4.62109
  O       -0.41179        5.67425       -4.57547
  N       -3.42807       -5.49052       -4.51454
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  H       -1.04984       -2.63837       -4.46323
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  H        6.64225       -4.07459       -4.22795
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  H        9.77138       -3.28779       -0.89095
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  N        8.55353        3.80769       -0.87776
  H       -1.85099       11.79415       -0.61649
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  H        8.75963        5.49730       -0.73567
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  H       -7.25459       -4.19461       -0.70808
  O       10.79722        0.79967       -0.45974
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  H       -9.72539       -4.61135       -0.18278
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  H       -4.19216        8.42799       -0.14448
  O        7.46214       -5.06011       -0.14578
  H        2.67944        4.80575       -0.35838
  C        7.03036        3.02030       -0.18923
  H       -3.48392       10.80721        0.12044
  O       -5.43756        6.31284       -0.13174
  H        6.36640        2.29999       -0.21650
  C        7.48786        3.63123       -0.02051
  H        9.72539        4.61135        0.18278
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  H        6.07505        2.09779        0.01194
  H        3.61998      -10.49097        0.41139
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  O      -10.79722       -0.79967        0.45974
  H       -3.07321        9.21534        0.38589
  F        7.08866       -8.68929        0.52709
  C        3.10715      -10.17179        0.47667
  O        4.97365       -0.02419        0.09431
  H        1.85099      -11.79415        0.61649
  H       -6.36641       -2.30000        0.21651
  S       -6.75282        6.28329        0.39760
  C        3.39928       -9.53851        0.47993
  H       -6.58076       -3.88357        0.30296
  C        7.62601       -7.47612        0.62375
  C       -6.82711       -2.49690        0.40947
  H       -2.67944       -4.80575        0.35838
  C        3.50149       -8.86924        0.62495
  C       -9.49073       -4.84461        0.73963
  H       -8.75963       -5.49730        0.73567
  F       -1.30994       -0.02094        0.29633
  H        4.20033       -9.03526        0.73554
  S       10.62314        1.31019        0.85852
  H        7.49402        3.00460        0.67412
  H        7.25459        4.19461        0.70808
  H       -9.77139        3.28779        0.89095
  H       -3.62370        4.58888        0.58200
  H       -3.38427        3.39888        0.54804
  H      -10.82087        6.14032        1.16907
  N       -8.55353       -3.80769        0.87776
  O       11.33246        2.53338        1.11034
  H        0.04231       -3.29334        0.58062
  S        3.69990       -0.28971        0.65123
  C       -2.54469       -0.23835        0.63047
  H      -10.27168       -5.23172        1.18750
  H       -8.98282        3.58861        1.01502
  H        6.94353       -1.62186        0.87023
  H       -0.05204       -4.76274        0.76689
  H        0.40871      -11.86479        1.31744
  H       -9.90575        1.36124        1.14612
  H      -10.12000        1.75456        1.18989
  O        3.40367       -1.68704        0.80110
  F       12.76057       -0.00208        1.53021
  F       -2.67683       -1.54152        0.87236
  N        2.07632      -10.39191        1.34044
  H        7.35424       -3.21372        1.13568
  C        1.36380      -11.65101        1.46641
  H       -5.85507        2.98213        1.07334
  H       -3.87439       -5.53658        1.13241
  C       -7.99596       -2.83099        1.26188
  H        2.47711       -6.50842        1.16855
  O        9.30788        1.28065        1.38786
  C       -3.21262       -4.81529        1.18051
  N       -9.05793       -3.61870        1.46720
  C        2.36775       -9.35190        1.48671
  H       -2.20473        5.49569        1.24418
  H        8.06248       -0.83451        1.40060
  H        1.41586       -2.87615        1.16794
  C       -9.77904        2.58772        1.57697
  C       -3.61754        3.96226        1.27663
  H       -3.67276       -3.95602        1.28160
  C       -9.62593        3.28214        1.64363
  C      -10.12770        2.09261        1.71012
  F       10.95898       -1.09581        1.78321
  H       -6.70364       -0.56369        1.47030
  N        2.69820       -8.31803        1.61201
  H        0.30938       -4.65112        1.38442
  N       -7.49101       -2.04738        1.55913
  C       11.49633        0.11737        1.87987
  O       -6.92690        6.79382        1.71586
  C       -3.16004        4.57318        1.44535
  H       -2.49608        5.29349        1.47263
  C       -0.17245       -4.09435        1.43116
  C        0.33141       -3.67278        1.43672
  H        7.49030       -2.89749        1.66751
  N        1.50395      -10.23987        1.89650
  F        7.60587       -7.14609        1.90719
  C      -10.87880        6.33470        2.12774
  C       -8.54603       -2.80337        1.79236
  H       -2.71044        3.70991        1.55908
  C        7.26960       -1.94503        1.73605
  C        6.97747       -2.57831        1.73279
  H        1.74689      -13.48465        2.31537
  C       -2.95679        5.09659        1.66559
  H       -8.86778        2.44506        1.90792
  H      -10.62094        7.26643        2.28815
  H        1.19088        2.78774        1.61450
  H        1.24440       -3.37647        1.63360
  C        0.61587       -3.08391        1.63617
  C        1.80460       -9.23503        2.01906
  C        7.37181       -1.27576        1.88107
  H      -11.79861        6.19266        2.43509
  H        5.72131       -4.20066        1.87261
  H        3.91263        4.30014        1.83674
  H        8.07065       -1.44178        1.99166
  H        3.73947       -7.03047        2.00218
  O        3.32055        0.48897        1.78705
  F       -2.76708        0.36796        1.79342
  C        2.76519       -6.92468        2.00760
  N        2.13998       -8.22239        2.14221
  C       -5.62041        2.74887        1.99575
  C        1.92979      -12.54874        2.54140
  H      -11.63989        0.14433        2.44581
  N       -8.00975       -1.88351        2.15437
  H       -4.88931        2.09618        1.99179
  H        2.89794      -12.41129        2.60519
  H        3.81828        2.83074        2.02301
  N       -4.68321        3.78579        2.13389
  H       -9.02829        5.62394        2.60060
  C       -9.72703       -3.14451        2.59075
  C       -7.03343       -0.86394        2.35422
  N      -10.21038        4.03864        2.67701
  H       -1.92438       -5.95607        2.32890
  C      -10.66654        3.01138        2.71692
  H      -10.17333       -1.90065        2.65701
  N      -11.04960        2.07079        2.75161
  H        5.28618        4.71734        2.42407
  C       -2.30512       -5.04297        2.36634
  H       -6.40136        2.36177        2.44362
  H        6.34743        1.08506        2.42467
  N       -1.21474       -4.03984        2.33562
  H      -12.81119        1.07845        3.00823
  C       -9.95895        5.42788        2.87562
  C       -4.12564        4.76249        2.51800
  H       -0.00407        2.05690        2.38853
  C        0.65770        2.77820        2.43663
  N        5.94664       -2.79843        2.59656
  H        4.27903       -4.27130        2.57356
  H      -10.51257       -3.51890        2.97183
  H       -0.01382       -9.61613        2.84976
  C      -11.85779        0.86193        3.07642
  C       -9.56031       -2.62847        2.89116
  C        0.72059       -9.67736        2.88499
  C       -0.58218       -3.21374        2.51594
  H       -2.83332        7.02979        2.72642
  H        0.19756        3.63746        2.53772
  H      -10.06757       -3.45950        3.00295
  H        4.17970        2.94236        2.64054
  C        5.23412       -4.05752        2.72253
  N       -5.18761        3.97478        2.72333
  H       -7.46924       -0.08910        2.78985
  C        4.20173        3.92071        2.69284
  H        2.50262       -6.35599        2.76118
  C        6.23807       -1.75841        2.74283
  C        3.69787        3.49914        2.68729
  F       11.47619        0.44739        3.16331
  H       -5.38845       -2.01068        2.73157
  N       -3.62069        5.54611        2.81525
  H        1.37894       -0.87560        2.63685
  C       -9.09293       -2.10551        3.02589
  N        6.56852       -0.72455        2.86813
  N        0.03593       -2.35565        2.70224
  N      -10.72757        4.20554        3.27275
  C        0.75470       -9.04343        3.05404
  C      -11.08602        3.29521        3.28979
  H        5.11472        4.21701        2.88972
  H        1.51155      -12.33276        3.40084
  C        4.48619        4.50957        2.89229
  N      -11.57738        2.21392        3.33347
  C        1.07757       -8.44073        3.05170
  H        0.47072       -8.10565        3.06130
  N       -1.74941       -3.81384        2.90392
  C       -4.67570        4.79011        3.04848
  H        0.03233      -10.12308        3.36497
  N        5.37427       -2.64639        3.15262
  H        7.60979        0.56301        3.25830
  C       -5.86481       -1.28266        3.18285
  C       -1.08039       -2.96945        3.06937
  H       -2.82048       -4.95511        3.20711
  C        6.63551        0.66880        3.26372
  C        5.67492       -1.64155        3.27518
  H       -5.25967       -0.52119        3.30253
  N       -4.13943        5.70997        3.41049
  N        6.01030       -0.62890        3.39834
  N       -0.44225       -2.10297        3.25842
  C        0.67315       -1.17651        3.24658
  H      -10.03377        5.62789        3.84230
  H        5.61721       -5.89116        3.57149
  H      -12.88933        3.58631        4.12274
  H       -9.10043       -2.41125        3.72892
  H        0.00764       -0.46491        3.35221
  C       -3.16311        6.72954        3.61034
  H      -11.65409        0.56792        3.98878
  H        0.70362       -7.81260        3.65820
  H       -9.31619       -1.58823        3.79076
  N        2.65558        3.55364        3.59174
  C        5.80011       -4.95526        3.79752
  H        1.11532       -9.28254        3.93335
  H        6.76827       -4.81780        3.86131
  H        1.94594        1.63742        3.58502
  H        5.24926        6.71788        3.89297
  C        1.56520        2.55051        3.62246
  H       -6.30301        5.69283        3.91313
  C       -5.85671        4.44897        3.84687
  C      -12.18558        2.93501        4.33919
  C        3.28814        4.37975        3.77206
  C      -11.63027        4.18655        4.34491
  C      -11.95245        3.67906        4.39462
  H       -3.59892        7.50439        4.04597
  N        3.90625        5.23783        3.95836
  H        6.37294        1.23750        4.01730
  H       -1.51813        5.58281        3.98769
  C       -2.30311       -3.09783        3.92254
  F       -2.40212        2.50859        3.91996
  H       -6.17903       -1.59111        4.05833
  C       -5.68999        4.96501        4.14728
  H       -2.87028       -2.88526        3.97019
  H      -11.77439        4.61079        4.64062
  H       -6.64225        4.07459        4.22795
  H       -6.19725        4.13399        4.25908
  H        3.85650       -2.02265        4.10588
  C       -5.22261        5.48798        4.28201
  C        4.59091       -2.08387        4.14111
  O        2.31396       -4.28132        4.17990
  C       -1.97537       -2.51494        4.12046
  N        2.12091        3.77965        4.16004
  H       -2.02101       -1.53609        4.11002
  H        1.06456       -1.39003        4.11917
  C       -1.48728       -2.02605        4.16703
  H      -12.86641        2.62028        4.92253
  C        2.78994        4.62403        4.32549
  C        4.94789       -0.84725        4.30782
  C        4.62502       -1.44995        4.31016
  H      -11.81796        4.89472        4.94948
  C        4.54347        6.41697        4.50270
  H        4.34104       -0.51216        4.31742
  C       -1.99449        6.31083        4.43897
  H       -3.10933       -3.30499        4.38027
  H        3.87796        7.12857        4.60834
  H       -1.38934        7.07229        4.55865
  N        3.42807        5.49051        4.51454
  H        5.38187       -4.73927        4.65696
  H        1.04984        2.63837        4.46323
  O        0.41179       -5.67425        4.57547
  H      -11.77675        3.09841        5.16451
  H        3.90265       -2.52959        4.62109
  F       -3.49682        0.88926        4.77690
  H       -5.23011        5.18224        4.98504
  H       -5.44587        6.00525        5.04688
  H       -1.61273       -1.35835        4.83094
  H        4.57394       -0.21912        4.91432
  H       -2.19893       -7.46290        5.18266
  H       -1.63854       -2.81700        4.98977
  H       -2.15773       -9.25922        5.39769
  S        1.32209       -4.70439        5.11693
  C       -2.84383        2.01153        5.06658
  H        4.98564       -1.68906        5.18947
  C        1.56721        4.49565        5.17866
  H        4.93488        6.20346        5.37529
  H        1.00004        4.70822        5.22631
  H       -2.30871        6.00237        5.31445
  H        1.84931        6.05739        5.36615
  H       -1.10927       -6.98477        5.42465
  C        1.89495        5.07854        5.37658
  C        2.38304        5.56743        5.42315
  H       -2.20130       -8.97528        5.70655
  F       -3.73821        2.85661        5.53627
  O       -0.68200        0.79601        5.54994
  F        2.86910       -6.66889        5.79090
  H        0.76099        4.28849        5.63640
  C       -2.02323       -8.04355        5.95256
  C       -2.34542       -8.55104        6.00227
  C       -1.79011       -7.29950        6.00799
  O        0.69972       -3.69192        5.88525
  H        2.25759        6.23513        6.08706
  H       -1.08636       -7.95080        6.22444
  H       -3.94191       -9.99238        6.50488
  H       -7.79666       -2.77338        6.28884
  H        2.23178        4.77649        6.24589
  C        2.26111       -5.65662        6.32846
  S       -1.51239        1.71777        6.23665
  H       -2.32160       -4.93241        6.35839
  O       -0.93366        3.02170        6.40287
  H       -4.65950       -2.77626        6.55642
  H        1.67139        0.13058        6.43878
  H       -4.87525       -1.95324        6.61825
  H       -8.71602       -3.84330        7.04465
  H        1.71260       -1.66573        6.65381
  H        2.76105        0.60872        6.68077
  N       -3.24811       -8.57004        7.07442
  C       -2.88967       -7.65970        7.05739
  F        3.18262       -4.89253        6.91232
  N       -2.39831       -6.57841        7.01371
  C       -8.11088       -3.08183        7.16433
  H        1.66902       -1.38180        6.96268
  C       -4.01673       -9.79237        7.47156
  C       -2.11790       -5.22642        7.27076
  F        1.49579       -6.11552        7.31520
  H       -4.94740       -9.98843        7.74658
  C       -4.88276       -2.25898        7.32129
  C        1.84709       -0.45007        7.20868
  H       -1.16449       -5.44294        7.33895
  C        1.52491       -0.95756        7.25839
  C        2.08021        0.29399        7.26411
  H       -8.58723       -2.35381        7.61561
  H       -3.90812       -0.90499        7.34422
  N       -3.76530       -8.40313        7.67016
  H       -6.50644       -4.27539        7.55733
  H       -3.46312       -0.84559        7.37535
  C       -3.30915       -7.37587        7.63026
  C       -4.41537       -1.73602        7.45602
  O       -2.19340        1.23371        7.39038
  N       -2.92608       -6.43529        7.59556
  H       -2.17707      -10.55715        7.91208
  H       -3.35475      -11.63092        8.05903
  H        2.78396       -0.35732        7.48056
  H        1.54872        2.66107        7.61451
  H       -3.80236       -2.46384        7.69017
  C       -3.09689      -10.69919        8.21944
  C       -4.24866       -1.21998        7.75643
  C       -6.94225       -3.50055        7.99296
  H       -0.07159       -2.39889        7.76100
  H       -2.33580       -4.50882        7.90136
  N       -5.96593       -2.48098        8.19281
  H       -5.10791       -6.80955        8.43926
  N        1.47201        1.01507        8.26983
  C        0.98065       -0.06622        8.31351
  N        0.62221       -0.97655        8.33054
  C       -4.34975       -7.64663        8.70355
  C       -3.84799       -6.45710        8.63706
  C       -5.42966       -1.56112        8.55482
  C       -4.19665       -6.95221        8.77020
  C        1.75242        2.36706        8.52688
  H        2.70583        2.15054        8.59507
  H       -7.27205       -3.80080        8.87688
  N       -6.48468       -2.31712        8.78805
  H       -3.15482      -10.50481        9.17810
  C       -0.14641       -2.19889        8.72768
  N       -4.91775       -0.74579        8.87997
  N        0.94424        1.15820        8.85168
  C        0.56117        0.21761        8.88638
  C       -5.97973       -1.53350        9.08530
  H       -3.85568       -6.11905        9.15729
  H       -4.99286       -7.95310        9.33216
  N        0.10502       -0.80965        8.92629
  H       -4.06993       -5.72573        9.20106
  H       -1.07708       -2.39494        9.00270
  H       -3.70401        0.86722        9.15968
  H       -4.20430       -7.65228        9.45623
  H        1.53452        3.08466        9.15748
  H        1.69325       -2.96367        9.16821
  H        0.51557       -4.03744        9.31515
  N       -5.42215       -0.55680        9.46941
  C        0.77343       -3.10571        9.47556
  H       -5.21605        1.13281        9.61150
  C       -4.48496        0.48012        9.60754
  C       -7.14857       -1.86759        9.93771
  H       -1.23759        0.78394        9.69538
  H       -7.39492       -0.48092       10.04421
  H       -7.60928       -2.06450       10.13067
  C        0.02233        1.13638        9.89318
  C       -6.94532       -1.34419       10.15795
  C       -0.47943       -0.05315        9.95967
  C       -0.32633        0.64127       10.02632
  H       -7.90063       -2.26670       10.35912
  C       -6.48782       -0.73326       10.32666
  H        0.71550       -2.91132       10.43422
  H        0.01464        1.47444       10.41341
  H       -0.19961        1.86776       10.45718
  H       -4.25029        0.24686       10.52996
  H       -1.12254       -0.35961       10.58828
  H       -0.33398       -0.05879       10.71235
  H       -6.48167       -1.35988       11.02130
  H       -6.72110       -0.16988       11.05526
