 37
 Energy -1205.458705465
 C  -1.21266587  -0.00176360  -1.27049179
 C  -1.23276675   0.06553353   0.18021661
 C  -0.00941933   0.18103605   0.89198705
 C   1.33395993   0.20678922   0.18450012
 C   1.26518772   0.11643718  -1.30870863
 C   0.04460256   0.02006982  -1.99352440
 C  -2.45189531   0.01563082   0.90393899
 C  -2.46907695   0.09110125   2.28400234
 C  -1.25625444   0.20045029   2.96631845
 C  -0.04449961   0.25741942   2.29019130
 C   0.02642998  -0.05528463  -3.42811708
 C  -1.15240748  -0.14237924  -4.12407012
 C  -2.37285579  -0.15844440  -3.41182506
 C  -2.39784653  -0.08935927  -2.02846576
 C   2.18264398  -1.01630354   0.68584383
 C   2.07015405   1.54418575   0.54538066
 C   2.55600769   0.13057207  -2.06661806
 H  -3.40176718  -0.09142719   0.37998563
 H  -3.39431004   0.04650541   2.86686190
 S  -1.36496441   0.38714419   4.80322101
 H   0.87914719   0.33513167   2.86894207
 H   0.96851465  -0.04095922  -3.97640747
 H  -1.15260626  -0.19783071  -5.21444912
 H  -3.31614389  -0.22629247  -3.96044125
 H  -3.36639961  -0.10208672  -1.53019827
 H   3.19162563  -1.01216744   0.25242202
 H   1.68408404  -1.96368677   0.43410415
 H   2.28058393  -0.95708961   1.77842722
 H   3.07348564   1.58595310   0.10086790
 H   2.18098134   1.60787420   1.63643640
 H   1.48751734   2.41209856   0.20357951
 O  -0.39701519  -1.00602030   5.02879052
 O  -2.79556622   0.12939987   5.13132046
 H  -0.11057851  -0.96776553   5.96620890
 H   3.43133726   0.20405430  -1.41385860
 H   2.65906417  -0.78446106  -2.67453969
 H   2.58188012   0.98250020  -2.76765223
 37
 Energy -1205.458679207
 C  -1.21152011  -0.01210688  -1.27106992
 C  -1.23296330   0.05897915   0.17946508
 C  -0.01038078   0.17799827   0.89208283
 C   1.33367773   0.19602992   0.18592887
 C   1.26488463   0.13277092  -1.30863079
 C   0.04502712   0.03292983  -1.99429950
 C  -2.45290377   0.01353588   0.90202527
 C  -2.47157373   0.09463166   2.28176779
 C  -1.25937091   0.20434975   2.96524174
 C  -0.04671976   0.25621919   2.29014282
 C   0.02708676  -0.02694508  -3.42963398
 C  -1.15038022  -0.12957927  -4.12577139
 C  -2.36935952  -0.18150084  -3.41277115
 C  -2.39481791  -0.12321886  -2.02892758
 C   2.15015448  -1.06382935   0.65535594
 C   2.10425973   1.50137610   0.58228926
 C   2.55526700   0.16839307  -2.06656188
 H  -3.40262063  -0.09105567   0.37727849
 H  -3.39781758   0.05424874   2.86325197
 S  -1.37140430   0.40229738   4.80083994
 H   0.87631818   0.33218986   2.86997889
 H   0.96824588   0.01112339  -3.97834982
 H  -1.15040041  -0.17320260  -5.21668711
 H  -3.31122055  -0.26813295  -3.96120239
 H  -3.36237088  -0.16343832  -1.53020397
 H   3.15974062  -1.07257474   0.22306921
 H   1.62821497  -1.99100720   0.37714533
 H   2.24479234  -1.03486982   1.74967520
 H   3.10721247   1.53104686   0.13626731
 H   2.22180475   1.53304298   1.67382585
 H   1.54321870   2.39321131   0.26688181
 O  -0.38340084  -0.97532126   5.03639807
 O  -2.79838511   0.12719467   5.13021742
 H  -0.09824472  -0.92637948   5.97368890
 H   3.43178354   0.19873638  -1.41191118
 H   2.64851648  -0.71201956  -2.72399491
 H   2.58945831   1.05828302  -2.71938750
 37
 Energy -1205.458606942
 C  -1.20983014  -0.02425523  -1.27106479
 C  -1.23221998   0.05149464   0.17919261
 C  -0.01027421   0.17521101   0.89228476
 C   1.33396476   0.18779918   0.18639115
 C   1.26428702   0.15372283  -1.30919399
 C   0.04494939   0.04812509  -1.99511451
 C  -2.45280158   0.01021404   0.90074626
 C  -2.47272075   0.09700822   2.28016630
 C  -1.26102166   0.20690394   2.96446560
 C  -0.04762165   0.25465626   2.29020772
 C   0.02587969   0.00399001  -3.43100419
 C  -1.15007877  -0.11892554  -4.12645882
 C  -2.36584087  -0.21193730  -3.41216908
 C  -2.39070078  -0.16417556  -2.02791591
 C   2.11862984  -1.10709707   0.62048882
 C   2.13725662   1.45911859   0.61888901
 C   2.55361166   0.21483949  -2.06689643
 H  -3.40243722  -0.09144296   0.37527172
 H  -3.39983248   0.06173796   2.86058686
 S  -1.37484850   0.41600114   4.79879362
 H   0.87477463   0.32998018   2.87098185
 H   0.96489600   0.06930400  -3.98078817
 H  -1.15093613  -0.15075786  -5.21777913
 H  -3.30569369  -0.32169664  -3.95989901
 H  -3.35579495  -0.23624663  -1.52800222
 H   3.12628911  -1.13088365   0.18401536
 H   1.57136277  -2.01264796   0.32070585
 H   2.21476234  -1.10632806   1.71526185
 H   3.13953341   1.47818250   0.17117143
 H   2.26093749   1.45694188   1.71000758
 H   1.59781707   2.37360624   0.33189527
 O  -0.37891592  -0.95449373   5.04342770
 O  -2.80044348   0.13531917   5.12936113
 H  -0.09340050  -0.89721886   5.98012308
 H   3.43121942   0.20491785  -1.41298093
 H   2.64002411  -0.62815939  -2.77147812
 H   2.59334410   1.13973621  -2.66980770
 37
 Energy -1205.458496187
 C  -1.20774687  -0.03591339  -1.27076519
 C  -1.23126654   0.04526121   0.17913009
 C  -0.01004849   0.17396299   0.89268841
 C   1.33413845   0.18137670   0.18667819
 C   1.26344769   0.17617123  -1.30941436
 C   0.04479094   0.06229116  -1.99557938
 C  -2.45264183   0.00788530   0.89943074
 C  -2.47398323   0.09987420   2.27855576
 C  -1.26283010   0.21011842   2.96368860
 C  -0.04860823   0.25465019   2.29042585
 C   0.02390968   0.03134123  -3.43173051
 C  -1.15034059  -0.11215554  -4.12631555
 C  -2.36187358  -0.24320456  -3.41092819
 C  -2.38572507  -0.20377792  -2.02636625
 C   2.08627643  -1.14727545   0.58310678
 C   2.17000901   1.41589984   0.65494661
 C   2.55131008   0.26529789  -2.06636754
 H  -3.40197957  -0.09130760   0.37291286
 H  -3.40194342   0.06882611   2.85782665
 S  -1.37808134   0.42810901   4.79692319
 H   0.87291674   0.32998952   2.87235110
 H   0.95993704   0.12255115  -3.98283460
 H  -1.15237441  -0.13432592  -5.21787375
 H  -3.29923353  -0.37551715  -3.95794853
 H  -3.34747813  -0.30541473  -1.52512455
 H   3.09296970  -1.18309128   0.14481345
 H   1.51618150  -2.02999351   0.25892015
 H   2.18063465  -1.17691732   1.67782205
 H   3.17000123   1.42621926   0.20222183
 H   2.30266987   1.37664346   1.74411841
 H   1.65170621   2.35219271   0.40118426
 O  -0.37376800  -0.93525979   5.04859186
 O  -2.80209519   0.14100392   5.12893079
 H  -0.08787298  -0.87043030   5.98466012
 H   3.43001739   0.21063976  -1.41592801
 H   2.63031255  -0.53314459  -2.82082041
 H   2.59760394   1.22609129  -2.61103368
 37
 Energy -1205.458354407
 C  -1.20523742  -0.04719606  -1.27021212
 C  -1.23004622   0.04047048   0.17925317
 C  -0.00958034   0.17368762   0.89326697
 C   1.33430225   0.17521235   0.18668513
 C   1.26264893   0.19811045  -1.30946321
 C   0.04484387   0.07374697  -1.99598122
 C  -2.45228885   0.00768011   0.89804107
 C  -2.47512565   0.10452031   2.27688169
 C  -1.26456083   0.21464751   2.96294258
 C  -0.04943539   0.25586615   2.29082969
 C   0.02121861   0.05298273  -3.43229339
 C  -1.15132490  -0.10932956  -4.12573577
 C  -2.35796970  -0.27330335  -3.40918243
 C  -2.38016301  -0.24031188  -2.02438046
 C   2.05278356  -1.18536780   0.54517232
 C   2.20274334   1.37081829   0.68831986
 C   2.54894020   0.32084906  -2.06324039
 H  -3.40117379  -0.08895720   0.37024019
 H  -3.40393945   0.07740993   2.85494354
 S  -1.38191013   0.43917316   4.79541772
 H   0.87108880   0.33098003   2.87405211
 H   0.95382000   0.16559319  -3.98508604
 H  -1.15466446  -0.12435699  -5.21740259
 H  -3.29280525  -0.42604849  -3.95519316
 H  -3.33806409  -0.36769144  -1.52152115
 H   3.05758917  -1.23431999   0.10357270
 H   1.45951814  -2.04414025   0.19915705
 H   2.14596202  -1.24383540   1.63898522
 H   3.20230485   1.36770816   0.23489659
 H   2.33814045   1.29857655   1.77526832
 H   1.70977493   2.32767931   0.46221173
 O  -0.36690082  -0.91561229   5.05216485
 O  -2.80382444   0.14248613   5.12801853
 H  -0.08150764  -0.84479257   5.98793567
 H   3.42804901   0.20860779  -1.42035617
 H   2.61868882  -0.41707941  -2.87636335
 H   2.60632059   1.32143358  -2.53120196
 37
 Energy -1205.458182664
 C  -1.20244397  -0.05658384  -1.26967826
 C  -1.22870010   0.03784740   0.17931064
 C  -0.00905612   0.17467911   0.89396653
 C   1.33435982   0.16905612   0.18652352
 C   1.26182733   0.21975593  -1.30942264
 C   0.04501892   0.08474871  -1.99660582
 C  -2.45188580   0.00953882   0.89645147
 C  -2.47627680   0.11020488   2.27508321
 C  -1.26632140   0.21994940   2.96214852
 C  -0.05023928   0.25816418   2.29130834
 C   0.01794482   0.07142488  -3.43298481
 C  -1.15299611  -0.10983394  -4.12473716
 C  -2.35422244  -0.30282510  -3.40678585
 C  -2.37429245  -0.27367263  -2.02181180
 C   2.01775857  -1.22147806   0.50696030
 C   2.23500203   1.32379005   0.71956457
 C   2.54656068   0.37658208  -2.05797647
 H  -3.40037174  -0.08439526   0.36733250
 H  -3.40595642   0.08627207   2.85183688
 S  -1.38566312   0.44920740   4.79404251
 H   0.86915262   0.33294995   2.87600422
 H   0.94633939   0.20335370  -3.98828707
 H  -1.15816894  -0.12013218  -5.21645299
 H  -3.28641828  -0.47509151  -3.95149535
 H  -3.32786673  -0.42384531  -1.51695516
 H   3.02051122  -1.28383950   0.06202479
 H   1.40205776  -2.05523598   0.13987225
 H   2.10924782  -1.30859207   1.59913470
 H   3.23292559   1.30785329   0.26314568
 H   2.37415196   1.21741621   1.80307729
 H   1.76728427   2.29985380   0.52353602
 O  -0.35859895  -0.89616795   5.05447067
 O  -2.80491774   0.14093918   5.12731401
 H  -0.07274917  -0.81932368   5.98957861
 H   3.42485712   0.19603553  -1.42895500
 H   2.60406124  -0.28696015  -2.93224090
 H   2.62126773   1.41499870  -2.43369555
 37
 Energy -1205.457986694
 C  -1.19976697  -0.06433200  -1.26938341
 C  -1.22742968   0.03633501   0.17928487
 C  -0.00845414   0.17576212   0.89462797
 C   1.33427946   0.16320344   0.18601087
 C   1.26087290   0.24155316  -1.30928658
 C   0.04537688   0.09396446  -1.99725324
 C  -2.45139855   0.01193983   0.89486899
 C  -2.47722114   0.11546245   2.27337555
 C  -1.26790702   0.22510735   2.96138308
 C  -0.05087625   0.26078758   2.29174209
 C   0.01460184   0.08390413  -3.43364886
 C  -1.15483499  -0.11434177  -4.12366445
 C  -2.35106810  -0.32957662  -3.40439862
 C  -2.36876760  -0.30210986  -2.01926449
 C   1.98268222  -1.25485505   0.46812428
 C   2.26620938   1.27536128   0.74869563
 C   2.54381393   0.43562398  -2.04986179
 H  -3.39936512  -0.07964125   0.36437330
 H  -3.40770864   0.09387766   2.84888789
 S  -1.38934307   0.45825994   4.79284591
 H   0.86732969   0.33569086   2.87789581
 H   0.93856712   0.23006517  -3.99232249
 H  -1.16113459  -0.12312234  -5.21536788
 H  -3.28095391  -0.51830134  -3.94759643
 H  -3.31816321  -0.47055165  -1.51220052
 H   2.98196767  -1.33084649   0.01734329
 H   1.34427613  -2.06295297   0.08311138
 H   2.07460982  -1.36908808   1.55788480
 H   3.26133930   1.24737541   0.28707498
 H   2.41013120   1.13354491   1.82736979
 H   1.82394585   2.26911992   0.58483957
 O  -0.34898660  -0.87654251   5.05637821
 O  -2.80572443   0.13736750   5.12657016
 H  -0.06383494  -0.79444356   5.99125414
 H   3.41963903   0.17809149  -1.44339480
 H   2.58838207  -0.13794342  -2.98469924
 H   2.64122577   1.50566489  -2.31794913
 37
 Energy -1205.457800807
 C  -1.19707276  -0.07157577  -1.26879995
 C  -1.22598331   0.03503258   0.17940483
 C  -0.00767889   0.17588910   0.89545619
 C   1.33422927   0.15634079   0.18518258
 C   1.25939502   0.26357083  -1.30905606
 C   0.04550526   0.10282022  -1.99817449
 C  -2.45082710   0.01531704   0.89333005
 C  -2.47809962   0.12158257   2.27170689
 C  -1.26936978   0.23037578   2.96068360
 C  -0.05132250   0.26246200   2.29233685
 C   0.01143867   0.09269987  -3.43448253
 C  -1.15624975  -0.12258038  -4.12268305
 C  -2.34794986  -0.35456821  -3.40187864
 C  -2.36356328  -0.32636437  -2.01655102
 C   1.94870949  -1.28610008   0.42881625
 C   2.29557972   1.22531127   0.77590011
 C   2.53970425   0.49747456  -2.03997401
 H  -3.39837656  -0.07346941   0.36150300
 H  -3.40941663   0.10268149   2.84588642
 S  -1.39329834   0.46706682   4.79176783
 H   0.86567533   0.33717997   2.87996274
 H   0.93187926   0.24850751  -3.99588426
 H  -1.16337480  -0.13326217  -5.21436325
 H  -3.27580058  -0.55755784  -3.94341255
 H  -3.30919584  -0.50929977  -1.50742250
 H   2.94408281  -1.37404033  -0.02882512
 H   1.28947685  -2.06898239   0.02753134
 H   2.04203063  -1.42677287   1.51541925
 H   3.28938635   1.18206869   0.31288060
 H   2.43846510   1.05100843   1.84981897
 H   1.88151473   2.23539625   0.63982127
 O  -0.33771559  -0.85551050   5.05829958
 O  -2.80619843   0.13126404   5.12553267
 H  -0.05323743  -0.76741830   5.99280126
 H   3.41227696   0.16172379  -1.46641194
 H   2.57080828   0.02443688  -3.02852977
 H   2.66184168   1.58788414  -2.19249688
 37
 Energy -1205.457614973
 C  -1.19453348  -0.07688539  -1.26852542
 C  -1.22498290   0.03499526   0.17936283
 C  -0.00729857   0.17564071   0.89644096
 C   1.33385386   0.14875707   0.18447189
 C   1.25767298   0.28587912  -1.30794418
 C   0.04579058   0.11217136  -1.99860695
 C  -2.45072505   0.01971391   0.89139506
 C  -2.47955626   0.12765400   2.26976391
 C  -1.27154598   0.23525355   2.95996656
 C  -0.05230980   0.26348984   2.29305058
 C   0.00981931   0.09917413  -3.43480294
 C  -1.15557416  -0.13341855  -4.12169503
 C  -2.34347649  -0.37908303  -3.39993982
 C  -2.35803391  -0.34842684  -2.01447075
 C   1.91468891  -1.31573299   0.38869653
 C   2.32349908   1.17343161   0.80130939
 C   2.53446500   0.55898555  -2.02849606
 H  -3.39773866  -0.06569070   0.35795731
 H  -3.41185119   0.11111135   2.84236539
 S  -1.39805976   0.47610357   4.79058677
 H   0.86335924   0.33737039   2.88243614
 H   0.92725051   0.26179668  -3.99872554
 H  -1.16255790  -0.14825252  -5.21331412
 H  -3.26896302  -0.59562286  -3.94026077
 H  -3.30025392  -0.54407510  -1.50364456
 H   2.90609106  -1.41437255  -0.07561630
 H   1.23567622  -2.07259083  -0.02889749
 H   2.00820265  -1.48373738   1.47147806
 H   3.31583739   1.11332240   0.33710982
 H   2.46329950   0.96834287   1.87006458
 H   1.93899527   2.19840275   0.69173369
 O  -0.32433941  -0.83145618   5.06053973
 O  -2.80626818   0.12224819   5.12558406
 H  -0.04026875  -0.73630877   5.99444254
 H   3.40310270   0.14892403  -1.49679822
 H   2.55110068   0.18950150  -3.05933667
 H   2.68249320   1.65630572  -2.06684179
 37
 Energy -1205.457428373
 C  -1.19234372  -0.08143222  -1.26833116
 C  -1.22429254   0.03370391   0.17948086
 C  -0.00710573   0.17422744   0.89758118
 C   1.33334010   0.14021808   0.18386311
 C   1.25540358   0.30834902  -1.30585672
 C   0.04608712   0.12062855  -1.99843681
 C  -2.45069706   0.02074858   0.88991137
 C  -2.48104854   0.13050450   2.26830546
 C  -1.27381322   0.23924574   2.95934013
 C  -0.05342820   0.26411790   2.29378474
 C   0.01013969   0.10247005  -3.43442360
 C  -1.15256752  -0.14543622  -4.12096637
 C  -2.33834132  -0.39877957  -3.39912394
 C  -2.35307472  -0.36515032  -2.01349208
 C   1.88113072  -1.34406064   0.34772316
 C   2.35050126   1.11876227   0.82551183
 C   2.52687686   0.62258742  -2.01626979
 H  -3.39711000  -0.06321924   0.35509467
 H  -3.41415839   0.11503531   2.83952319
 S  -1.40285013   0.48595006   4.78923139
 H   0.86084174   0.33824583   2.88486957
 H   0.92614626   0.26767898  -3.99958510
 H  -1.15813030  -0.16649631  -5.21248877
 H  -3.26181034  -0.62498514  -3.93894139
 H  -3.29312258  -0.56928236  -1.50190369
 H   2.86769931  -1.45226607  -0.12507788
 H   1.18293381  -2.07478144  -0.08410683
 H   1.97664834  -1.53885720   1.42588370
 H   3.34132872   1.03880068   0.36108540
 H   2.48437032   0.88430481   1.88887144
 H   1.99854452   2.15779159   0.74056839
 O  -0.31076975  -0.80579680   5.06345102
 O  -2.80594951   0.11379936   5.12587471
 H  -0.02875566  -0.70406278   5.99727796
 H   3.39254229   0.14600768  -1.53534132
 H   2.52740085   0.35735194  -3.07788949
 H   2.69932396   1.71458494  -1.94513501
 37
 Energy -1205.457239505
 C  -1.19079564  -0.08121502  -1.26836338
 C  -1.22315787   0.03261606   0.18003135
 C  -0.00654760   0.17677397   0.89877567
 C   1.33272455   0.13529390   0.18249657
 C   1.25323990   0.33008281  -1.30382750
 C   0.04707740   0.12504999  -1.99825506
 C  -2.44902375   0.01185288   0.89059006
 C  -2.47999321   0.12117861   2.26913873
 C  -1.27411013   0.24206939   2.96004389
 C  -0.05329313   0.27145967   2.29458770
 C   0.01463911   0.09241427  -3.43370902
 C  -1.14574950  -0.16581341  -4.12082363
 C  -2.33393962  -0.40737676  -3.39972509
 C  -2.35100662  -0.36438089  -2.01415184
 C   1.84521531  -1.36820464   0.30390699
 C   2.37725896   1.06503407   0.84706404
 C   2.51745440   0.68333628  -2.00640049
 H  -3.39506936  -0.07925254   0.35633534
 H  -3.41297659   0.09806790   2.84029364
 S  -1.40941582   0.49584333   4.78906123
 H   0.85992611   0.35384242   2.88581311
 H   0.93242103   0.24866941  -3.99839492
 H  -1.14754454  -0.20141685  -5.21197019
 H  -3.25730652  -0.63399891  -3.93952449
 H  -3.29275293  -0.56266782  -1.50344018
 H   2.82418358  -1.48782816  -0.18206279
 H   1.12477871  -2.07058610  -0.13781000
 H   1.94685059  -1.58913747   1.37651536
 H   3.36299223   0.97410527   0.37398037
 H   2.51326130   0.79291974   1.90118037
 H   2.05305541   2.11546520   0.79855284
 O  -0.29755315  -0.77733487   5.07196574
 O  -2.80720598   0.10245930   5.12413207
 H  -0.01817005  -0.66539437   6.00538854
 H   3.38420592   0.16450889  -1.57128981
 H   2.50428803   0.50108222  -3.08474087
 H   2.70262993   1.76448183  -1.85219927
 37
 Energy -1205.456905278
 C  -1.18969875  -0.07379759  -1.26762604
 C  -1.22109242   0.03490749   0.18195193
 C  -0.00489511   0.18693524   0.90070490
 C   1.33271234   0.13930798   0.18084503
 C   1.25265731   0.34877060  -1.30212558
 C   0.04881845   0.12562758  -1.99687719
 C  -2.44513687  -0.00432988   0.89415164
 C  -2.47624527   0.10193717   2.27301144
 C  -1.27256098   0.24520203   2.96256134
 C  -0.05199301   0.28875436   2.29624658
 C   0.02298871   0.06975050  -3.43095987
 C  -1.13568520  -0.19403374  -4.11926237
 C  -2.33003632  -0.40651983  -3.39999060
 C  -2.35152329  -0.34565695  -2.01503386
 C   1.81226325  -1.38214657   0.25404793
 C   2.40204129   1.02009868   0.86725075
 C   2.50774410   0.72557738  -2.00811803
 H  -3.39053255  -0.11124869   0.36188221
 H  -3.40786738   0.06208912   2.84551197
 S  -1.41715470   0.50211706   4.79177684
 H   0.86011416   0.38617706   2.88661300
 H   0.94451420   0.21002643  -3.99381345
 H  -1.13213430  -0.25161494  -5.20946955
 H  -3.25461394  -0.62715858  -3.94016322
 H  -3.29834324  -0.52404826  -1.50656984
 H   2.77871477  -1.51232979  -0.25397626
 H   1.06633170  -2.05547816  -0.18992196
 H   1.92907772  -1.62846262   1.31970394
 H   3.38271310   0.92619031   0.38454168
 H   2.54123787   0.70541997   1.90914657
 H   2.10223462   2.07882946   0.86040710
 O  -0.29120530  -0.75622483   5.08269720
 O  -2.81108062   0.09076651   5.12171480
 H  -0.01617728  -0.63757765   6.01655869
 H   3.39457299   0.27178757  -1.54426626
 H   2.51258648   0.49587771  -3.07783298
 H   2.63610928   1.82149100  -1.90360072
 37
 Energy -1205.456067029
 C  -1.18858880  -0.06494140  -1.26572026
 C  -1.21885312   0.03780949   0.18506392
 C  -0.00301734   0.19920782   0.90358321
 C   1.33289634   0.14902638   0.18007543
 C   1.25309719   0.36609938  -1.30002572
 C   0.05064011   0.12491328  -1.99374138
 C  -2.44063503  -0.02087162   0.89897869
 C  -2.47201567   0.08424075   2.27808791
 C  -1.27127555   0.25150805   2.96630845
 C  -0.05129112   0.30964729   2.29891768
 C   0.03268591   0.04576546  -3.42572112
 C  -1.12418426  -0.22217664  -4.11578244
 C  -2.32536547  -0.40263553  -3.39961245
 C  -2.35222678  -0.32264175  -2.01567957
 C   1.78732925  -1.38662802   0.20173568
 C   2.42161510   0.98368656   0.88878679
 C   2.49800811   0.75059749  -2.02155505
 H  -3.38485198  -0.14588030   0.36867215
 H  -3.40198300   0.02722737   2.85198912
 S  -1.42337061   0.50526109   4.79725318
 H   0.85929547   0.42317236   2.88846860
 H   0.95829496   0.17193754  -3.98544135
 H  -1.11482381  -0.30181354  -5.20455597
 H  -3.25099950  -0.61560669  -3.94098827
 H  -3.30473828  -0.47765187  -1.51029572
 H   2.73721596  -1.52200839  -0.33545299
 H   1.01619319  -2.03414685  -0.23669476
 H   1.92905926  -1.65674201   1.25880008
 H   3.40124784   0.88269250   0.40579001
 H   2.55425354   0.63249048   1.91993889
 H   2.14779647   2.04899373   0.91495317
 O  -0.29256916  -0.74855140   5.08800138
 O  -2.81574953   0.08330993   5.12087639
 H  -0.02340543  -0.63362830   6.02405282
 H   3.40621625   0.45264025  -1.48444757
 H   2.55407076   0.37118451  -3.04779929
 H   2.51975744   1.85746372  -2.08256388
 37
 Energy -1205.454836069
 C  -1.18688200  -0.05945485  -1.26295460
 C  -1.21745401   0.03803704   0.18915818
 C  -0.00216394   0.21045258   0.90727950
 C   1.33111084   0.16237999   0.17922376
 C   1.25305937   0.38414601  -1.29745704
 C   0.05303472   0.12154516  -1.98982999
 C  -2.43697307  -0.03741242   0.90484099
 C  -2.46872029   0.07028690   2.28419766
 C  -1.27106953   0.26148363   2.97071775
 C  -0.05178510   0.33296446   2.30216122
 C   0.04466833   0.01728603  -3.41888526
 C  -1.11122406  -0.24914002  -4.11153690
 C  -2.31946080  -0.39465214  -3.39969136
 C  -2.35159050  -0.30179339  -2.01653448
 C   1.76555666  -1.38538334   0.13715635
 C   2.43438729   0.95464068   0.90881448
 C   2.49235177   0.76642294  -2.03252450
 H  -3.37953684  -0.18088047   0.37618231
 H  -3.39683068  -0.00226512   2.85952668
 S  -1.42910359   0.50772913   4.80502922
 H   0.85730879   0.46358803   2.89018917
 H   0.97569569   0.12640062  -3.97361195
 H  -1.09689420  -0.34863771  -5.19863829
 H  -3.24666324  -0.59396755  -3.94354691
 H  -3.30955722  -0.43411682  -1.51500887
 H   2.67531334  -1.52604385  -0.46450525
 H   0.95485221  -2.00955916  -0.26061346
 H   1.97582384  -1.67544773   1.17762767
 H   3.41164487   0.85595946   0.42080439
 H   2.56548906   0.56436233   1.92618925
 H   2.17749074   2.02242491   0.97355883
 O  -0.29580979  -0.74503225   5.09022245
 O  -2.82014923   0.07669084   5.12287606
 H  -0.03177324  -0.63788498   6.02866582
 H   3.40355322   0.60334127  -1.44810056
 H   2.59933634   0.26141175  -3.00075918
 H   2.43676541   1.85297160  -2.24332968
 37
 Energy -1205.452890522
 C  -1.18431223  -0.06001215  -1.25924996
 C  -1.21683621   0.03644473   0.19410155
 C  -0.00268055   0.22130274   0.91199742
 C   1.32715273   0.18044894   0.17930006
 C   1.25352528   0.39790011  -1.29368827
 C   0.05668502   0.11085390  -1.98452628
 C  -2.43461308  -0.05166062   0.91081426
 C  -2.46748710   0.06025334   2.29055071
 C  -1.27269296   0.27292689   2.97533272
 C  -0.05436454   0.35745883   2.30625860
 C   0.05775916  -0.01504899  -3.40969171
 C  -1.09898688  -0.26791502  -4.10664740
 C  -2.31291748  -0.38320015  -3.39998528
 C  -2.34931771  -0.28760016  -2.01679716
 C   1.74666794  -1.37758465   0.05415512
 C   2.43821149   0.93972314   0.92665262
 C   2.49485379   0.76762401  -2.03462024
 H  -3.37503795  -0.21197428   0.38308937
 H  -3.39386642  -0.02582681   2.86699684
 S  -1.43406570   0.50929387   4.81360469
 H   0.85290308   0.50429585   2.89312398
 H   0.99418315   0.07584379  -3.95890725
 H  -1.08075920  -0.37678860  -5.19275341
 H  -3.24176826  -0.56395320  -3.94739284
 H  -3.31182173  -0.40102630  -1.51921203
 H   2.57615758  -1.52366650  -0.65274488
 H   0.88443789  -1.98224890  -0.25312161
 H   2.08135554  -1.68402203   1.05695905
 H   3.41295064   0.85710109   0.43107265
 H   2.57273446   0.51345182   1.92933507
 H   2.18412131   2.00526539   1.02992342
 O  -0.29898539  -0.74379835   5.09099122
 O  -2.82411063   0.07113842   5.12680078
 H  -0.03780329  -0.64421410   6.03106893
 H   3.39925643   0.67835431  -1.42540794
 H   2.63385904   0.18960729  -2.95798708
 H   2.40840807   1.83003024  -2.33474881
 37
 Energy -1205.449691702
 C  -1.18220457  -0.06457413  -1.25627365
 C  -1.21719880   0.03635260   0.19801947
 C  -0.00525879   0.23372081   0.91687817
 C   1.32112216   0.20746569   0.18266916
 C   1.25735477   0.39601339  -1.28524994
 C   0.06074366   0.08961808  -1.97643814
 C  -2.43303386  -0.06138862   0.91477435
 C  -2.46688393   0.05447341   2.29448266
 C  -1.27591971   0.28153047   2.98091648
 C  -0.05884459   0.37754813   2.31140716
 C   0.06879066  -0.04325514  -3.39711848
 C  -1.09005445  -0.27435978  -4.10037562
 C  -2.30788132  -0.37448779  -3.40071668
 C  -2.34746118  -0.27998026  -2.01717243
 C   1.73189127  -1.36721654  -0.04104107
 C   2.43759537   0.94122912   0.94332170
 C   2.50272991   0.75505382  -2.02747309
 H  -3.37144956  -0.23556825   0.38779947
 H  -3.39268734  -0.04107627   2.87047242
 S  -1.43730389   0.50971304   4.82011194
 H   0.84703927   0.53495238   2.89758819
 H   1.00837428   0.03718624  -3.94277302
 H  -1.06807445  -0.37729664  -5.18701039
 H  -3.23698791  -0.53996889  -3.95242606
 H  -3.31315432  -0.37833292  -1.52239976
 H   2.46506290  -1.51500336  -0.84658789
 H   0.83057680  -1.95662107  -0.24496499
 H   2.19548024  -1.68229868   0.90635013
 H   3.41105502   0.87217371   0.44348736
 H   2.57265227   0.49190083   1.93594046
 H   2.18338065   2.00415994   1.07182937
 O  -0.30039821  -0.74384895   5.09172556
 O  -2.82692745   0.06786987   5.13005738
 H  -0.04191073  -0.65024252   6.03313713
 H   3.40125819   0.70038364  -1.40611353
 H   2.65849847   0.14280469  -2.92608898
 H   2.40335501   1.80305889  -2.36887176
 37
 Energy -1205.444740343
 C  -1.18065034  -0.06874715  -1.25647319
 C  -1.21802491   0.03755422   0.19946133
 C  -0.00993762   0.24826146   0.92138798
 C   1.30835551   0.25693777   0.19127248
 C   1.26838710   0.36945232  -1.26685563
 C   0.06346057   0.06421492  -1.96709188
 C  -2.43131831  -0.06754515   0.91654831
 C  -2.46624588   0.05221008   2.29628942
 C  -1.27820391   0.28589705   2.98594311
 C  -0.06329151   0.39060806   2.31801824
 C   0.07608995  -0.06135163  -3.38291707
 C  -1.08559542  -0.27405267  -4.09323670
 C  -2.30585679  -0.37078466  -3.40243332
 C  -2.34699388  -0.27552679  -2.01875409
 C   1.72399344  -1.36882836  -0.14147147
 C   2.43736891   0.95278686   0.95877751
 C   2.51077578   0.73790546  -2.01499540
 H  -3.36807472  -0.25219802   0.39027966
 H  -3.39239223  -0.04804035   2.87116388
 S  -1.43898813   0.50960033   4.82397965
 H   0.84143820   0.55452186   2.90411243
 H   1.01636839   0.01703711  -3.92777712
 H  -1.05808230  -0.36495188  -5.18079949
 H  -3.23391820  -0.52838164  -3.95779399
 H  -3.31422734  -0.36241545  -1.52462994
 H   2.39069981  -1.52629497  -0.99998982
 H   0.79934763  -1.94277812  -0.25834061
 H   2.26954859  -1.65178040   0.77144938
 H   3.40683326   0.88307872   0.45256110
 H   2.56840535   0.49112567   1.94632410
 H   2.19484321   2.01701990   1.10250565
 O  -0.30033890  -0.74418776   5.09259946
 O  -2.82866713   0.06627831   5.13144507
 H  -0.04501255  -0.65431555   6.03528462
 H   3.41124259   0.70825804  -1.39474804
 H   2.67622917   0.11203325  -2.90204710
 H   2.38804177   1.77763991  -2.37082649
 37
 Energy -1205.438799872
 C  -1.17934853  -0.07125955  -1.25885313
 C  -1.21850999   0.03877390   0.19875535
 C  -0.01403165   0.26237852   0.92524926
 C   1.28836739   0.32474093   0.20582672
 C   1.28606752   0.32270362  -1.23945081
 C   0.06397431   0.04348292  -1.95942326
 C  -2.42921769  -0.07146388   0.91660688
 C  -2.46500153   0.05139960   2.29645271
 C  -1.27930945   0.28776167   2.99040507
 C  -0.06699473   0.39866142   2.32510449
 C   0.08055777  -0.07054880  -3.37054882
 C  -1.08437348  -0.27253571  -4.08704052
 C  -2.30586710  -0.36977485  -3.40433855
 C  -2.34752850  -0.27277037  -2.02084900
 C   1.72306901  -1.38252320  -0.23849594
 C   2.43672036   0.96574896   0.97157012
 C   2.51646341   0.72383062  -2.00210636
 H  -3.36467861  -0.26259104   0.39052903
 H  -3.39193263  -0.05076153   2.86995102
 S  -1.43977927   0.50944780   4.82628190
 H   0.83737441   0.56623587   2.91077495
 H   1.02038222   0.00891164  -3.91617973
 H  -1.05191409  -0.35348319  -5.17544001
 H  -3.23276205  -0.52371804  -3.96232142
 H  -3.31552353  -0.35213658  -1.52670943
 H   2.36407280  -1.57854300  -1.10796007
 H   0.78412524  -1.94031069  -0.28320890
 H   2.30113553  -1.58470428   0.67415991
 H   3.39804045   0.88517138   0.45299820
 H   2.56269618   0.49902816   1.95719922
 H   2.21615925   2.03444915   1.12367221
 O  -0.30006836  -0.74446116   5.09314176
 O  -2.82976384   0.06557371   5.13183218
 H  -0.04636926  -0.65781589   6.03649649
 H   3.42593705   0.71368126  -1.39418084
 H   2.68665223   0.09363997  -2.88497332
 H   2.36366636   1.75746098  -2.36009787
 37
 Energy -1205.436010961
 C  -1.17842997  -0.07301587  -1.26104371
 C  -1.21891963   0.03981192   0.19687766
 C  -0.01587718   0.27648861   0.92849881
 C   1.26597451   0.39378583   0.22413742
 C   1.30682765   0.26454751  -1.20818532
 C   0.06411919   0.02781185  -1.95307450
 C  -2.42748870  -0.07437068   0.91591206
 C  -2.46382399   0.05099295   2.29586063
 C  -1.27960566   0.28886898   2.99443668
 C  -0.07027034   0.40502637   2.33241345
 C   0.08398231  -0.07595177  -3.36015626
 C  -1.08395466  -0.27125616  -4.08158143
 C  -2.30655862  -0.36947473  -3.40549477
 C  -2.34869926  -0.27068096  -2.02258438
 C   1.72494949  -1.39423253  -0.33155823
 C   2.43445694   0.97773776   0.98261802
 C   2.51999601   0.71299453  -1.98955566
 H  -3.36203988  -0.27036717   0.39026116
 H  -3.39145585  -0.05215275   2.86861861
 S  -1.44032583   0.50924885   4.82814105
 H   0.83371351   0.57485886   2.91812084
 H   1.02354339   0.00337795  -3.90629539
 H  -1.04697276  -0.34594050  -5.17044839
 H  -3.23214622  -0.52226467  -3.96543707
 H  -3.31714962  -0.34527459  -1.52827983
 H   2.35921599  -1.66204128  -1.18688910
 H   0.77993047  -1.94170265  -0.30732819
 H   2.31142155  -1.50352892   0.59029109
 H   3.38639941   0.88314919   0.45083062
 H   2.55564092   0.51097609   1.96889531
 H   2.23866791   2.05183660   1.14002732
 O  -0.30010103  -0.74444734   5.09368231
 O  -2.83058245   0.06534016   5.13191646
 H  -0.04780186  -0.66012166   6.03770884
 H   3.43993942   0.71740536  -1.39646954
 H   2.69422819   0.08108933  -2.87017988
 H   2.33919666   1.74147554  -2.34468668
 37
 Energy -1205.438773201
 C  -1.17786616  -0.07458144  -1.26229675
 C  -1.21975858   0.04090594   0.19395962
 C  -0.01605799   0.29294823   0.93126150
 C   1.24410378   0.45579461   0.24348249
 C   1.32799168   0.19956680  -1.17690530
 C   0.06599608   0.01456091  -1.94667329
 C  -2.42636193  -0.07719313   0.91477952
 C  -2.46287305   0.05047241   2.29459070
 C  -1.27935916   0.29000825   2.99849629
 C  -0.07375444   0.41236289   2.34040106
 C   0.08724377  -0.08065991  -3.35071244
 C  -1.08306229  -0.27000577  -4.07626366
 C  -2.30761372  -0.36910463  -3.40578412
 C  -2.35041875  -0.26843038  -2.02386702
 C   1.72814702  -1.39872354  -0.42539695
 C   2.43035724   0.99061270   0.99287202
 C   2.52170782   0.70306491  -1.97641084
 H  -3.36013209  -0.27853744   0.39003606
 H  -3.39101476  -0.05418221   2.86699643
 S  -1.44087276   0.50887840   4.83034136
 H   0.83028395   0.58344648   2.92567692
 H   1.02694264  -0.00270418  -3.89674962
 H  -1.04241426  -0.33923809  -5.16554131
 H  -3.23184257  -0.52104459  -3.96775029
 H  -3.31942889  -0.33851659  -1.52969040
 H   2.35254833  -1.75691637  -1.25597177
 H   0.78590177  -1.94474274  -0.33115043
 H   2.32150685  -1.43633723   0.49762426
 H   3.37271227   0.87915023   0.44853270
 H   2.54748295   0.52617105   1.98092864
 H   2.26217994   2.07048485   1.15330290
 O  -0.30034177  -0.74403164   5.09419938
 O  -2.83151668   0.06502871   5.13174882
 H  -0.04766952  -0.66139326   6.03840847
 H   3.45170368   0.71850474  -1.39798069
 H   2.70088865   0.07169670  -2.85633151
 H   2.31588352   1.72723313  -2.32635530
 37
 Energy -1205.444506628
 C  -1.17735194  -0.07617841  -1.26230114
 C  -1.22097671   0.04275276   0.19085789
 C  -0.01667040   0.31455616   0.93412847
 C   1.22570447   0.50548612   0.26081667
 C   1.34677975   0.13585543  -1.15006739
 C   0.07021572   0.00136511  -1.93938600
 C  -2.42574943  -0.08095862   0.91351479
 C  -2.46222607   0.04926742   2.29290025
 C  -1.27945972   0.29197011   3.00304438
 C  -0.07818831   0.42435072   2.34907790
 C   0.09110675  -0.08692001  -3.34094905
 C  -1.08132491  -0.26866336  -4.07009439
 C  -2.30851920  -0.36788681  -3.40564683
 C  -2.35240379  -0.26511358  -2.02444585
 C   1.73472320  -1.40281421  -0.52349924
 C   2.42411187   1.00685728   1.00262611
 C   2.52181380   0.69248208  -1.96143807
 H  -3.35839846  -0.29030057   0.39009954
 H  -3.39056113  -0.05892726   2.86492472
 S  -1.44174129   0.50825746   4.83364764
 H   0.82644037   0.59604629   2.93314191
 H   1.03086926  -0.01171203  -3.88722292
 H  -1.03776405  -0.33113018  -5.15993570
 H  -3.23141262  -0.51719182  -3.97030346
 H  -3.32238042  -0.32848439  -1.53110654
 H   2.32413580  -1.83927790  -1.34399244
 H   0.80314801  -1.95195378  -0.35390866
 H   2.35664820  -1.40580417   0.38190011
 H   3.35841617   0.87336921   0.44969676
 H   2.53582481   0.54799328   1.99408370
 H   2.28618912   2.09262625   1.16065314
 O  -0.30085676  -0.74370416   5.09461992
 O  -2.83298548   0.06449929   5.13152069
 H  -0.04515207  -0.66280382   6.03822881
 H   3.46045230   0.71588833  -1.39614111
 H   2.70631187   0.06634696  -2.84419386
 H   2.29413192   1.71402973  -2.30281259
 37
 Energy -1205.449210502
 C  -1.17650557  -0.07770144  -1.26016062
 C  -1.22232720   0.04626800   0.18989219
 C  -0.01915783   0.34066921   0.93718371
 C   1.21508632   0.53292809   0.27252418
 C   1.35903169   0.09005013  -1.13299025
 C   0.07491236  -0.01195784  -1.93119483
 C  -2.42543053  -0.08694268   0.91356581
 C  -2.46239842   0.04608129   2.29243546
 C  -1.28157350   0.29741576   3.00790644
 C  -0.08462393   0.44664344   2.35691065
 C   0.09607412  -0.09765946  -3.33045249
 C  -1.07786665  -0.26833239  -4.06277379
 C  -2.30831708  -0.36409400  -3.40419978
 C  -2.35372995  -0.25959182  -2.02362762
 C   1.74862230  -1.42017623  -0.62179971
 C   2.41598525   1.02575437   1.01070156
 C   2.52183279   0.68410081  -1.94442245
 H  -3.35602997  -0.30946497   0.39202434
 H  -3.39034965  -0.06995431   2.86410805
 S  -1.44389241   0.50740081   4.83897509
 H   0.81910470   0.62262531   2.94098498
 H   1.03686064  -0.02807048  -3.87570477
 H  -1.03104852  -0.32450644  -5.15288947
 H  -3.23000621  -0.50778822  -3.97200683
 H  -3.32483926  -0.31307261  -1.53115169
 H   2.25419404  -1.89248707  -1.47796785
 H   0.83613933  -1.96854889  -0.36093539
 H   2.44310290  -1.42381266   0.23029331
 H   3.34884236   0.86685297   0.46203020
 H   2.51700425   0.58379988   2.01121304
 H   2.30167339   2.11738536   1.15252574
 O  -0.30230195  -0.74370693   5.09525233
 O  -2.83590581   0.06322120   5.13207563
 H  -0.04344047  -0.66418950   6.03826967
 H   3.46445592   0.70637484  -1.38470319
 H   2.71082691   0.06979810  -2.83440045
 H   2.28233401   1.70736891  -2.27071571
 37
 Energy -1205.452258382
 C  -1.17553188  -0.07790191  -1.25561220
 C  -1.22333983   0.04997902   0.19250257
 C  -0.02172693   0.36268658   0.93976177
 C   1.21295610   0.53490870   0.27902692
 C   1.36591609   0.06448067  -1.12535885
 C   0.07788888  -0.02265423  -1.92340911
 C  -2.42481652  -0.09609249   0.91663390
 C  -2.46320783   0.03921558   2.29513059
 C  -1.28599644   0.31008936   3.01208851
 C  -0.09315594   0.48011800   2.36156687
 C   0.10121651  -0.11411664  -3.32092537
 C  -1.07324919  -0.27184822  -4.05559143
 C  -2.30682278  -0.35579861  -3.40088073
 C  -2.35403731  -0.25037672  -2.02085341
 C   1.76909503  -1.44768406  -0.71218089
 C   2.40986179   1.03879779   1.01332271
 C   2.52282869   0.68584878  -1.92855485
 H  -3.35171849  -0.33577808   0.39607245
 H  -3.38904308  -0.09132427   2.86734373
 S  -1.44859405   0.50735651   4.84650414
 H   0.80784183   0.66892854   2.94566445
 H   1.04368870  -0.05437287  -3.86452450
 H  -1.02443396  -0.32570354  -5.14581173
 H  -3.22820375  -0.48907784  -3.97168697
 H  -3.32656774  -0.29147977  -1.52996430
 H   2.14730456  -1.92137057  -1.63086523
 H   0.89049760  -1.99203738  -0.34444561
 H   2.56507441  -1.46704105   0.04621655
 H   3.34784454   0.84584894   0.48409173
 H   2.49239484   0.63753328   2.03216075
 H   2.31169802   2.13764484   1.10943449
 O  -0.30592881  -0.74377980   5.09501288
 O  -2.84063027   0.05971549   5.13406032
 H  -0.04427907  -0.66780984   6.03755326
 H   3.46678652   0.69366422  -1.37042133
 H   2.71206257   0.09285013  -2.83263825
 H   2.28210266   1.71625639  -2.23004026
 37
 Energy -1205.454090992
 C  -1.17422383  -0.07593447  -1.25017103
 C  -1.22267002   0.05075093   0.19722523
 C  -0.02188818   0.37552997   0.94303107
 C   1.21555799   0.52239126   0.28425967
 C   1.37197171   0.04659732  -1.12260180
 C   0.07980895  -0.03137885  -1.91695646
 C  -2.42216288  -0.10944654   0.92185320
 C  -2.46271045   0.02904340   2.30000979
 C  -1.29132360   0.32908464   3.01597659
 C  -0.10160232   0.51583510   2.36486812
 C   0.10478893  -0.13540849  -3.31301321
 C  -1.07001584  -0.28089850  -4.04892546
 C  -2.30618365  -0.34276983  -3.39631056
 C  -2.35428387  -0.23507227  -2.01676686
 C   1.79300421  -1.46981148  -0.79072998
 C   2.41216094   1.03701917   1.00858760
 C   2.52007204   0.70343563  -1.91509400
 H  -3.34437401  -0.36796864   0.40186477
 H  -3.38507579  -0.11984517   2.87363163
 S  -1.45681149   0.50976817   4.85516011
 H   0.79518099   0.72305049   2.94898971
 H   1.04930232  -0.09183710  -3.85479436
 H  -1.02005776  -0.34030554  -5.13880227
 H  -3.22841966  -0.46227232  -3.96869335
 H  -3.32796751  -0.26065573  -1.52697947
 H   2.05301027  -1.93422588  -1.75379659
 H   0.95976562  -2.01760806  -0.33172977
 H   2.67116840  -1.50208696  -0.12953065
 H   3.35450407   0.76916589   0.51970734
 H   2.45878200   0.72167778   2.05830073
 H   2.35501999   2.14376912   1.00735783
 O  -0.31222462  -0.74169956   5.09222979
 O  -2.84738875   0.05278166   5.13557909
 H  -0.05329443  -0.67626105   6.03638762
 H   3.46725685   0.69469869  -1.36221063
 H   2.70642303   0.14340031  -2.84021861
 H   2.27365568   1.74270971  -2.17891104
 37
 Energy -1205.455251521
 C  -1.17264610  -0.07221766  -1.24527846
 C  -1.21973161   0.04936823   0.20210180
 C  -0.01916334   0.38150731   0.94754721
 C   1.21976873   0.50713184   0.28946570
 C   1.37640065   0.03421261  -1.12168604
 C   0.08105814  -0.04021759  -1.91201662
 C  -2.41701365  -0.12498122   0.92676834
 C  -2.46039442   0.01887291   2.30429616
 C  -1.29537568   0.34507026   3.01931679
 C  -0.10649602   0.54012421   2.36906351
 C   0.10592160  -0.15921371  -3.30673145
 C  -1.07000402  -0.29354979  -4.04239157
 C  -2.30809171  -0.32759170  -3.39063466
 C  -2.35533967  -0.21461336  -2.01174769
 C   1.81868581  -1.48155655  -0.85158241
 C   2.42456606   1.02137852   0.99721992
 C   2.50954881   0.73440981  -1.90287329
 H  -3.33436896  -0.40119258   0.40717514
 H  -3.37979550  -0.14455472   2.87896208
 S  -1.46750787   0.51387783   4.86185941
 H   0.78657319   0.75989468   2.95401536
 H   1.05196919  -0.13524974  -3.84748558
 H  -1.02015132  -0.36363850  -5.13165841
 H  -3.23173393  -0.43203498  -3.96369853
 H  -3.32944088  -0.22045229  -1.52203913
 H   2.01596110  -1.92968546  -1.83669792
 H   1.02007365  -2.04449172  -0.35019586
 H   2.73727540  -1.52040753  -0.24827518
 H   3.35780590   0.61856590   0.58539579
 H   2.41523096   0.85250913   2.07934792
 H   2.46180603   2.11793671   0.83753795
 O  -0.31971537  -0.73599252   5.08931795
 O  -2.85603865   0.04578757   5.13446759
 H  -0.06566847  -0.68209486   6.03558731
 H   3.45910307   0.72326278  -1.35391924
 H   2.69852155   0.20863293  -2.84719982
 H   2.24434793   1.77744338  -2.13157625
 37
 Energy -1205.456032094
 C  -1.17138797  -0.06632430  -1.24077425
 C  -1.21523730   0.04824523   0.20653050
 C  -0.01386288   0.38240503   0.95201067
 C   1.22466437   0.49355857   0.29269084
 C   1.37945609   0.02619714  -1.12287804
 C   0.08137579  -0.05027427  -1.90841814
 C  -2.41055917  -0.13888786   0.93066335
 C  -2.45620321   0.00949118   2.30731433
 C  -1.29559680   0.35184252   3.02199417
 C  -0.10571442   0.54901347   2.37394645
 C   0.10450593  -0.18729494  -3.30151404
 C  -1.07345458  -0.30958656  -4.03552115
 C  -2.31248468  -0.31011071  -3.38381568
 C  -2.35746404  -0.18914149  -2.00581153
 C   1.84702700  -1.48485050  -0.90009155
 C   2.44087426   0.99978106   0.98463871
 C   2.49332662   0.77167160  -1.89333472
 H  -3.32371234  -0.42835889   0.41079929
 H  -3.37371218  -0.16217326   2.88281338
 S  -1.47986407   0.51895537   4.86525152
 H   0.78569387   0.77205314   2.96015077
 H   1.05155804  -0.18615450  -3.84159392
 H  -1.02513895  -0.39381876  -5.12385209
 H  -3.23803745  -0.39769050  -3.95659714
 H  -3.33111688  -0.17146990  -1.51540192
 H   2.02180743  -1.91334436  -1.89787166
 H   1.07071587  -2.06938028  -0.38779309
 H   2.78253832  -1.52384034  -0.32357903
 H   3.34454962   0.45186854   0.68167665
 H   2.37703500   0.99850938   2.07667564
 H   2.59903531   2.04799990   0.66175310
 O  -0.32693752  -0.72528464   5.09420787
 O  -2.86671501   0.04028871   5.12825377
 H  -0.07856764  -0.67507983   6.04221232
 H   3.44466594   0.76467160  -1.34695680
 H   2.68669245   0.27892262  -2.85432106
 H   2.20312580   1.81467938  -2.09031809
 37
 Energy -1205.456317926
 C  -1.17055189  -0.05782920  -1.23779887
 C  -1.21063709   0.04736369   0.20944953
 C  -0.00698456   0.37294450   0.95578378
 C   1.23092582   0.47576788   0.29546471
 C   1.38255155   0.02275431  -1.12655579
 C   0.08118865  -0.06068912  -1.90629749
 C  -2.40530601  -0.14599272   0.93261321
 C  -2.45156526   0.00169369   2.30875768
 C  -1.29263936   0.34865370   3.02445004
 C  -0.10052994   0.54116221   2.37872136
 C   0.10084072  -0.21974794  -3.29734275
 C  -1.07940009  -0.32952135  -4.02907126
 C  -2.31841460  -0.29135204  -3.37763777
 C  -2.36011329  -0.15967998  -2.00086159
 C   1.88498803  -1.47988219  -0.95142409
 C   2.45439619   0.96945793   0.98403227
 C   2.47111131   0.81623854  -1.88914108
 H  -3.31673646  -0.43886622   0.41163006
 H  -3.36867896  -0.17220902   2.88427485
 S  -1.49255280   0.52579047   4.86602832
 H   0.79082467   0.76179658   2.96602242
 H   1.04787269  -0.24585833  -3.83737175
 H  -1.03339813  -0.43178816  -5.11595561
 H  -3.24577684  -0.36135765  -3.94990743
 H  -3.33246776  -0.11656105  -1.50940651
 H   2.05578386  -1.87768868  -1.96247378
 H   1.12924062  -2.09596903  -0.44511343
 H   2.82916311  -1.51409365  -0.38901527
 H   3.33792998   0.36598636   0.72641190
 H   2.37255096   1.02747924   2.07297688
 H   2.66673607   1.98979298   0.60973757
 O  -0.33319961  -0.70811094   5.11273461
 O  -2.87855248   0.03885243   5.11937613
 H  -0.09319219  -0.65051509   6.06247551
 H   3.43228498   0.79907443  -1.36011275
 H   2.65054799   0.36813903  -2.87419757
 H   2.16180837   1.86201474  -2.03652127
 37
 Energy -1205.456506619
 C  -1.17053037  -0.05362477  -1.23654191
 C  -1.20827969   0.04583350   0.21068645
 C  -0.00120105   0.35406458   0.95902315
 C   1.23706159   0.45011273   0.29891660
 C   1.38472585   0.02433592  -1.13236373
 C   0.08035293  -0.06886416  -1.90560454
 C  -2.40472928  -0.14213814   0.93248297
 C  -2.45108369   0.00295593   2.30847110
 C  -1.29076994   0.34235434   3.02616966
 C  -0.09519959   0.52099336   2.38276632
 C   0.09737919  -0.24211224  -3.29528432
 C  -1.08388073  -0.34540772  -4.02553052
 C  -2.32249375  -0.28267339  -3.37445034
 C  -2.36202864  -0.14301761  -1.99865568
 C   1.92749210  -1.46578586  -0.99862944
 C   2.46651966   0.91936704   0.99536645
 C   2.44166385   0.87034233  -1.88698919
 H  -3.31751889  -0.42779509   0.40995911
 H  -3.36994321  -0.16573435   2.88274082
 S  -1.50166886   0.53517302   4.86536520
 H   0.79686805   0.73473837   2.97153054
 H   1.04428977  -0.28479535  -3.83498613
 H  -1.03961194  -0.46062560  -5.11118371
 H  -3.25076741  -0.34277931  -3.94636726
 H  -3.33342393  -0.08471676  -1.50689925
 H   2.08536682  -1.84532449  -2.01861108
 H   1.19843468  -2.10987429  -0.48745914
 H   2.88396069  -1.48792875  -0.45692244
 H   3.35387010   0.34675893   0.68835516
 H   2.40181224   0.90922236   2.08728870
 H   2.65632091   1.96484500   0.68268532
 O  -0.33648695  -0.68817994   5.13319385
 O  -2.88659676   0.04288788   5.11452875
 H  -0.10185634  -0.61732986   6.08336967
 H   3.41173804   0.86118742  -1.37414156
 H   2.61318637   0.45919997  -2.88938188
 H   2.10241855   1.91156445  -1.99479030
 37
 Energy -1205.456665246
 C  -1.17131112  -0.05720526  -1.23566047
 C  -1.20866423   0.04271447   0.21132685
 C   0.00126620   0.33487142   0.96171818
 C   1.24099262   0.42171634   0.30379805
 C   1.38524167   0.02750427  -1.13655174
 C   0.07924188  -0.07403664  -1.90494550
 C  -2.40793782  -0.13272982   0.93204472
 C  -2.45452032   0.01268249   2.30771301
 C  -1.29182757   0.34162828   3.02709171
 C  -0.09303074   0.50367011   2.38554911
 C   0.09607661  -0.24984340  -3.29457933
 C  -1.08487409  -0.35368278  -4.02470180
 C  -2.32349596  -0.28714775  -3.37347339
 C  -2.36300449  -0.14572704  -1.99808665
 C   1.96639028  -1.44920894  -1.04513251
 C   2.47683296   0.85747693   1.01293980
 C   2.41069066   0.92536475  -1.87866822
 H  -3.32337152  -0.40790083   0.40866800
 H  -3.37581696  -0.14720005   2.88047340
 S  -1.50690231   0.54609668   4.86455092
 H   0.79993879   0.71149963   2.97506099
 H   1.04356255  -0.29544363  -3.83348316
 H  -1.04095512  -0.47281975  -5.10993892
 H  -3.25178641  -0.34683641  -3.94542056
 H  -3.33458164  -0.08639068  -1.50693510
 H   2.11605956  -1.80519575  -2.07471571
 H   1.26206186  -2.12185353  -0.53568947
 H   2.93209372  -1.46036177  -0.52006195
 H   3.36859693   0.33133364   0.64516257
 H   2.43235948   0.75259975   2.10147264
 H   2.63843079   1.93044094   0.78944693
 O  -0.33491151  -0.66799356   5.14446473
 O  -2.88974114   0.04793910   5.11453411
 H  -0.10201326  -0.58703100   6.09425056
 H   3.38448704   0.93621521  -1.37301644
 H   2.58524110   0.54348959  -2.89213711
 H   2.03616568   1.95684945  -1.95854773
 37
 Energy -1205.45680431
 C  -1.17230437  -0.06353443  -1.23495405
 C  -1.21015776   0.03884748   0.21174356
 C   0.00203929   0.31713190   0.96374324
 C   1.24370232   0.39239824   0.30910292
 C   1.38541720   0.03024648  -1.13938397
 C   0.07825986  -0.07669787  -1.90435451
 C  -2.41215540  -0.12246122   0.93172218
 C  -2.45855964   0.02504334   2.30698517
 C  -1.29336296   0.34410041   3.02747464
 C  -0.09206439   0.49032561   2.38727746
 C   0.09569925  -0.25029063  -3.29443019
 C  -1.08440966  -0.35814026  -4.02483742
 C  -2.32335164  -0.29707968  -3.37324549
 C  -2.36359195  -0.15655770  -1.99794776
 C   2.00148760  -1.43230189  -1.09395298
 C   2.48488641   0.79113695   1.03325386
 C   2.38179796   0.97759175  -1.86338476
 H  -3.33042183  -0.38714126   0.40804029
 H  -3.38216208  -0.12511108   2.87856237
 S  -1.50950843   0.55740941   4.86377671
 H   0.80196478   0.69433226   2.97660630
 H   1.04392333  -0.29286584  -3.83266230
 H  -1.04016592  -0.47743755  -5.11003747
 H  -3.25146254  -0.36079054  -3.94504016
 H  -3.33571445  -0.10276099  -1.50739923
 H   2.15141172  -1.75810601  -2.13334960
 H   1.31679380  -2.13485381  -0.59802197
 H   2.97120533  -1.43672875  -0.57657201
 H   3.37985561   0.31628496   0.61044954
 H   2.45730048   0.58779035   2.10913499
 H   2.62160948   1.88320483   0.90655341
 O  -0.33364632  -0.65138536   5.15045655
 O  -2.89132543   0.05747878   5.11564578
 H  -0.10204008  -0.56538210   6.10011810
 H   3.35971099   0.99877719  -1.36597898
 H   2.55405738   0.63073529  -2.88984065
 H   1.97965605   2.00068323  -1.90783706
 37
 Energy -1205.456956687
 C  -1.17345423  -0.07073675  -1.23460426
 C  -1.21196476   0.03550511   0.21173456
 C   0.00216566   0.30110147   0.96472232
 C   1.24563173   0.36393020   0.31331762
 C   1.38519696   0.03218486  -1.14185917
 C   0.07720074  -0.07957840  -1.90404354
 C  -2.41618099  -0.11145917   0.93162141
 C  -2.46139896   0.03830786   2.30649625
 C  -1.29334253   0.34743451   3.02751291
 C  -0.09017492   0.47861853   2.38791174
 C   0.09533606  -0.24843211  -3.29481118
 C  -1.08394041  -0.36060398  -4.02546741
 C  -2.32315759  -0.30789365  -3.37338664
 C  -2.36422493  -0.16932342  -1.99803879
 C   2.03486004  -1.41435249  -1.13788203
 C   2.49080610   0.72317782   1.05393869
 C   2.35252709   1.02600166  -1.84696982
 H  -3.33758044  -0.36545815   0.40826919
 H  -3.38688059  -0.10165196   2.87754431
 S  -1.50983190   0.56879826   4.86282574
 H   0.80599475   0.67934779   2.97545355
 H   1.04420812  -0.28570906  -3.83262202
 H  -1.03933735  -0.47820446  -5.11082371
 H  -3.25095208  -0.37653228  -3.94513351
 H  -3.33684941  -0.12256249  -1.50791545
 H   2.18070078  -1.71482234  -2.18537619
 H   1.37165823  -2.14343322  -0.65077796
 H   3.01015394  -1.40968349  -0.63142975
 H   3.39089107   0.32068906   0.57369693
 H   2.48317892   0.40221069   2.10238371
 H   2.59420022   1.82600945   1.04849572
 O  -0.33469243  -0.63946386   5.15509645
 O  -2.89219975   0.07097890   5.11615275
 H  -0.10357310  -0.54936911   6.10447734
 H   3.33192442   1.06318336  -1.35335701
 H   2.52715169   0.70844725  -2.88262284
 H   1.92097222   2.03779182  -1.86404949
 37
 Energy -1205.457124529
 C  -1.17491357  -0.07798376  -1.23447003
 C  -1.21436588   0.03296530   0.21141512
 C   0.00134055   0.28764465   0.96477186
 C   1.24642595   0.33752337   0.31671563
 C   1.38476853   0.03370399  -1.14382835
 C   0.07603714  -0.08366722  -1.90359552
 C  -2.42020175  -0.10073891   0.93163684
 C  -2.46346109   0.05119321   2.30616918
 C  -1.29253487   0.35130150   3.02728454
 C  -0.08815804   0.46919399   2.38768190
 C   0.09498586  -0.24844708  -3.29492065
 C  -1.08347065  -0.36407496  -4.02611750
 C  -2.32305270  -0.31851147  -3.37384883
 C  -2.36508472  -0.18166785  -1.99840781
 C   2.06938861  -1.39389775  -1.18004130
 C   2.49353744   0.65693554   1.07518680
 C   2.32163270   1.07262078  -1.82937233
 H  -3.34459270  -0.34509411   0.40903915
 H  -3.39027296  -0.07934847   2.87719860
 S  -1.50931289   0.57946668   4.86186885
 H   0.81060844   0.66681650   2.97279254
 H   1.04458312  -0.28137907  -3.83204064
 H  -1.03834150  -0.48022881  -5.11161876
 H  -3.25042349  -0.39128522  -3.94576806
 H  -3.33815386  -0.14074317  -1.50871550
 H   2.21772457  -1.66643977  -2.23471429
 H   1.42638820  -2.15057353  -0.70801864
 H   3.04688704  -1.37942447  -0.67828911
 H   3.39888363   0.34096893   0.54499006
 H   2.50638440   0.21172423   2.07891113
 H   2.56015462   1.75456181   1.20407092
 O  -0.33415330  -0.62776294   5.15892636
 O  -2.89161434   0.08178274   5.11609015
 H  -0.10325965  -0.53391533   6.10799380
 H   3.30209923   1.12559391  -1.33917112
 H   2.49721694   0.78361270  -2.87334406
 H   1.86151816   2.07170063  -1.81971161
 37
 Energy -1205.457285874
 C  -1.17647228  -0.08418699  -1.23479412
 C  -1.21741167   0.03281513   0.21056107
 C  -0.00022396   0.27597711   0.96466139
 C   1.24643350   0.31212851   0.32011254
 C   1.38435119   0.03455947  -1.14496091
 C   0.07520814  -0.08891002  -1.90287860
 C  -2.42498379  -0.08633639   0.93086291
 C  -2.46626582   0.06653069   2.30527701
 C  -1.29210650   0.35443253   3.02702314
 C  -0.08664088   0.45893852   2.38752167
 C   0.09566727  -0.25140821  -3.29446339
 C  -1.08167476  -0.37070377  -4.02667932
 C  -2.32189179  -0.33076575  -3.37509606
 C  -2.36556742  -0.19356653  -1.99980411
 C   2.10548536  -1.37052207  -1.22074467
 C   2.49497448   0.59126943   1.09444490
 C   2.28846365   1.11930126  -1.80841776
 H  -3.35252918  -0.31908850   0.40862165
 H  -3.39472759  -0.05329457   2.87589261
 S  -1.50775893   0.58883153   4.86087277
 H   0.81512485   0.65018098   2.97054624
 H   1.04616621  -0.28168780  -3.83051469
 H  -1.03543972  -0.48691475  -5.11212807
 H  -3.24853684  -0.40821796  -3.94757580
 H  -3.33926802  -0.15770128  -1.51104836
 H   2.25580588  -1.61688060  -2.28147024
 H   1.48497868  -2.15443013  -0.76299930
 H   3.08516837  -1.34375911  -0.72407962
 H   3.40303921   0.35754457   0.52887140
 H   2.52574433   0.03603867   2.04315642
 H   2.53220393   1.66764146   1.34777431
 O  -0.33391886  -0.61878421   5.16159840
 O  -2.89088431   0.09415660   5.11694905
 H  -0.10231790  -0.52166571   6.11015917
 H   3.27023742   1.18645531  -1.32240287
 H   2.46248216   0.86145100  -2.86096561
 H   1.80049741   2.10430948  -1.76940380
 37
 Energy -1205.457391819
 C  -1.17772632  -0.09102487  -1.23473173
 C  -1.22000043   0.03324552   0.21000351
 C  -0.00115180   0.26326271   0.96506326
 C   1.24679351   0.28603645   0.32349641
 C   1.38403847   0.03473712  -1.14586111
 C   0.07454149  -0.09505988  -1.90198060
 C  -2.42960974  -0.06795049   0.92997592
 C  -2.46915932   0.08560980   2.30435943
 C  -1.29142837   0.35722102   3.02730344
 C  -0.08479846   0.44626869   2.38807606
 C   0.09617873  -0.25495374  -3.29386377
 C  -1.08003809  -0.37890042  -4.02687968
 C  -2.32071037  -0.34553142  -3.37561861
 C  -2.36581962  -0.20704330  -2.00054565
 C   2.14290535  -1.34434606  -1.26454988
 C   2.49680504   0.52880505   1.10913520
 C   2.25305870   1.16565062  -1.78435277
 H  -3.36064571  -0.28615755   0.40773341
 H  -3.39980816  -0.02067150   2.87403201
 S  -1.50507914   0.59751880   4.86046151
 H   0.82042999   0.62900956   2.96869462
 H   1.04743582  -0.28048411  -3.82906668
 H  -1.03282756  -0.49506046  -5.11228213
 H  -3.24668959  -0.42873849  -3.94837767
 H  -3.34009236  -0.17675412  -1.51263812
 H   2.29284705  -1.56099299  -2.33160406
 H   1.54833150  -2.15687233  -0.82243807
 H   3.12562297  -1.30395398  -0.77510475
 H   3.40518284   0.36106330   0.52178994
 H   2.54170333  -0.11030328   2.00445934
 H   2.51558273   1.57697246   1.46037154
 O  -0.33700360  -0.61501733   5.16396457
 O  -2.89068350   0.11107713   5.11848248
 H  -0.10381233  -0.51569568   6.11190324
 H   3.23610508   1.24585801  -1.30256286
 H   2.42355775   0.94147881  -2.84535500
 H   1.73772428   2.13468646  -1.71313528
 37
 Energy -1205.457535459
 C  -1.17824515  -0.09921913  -1.23396307
 C  -1.22139017   0.03304362   0.21013497
 C  -0.00033758   0.24684368   0.96661657
 C   1.24827818   0.25826728   0.32673681
 C   1.38401149   0.03494554  -1.14709639
 C   0.07408044  -0.10145520  -1.90115430
 C  -2.43356449  -0.04518964   0.92878278
 C  -2.47227428   0.11017418   2.30294565
 C  -1.29071480   0.35999188   3.02780430
 C  -0.08203578   0.42816191   2.39000727
 C   0.09618864  -0.25741866  -3.29350632
 C  -1.07918944  -0.38727578  -4.02662876
 C  -2.31983373  -0.36334352  -3.37468684
 C  -2.36557251  -0.22374541  -1.99981729
 C   2.18042612  -1.31495882  -1.31082235
 C   2.50028611   0.47097279   1.11851174
 C   2.21589501   1.21194122  -1.75717073
 H  -3.36816458  -0.24522649   0.40577304
 H  -3.40588126   0.02139211   2.87065145
 S  -1.50287752   0.60585128   4.86032532
 H   0.82519934   0.59361588   2.97278304
 H   1.04780064  -0.27657332  -3.82859061
 H  -1.03145493  -0.50240268  -5.11211379
 H  -3.24538301  -0.45418482  -3.94697446
 H  -3.34010002  -0.20127670  -1.51215272
 H   2.32937307  -1.50073703  -2.38361792
 H   1.61324493  -2.15597024  -0.88617245
 H   3.16583354  -1.26088529  -0.82851863
 H   3.40744078   0.34048320   0.52013611
 H   2.55113123  -0.21874303   1.97609747
 H   2.51422991   1.49634597   1.53025008
 O  -0.34193782  -0.61277415   5.16665986
 O  -2.89165050   0.12912545   5.11922553
 H  -0.10896823  -0.51333124   6.11463475
 H   3.19920984   1.30597149  -1.27808429
 H   2.38299758   1.02226032  -2.82562682
 H   1.67259173   2.16271921  -1.65449348
 37
 Energy -1205.457604833
 C  -1.17920737  -0.10929912  -1.23280351
 C  -1.22222431   0.03286878   0.21043665
 C   0.00073573   0.23385587   0.96735141
 C   1.24951521   0.23769491   0.32787531
 C   1.38319068   0.03694269  -1.14922636
 C   0.07290098  -0.11128636  -1.90037076
 C  -2.43617707  -0.02410576   0.92817739
 C  -2.47363889   0.13289008   2.30214685
 C  -1.28862191   0.36217497   3.02836636
 C  -0.07877418   0.41282582   2.39120417
 C   0.09488645  -0.26653435  -3.29283433
 C  -1.08010741  -0.40316501  -4.02518323
 C  -2.32034472  -0.38660451  -3.37225391
 C  -2.36617008  -0.24344977  -1.99777362
 C   2.22115694  -1.27950491  -1.34877693
 C   2.50299308   0.42626810   1.12405314
 C   2.17426606   1.25622603  -1.73616069
 H  -3.37389823  -0.20722761   0.40464293
 H  -3.40947241   0.06085494   2.86851222
 S  -1.49877714   0.61348142   4.86022791
 H   0.83055984   0.56484484   2.97443908
 H   1.04643652  -0.28054765  -3.82839201
 H  -1.03258894  -0.51941033  -5.11056104
 H  -3.24566186  -0.48558510  -3.94356938
 H  -3.34063328  -0.22755634  -1.50980920
 H   2.34745962  -1.45446655  -2.42595456
 H   1.69914985  -2.14466030  -0.91439261
 H   3.21750924  -1.18982332  -0.89565884
 H   3.40902290   0.34722533   0.51540294
 H   2.56752524  -0.31858499   1.93448468
 H   2.50306250   1.42101023   1.60367212
 O  -0.34822918  -0.61414403   5.16955239
 O  -2.89189190   0.15002461   5.11975810
 H  -0.11335420  -0.51312220   6.11689573
 H   3.15688093   1.36913448  -1.25937731
 H   2.33843850   1.09502038  -2.80995308
 H   1.60174174   2.18651872  -1.60832402
 37
 Energy -1205.457610369
 C  -1.17831832  -0.12001756  -1.23117944
 C  -1.22105713   0.03022153   0.21136175
 C   0.00326588   0.22416468   0.96804195
 C   1.25158570   0.22612054   0.32795879
 C   1.38339604   0.04438682  -1.15160511
 C   0.07302718  -0.11459526  -1.90041083
 C  -2.43582084  -0.01137337   0.92888172
 C  -2.47196755   0.14804725   2.30262102
 C  -1.28449160   0.36218241   3.02936615
 C  -0.07429742   0.40115280   2.39225544
 C   0.09440068  -0.26947163  -3.29291630
 C  -1.08018567  -0.41931035  -4.02330244
 C  -2.31939805  -0.41635221  -3.36824796
 C  -2.36475190  -0.26957226  -1.99414079
 C   2.24811598  -1.24770221  -1.38201513
 C   2.50640845   0.40250429   1.12486429
 C   2.14304404   1.29494096  -1.71820981
 H  -3.37594131  -0.18195333   0.40545809
 H  -3.40903487   0.09027742   2.86866052
 S  -1.49166369   0.61880281   4.86089285
 H   0.83676918   0.54464199   2.97503766
 H   1.04529014  -0.27403429  -3.82983932
 H  -1.03314416  -0.53682008  -5.10856327
 H  -3.24438698  -0.52846619  -3.93766366
 H  -3.33860367  -0.26533530  -1.50479872
 H   2.39599028  -1.38457903  -2.46191944
 H   1.73298703  -2.13503941  -0.98612576
 H   3.23586031  -1.16194843  -0.90964895
 H   3.41023449   0.35712299   0.50947410
 H   2.58306717  -0.37399975   1.90460923
 H   2.49769760   1.37655577   1.64413051
 O  -0.37107178  -0.63553798   5.17193186
 O  -2.89566214   0.18836813   5.11875053
 H  -0.13710788  -0.54195166   6.12027465
 H   3.12696903   1.41862174  -1.24668608
 H   2.29970827   1.15896055  -2.79673974
 H   1.55137674   2.20940304  -1.56572937
