1690
Ga from 20A_Ga on Anvil, explicitally solvated monomer from Maestro Schrodinger
  Ga            0.85085            2.97704            7.57786
  Ga            4.45065            4.12284            4.56444
  Ga            1.50274           -0.06654            7.11680
  Ga            1.07448            5.41290           12.57121
  Ga            2.72664            2.92696            1.99762
  Ga            1.64003            5.88243            5.11867
  Ga            3.77519            1.69025            5.96969
  Ga            4.04455            1.37602           12.74879
  Ga            1.13483            6.61743            2.62048
  Ga           -1.54206            7.52820            3.58770
  Ga            1.20039            6.02637            9.64712
  Ga            2.24466            1.13747            9.90010
  Ga            0.24251            9.15773            2.20932
  Ga           -2.79479            5.26687            7.58207
  Ga            9.95362            8.45078            5.16607
  Ga           -0.35010            3.75848           10.05949
  Ga            3.71829            5.26870            2.23508
  Ga            6.27424            0.42350            6.87375
  Ga            6.46063            5.78178            9.14552
  Ga            5.62194            1.25608            9.58480
  Ga            2.39818            4.98505            7.38789
  Ga            5.14576            5.17026            6.96977
  Ga            3.71710            2.67328            8.45890
  Ga           -0.72464            1.14291           11.67693
  Ga            3.17087            8.27821            3.90644
  Ga            7.93867            7.97172            7.98669
  Ga            3.87570            5.15015            9.92496
  Ga            5.33192            3.19728           11.54425
  Ga            2.19057           11.08923            2.48727
  Ga            5.21796            8.00806            7.48877
  Ga           -2.10992           11.56082            8.45517
  Ga            1.59488            2.28720           13.71574
  Ga            4.69642           -1.51109            3.23156
  Ga            6.77727            3.11845            7.36737
  Ga           10.82984            2.66647           10.20192
  Ga            6.52281            5.56549           11.89967
  Ga            7.85032            2.42772            2.50753
  Ga           10.22308            3.64081            2.34112
  Ga            8.80834            4.59512            8.31758
  Ga            7.36225            0.04109           12.08169
  Ga            6.51887            5.06308            2.27280
  Ga            8.65416            3.73111            5.36794
  Ga           11.41459            6.13091            4.84938
  Ga           11.45790            5.29371           10.01932
  Ga            4.97542            7.58936            2.01068
  Ga            4.32961           10.51493            8.09475
  Ga           -0.50059            7.56607            6.43120
  Ga            2.41876            3.30180           11.29546
  Ga           10.08666            0.57564            4.38946
  Ga            8.27735            1.74730            9.64237
  Ga            9.84367           -0.82638           10.39950
  Ga            9.96510            0.89073           12.40148
  Ga           12.31175            3.65772            4.34367
  Ga            9.53089            1.67819            7.00392
  Ga           14.02790            4.13668           12.44954
  Ga           15.41685            6.62521           12.55740
  Ga            9.16990            5.82495            3.07807
  Ga           10.64040            6.78728            7.61127
  Ga            8.95638            4.61653           10.98343
  Ga           10.80201            4.51875           13.17757
  Ga            7.17998            9.37650            4.57968
  Ga            7.99678            6.47547            5.51229
  Ga           -0.52598            9.09658            8.87258
  Ga            5.43442            8.99200           10.43297
  Ga            4.64163           10.44767            4.23074
  Ga            1.80452           13.86110            1.98855
  Ga            2.32979           10.69106           10.54655
  Ga            0.99781           17.79299           12.92367
  Ga            2.79211           14.20442            4.88526
  Ga            2.50335            8.15156            6.66331
  Ga           -0.16319           12.28517            6.75780
  Ga            3.61302            6.38394           12.29837
  Ga            2.67616           18.63646            4.23294
  Ga            3.28771           16.65568            7.40035
  Ga           -1.42911           16.45332           14.08021
  Ga            2.60651           13.53554           10.64912
  Ga           -0.02295           18.55320            5.19645
  Ga            4.63246           19.56538            2.37986
  Ga            9.00015           15.07928            9.66751
  Ga            0.51650           15.42520            7.19768
  Ga            4.38413           13.23209            2.60106
  Ga           -3.29913            7.56858            5.54212
  Ga            6.19237           12.76224            4.45138
  Ga            1.53516           10.44142            8.01138
  Ga            6.16158           14.13951            1.22364
  Ga            3.06662           14.04454            7.79130
  Ga            4.60141           11.60867           10.69119
  Ga            1.59637           15.15760           12.84282
  Ga            9.59477           13.70039            3.44229
  Ga            6.62649           18.01051            4.72687
  Ga            6.39321           13.96921           10.07837
  Ga            4.28998           14.30486           12.60660
  Ga            5.56244           17.17060            1.63144
  Ga            5.54475           20.35424            5.43433
  Ga           -2.01837           16.36534           11.48887
  Ga            4.24770           16.98989           12.87109
  Ga            6.78868           11.23115            1.90213
  Ga            5.67500            6.76830            4.86171
  Ga            5.40945           12.88136            7.81011
  Ga            6.06255           10.31810           12.73537
  Ga            4.29563           10.04791            1.48691
  Ga            9.10698           11.76976            7.50514
  Ga           10.17172           11.70724           13.54371
  Ga            9.76576           14.32427           12.22570
  Ga            6.96281           15.51202            3.68242
  Ga            7.83397           14.34671            7.08521
  Ga            7.57906           12.51349           12.31665
  Ga            6.83599           15.04536           12.59394
  Ga            8.25792           15.96210            0.63086
  Ga            7.76143           16.87494            7.93153
  Ga            5.24159           15.29170            6.13500
  Ga            7.33983           20.62957           13.64999
  Ga            7.62765            7.90249            2.24848
  Ga            6.75625           10.42516            7.15561
  Ga           12.69561            8.10261            9.76618
  Ga            7.84852            7.85080           10.82990
  Ga            8.71770           11.56879            4.75068
  Ga           11.33753           10.31320            3.90351
  Ga            9.94971            9.26550            9.20588
  Ga            7.20349           11.24507            9.90226
  Ga            8.95387           12.90426            1.11193
  Ga           11.49175            9.77267            6.89553
  Ga            9.92061           11.77436           10.37138
  Ga           12.01662           17.59351           10.32739
  Ga            8.22625           18.12538            2.02926
  Ga           10.43528           16.51805            2.96474
  Ga            3.06771           16.38952           10.09054
  Ga            5.62352           16.54922           10.05199
  Ga           13.74646           -1.13795            3.84286
  Ga           11.24428            1.36360            1.98384
  Ga           12.16226            1.68125            7.96164
  Ga            5.90469            7.71084           12.86450
  Ga           18.71795            2.16794            3.62978
  Ga           13.73900            0.62493            1.62197
  Ga           14.67570            1.91560            7.51414
  Ga           12.45167            2.14420           12.80669
  Ga           13.03354            5.72917            2.34521
  Ga           11.26568            4.01423            7.02735
  Ga            9.94189            6.80202           11.92805
  Ga           14.51466            5.58229            9.95736
  Ga           11.01148            7.52633            2.46255
  Ga           13.88384            8.02320            4.04119
  Ga           18.72918            7.84972            7.55244
  Ga           17.50676            5.30332           11.46276
  Ga           13.88732           -1.95915            1.29481
  Ga           17.03200           -0.06263            5.34864
  Ga           15.65984            0.58483            9.48638
  Ga           14.18702            0.33530           11.87164
  Ga           19.94547            4.21925            1.93334
  Ga           14.33158            3.44220            2.07612
  Ga           15.08584            1.46050            4.15940
  Ga           13.70235            2.89179           10.14124
  Ga           14.70063            3.65719            5.42966
  Ga           13.94154            5.17990            7.41992
  Ga           14.61083            9.10753           11.82566
  Ga           19.08141            3.11742           10.24346
  Ga           14.29869           10.76545            0.45038
  Ga           15.84746            8.66978            1.75691
  Ga           12.81956            6.77193           12.29991
  Ga           17.36128            7.52321           10.15589
  Ga           16.18984           -2.28580            2.42235
  Ga           18.92637           -2.65806            4.33102
  Ga           17.07201           -1.96171            7.36480
  Ga           18.99432           -1.07936           12.38390
  Ga           17.77334           -0.17059            2.76943
  Ga           17.68862            2.37466            6.70902
  Ga           19.00019            0.15861            7.22196
  Ga           16.40266            2.51576           11.52601
  Ga           16.31950            1.42918            1.33713
  Ga           17.16511            4.47214            4.91241
  Ga           16.63450            3.43673            9.01254
  Ga           18.72319            1.87407           12.73076
  Ga           15.43828            5.76981            3.65088
  Ga           16.06774            7.43154            6.27464
  Ga           20.27437            7.95065           10.64577
  Ga           18.28179            9.96320            9.86633
  Ga           19.82457           -2.42864            7.36386
  Ga           20.74532            1.30355            2.12459
  Ga           20.08406           -0.24645            4.51442
  Ga           21.53908           -0.14122            8.14464
  Ga           20.97555            4.39055            4.24529
  Ga           20.55812            2.23454            5.68501
  Ga           18.35095            0.36445            9.98126
  Ga           21.28293            2.44598           12.34969
  Ga           23.16134            2.47335            3.45573
  Ga           17.33463            3.92844            2.17895
  Ga           20.48424            5.56176            8.86348
  Ga           20.36198            5.19254           11.72625
  Ga           22.40143            3.34003            0.60104
  Ga           17.76165            6.74001            2.14002
  Ga           17.13976            5.77085            8.09544
  Ga           21.51071           10.22668           10.23212
  Ga           11.93451           12.24010            1.58628
  Ga           10.85906           14.92439            0.78611
  Ga           11.32087            9.08518           12.11030
  Ga           11.14542           16.72051           13.04312
  Ga            9.24969           10.18051            2.21359
  Ga           11.39997           12.55761            5.51655
  Ga           12.27140           13.41979           12.90589
  Ga            8.83113            9.89497           12.19053
  Ga           12.71242           13.86978            3.61572
  Ga           10.73673           16.98683            7.67340
  Ga           12.48473           15.22985            6.73480
  Ga           14.45937           13.05734           10.88963
  Ga            9.47911           15.47184            5.34752
  Ga           20.32707           13.94538            1.21586
  Ga           18.84104           13.60672           12.98803
  Ga           13.70334           15.50966           13.27672
  Ga           15.29599           12.98072            2.74193
  Ga           12.01403            9.60120            1.51119
  Ga           12.94141           11.14940           11.86117
  Ga           12.69124           11.08100            9.29827
  Ga           14.23233           13.91741            0.37738
  Ga           15.07193            7.84509            8.66955
  Ga           14.24289           10.42361            3.30824
  Ga           17.02877           12.86503           10.79372
  Ga           22.43994           17.94370            1.75909
  Ga           11.07558           13.37166            8.26341
  Ga           12.11362           14.81615           10.51923
  Ga           16.31856           14.78825           13.20251
  Ga           19.25969           16.48523            2.03574
  Ga           14.71058           11.96138            5.32422
  Ga           11.85897           18.80473            5.94782
  Ga           14.59147           15.78112           10.45770
  Ga           13.27400            7.83142            6.68270
  Ga           19.64822           11.66905            3.44260
  Ga           17.18006           10.43316            7.10643
  Ga           15.75376           10.50559            9.92871
  Ga           16.69665           13.12002           0.00000
  Ga           19.30252           11.11040           11.89580
  Ga           17.08482           13.27196            7.94150
  Ga           14.43505           10.24384            7.23506
  Ga           17.98367           13.67273            2.51189
  Ga           17.42612           12.06495            4.75776
  Ga           15.06528           14.46906            5.63504
  Ga           14.21451           13.32228            8.15626
  Ga           22.69473           14.72762            2.78236
  Ga           19.48220           13.04249            9.52289
  Ga           15.87690           17.60556           13.74049
  Ga           17.28183           15.33474           10.43298
  Ga           21.28246           11.29759            1.36545
  Ga           17.42910            9.02988            4.24793
  Ga           20.12740            9.22543            4.98976
  Ga           25.21430            7.01685            8.69799
  Ga           17.45745           11.02978            1.67952
  Ga           23.03340            9.00818            4.34539
  Ga           25.27589           10.87400            5.22561
  Ga           23.03875            7.32674           10.44145
  Ga           19.47250            8.88304            1.55614
  Ga           22.81561           11.67183            3.74708
  Ga           22.32171           15.45323            9.29603
  Ga           22.63163           12.50419            8.24364
  Ga           20.75557           14.96077            4.51834
  Ga           19.54432           12.92408            6.42792
  Ga           13.82029           17.28474            7.67349
  Ga           21.75148           12.65672           10.93120
  S           12.38421            9.91927           44.84912
  C           11.42067            8.47970           44.36343
  C           11.34431            7.63154           45.68846
  C           11.41242            8.53537           46.91567
  C           11.63111            9.95461           46.55659
  O           13.80915            9.55177           45.01177
  O           11.90551           10.97450           43.94930
  H           10.44329            8.84237           44.04517
  H           11.92305            8.04450           43.49954
  H           10.41814            7.05682           45.69231
  H           12.05936            6.81316           45.77245
  H           10.43676            8.52070           47.40145
  H           12.04593            8.18188           47.72918
  H           12.35189           10.50874           47.15786
  H           10.68021           10.48689           46.53285
  S            5.22612           10.34351           39.50277
  C            4.22673           11.73780           38.67618
  C            3.02318           11.06221           38.01805
  C            2.53116           10.05584           39.11080
  C            3.79287            9.21752           39.46617
  O            6.24981            9.83234           38.60751
  O            5.55042           10.78703           40.88387
  H            3.82648           12.50677           39.33693
  H            4.86516           12.28091           37.97938
  H            2.28377           11.76036           37.62568
  H            3.35322           10.43838           37.18738
  H            2.02951           10.52557           39.95685
  H            1.76875            9.41467           38.66839
  H            3.97412            8.64350           38.55745
  H            3.79385            8.54910           40.32717
  S            3.58380           20.23537           51.42612
  C            2.12417           20.79255           50.44646
  C            1.69324           19.59671           49.58181
  C            1.69476           18.43348           50.56610
  C            3.01488           18.51379           51.44944
  O            4.82436           20.41131           50.68486
  O            3.44924           20.83875           52.77457
  H            1.41896           21.04710           51.23765
  H            2.49271           21.68405           49.93900
  H            0.67876           19.70440           49.19798
  H            2.35848           19.41468           48.73775
  H            0.79083           18.45086           51.17494
  H            1.62309           17.53370           49.95505
  H            3.86235           17.95094           51.05816
  H            2.95984           18.22337           52.49859
  S            6.79961           16.50371           39.94736
  C            7.12742           16.79726           38.19588
  C            5.73953           16.79707           37.40988
  C            4.95612           15.72044           38.14841
  C            5.35066           15.36560           39.61081
  O            7.84225           15.73633           40.62491
  O            6.17532           17.64734           40.56283
  H            7.81333           17.64037           38.11340
  H            7.64126           15.88292           37.89914
  H            5.24692           17.75340           37.23416
  H            6.04095           16.47798           36.41217
  H            3.88729           15.93416           38.15335
  H            5.05963           14.79322           37.58481
  H            5.73758           14.36922           39.82442
  H            4.60694           15.71798           40.32553
  S           12.71627            9.01093           23.91489
  C           12.39527            8.59784           25.67331
  C           12.87786            9.78069           26.48610
  C           13.84731           10.61367           25.63808
  C           13.22648           10.77095           24.25241
  O           13.92540            8.36015           23.43672
  O           11.49871            8.94995           23.08849
  H           11.30791            8.52905           25.70537
  H           13.03128            7.77170           25.99126
  H           12.01802           10.41528           26.70073
  H           13.40067            9.41307           27.36907
  H           13.97305           11.59502           26.09552
  H           14.85301           10.23253           25.46091
  H           13.74128           11.27841           23.43658
  H           12.24680           11.24615           24.30269
  S            5.18968           17.26166           47.07470
  C            6.27005           17.66571           45.60697
  C            5.42050           17.43327           44.39111
  C            3.93434           17.73602           44.68318
  C            3.64072           17.15125           46.03185
  O            5.54366           15.90325           47.55127
  O            5.04701           18.43927           47.92070
  H            6.49512           18.72068           45.76341
  H            7.17547           17.08542           45.78467
  H            5.74808           18.02096           43.53355
  H            5.41454           16.36051           44.19810
  H            3.86224           18.82237           44.73540
  H            3.18161           17.41393           43.96362
  H            3.48764           16.09585           45.80645
  H            2.76862           17.51165           46.57742
  S           21.81352           12.46869           19.94766
  C           20.74644           13.96306           19.45120
  C           21.79343           14.98377           19.08983
  C           22.91737           14.36296           18.25748
  C           23.16884           12.89756           18.69472
  O           22.19747           12.80359           21.31066
  O           21.19919           11.19602           19.61407
  H           20.10615           13.65222           18.62567
  H           20.18114           14.20611           20.35091
  H           21.26677           15.81806           18.62649
  H           22.31112           15.30766           19.99271
  H           22.52716           14.25453           17.24551
  H           23.82400           14.96575           18.20487
  H           24.15305           12.54629           19.00462
  H           22.90667           12.28490           17.83217
  S           12.19933            4.61556           26.78946
  C           12.92609            2.97873           27.07520
  C           13.78511            2.85512           28.40171
  C           14.02151            4.34648           28.88200
  C           13.55793            5.38110           27.73399
  O           12.29150            5.05651           25.38048
  O           10.94337            4.82923           27.50491
  H           12.06514            2.34523           26.86182
  H           13.54351            2.81361           26.19223
  H           13.20465            2.33963           29.16685
  H           14.74242            2.34996           28.27336
  H           13.38435            4.50184           29.75263
  H           15.06725            4.57992           29.08207
  H           14.33569            5.45157           26.97358
  H           13.26189            6.39318           28.00995
  S           22.40151           11.58800           29.24927
  C           24.09047           10.83280           29.47055
  C           24.22642           11.12590           30.97321
  C           23.05314           10.49322           31.56534
  C           21.82350           10.96206           30.79500
  O           22.51774           13.01189           29.26455
  O           21.78973           10.85963           28.15449
  H           24.06552            9.75455           29.31288
  H           24.87130           11.30077           28.87105
  H           25.03520           10.54163           31.41208
  H           24.33683           12.16414           31.28620
  H           23.24741            9.42290           31.49615
  H           23.05141           10.65037           32.64395
  H           21.10981           11.54115           31.38099
  H           21.21530           10.11049           30.48999
  S           22.50104            9.71018           52.18772
  C           20.86143            9.41156           53.10176
  C           19.72386            9.81057           52.09494
  C           20.31400           10.52467           50.87047
  C           21.66369            9.84620           50.52705
  O           23.12231           11.00622           52.42688
  O           23.37038            8.51722           52.18834
  H           20.88768            8.33057           53.23911
  H           20.83624           10.12445           53.92592
  H           19.31979            8.88074           51.69464
  H           18.90869           10.35407           52.57265
  H           19.67802           10.44943           49.98844
  H           20.32276           11.57416           51.16473
  H           22.27531           10.28835           49.74059
  H           21.43389            8.82461           50.22434
  S            9.98822           15.67576           19.94397
  C           11.04500           15.35336           21.47733
  C           11.44238           16.73287           22.02036
  C           11.56800           17.63942           20.76768
  C           10.23856           17.48137           19.99600
  O           10.61658           15.04365           18.79220
  O            8.57216           15.36757           20.25839
  H           10.55186           14.68859           22.18655
  H           11.94429           14.90497           21.05504
  H           10.71080           17.07342           22.75311
  H           12.45094           16.79431           22.42916
  H           11.61183           18.65409           21.16343
  H           12.44554           17.50297           20.13569
  H           10.27800           17.70720           18.93038
  H            9.38256           17.92850           20.50141
  S           21.93355            3.24794           23.89610
  C           22.16670            4.91509           24.68161
  C           23.73260            4.91342           25.03846
  C           24.38762            4.41063           23.70746
  C           23.62223            3.27817           23.08129
  O           21.92565            2.23394           24.93935
  O           20.89707            3.21651           22.85804
  H           21.91895            5.57848           23.85299
  H           21.50780            5.10981           25.52780
  H           24.04857            5.84914           25.49966
  H           23.82552            4.20793           25.86415
  H           24.41012            5.28447           23.05630
  H           25.41506            4.08190           23.86364
  H           23.98888            2.25536           22.99457
  H           23.43477            3.56948           22.04780
  S           21.01774            6.94655           19.89639
  C           21.93363            5.33912           19.86411
  C           23.42855            5.74016           19.93303
  C           23.56471            7.06554           19.26137
  C           22.54983            7.95268           19.89445
  O           20.27417            6.99229           18.64639
  O           20.39680            7.16420           21.20247
  H           21.58649            4.69582           20.67267
  H           21.60632            4.79461           18.97840
  H           23.75544            5.83434           20.96858
  H           24.05232            5.01252           19.41384
  H           24.56050            7.48410           19.40730
  H           23.43344            7.04622           18.17947
  H           22.32175            8.97675           19.59890
  H           22.77586            8.11154           20.94886
  S            9.56506           13.54817           44.58606
  C            8.49752           12.07688           44.01455
  C            8.40081           12.27161           42.52193
  C            9.72906           12.78429           42.04495
  C           10.17295           13.98475           42.87762
  O            8.67107           14.61858           45.06754
  O           10.64336           13.06899           45.46053
  H            9.19211           11.25221           44.17444
  H            7.58025           12.02889           44.60142
  H            8.20561           11.29791           42.07258
  H            7.68206           13.08042           42.39032
  H           10.37184           11.90421           42.02484
  H            9.68221           13.06541           40.99287
  H            9.63961           14.89774           42.61287
  H           11.24149           14.19280           42.93269
  S            6.60501           12.39085           23.62579
  C            7.40187           10.72915           23.78507
  C            8.82817           10.97207           23.28901
  C            9.26117           12.39805           23.50724
  C            8.15196           13.26613           23.04079
  O            5.64640           12.41817           22.52862
  O            6.20980           12.83082           24.97092
  H            7.47916           10.42237           24.82815
  H            6.75494            9.99196           23.30953
  H            9.54862           10.31016           23.76954
  H            8.95295           10.62868           22.26206
  H            9.32820           12.58620           24.57878
  H           10.27048           12.69733           23.22471
  H            8.23580           13.25783           21.95405
  H            8.03165           14.28628           23.40538
  S            7.35484            6.19899           27.02736
  C            5.63358            5.64132           26.79630
  C            5.76142            4.08252           26.54862
  C            6.97354            3.93561           25.57454
  C            8.03521            4.77243           26.22506
  O            7.74611            7.31486           26.18323
  O            7.76196            6.18786           28.41241
  H            5.00395            5.87432           27.65500
  H            5.31001            6.11798           25.87099
  H            5.84308            3.51468           27.47544
  H            4.86041            3.64408           26.11961
  H            7.29440            2.89410           25.55449
  H            6.69306            4.32543           24.59604
  H            8.97894            5.09664           25.78648
  H            8.24682            4.14667           27.09210
  S            9.33148           16.55279           33.60449
  C            7.54583           16.23469           34.04244
  C            6.77641           15.80271           32.82534
  C            7.54182           16.34097           31.63320
  C            9.08060           16.11468           31.85274
  O            9.54665           17.97791           33.72221
  O           10.12970           15.53702           34.27646
  H            7.55570           15.47253           34.82161
  H            7.16085           17.18384           34.41528
  H            6.95012           14.72699           32.79777
  H            5.69998           15.97082           32.85926
  H            7.30088           15.82471           30.70394
  H            7.52734           17.42545           31.52455
  H            9.85870           16.55886           31.23196
  H            9.31836           15.05330           31.78175
  S           17.25640           10.97210           19.57813
  C           18.00031            9.27696           19.57774
  C           16.96135            8.37463           20.36045
  C           15.61628            8.90110           20.04971
  C           15.63301           10.47390           20.26247
  O           17.98137           11.74838           20.60864
  O           17.16959           11.43167           18.25718
  H           17.91039            9.10979           18.50439
  H           19.05684            9.34503           19.83697
  H           17.16132            7.36288           20.00764
  H           17.25566            8.26503           21.40423
  H           15.24987            8.51015           19.10049
  H           14.93353            8.38920           20.72789
  H           15.57951           10.62865           21.34011
  H           14.86306           11.10659           19.82090
  S           11.80976           11.65315           19.64727
  C           11.83786            9.77719           19.81519
  C           10.35206            9.39773           19.49364
  C            9.63806           10.37990           18.49399
  C           10.06208           11.79620           18.88639
  O           11.63329           12.34713           20.92890
  O           12.79099           12.11273           18.64289
  H           12.57256            9.39633           19.10578
  H           12.14510            9.37349           20.77994
  H           10.29410            8.39482           19.07067
  H            9.80327            9.36485           20.43483
  H           10.07677           10.47058           17.50030
  H            8.57454           10.30031           18.26885
  H            9.47445           12.24048           19.68977
  H           10.07181           12.47322           18.03220
  S           10.93404            5.41354           31.75805
  C           11.05011            6.63827           30.27715
  C           10.53285            7.90544           30.98418
  C            9.38082            7.58356           32.02353
  C            9.36036            6.08756           32.53970
  O           10.66200            4.10639           31.26561
  O           12.06880            5.60109           32.64847
  H           12.09774            6.73122           29.99088
  H           10.39793            6.26758           29.48636
  H           11.38850            8.33511           31.50510
  H           10.19749            8.57333           30.19073
  H            9.71627            8.13632           32.90105
  H            8.38338            7.94292           31.77042
  H            8.47488            5.60048           32.13132
  H            9.36015            5.89700           33.61292
  S            4.70776           10.40009           54.64400
  C            4.71673           11.70027           53.29744
  C            5.45603           12.95906           53.84575
  C            6.39378           12.29630           54.86002
  C            5.48724           11.53111           55.81664
  O            3.37409           10.07870           55.05626
  O            5.63066            9.34240           54.27303
  H            5.18258           11.17025           52.46667
  H            3.68901           11.82746           52.95729
  H            5.99413           13.52066           53.08210
  H            4.74107           13.69910           54.20529
  H            7.11418           11.66715           54.33724
  H            6.87560           13.07206           55.45511
  H            4.77510           12.26567           56.19265
  H            5.88663           11.08205           56.72600
  S           16.17235           17.09750           25.64499
  C           15.91282           15.34867           25.29141
  C           14.73443           14.96183           26.20213
  C           13.68735           16.09736           26.21646
  C           14.41122           17.48030           26.14561
  O           17.04360           17.25551           26.76022
  O           16.52660           17.72297           24.37249
  H           15.74780           15.10776           24.24125
  H           16.83600           14.80498           25.49204
  H           14.34763           13.98724           25.90438
  H           14.97369           14.85071           27.25973
  H           13.03369           15.97413           25.35295
  H           13.09237           16.06345           27.12912
  H           14.51370           18.12875           27.01574
  H           13.98171           18.05881           25.32773
  S           16.94897           21.15304           26.64685
  C           17.94725           21.73024           28.07368
  C           19.35914           21.23039           27.77350
  C           19.36758           20.10918           26.72766
  C           18.33913           20.43670           25.69512
  O           16.12297           19.95053           26.93319
  O           16.34686           22.29953           25.99176
  H           17.94471           22.81907           28.12418
  H           17.54543           21.34010           29.00878
  H           19.85033           22.08686           27.31167
  H           20.01127           20.82307           28.54611
  H           20.30459           20.18119           26.17546
  H           19.27421           19.10084           27.13093
  H           17.82772           19.68105           25.09884
  H           18.66525           21.29587           25.10897
  S           21.58872           21.28266           19.19923
  C           22.53570           20.23439           18.01450
  C           22.42817           18.80286           18.63311
  C           22.03668           18.75603           20.07151
  C           20.96755           19.91318           20.20447
  O           22.63445           22.06763           19.89540
  O           20.49206           22.04215           18.56133
  H           21.97452           20.24326           17.08010
  H           23.52628           20.62121           17.77530
  H           21.73679           18.20488           18.03938
  H           23.27774           18.12125           18.59119
  H           21.64414           17.78934           20.38699
  H           22.94210           18.92160           20.65537
  H           20.58062           20.24691           21.16728
  H           20.07473           19.67650           19.62572
  S           18.30761           19.44501           53.09965
  C           16.64824           19.04436           52.41278
  C           15.74971           20.26592           52.62903
  C           16.60628           21.45689           52.50444
  C           17.88424           21.23849           53.39531
  O           18.55727           18.74065           54.35514
  O           19.28047           19.44635           51.97613
  H           16.88199           18.89787           51.35827
  H           16.30915           18.07335           52.77368
  H           15.00999           20.25793           51.82850
  H           15.31973           20.18996           53.62775
  H           16.94507           21.63667           51.48414
  H           16.03673           22.32137           52.84561
  H           17.69256           21.30054           54.46653
  H           18.76852           21.81722           53.12843
  S            4.30967            6.62834           31.81225
  C            6.03692            6.35164           31.14759
  C            6.07750            4.84959           30.82584
  C            4.67101            4.26985           30.70664
  C            3.78265            4.79111           31.84784
  O            4.30864            7.08182           33.22692
  O            3.56341            7.40731           30.79549
  H            6.09517            7.06074           30.32183
  H            6.62290            6.66915           32.01010
  H            6.72297            4.63607           29.97385
  H            6.51189            4.35181           31.69280
  H            4.27552            4.63769           29.75986
  H            4.82685            3.19309           30.64042
  H            4.10737            4.52423           32.85354
  H            2.69433            4.73228           31.83371
  S           10.88644            4.56200           43.05216
  C           12.73373            4.75383           43.03984
  C           13.15136            3.95627           44.26743
  C           12.18213            2.82761           44.48111
  C           10.79388            3.37461           44.40758
  O           10.24676            5.75770           43.63882
  O           10.55173            3.93938           41.78499
  H           12.92287            4.29562           42.06908
  H           12.85954            5.83091           43.15011
  H           14.18996            3.62882           44.31427
  H           13.20346            4.71382           45.04943
  H           12.47099            1.94288           43.91374
  H           12.28111            2.56319           45.53391
  H           10.62604            3.96949           45.30538
  H            9.90259            2.75777           44.29259
  S           16.03242           19.49976           48.52430
  C           17.05066           21.13262           48.50318
  C           17.28865           21.38011           47.04710
  C           16.02784           21.03342           46.22256
  C           15.82231           19.60539           46.65576
  O           16.88616           18.32864           48.84026
  O           14.73406           19.71398           49.23567
  H           16.58648           21.95765           49.04351
  H           17.97642           20.89387           49.02670
  H           17.58378           22.42386           46.93943
  H           18.14396           20.84831           46.63029
  H           15.25956           21.78885           46.38740
  H           16.26238           20.92337           45.16380
  H           16.56008           18.90791           46.25914
  H           14.86158           19.12673           46.46604
  S            3.02265            9.06004           25.31387
  C            2.95410           10.91234           25.24900
  C            2.19171           11.33234           23.93250
  C            2.01621           10.13186           22.99823
  C            1.83456            8.91683           23.92381
  O            4.30310            8.50655           24.92301
  O            2.41036            8.54755           26.57068
  H            2.60001           11.24594           26.22442
  H            3.96466           11.30770           25.14625
  H            1.23492           11.74755           24.24916
  H            2.68859           12.16641           23.43699
  H            1.06480           10.16935           22.46766
  H            2.85204           10.07090           22.30126
  H            1.96432            7.86807           23.65664
  H            0.85976            9.11732           24.36841
  S           18.59102           19.08649           37.40432
  C           18.94078           18.76755           35.59424
  C           18.90760           17.26186           35.46238
  C           19.55176           16.69583           36.76444
  C           18.79489           17.30191           37.87868
  O           19.68024           19.92981           37.85138
  O           17.24682           19.58859           37.61118
  H           18.21071           19.28036           34.96805
  H           19.95029           19.02918           35.27716
  H           17.87963           16.90729           35.38718
  H           19.50771           17.02913           34.58272
  H           19.53429           15.61657           36.91602
  H           20.59472           17.01200           36.74534
  H           19.28505           17.20622           38.84754
  H           17.79626           16.88759           38.01722
  S           12.01219           16.73788           36.85885
  C           12.56118           17.68554           35.40042
  C           13.66597           18.65383           35.73381
  C           13.50641           18.99459           37.27114
  C           13.22443           17.65541           37.94122
  O           10.61126           17.04912           37.23328
  O           12.44479           15.34901           36.79442
  H           12.68542           16.97590           34.58246
  H           11.73754           18.29624           35.03060
  H           14.66469           18.30030           35.47751
  H           13.56612           19.55625           35.13067
  H           14.40153           19.38668           37.75398
  H           12.76504           19.71520           37.61639
  H           12.91582           17.63636           38.98644
  H           14.11579           17.06384           37.73235
  S           16.37077           17.52347           40.94681
  C           15.63438           17.25634           42.59570
  C           15.35849           18.60614           43.21464
  C           14.83854           19.52120           42.07186
  C           15.63194           19.25168           40.76258
  O           17.83453           17.62200           40.95373
  O           15.73179           16.56596           40.02783
  H           14.60452           16.96049           42.39580
  H           16.26176           16.53884           43.12456
  H           14.72851           18.67435           44.10153
  H           16.29486           18.99329           43.61643
  H           13.81791           19.23404           41.81899
  H           14.87894           20.57697           42.33987
  H           16.50969           19.88218           40.62068
  H           15.08302           19.37250           39.82868
  S            8.86474            3.17043           47.87576
  C            7.62682            1.90525           47.60002
  C            6.97927            1.59543           49.00735
  C            7.96895            1.99209           50.09737
  C            8.52555            3.34266           49.68965
  O           10.11620            2.55400           47.50564
  O            8.43709            4.36231           47.17466
  H            6.86452            2.40401           47.00148
  H            8.09620            1.04637           47.12033
  H            6.13001            2.26921           49.12082
  H            6.57867            0.59965           49.19717
  H            7.49966            2.02009           51.08077
  H            8.75544            1.23747           50.10670
  H            9.36313            3.70691           50.28452
  H            7.80487            4.16004           49.71479
  S           13.05518           18.13953           31.58595
  C           13.60665           17.87692           29.80832
  C           14.89635           17.05185           29.96650
  C           15.56248           17.41553           31.21759
  C           14.54795           17.38777           32.32708
  O           12.97803           19.57570           31.76568
  O           11.88849           17.36804           32.00228
  H           12.80294           17.47656           29.19037
  H           14.02487           18.83846           29.51061
  H           14.58203           16.01614           30.09536
  H           15.64829           17.02838           29.17775
  H           16.37346           16.70710           31.38647
  H           15.97040           18.42355           31.14270
  H           14.67521           17.99697           33.22194
  H           14.23901           16.36922           32.56202
  S            8.47207           10.83207           29.08900
  C            7.00734           11.87813           28.52329
  C            5.72446           10.93013           28.42942
  C            6.41443            9.66435           27.96194
  C            7.51345            9.27630           28.89314
  O            9.49727           10.87680           28.00800
  O            8.85655           11.06137           30.52036
  H            6.95065           12.68984           29.24855
  H            7.22848           12.39997           27.59223
  H            5.29112           10.62793           29.38283
  H            5.00493           11.38419           27.74810
  H            5.70938            8.84335           27.83168
  H            6.80907            9.97287           26.99386
  H            8.11602            8.47371           28.46787
  H            7.18740            9.14614           29.92506
  S           16.08817            1.60198           32.01624
  C           14.54095            2.28038           32.89625
  C           14.94055            3.66955           33.27057
  C           16.21107            4.25512           32.56754
  C           17.13272            3.08711           32.16552
  O           16.65437            0.46127           32.72830
  O           15.74011            1.48809           30.58913
  H           13.71838            2.31252           32.18179
  H           14.35939            1.56756           33.70063
  H           13.99122            4.15861           33.05218
  H           15.10058            3.57605           34.34470
  H           15.75587            4.64067           31.65527
  H           16.61949            5.02695           33.21990
  H           17.71031            2.76404           33.03160
  H           17.66284            3.14046           31.21461
  S           17.22416            7.40763           48.28858
  C           18.53454            7.26105           46.96000
  C           17.87506            7.57215           45.57088
  C           16.38738            7.85975           45.78512
  C           15.87310            7.26606           47.09508
  O           17.20039            6.23872           49.19443
  O           17.33571            8.77229           48.75760
  H           19.38503            7.88159           47.24229
  H           18.91868            6.24237           47.01322
  H           18.38691            8.33131           44.97945
  H           17.83916            6.84000           44.76418
  H           16.31262            8.94162           45.89504
  H           15.80204            7.63257           44.89413
  H           15.62168            6.21230           46.97475
  H           14.95815            7.69490           47.50383
  S            6.30740            1.69355           39.62975
  C            6.93361            3.43111           40.09378
  C            7.39743            3.38003           41.55333
  C            6.47694            2.37162           42.19435
  C            6.31096            1.04562           41.37327
  O            4.94082            1.81358           39.06333
  O            7.28597            0.93475           38.87093
  H            7.67880            3.68644           39.34039
  H            6.08897            4.10852           39.96808
  H            8.37105            2.89009           41.54258
  H            7.37452            4.32000           42.10471
  H            6.90429            2.16855           43.17631
  H            5.50842            2.80865           42.43739
  H            5.39590            0.47302           41.52453
  H            7.15448            0.36360           41.48014
  S           16.03796           14.67324           35.14649
  C           17.35265           13.43524           35.39972
  C           16.77552           12.07172           35.09568
  C           15.18917           12.11207           34.96054
  C           14.59927           13.53893           35.33704
  O           15.98621           15.75795           36.12313
  O           16.11823           15.05083           33.74366
  H           18.32131           13.72658           34.99362
  H           17.43179           13.29961           36.47835
  H           17.16848           11.61278           34.18846
  H           17.09990           11.37520           35.86882
  H           15.04514           11.75308           33.94148
  H           14.69804           11.32215           35.52880
  H           14.41780           13.73923           36.39299
  H           13.80044           13.97150           34.73466
  S            3.85891           15.78786           20.46935
  C            3.22187           15.01455           22.02650
  C            4.04900           15.48936           23.15315
  C            5.18701           16.40863           22.64420
  C            5.57036           15.96816           21.21675
  O            3.96221           14.77273           19.41657
  O            3.14103           17.06688           20.28166
  H            2.16361           15.27434           22.05314
  H            3.51824           13.98997           21.80181
  H            3.43252           15.97322           23.91074
  H            4.45715           14.65068           23.71719
  H            4.79042           17.41880           22.54233
  H            6.03425           16.40132           23.32993
  H            6.16503           15.05696           21.15210
  H            6.12113           16.60737           20.52671
  S            4.97164            4.65539           51.60295
  C            6.08928            3.92305           52.87393
  C            6.11999            4.93022           54.08410
  C            4.80963            5.71230           54.07199
  C            4.50199            6.08554           52.66410
  O            5.81266            5.12171           50.49960
  O            3.80894            3.78615           51.28623
  H            5.64779            2.97083           53.16794
  H            6.93228            3.61833           52.25377
  H            6.21208            4.39156           55.02721
  H            6.96839            5.61449           54.07408
  H            3.99097            5.12097           54.48215
  H            4.78384            6.58106           54.72979
  H            5.16173            6.89618           52.35475
  H            3.48008            6.36133           52.40384
  S           13.36433           12.32767           30.55721
  C           12.23748           11.03399           31.08819
  C           11.55471           11.44821           32.43535
  C           11.40197           12.98740           32.41954
  C           12.69956           13.64347           31.78090
  O           14.72373           11.97671           30.85699
  O           13.10086           12.73173           29.12004
  H           11.46344           10.97554           30.32298
  H           12.61703           10.03023           30.89711
  H           10.57806           10.99977           32.61743
  H           12.22363           11.22513           33.26654
  H           10.59332           13.30507           31.76131
  H           11.15386           13.41052           33.39293
  H           13.38711           14.03457           32.53084
  H           12.31862           14.52460           31.26456
  S            1.48526            1.75854           44.53156
  C            1.51132            1.87212           46.33596
  C            2.71400            2.78390           46.76676
  C            3.69952            2.88928           45.58763
  C            2.90316            2.85911           44.24978
  O            1.79353            0.40871           44.01733
  O            0.40775            2.52370           43.89067
  H            0.55700            2.32780           46.60001
  H            1.57945            0.84632           46.69817
  H            2.45405            3.78319           47.11598
  H            3.25821            2.35731           47.60935
  H            4.40768            3.70820           45.71401
  H            4.38128            2.04119           45.65130
  H            3.38466            2.52412           43.33107
  H            2.55146            3.85418           43.97731
  S           10.51210           19.69945           25.00744
  C            9.56936           21.31256           24.57549
  C           10.41493           22.20563           23.73392
  C           11.18667           21.23413           22.79514
  C           11.69363           20.15922           23.68052
  O           11.13630           19.76215           26.32596
  O            9.64362           18.61602           24.58273
  H            8.68350           21.09441           23.97903
  H            9.23738           21.72539           25.52810
  H            9.86934           23.00948           23.23971
  H           11.23605           22.67362           24.27693
  H           10.53120           20.91039           21.98666
  H           11.98133           21.81930           22.33234
  H           12.60695           20.49395           24.17236
  H           11.99011           19.23323           23.18784
  S           15.37425           14.48246           21.12116
  C           14.74209           14.75083           19.38946
  C           15.84030           14.37351           18.47248
  C           17.16232           14.72732           19.12786
  C           17.13240           14.72979           20.66979
  O           14.89905           15.52343           21.97829
  O           15.16027           13.09090           21.47376
  H           13.75211           14.30610           19.28823
  H           14.60672           15.83003           19.31798
  H           15.87956           13.28794           18.38256
  H           15.68649           14.74445           17.45914
  H           17.81007           13.86575           18.96593
  H           17.53321           15.62807           18.63880
  H           17.43754           15.74429           20.92626
  H           17.76159           14.00925           21.19233
  S           22.25664           17.17145           40.09583
  C           23.57792           17.48385           41.42260
  C           24.74482           18.28433           40.79968
  C           24.15795           19.08035           39.68834
  C           23.17989           18.22622           38.86549
  O           22.30236           15.73146           39.75042
  O           21.04255           17.76529           40.64133
  H           23.05506           17.97036           42.24602
  H           23.72372           16.48270           41.82825
  H           25.05400           18.86334           41.66988
  H           25.64746           17.78578           40.44643
  H           23.65910           19.94321           40.12962
  H           25.00883           19.46945           39.12914
  H           23.62253           17.47009           38.21708
  H           22.47444           18.80422           38.26855
  S           21.34882            4.17111           49.63313
  C           22.51325            4.58737           51.05555
  C           21.58757            5.14825           52.24931
  C           20.20577            5.47533           51.67946
  C           19.89581            4.36504           50.66913
  O           21.24130            5.19563           48.63373
  O           21.51096            2.76164           49.28007
  H           23.02021            3.74774           51.53107
  H           23.24004            5.27086           50.61654
  H           21.39388            4.29127           52.89442
  H           22.04672            5.98014           52.78339
  H           19.38545            5.51737           52.39598
  H           20.24747            6.41965           51.13666
  H           19.02410            4.40650           50.01605
  H           19.90385            3.38197           51.13989
  S            1.94949           13.14093           48.67634
  C            0.96891           14.12812           49.85593
  C            1.95654           14.49086           50.96619
  C            3.24986           14.85151           50.33072
  C            3.53259           13.66490           49.37576
  O            2.07120           11.71069           48.82308
  O            1.87403           13.69626           47.33432
  H            0.88614           15.01593           49.22900
  H            0.00000           13.63760           49.94922
  H            1.66154           15.23324           51.70777
  H            2.06789           13.65140           51.65249
  H            3.12485           15.79627           49.80166
  H            4.06627           14.97917           51.04155
  H            3.89026           12.82057           49.96505
  H            4.26222           13.98544           48.63213
  S            4.56643           15.44213           27.99422
  C            4.42854           16.89747           29.15052
  C            3.45060           16.43324           30.23120
  C            2.47830           15.45529           29.55981
  C            3.23347           14.43586           28.70027
  O            4.20741           15.87839           26.62456
  O            5.85536           14.74706           28.30777
  H            5.38962           17.16742           29.58820
  H            4.06524           17.77947           28.62309
  H            4.07987           15.89737           30.94180
  H            3.06982           17.27488           30.80978
  H            2.06328           14.91670           30.41174
  H            1.67357           15.95351           29.01917
  H            2.80700           13.94682           27.82445
  H            3.66728           13.57604           29.21079
  S           19.05181           14.35178           31.20843
  C           19.58911           14.27597           29.51690
  C           18.31320           14.28803           28.62893
  C           17.30794           13.36378           29.32136
  C           17.26478           13.67061           30.84278
  O           19.84194           13.38096           31.99669
  O           18.95477           15.71904           31.67751
  H           20.27682           15.06471           29.21188
  H           20.05937           13.29327           29.48137
  H           17.94873           15.31350           28.68965
  H           18.47748           14.00228           27.58996
  H           16.31210           13.53074           28.91084
  H           17.41602           12.30884           29.06935
  H           16.79945           13.00662           31.57126
  H           16.60570           14.50578           31.07986
  S           15.11765            8.11105           36.04972
  C           14.07990            8.46957           34.53656
  C           12.59555            8.09164           34.79574
  C           12.74663            6.82293           35.70351
  C           13.79697            7.10385           36.81395
  O           16.30793            7.28258           35.76618
  O           15.27692            9.32772           36.90904
  H           14.31326            9.47240           34.17884
  H           14.40787            7.70909           33.82790
  H           12.14814            8.94311           35.30851
  H           12.05671            7.98221           33.85459
  H           11.76172            6.70305           36.15482
  H           12.94133            5.97412           35.04799
  H           14.33076            6.28133           37.29002
  H           13.30163            7.77880           37.51193
  S           21.59901            8.20727           42.97265
  C           22.27173            7.93312           44.68447
  C           22.44601            6.44178           44.80113
  C           21.10922            5.85026           44.32788
  C           20.90943            6.43343           42.88231
  O           20.47348            9.16554           43.02252
  O           22.64396            8.31375           41.94596
  H           23.12067            8.59607           44.85148
  H           21.41054            8.17709           45.30651
  H           23.33742            6.14230           44.24995
  H           22.63809            6.08771           45.81396
  H           21.00256            4.76570           44.34911
  H           20.31466            6.17449           44.99994
  H           19.87098            6.56517           42.57840
  H           21.39898            5.96582           42.02804
  S           15.17592           15.57766           46.30189
  C           14.37795           14.40095           45.12830
  C           14.71867           12.99166           45.73156
  C           14.66073           13.06708           47.31789
  C           15.15941           14.48876           47.79992
  O           16.51970           15.87102           45.80715
  O           14.29038           16.67046           46.52401
  H           13.33521           14.70409           45.03390
  H           14.82680           14.52824           44.14320
  H           14.07870           12.18864           45.36589
  H           15.73617           12.69193           45.48065
  H           13.60127           13.00331           47.56604
  H           15.33117           12.26748           47.63294
  H           16.09285           14.54727           48.35972
  H           14.43188           14.86216           48.52060
  S           22.30660            8.47522           34.98159
  C           20.80993            9.35626           35.34883
  C           19.99363            8.33550           36.18356
  C           20.94468            7.76806           37.16753
  C           22.13961            7.26298           36.38129
  O           22.13161            7.79924           33.66891
  O           23.44519            9.41246           35.28376
  H           21.01741           10.21841           35.98266
  H           20.46050            9.67484           34.36674
  H           19.09198            8.77451           36.61063
  H           19.57664            7.60395           35.49142
  H           21.16419            8.62944           37.79837
  H           20.46178            6.90090           37.61802
  H           22.09430            6.22327           36.05716
  H           23.05139            7.33981           36.97362
  S           21.10404           16.13695           47.09373
  C           21.69944           16.18369           45.33455
  C           20.94854           17.25601           44.54172
  C           19.53230           17.17353           45.19689
  C           19.54108           17.00040           46.74296
  O           20.76951           14.75703           47.47824
  O           22.03176           16.98149           47.90511
  H           22.77775           16.34266           45.32578
  H           21.41873           15.17605           45.02801
  H           21.39486           18.24090           44.67911
  H           20.94581           16.99999           43.48222
  H           18.86190           17.98997           44.92842
  H           18.99691           16.28768           44.85521
  H           18.70778           16.33162           46.95846
  H           19.53872           17.86066           47.41233
  S            6.51379           17.74990           54.11196
  C            7.28973           16.12951           53.68678
  C            7.09088           16.09626           52.11357
  C            7.49284           17.49487           51.50284
  C            7.19185           18.51937           52.59029
  O            5.06237           17.65283           53.93540
  O            7.12591           18.23791           55.35345
  H            8.31865           16.42106           53.89751
  H            6.86072           15.36573           54.33539
  H            7.75701           15.38391           51.62682
  H            6.08511           15.82009           51.79695
  H            8.55305           17.56213           51.25884
  H            7.05640           17.63637           50.51410
  H            6.68601           19.46503           52.39548
  H            8.14272           18.93194           52.92753
  S           23.65152           15.30309           33.66030
  C           22.92757           13.65150           33.49205
  C           21.76479           13.68789           34.59861
  C           22.44107           14.21509           35.89241
  C           23.19353           15.48444           35.46025
  O           25.12326           15.22300           33.46534
  O           22.79219           16.18873           32.86434
  H           22.58313           13.51448           32.46702
  H           23.69174           12.89402           33.66635
  H           20.95070           14.35502           34.31522
  H           21.33967           12.69147           34.71910
  H           21.64070           14.47650           36.58464
  H           23.15103           13.51206           36.32807
  H           24.04497           15.52844           36.13936
  H           22.58739           16.37596           35.62115
  S            4.48688            8.84956           48.10226
  C            4.80232            7.01952           48.28394
  C            3.46489            6.25849           48.13992
  C            2.32527            7.29552           48.30698
  C            2.72066            8.68699           47.75310
  O            4.67098            9.43674           49.43156
  O            5.20085            9.36054           46.96281
  H            5.63289            6.81388           47.60869
  H            5.17867            6.99287           49.30656
  H            3.41077            5.88949           47.11571
  H            3.30708            5.39578           48.78718
  H            1.48368            6.79565           47.82744
  H            2.10705            7.32336           49.37455
  H            2.35560            9.68326           48.00268
  H            2.73869            8.61577           46.66558
  S           20.58002           20.02257           31.78843
  C           21.94592           20.10074           30.61064
  C           22.20399           18.66658           29.96658
  C           20.96779           17.79657           30.39063
  C           19.73075           18.72998           30.84412
  O           21.00814           19.45422           33.09398
  O           19.94066           21.32974           31.74459
  H           21.64623           20.91135           29.94641
  H           22.74093           20.58249           31.17983
  H           22.26307           18.61900           28.87922
  H           23.08522           18.13627           30.32755
  H           20.57956           17.14133           29.61086
  H           21.11774           17.10013           31.21561
  H           18.85355           18.43973           31.42238
  H           19.22290           19.29130           30.05984
  S           11.22636            7.65513           39.90757
  C           10.61699            6.04370           39.19252
  C            9.06127            6.09685           39.31647
  C            8.60677            7.48012           39.70432
  C            9.65772            8.14974           40.70090
  O           12.25910            7.33293           40.89476
  O           11.50137            8.63545           38.86676
  H           11.04240            5.91131           38.19774
  H           10.98419            5.33597           39.93575
  H            8.52326            5.73435           38.44054
  H            8.78653            5.36215           40.07333
  H            8.45583            8.19107           38.89200
  H            7.61452            7.45572           40.15482
  H            9.62586            7.78584           41.72786
  H            9.59277            9.23685           40.65530
  S           22.20731            3.60307           34.15573
  C           20.54517            4.55310           33.81723
  C           19.66176            4.08933           34.99108
  C           19.89521            2.60195           35.11031
  C           21.37855            2.45336           35.44498
  O           22.61529            2.79418           33.00292
  O           23.19310            4.45952           34.76616
  H           20.88988            5.58581           33.87010
  H           20.15114            4.13606           32.89046
  H           19.71244            4.78289           35.83043
  H           18.66211            4.33679           34.63391
  H           19.23563            2.22540           35.89215
  H           19.68195            2.01147           34.21927
  H           21.76946            1.43650           35.48062
  H           21.72868            2.89308           36.37887
  S           18.17069            7.59921           40.29865
  C           16.84444            7.79099           39.15507
  C           15.48175            7.68913           39.97094
  C           15.72801            8.18163           41.38635
  C           17.18859            8.55842           41.58132
  O           18.33644            6.15444           40.67939
  O           19.37302            8.39007           39.91375
  H           16.95189            8.82265           38.82005
  H           16.99304            7.13741           38.29550
  H           14.66090            8.27187           39.55295
  H           15.16555            6.65755           39.81618
  H           15.06896            8.98162           41.72366
  H           15.50760            7.31080           42.00374
  H           17.82719            8.46741           42.45996
  H           17.30745            9.59609           41.26953
  S            8.22692           12.66891           37.27892
  C            8.75860           10.92343           36.97216
  C           10.08610           10.89890           36.24049
  C           10.49308           12.34699           35.92741
  C            9.89573           13.27491           37.02435
  O            7.42989           13.06320           36.12196
  O            7.76118           12.91388           38.66768
  H            8.83772           10.50981           37.97752
  H            7.85537           10.43929           36.60083
  H           10.92578           10.56796           36.85165
  H           10.00006           10.14127           35.46157
  H           11.56022           12.47554           35.74636
  H           10.10343           12.65611           34.95751
  H            9.92076           14.32683           36.73988
  H           10.46816           13.15767           37.94450
  S           20.21267           15.87831           23.60556
  C           21.30724           14.73351           24.45486
  C           21.10032           15.09846           25.90207
  C           21.03750           16.60357           26.06475
  C           20.32737           17.25350           24.82713
  O           20.83531           16.21392           22.33667
  O           18.84504           15.32757           23.56546
  H           21.13833           13.72302           24.08272
  H           22.34075           14.86920           24.13619
  H           20.09826           14.76685           26.17413
  H           21.79560           14.53997           26.52878
  H           20.54696           16.75256           27.02666
  H           22.03249           17.00767           26.25131
  H           20.98852           17.99523           24.37899
  H           19.28069           17.51317           24.98570
  S           14.06486            3.12234           38.98249
  C           15.55947            3.25895           40.10229
  C           16.81228            2.99520           39.22217
  C           16.56778            3.53637           37.83919
  C           15.15108            3.09458           37.47597
  O           13.34922            1.83040           39.12298
  O           13.31119            4.34685           39.06623
  H           15.55222            4.33239           40.29143
  H           15.37713            2.70150           41.02104
  H           17.73010            3.34108           39.69764
  H           16.98121            1.91850           39.20551
  H           16.63442            4.62409           37.81635
  H           17.28361            3.17713           37.09984
  H           15.31287            2.05221           37.20140
  H           14.62197            3.53481           36.63079
  S            6.21627            4.71661           35.58772
  C            4.40494            4.76376           35.91502
  C            4.21271            5.77535           37.03712
  C            5.29229            6.82269           36.99266
  C            6.41210            6.54317           35.95458
  O            6.89889            3.91222           36.63788
  O            6.48803            4.45217           34.16374
  H            3.89840            5.08051           35.00333
  H            4.06821            3.74974           36.13058
  H            3.30339            6.35112           36.86467
  H            4.13257            5.13729           37.91721
  H            4.81571            7.75595           36.69267
  H            5.68469            6.94026           38.00276
  H            7.47182            6.71546           36.14279
  H            6.16753            7.01548           35.00316
  S           10.16370            7.07416           52.30804
  C           10.02015            7.75207           50.55161
  C            8.52875            7.63143           50.27007
  C            7.82978            8.14388           51.52366
  C            8.37591            7.32540           52.68291
  O           10.59328            5.66113           52.33760
  O           10.94336            8.11662           53.01860
  H           10.33366            8.79139           50.64974
  H           10.65586            7.20408           49.85615
  H            8.32347            8.26371           49.40624
  H            8.23920            6.62270           49.97558
  H            8.19833            9.16214           51.64788
  H            6.75979            8.17030           51.31744
  H            8.10349            6.27535           52.57664
  H            8.19855            7.60940           53.72021
  S           19.50060           12.12807           38.66825
  C           19.09134           13.78148           39.35692
  C           19.17448           13.68888           40.92945
  C           20.50417           12.87610           41.11710
  C           20.41638           11.63244           40.22970
  O           18.23171           11.41165           38.55425
  O           20.36364           12.32156           37.50401
  H           19.87176           14.43077           38.96010
  H           18.15144           14.13997           38.93719
  H           19.10716           14.68736           41.36144
  H           18.36608           13.14140           41.41408
  H           21.34517           13.47589           40.76913
  H           20.65355           12.55384           42.14761
  H           19.73030           10.94005           40.71753
  H           21.21957           11.04085           39.79037
  S           17.95702           10.91210           25.62030
  C           17.71182           10.36938           23.88282
  C           18.98985           10.58122           23.12682
  C           20.11816           10.19002           24.13656
  C           19.80350           10.51439           25.61544
  O           17.88305           12.37522           25.76602
  O           17.21641           10.02364           26.49841
  H           17.57512            9.28799           23.88258
  H           16.84193           10.88700           23.47851
  H           18.96755           10.05312           22.17356
  H           19.14550           11.64089           22.92439
  H           20.30988            9.12486           24.00703
  H           21.00891           10.76190           23.87654
  H           20.38858           11.32553           26.04886
  H           19.96763            9.67242           26.28794
  S            6.17065            9.92241           33.19299
  C            6.75622           11.65973           33.29166
  C            5.52150           12.49516           33.80585
  C            4.78440           11.58836           34.88942
  C            4.69264           10.16751           34.22169
  O            5.71875            9.72281           31.79719
  O            7.21217            9.06678           33.78659
  H            7.49969           11.57946           34.08469
  H            7.33351           11.92194           32.40505
  H            5.74876           13.50214           34.15579
  H            4.74187           12.64144           33.05827
  H            5.38728           11.56623           35.79725
  H            3.83005           11.99541           35.22353
  H            3.84787           10.09014           33.53723
  H            4.39058            9.32177           34.83941
  S           20.40248           11.15345           47.02615
  C           18.60781           11.59207           46.72396
  C           18.67369           12.80935           45.82654
  C           19.73158           12.38634           44.79386
  C           20.96951           11.92586           45.49348
  O           20.86152           11.92312           48.14194
  O           20.71548            9.74503           46.93495
  H           18.12435           10.73702           46.25146
  H           18.29813           11.66687           47.76636
  H           17.69334           12.98462           45.38348
  H           19.00121           13.70800           46.34926
  H           19.33894           11.59152           44.15968
  H           19.86593           13.24897           44.14123
  H           21.52292           12.83839           45.71514
  H           21.69191           11.33008           44.93556
  S            8.52538           21.96461           55.19262
  C            9.75520           22.27260           53.87113
  C           10.87822           21.24291           53.90958
  C           10.99446           20.91509           55.41463
  C            9.51346           20.56975           55.78471
  O            8.54495           23.08924           56.09998
  O            7.31670           21.43263           54.57186
  H            9.19212           22.44995           52.95484
  H           10.12167           23.26316           54.14055
  H           10.67191           20.33613           53.34099
  H           11.80434           21.61963           53.47544
  H           11.63151           20.08880           55.73006
  H           11.17210           21.76575           56.07259
  H            9.28684           20.35754           56.82956
  H            9.27054           19.70150           55.17216
  S            5.87664           20.93617           21.73366
  C            4.91536           19.66429           20.76834
  C            4.37322           20.31441           19.49859
  C            4.00672           21.70079           19.99295
  C            5.21296           22.27576           20.64872
  O            5.34509           21.14328           23.07133
  O            7.28158           20.59658           21.45184
  H            5.60000           18.82832           20.62510
  H            4.17317           19.41337           21.52615
  H            5.23638           20.46335           18.84985
  H            3.50101           19.92250           18.97537
  H            3.55562           22.39276           19.28177
  H            3.38602           21.60672           20.88401
  H            5.07954           23.22194           21.17317
  H            5.98021           22.32188           19.87586
  S            9.32647           12.39851           50.70463
  C            7.54280           12.12365           50.57647
  C            7.21287           11.76996           49.03240
  C            8.32067           12.28211           48.19773
  C            9.62056           12.01360           48.95300
  O            9.63387           13.76594           51.10527
  O            9.73834           11.32165           51.58185
  H            7.39459           11.33651           51.31576
  H            7.11355           13.06898           50.90841
  H            6.93645           10.71749           48.96909
  H            6.28206           12.26282           48.75175
  H            8.35173           11.89551           47.17906
  H            8.27986           13.34398           47.95512
  H           10.49581           12.54507           48.57939
  H            9.81032           10.94108           48.99544
  S           10.03657           14.89221           28.40152
  C            8.83616           16.04364           27.65783
  C            8.73706           15.58622           26.22392
  C           10.06571           14.99611           25.84517
  C           10.40967           13.97154           26.86267
  O           11.15421           15.72421           28.79904
  O            9.39538           14.11152           29.44764
  H            7.95330           16.06288           28.29680
  H            9.32961           17.01180           27.74306
  H            8.01497           14.77009           26.24909
  H            8.34144           16.43996           25.67372
  H           10.08284           14.65911           24.80871
  H           10.76205           15.83074           25.76389
  H           11.41998           13.56371           26.83041
  H            9.77006           13.09258           26.78248
  S           12.79570            4.81855           48.75630
  C           12.89641            3.02142           49.35027
  C           13.01161            3.11049           50.88446
  C           13.78299            4.38421           51.30902
  C           13.52699            5.55897           50.34681
  O           13.67304            4.96931           47.57956
  O           11.43991            5.31259           48.64809
  H           12.03916            2.48329           48.94574
  H           13.80936            2.67737           48.86422
  H           11.97071            3.29393           51.15090
  H           13.24447            2.16596           51.37613
  H           13.73476            4.59562           52.37724
  H           14.85551            4.19048           51.29277
  H           14.49350            5.89586           49.97203
  H           13.06363            6.46208           50.74406
  S            9.67980           18.06884           48.13842
  C           10.95796           18.29783           46.77873
  C           10.97371           16.84766           46.24789
  C           10.91682           15.82376           47.43664
  C            9.80446           16.27810           48.34497
  O           10.12468           18.70933           49.32142
  O            8.37938           18.39961           47.59002
  H           10.72439           19.15256           46.14392
  H           11.92821           18.50902           47.22831
  H           10.07899           16.78182           45.62883
  H           11.79495           16.68284           45.55040
  H           10.79191           14.81895           47.03310
  H           11.87219           15.93324           47.94983
  H            9.89548           15.99762           49.39433
  H            8.87893           15.92222           47.89236
  S           20.31863            6.83339           30.29289
  C           20.16938            5.35451           29.16639
  C           21.57737            4.67004           29.08251
  C           22.62654            5.73492           29.54862
  C           22.02328            6.37521           30.74139
  O           20.37415            8.02593           29.49183
  O           19.47133            6.73425           31.48833
  H           19.49245            4.64007           29.63484
  H           19.87623            5.65130           28.15937
  H           21.63660            3.93449           29.88473
  H           21.69122            4.39239           28.03463
  H           23.64853            5.37364           29.66320
  H           22.76305            6.40033           28.69616
  H           22.52377            7.26263           31.12881
  H           21.93112            5.59214           31.49399
  S           16.19099            7.81232           29.92671
  C           17.08769            9.44574           29.93793
  C           17.53356            9.69780           31.38457
  C           16.45719            9.00891           32.24214
  C           16.27544            7.62898           31.74281
  O           14.75772            7.92562           29.59746
  O           17.08065            6.78785           29.32201
  H           17.87459            9.55477           29.19162
  H           16.25663           10.13922           29.80935
  H           18.53637            9.29878           31.53708
  H           17.57224           10.77428           31.55123
  H           16.66241            9.14370           33.30413
  H           15.53272            9.58570           32.21465
  H           15.43743            7.01204           32.06719
  H           17.20939            7.16365           32.05794
  S           18.49264            5.65260           25.19515
  C           17.81366            5.34987           23.44875
  C           16.45387            5.95518           23.45779
  C           15.78339            5.78817           24.91631
  C           16.87982            6.26481           25.83807
  O           18.78395            4.38033           25.75920
  O           19.53718            6.71687           25.22374
  H           18.55010            5.72751           22.73942
  H           17.76636            4.26630           23.34036
  H           16.36910            6.99252           23.13399
  H           15.90996            5.29497           22.78223
  H           14.88231            6.38732           25.04730
  H           15.40003            4.78937           25.12499
  H           16.86896            5.91286           26.86963
  H           16.81380            7.35192           25.79392
  S           12.93124           17.43278           53.19053
  C           12.52772           15.62866           52.69473
  C           13.03637           15.56029           51.29407
  C           12.76146           16.90108           50.65331
  C           13.47717           17.92522           51.46195
  O           11.70124           18.12534           53.56782
  O           14.08960           17.53141           54.05652
  H           12.98897           15.03521           53.48414
  H           11.45699           15.47843           52.83283
  H           14.09374           15.29653           51.27168
  H           12.59688           14.75938           50.69951
  H           13.15464           16.81071           49.64072
  H           11.69375           17.11455           50.60306
  H           13.14607           18.92583           51.18403
  H           14.56589           17.87344           51.45106
  S           14.46357           13.58350           41.17983
  C           13.78332           11.83820           41.14898
  C           14.32316           11.28132           39.83550
  C           14.10415           12.26311           38.76354
  C           14.60595           13.59667           39.32593
  O           13.53740           14.54916           41.61527
  O           15.81413           13.61529           41.69398
  H           13.92318           11.26643           42.06637
  H           12.71340           11.99238           41.00900
  H           15.35308           10.94323           39.94972
  H           13.70947           10.40096           39.64458
  H           14.73125           11.99549           37.91312
  H           13.04441           12.23988           38.50953
  H           14.05164           14.51146           39.11618
  H           15.65026           13.82670           39.11473
  S           18.17004           22.45006           43.68293
  C           19.23448           22.84353           42.19136
  C           19.40406           21.48180           41.50891
  C           19.58074           20.40746           42.55891
  C           19.04044           20.80211           43.91395
  O           18.45241           23.33140           44.84208
  O           16.81061           22.13000           43.25365
  H           18.84694           23.70269           41.64387
  H           20.17874           23.13575           42.65080
  H           18.58960           21.18789           40.84681
  H           20.26978           21.51905           40.84768
  H           19.22599           19.44482           42.19071
  H           20.62843           20.17482           42.74947
  H           19.84871           20.87798           44.64131
  H           18.41022           19.98374           44.26207
  S           15.09102           19.53536           21.41233
  C           16.23680           20.27348           22.54649
  C           17.67422           20.06960           21.95894
  C           17.75825           18.76564           21.26221
  C           16.34231           18.37141           20.71419
  O           14.09181           18.77856           22.10825
  O           14.82865           20.55190           20.38138
  H           15.91278           21.28565           22.78859
  H           16.11128           19.75126           23.49498
  H           17.81381           20.88175           21.24547
  H           18.44945           20.22279           22.70971
  H           18.51186           18.58082           20.49669
  H           17.92110           18.08808           22.10035
  H           16.14129           17.42339           21.21314
  H           16.29820           18.30522           19.62710
  S            5.14894            6.28259           44.15567
  C            6.84320            6.25543           44.95319
  C            7.36694            7.70623           44.96591
  C            6.92173            8.27234           43.57870
  C            5.50109            7.73283           43.08596
  O            5.01180            5.09140           43.29613
  O            4.04142            6.65268           45.01191
  H            6.82879            5.85538           45.96702
  H            7.35269            5.54771           44.29923
  H            6.91057            8.32538           45.73823
  H            8.43669            7.82322           45.13928
  H            7.13669            9.32572           43.39905
  H            7.67228            7.94369           42.85983
  H            5.59309            7.26477           42.10588
  H            4.61271            8.32791           43.29752
  S           17.83617           14.29844           50.61348
  C           19.03962           15.69697           50.23705
  C           19.67712           16.08097           51.59221
  C           20.00731           14.64756           52.23381
  C           18.69896           13.76714           52.17349
  O           16.58965           14.85805           51.03524
  O           18.01117           13.32371           49.54714
  H           19.80583           15.18936           49.65108
  H           18.46226           16.37525           49.60881
  H           20.60101           16.65559           51.52626
  H           19.02984           16.65730           52.25326
  H           20.83964           14.18307           51.70507
  H           20.30864           14.84458           53.26264
  H           17.95616           13.94223           52.95176
  H           18.80802           12.68650           52.26537
  S            3.61234           13.66361           43.51782
  C            4.67282           13.45048           45.03159
  C            4.52952           12.03530           45.43726
  C            3.20520           11.32342           44.81420
  C            3.10641           11.86329           43.38662
  O            2.44300           14.49181           43.93041
  O            4.42041           13.84623           42.30711
  H            5.59247           14.02414           45.14675
  H            4.01265           14.01051           45.69388
  H            5.39391           11.51119           45.02954
  H            4.60563           12.00905           46.52428
  H            3.31321           10.23883           44.82388
  H            2.28702           11.51590           45.36917
  H            2.17324           11.76504           42.83196
  H            3.86965           11.38343           42.77400
  S           13.31732           10.48433           50.44393
  C           15.04448           10.95899           50.79786
  C           15.19224           11.24394           52.28585
  C           14.03204           10.55569           52.97273
  C           12.73042           10.75181           52.11946
  O           12.62589           11.48308           49.62320
  O           13.20322            9.05761           50.15138
  H           15.16433           11.90501           50.26986
  H           15.67693           10.26370           50.24589
  H           16.15689           10.93674           52.68982
  H           14.99840           12.30088           52.46861
  H           14.28382            9.49570           52.93914
  H           13.90997           10.83398           54.01951
  H           12.42554           11.79732           52.16484
  H           11.88382           10.07526           52.23631
  S           24.44018            5.20705           40.86369
  C           23.23582            5.93970           39.62077
  C           22.33770            4.82104           39.05155
  C           23.22592            3.50753           39.08483
  C           23.86156            3.47871           40.50923
  O           25.78586            5.53850           40.30503
  O           24.08778            5.58776           42.17617
  H           22.57022            6.64122           40.12370
  H           23.79835            6.35656           38.78536
  H           21.42016            4.75041           39.63570
  H           22.05962            5.06649           38.02660
  H           22.69958            2.57772           38.86915
  H           24.00757            3.58856           38.32948
  H           24.74938            2.85412           40.60800
  H           23.03968            3.25923           41.19073
  S            2.91980           19.57755           35.11591
  C            2.64249           19.28111           33.23539
  C            3.85559           19.87915           32.44991
  C            5.11978           19.69255           33.32080
  C            4.79105           19.78702           34.86845
  O            2.39097           20.84706           35.55314
  O            2.68323           18.35655           35.83836
  H            2.78850           18.21000           33.09576
  H            1.57454           19.46026           33.11094
  H            3.98709           19.67945           31.38646
  H            3.57997           20.92679           32.32914
  H            5.40702           18.65695           33.13877
  H            5.88767           20.42736           33.07891
  H            4.83483           20.80125           35.26534
  H            5.28670           19.06879           35.52159
  S            7.66458           20.43334           29.84571
  C            8.64873           21.38000           31.17825
  C           10.01060           20.74705           31.22228
  C           10.36149           20.35772           29.75298
  C            9.12662           19.57426           29.17685
  O            6.63503           19.46994           30.34682
  O            7.25478           21.38099           28.80518
  H            8.68723           22.36866           30.72089
  H            8.07652           21.31523           32.10372
  H           10.72999           21.45974           31.62558
  H           10.03136           19.93118           31.94479
  H           10.60684           21.28906           29.24259
  H           11.25726           19.74360           29.66050
  H            8.98905           18.52607           29.44230
  H            9.04938           19.53450           28.09032
  S           10.63669            3.45912           36.10806
  C            9.62970            2.73422           34.65303
  C            8.94594            1.41658           35.12452
  C            9.87223            0.87593           36.25746
  C           10.23249            2.06332           37.18767
  O           12.10427            3.53776           35.75636
  O            9.91376            4.69736           36.45333
  H            8.97321            3.53529           34.31329
  H           10.32563            2.53924           33.83709
  H            7.96795            1.67545           35.53025
  H            8.74036            0.60386           34.42786
  H            9.35142            0.00000           36.64423
  H           10.77858            0.47563           35.80316
  H           11.03479            2.02339           37.92443
  H            9.29122            2.31153           37.67808
  S            5.84256            7.50730           21.01103
  C            7.45186            7.58702           20.04094
  C            8.38861            6.49253           20.55882
  C            7.96715            6.02723           21.99467
  C            6.82143            6.95457           22.44415
  O            5.24677            8.83112           21.19637
  O            5.00658            6.38174           20.59696
  H            7.13304            7.51273           19.00126
  H            7.84319            8.56812           20.31001
  H            8.50030            5.66847           19.85415
  H            9.39332            6.91408           20.58953
  H            7.68344            4.97545           22.03138
  H            8.85650            6.22370           22.59348
  H            7.28837            7.82559           22.90391
  H            6.05762            6.62155           23.14685
  S           10.21378           19.55510           42.79483
  C            9.69593           17.89782           42.08295
  C           10.42899           17.87763           40.73283
  C           10.22817           19.27681           40.14148
  C           10.64091           20.32275           41.17797
  O            9.10385           20.22947           43.41835
  O           11.43654           19.44994           43.53273
  H            9.88668           17.13789           42.84073
  H            8.63538           18.11202           41.95091
  H           11.50264           17.71374           40.82514
  H            9.83957           17.30840           40.01403
  H           10.79036           19.44806           39.22348
  H            9.15920           19.36486           39.94740
  H           10.00575           21.20826           41.15491
  H           11.70173           20.57299           41.19004
  C            2.92951           20.64997           27.06764
  C            4.31302           20.56584           27.03210
  C            4.92172           19.96179           25.97489
  C            4.13754           19.35776           25.02466
  C            2.75388           19.35692           25.05441
  C            2.11976           20.10077           26.06534
  Br            2.24408           21.59732           28.53300
  Br            6.85981           19.83300           25.90097
  Br            1.85119           18.58532           23.66193
  H            4.89607           20.91365           27.87203
  H            4.62188           18.83670           24.21208
  H            1.05923           20.16027           26.26063
  C           15.73883            6.31170           53.86557
  C           14.35951            6.09172           54.11106
  C           14.00137            5.09504           55.05900
  C           14.98861            4.40689           55.75885
  C           16.33170            4.59824           55.38139
  C           16.72037            5.53357           54.43674
  Br           16.22703            7.52908           52.46125
  Br           12.22645            4.85568           55.72046
  Br           17.72778            3.69200           56.27289
  H           13.60275            6.62234           53.55235
  H           14.77980            3.68082           56.53061
  H           17.74940            5.72015           54.16712