 37
 Energy -1205.461192711
 C  -1.15776853   0.16005563  -1.29714939
 C  -1.22693265   0.09021768   0.15227907
 C  -0.02680102  -0.00028803   0.90305916
 C   1.33833761  -0.02971976   0.24343866
 C   1.31932001   0.00112953  -1.25157717
 C   0.12174165   0.10392967  -1.97782378
 C  -2.47129196   0.10341892   0.83623682
 C  -2.53629972   0.03063080   2.21565880
 C  -1.33896340  -0.06138830   2.93375048
 C  -0.10906564  -0.05651034   2.29914257
 C   0.15086191   0.15258276  -3.41275767
 C  -1.00244877   0.26003912  -4.14834237
 C  -2.24343941   0.32672767  -3.47662511
 C  -2.31444281   0.27743819  -2.09385922
 C   2.09733463  -1.32324354   0.70111984
 C   2.13686935   1.24115503   0.71577955
 C   2.63199679  -0.07100667  -1.96650637
 H  -3.40590127   0.16068722   0.27831222
 H  -3.50163613   0.02792886   2.72767903
 S  -1.28729067  -0.08488989   4.78152392
 H   0.76953697  -0.11995219   2.95113827
 H   1.10933683   0.10496410  -3.92987571
 H  -0.96566549   0.29716214  -5.23887250
 H  -3.16589233   0.41846437  -4.05629768
 H  -3.29699585   0.33342874  -1.62678379
 H   3.11923004  -1.35501751   0.30091848
 H   1.55501452  -2.22427449   0.37924278
 H   2.16356372  -1.33039387   1.79739840
 H   3.15680469   1.24767183   0.30823956
 H   2.20375734   1.22320464   1.81240695
 H   1.61859176   2.16208713   0.41122639
 O   0.16481268  -0.17641271   5.11650526
 O  -2.02734179  -1.62216392   4.81025238
 H  -2.37734399  -1.72353112   5.72106082
 H   3.48634721  -0.09140699  -1.28280504
 H   2.67653445  -0.97964640  -2.59250027
 H   2.75653587   0.78900763  -2.64530163
 37
 Energy -1205.461140538
 C  -1.15583749   0.17295931  -1.29584676
 C  -1.22577110   0.09812925   0.15327213
 C  -0.02632587   0.00180132   0.90429686
 C   1.33888892  -0.02424718   0.24433935
 C   1.31858600  -0.02139092  -1.25111279
 C   0.12168698   0.09080281  -1.97749725
 C  -2.47072855   0.10827985   0.83608346
 C  -2.53687057   0.02954078   2.21510353
 C  -1.33996606  -0.06346062   2.93368881
 C  -0.10942831  -0.05547162   2.30027722
 C   0.14888968   0.12574732  -3.41285297
 C  -1.00320263   0.25288819  -4.14734346
 C  -2.24065187   0.35760607  -3.47414833
 C  -2.31043601   0.31744702  -2.09100979
 C   2.12823930  -1.28308971   0.73820787
 C   2.10818522   1.28054062   0.67886560
 C   2.62940087  -0.12439994  -1.96513271
 H  -3.40486504   0.16416108   0.27718261
 H  -3.50264812   0.02234341   2.72625791
 S  -1.29055840  -0.09787229   4.78122416
 H   0.76845651  -0.11952348   2.95308692
 H   1.10478584   0.05267506  -3.93169485
 H  -0.96767731   0.27978923  -5.23821878
 H  -3.16126926   0.47131648  -4.05284377
 H  -3.29012024   0.40281272  -1.62229438
 H   3.15021304  -1.30319730   0.33779150
 H   1.60729540  -2.20571684   0.44327043
 H   2.19838740  -1.25903915   1.83378257
 H   3.12881714   1.29604008   0.27297565
 H   2.17058454   1.29490549   1.77601075
 H   1.57054664   2.18013435   0.34561681
 O   0.16150914  -0.18399642   5.11773263
 O  -2.02214649  -1.63925428   4.79949503
 H  -2.37531728  -1.74752630   5.70828626
 H   3.48573085  -0.09614463  -1.28403484
 H   2.67806318  -1.07400160  -2.52811371
 H   2.74721034   0.68779189  -2.70030767
 37
 Energy -1205.461051628
 C  -1.15378143   0.18458274  -1.29439635
 C  -1.22426842   0.10352673   0.15435849
 C  -0.02524338   0.00222581   0.90532163
 C   1.33974778  -0.01917488   0.24426780
 C   1.31753834  -0.04457151  -1.25121911
 C   0.12121087   0.07811419  -1.97739432
 C  -2.46969236   0.10946684   0.83619622
 C  -2.53664857   0.02537745   2.21490832
 C  -1.33995168  -0.06712795   2.93376193
 C  -0.10888978  -0.05583822   2.30121823
 C   0.14553010   0.10217840  -3.41297814
 C  -1.00527442   0.24975998  -4.14590025
 C  -2.23811833   0.38988686  -3.47100560
 C  -2.30593256   0.35631104  -2.08751886
 C   2.16069718  -1.24003063   0.77338975
 C   2.07768153   1.31895499   0.63844187
 C   2.62596626  -0.17945539  -1.96350117
 H  -3.40344509   0.16292926   0.27635973
 H  -3.50273418   0.01300846   2.72536793
 S  -1.29192927  -0.10910587   4.78095562
 H   0.76834819  -0.12026180   2.95463045
 H   1.09811859   0.00559810  -3.93389759
 H  -0.97122743   0.26891530  -5.23698120
 H  -3.15658791   0.52567504  -4.04834104
 H  -3.28180931   0.46918347  -1.61659132
 H   3.18204655  -1.24755516   0.37132029
 H   1.66254345  -2.18402386   0.50802437
 H   2.23539679  -1.18299753   1.86724049
 H   3.09661459   1.34752355   0.22858322
 H   2.14050465   1.36417160   1.73488768
 H   1.51677264   2.19479329   0.28123681
 O   0.15988723  -0.19509552   5.11863327
 O  -2.02229318  -1.65105681   4.79281479
 H  -2.37582437  -1.76322562   5.70100097
 H   3.48436093  -0.10130184  -1.28863051
 H   2.67914566  -1.16672870  -2.45846118
 H   2.73712741   0.57964826  -2.75304535
 37
 Energy -1205.460929835
 C  -1.15096079   0.19561372  -1.29297454
 C  -1.22207653   0.10759176   0.15532556
 C  -0.02360989   0.00120998   0.90634490
 C   1.34085737  -0.01456408   0.24362962
 C   1.31664232  -0.06726125  -1.25152409
 C   0.12109965   0.06719592  -1.97772932
 C  -2.46809456   0.10928774   0.83582758
 C  -2.53617914   0.02012052   2.21420432
 C  -1.33985840  -0.07235422   2.93347906
 C  -0.10807113  -0.05852116   2.30205260
 C   0.14155454   0.08320818  -3.41348084
 C  -1.00816001   0.25030655  -4.14420195
 C  -2.23565348   0.42153617  -3.46719342
 C  -2.30074149   0.39259175  -2.08341547
 C   2.19382347  -1.19485146   0.80600241
 C   2.04617589   1.35500647   0.59741972
 C   2.62254033  -0.23616772  -1.95971637
 H  -3.40128651   0.16075443   0.27479068
 H  -3.50263572   0.00330405   2.72381122
 S  -1.29335125  -0.11936362   4.78047109
 H   0.76831744  -0.12378419   2.95638238
 H   1.09013840  -0.03382563  -3.93725138
 H  -0.97637122   0.26391159  -5.23543502
 H  -3.15197376   0.57781150  -4.04275657
 H  -3.27232215   0.52984399  -1.60995608
 H   3.21337934  -1.19012807   0.39967373
 H   1.71873814  -2.15909430   0.57302030
 H   2.27469053  -1.10339472   1.89688407
 H   3.06289402   1.39639530   0.18290320
 H   2.10962857   1.42908743   1.69244613
 H   1.46246123   2.20663674   0.21907253
 O   0.15810477  -0.20618207   5.11941691
 O  -2.02424043  -1.66097386   4.78830522
 H  -2.37798039  -1.77530154   5.69614524
 H   3.48239369  -0.09640509  -1.29618764
 H   2.68561951  -1.26177254  -2.37001723
 H   2.72416918   0.45519847  -2.80893864
 37
 Energy -1205.460779563
 C  -1.14792458   0.20470252  -1.29186954
 C  -1.21959953   0.10999665   0.15604465
 C  -0.02168799   0.00023811   0.90721977
 C   1.34220398  -0.00947446   0.24267796
 C   1.31594221  -0.08915311  -1.25194436
 C   0.12150256   0.05866527  -1.97846278
 C  -2.46616783   0.10720025   0.83530267
 C  -2.53522715   0.01429553   2.21344127
 C  -1.33922133  -0.07723259   2.93315247
 C  -0.10675716  -0.06081624   2.30275889
 C   0.13747602   0.07090559  -3.41432103
 C  -1.01140167   0.25510786  -4.14261208
 C  -2.23386581   0.44920623  -3.46346817
 C  -2.29577283   0.42214451  -2.07937117
 C   2.22614258  -1.14832593   0.83527983
 C   2.01436189   1.38882928   0.55721076
 C   2.61896108  -0.29659728  -1.95286751
 H  -3.39887719   0.15622785   0.27320126
 H  -3.50198658  -0.00671133   2.72228660
 S  -1.29399153  -0.12795386   4.77985479
 H   0.76876229  -0.12698173   2.95789976
 H   1.08179393  -0.06062459  -3.94190199
 H  -0.98143714   0.26687229  -5.23391306
 H  -3.14849036   0.62217956  -4.03693185
 H  -3.26318350   0.57788550  -1.60303449
 H   3.24403576  -1.12948363   0.42545314
 H   1.77579415  -2.13108716   0.63205168
 H   2.31062625  -1.02509618   1.92255962
 H   3.02855119   1.44345364   0.13772060
 H   2.07797712   1.49054429   1.65009821
 H   1.40858674   2.21565710   0.15925605
 O   0.15700489  -0.21834719   5.11996209
 O  -2.02881779  -1.66761012   4.78516957
 H  -2.38323048  -1.78234624   5.69270518
 H   3.47916758  -0.07705274  -1.31071937
 H   2.69996435  -1.35954384  -2.25173366
 H   2.70700795   0.30303214  -2.86882720
 37
 Energy -1205.460630857
 C  -1.14481628   0.21204831  -1.29079113
 C  -1.21705004   0.11116755   0.15676308
 C  -0.01948701  -0.00015258   0.90804982
 C   1.34362348  -0.00328924   0.24125180
 C   1.31514727  -0.11081330  -1.25232952
 C   0.12206980   0.05061159  -1.97938473
 C  -2.46398110   0.10394308   0.83498758
 C  -2.53371505   0.00849267   2.21299194
 C  -1.33794472  -0.08130285   2.93299793
 C  -0.10488747  -0.06186722   2.30351432
 C   0.13381851   0.06261445  -3.41526638
 C  -1.01411329   0.26339615  -4.14106944
 C  -2.23192606   0.47498642  -3.45968092
 C  -2.29083581   0.44736166  -2.07530814
 C   2.25721969  -1.10000188   0.86192745
 C   1.98312488   1.42081327   0.51624957
 C   2.61451893  -0.35960614  -1.94355561
 H  -3.39632717   0.14995505   0.27192251
 H  -3.50067111  -0.01671338   2.72124422
 S  -1.29393776  -0.13596948   4.77944408
 H   0.76985721  -0.12873367   2.95931086
 H   1.07420072  -0.07893335  -3.94671895
 H  -0.98544158   0.27648206  -5.23237886
 H  -3.14504684   0.66266162  -4.03091412
 H  -3.25438862   0.61797040  -1.59614104
 H   3.27365470  -1.06484172   0.44976904
 H   1.83334381  -2.09983131   0.68655246
 H   2.34264936  -0.94669368   1.94512526
 H   2.99413924   1.48773210   0.09056995
 H   2.04784146   1.54967943   1.60631625
 H   1.35624231   2.22260403   0.10044234
 O   0.15632252  -0.23344420   5.12063371
 O  -2.03666991  -1.67169664   4.78197488
 H  -2.39115241  -1.78649961   5.68947781
 H   3.47406792  -0.05612312  -1.33399972
 H   2.71717942  -1.44845776  -2.11913580
 H   2.68813656   0.13452658  -2.92001743
 37
 Energy -1205.460489368
 C  -1.14168623   0.21848792  -1.28954081
 C  -1.21433500   0.11275895   0.15775822
 C  -0.01698028   0.00056985   0.90913152
 C   1.34529978   0.00399733   0.23971529
 C   1.31395453  -0.13349841  -1.25214611
 C   0.12241952   0.04104770  -1.97978106
 C  -2.46157709   0.10166674   0.83491844
 C  -2.53207104   0.00392094   2.21280241
 C  -1.33655696  -0.08491919   2.93308662
 C  -0.10285334  -0.06262725   2.30432931
 C   0.13070234   0.05429019  -3.41561885
 C  -1.01580758   0.27202776  -4.13920826
 C  -2.22921138   0.49940016  -3.45591269
 C  -2.28555793   0.47104157  -2.07126492
 C   2.28783099  -1.04856470   0.88762932
 C   1.95236331   1.45173744   0.47334669
 C   2.60860783  -0.42151361  -1.93400030
 H  -3.39345263   0.14477624   0.27078014
 H  -3.49923664  -0.02505296   2.72037057
 S  -1.29329422  -0.14443943   4.77912451
 H   0.77129054  -0.13107027   2.96045340
 H   1.06762446  -0.09549664  -3.95042870
 H  -0.98807172   0.28759197  -5.23050047
 H  -3.14052212   0.70082974  -4.02533513
 H  -3.24523447   0.65567789  -1.58945411
 H   3.30186144  -0.99759781   0.47136951
 H   1.89094847  -2.06425892   0.74208630
 H   2.37447437  -0.86361042   1.96564117
 H   2.95954359   1.52983668   0.04019746
 H   2.01896199   1.60844919   1.55971271
 H   1.30487343   2.22761923   0.04057517
 O   0.15608309  -0.25235539   5.12094281
 O  -2.04740124  -1.67451584   4.77902132
 H  -2.40273194  -1.78820714   5.68633367
 H   3.46735210  -0.04205951  -1.36542113
 H   2.73363279  -1.52073872  -1.99304756
 H   2.66664262  -0.03152505  -2.95620539
 37
 Energy -1205.460334017
 C  -1.13876322   0.22446968  -1.28793617
 C  -1.21145963   0.11619447   0.15933759
 C  -0.01409412   0.00313721   0.91059336
 C   1.34714756   0.01360117   0.23797387
 C   1.31224206  -0.15543978  -1.25118288
 C   0.12224966   0.03050814  -1.97947361
 C  -2.45882809   0.10253947   0.83566511
 C  -2.52977269   0.00234691   2.21350917
 C  -1.33448558  -0.08754361   2.93357093
 C  -0.10014028  -0.06263402   2.30548230
 C   0.12826948   0.04429543  -3.41520069
 C  -1.01636732   0.27810373  -4.13718302
 C  -2.22572869   0.52021122  -3.45251419
 C  -2.28027157   0.49216482  -2.06755629
 C   2.31787280  -0.99333994   0.91143840
 C   1.92185276   1.48266139   0.42880258
 C   2.60108255  -0.48142828  -1.92414477
 H  -3.39033830   0.14376000   0.27066684
 H  -3.49696801  -0.02953625   2.72081197
 S  -1.29183484  -0.15437749   4.77923353
 H   0.77323683  -0.13452852   2.96186003
 H   1.06253409  -0.11302488  -3.95218516
 H  -0.98914982   0.29582276  -5.22845310
 H  -3.13521603   0.73381884  -4.02040712
 H  -3.23635559   0.69022242  -1.58377071
 H   3.32912654  -0.92668651   0.49073685
 H   1.94876922  -2.02344492   0.79679793
 H   2.40473544  -0.77616418   1.98328497
 H   2.92435076   1.57084762  -0.01359136
 H   1.99164640   1.66750616   1.51058489
 H   1.25422609   2.23207363  -0.01939628
 O   0.15632160  -0.27692846   5.12119698
 O  -2.06182603  -1.67640266   4.77445037
 H  -2.41661871  -1.78972646   5.68201678
 H   3.45944860  -0.03529041  -1.40338509
 H   2.74735284  -1.57854841  -1.87494632
 H   2.64237278  -0.19236019  -2.97913596
 37
 Energy -1205.460191625
 C  -1.13620129   0.22948631  -1.28602627
 C  -1.20854679   0.12066727   0.16141388
 C  -0.01092985   0.00781980   0.91238452
 C   1.34910892   0.02544726   0.23621907
 C   1.31020691  -0.17612761  -1.24930187
 C   0.12178413   0.01983106  -1.97836589
 C  -2.45577089   0.10513893   0.83733380
 C  -2.52680738   0.00322633   2.21521555
 C  -1.33159089  -0.08817593   2.93474989
 C  -0.09675648  -0.06093696   2.30694794
 C   0.12661552   0.03387072  -3.41386541
 C  -1.01588025   0.28212010  -4.13490102
 C  -2.22194910   0.53646452  -3.44949504
 C  -2.27541308   0.50930860  -2.06422294
 C   2.34700425  -0.93513866   0.93287421
 C   1.89222791   1.51322049   0.38399706
 C   2.59211092  -0.53856702  -1.91435538
 H  -3.38716110   0.14464755   0.27191351
 H  -3.49389497  -0.03111121   2.72245944
 S  -1.28859345  -0.16498277   4.77988405
 H   0.77618447  -0.13704490   2.96308648
 H   1.05901767  -0.12951834  -3.95212248
 H  -0.98862745   0.30205146  -5.22612883
 H  -3.12957349   0.75985099  -4.01658978
 H  -3.22845420   0.71868006  -1.57908480
 H   3.35475586  -0.85201821   0.50668568
 H   2.00668640  -1.97811535   0.84855939
 H   2.43325558  -0.68668784   1.99786567
 H   2.88953361   1.61047374  -0.06850574
 H   1.96553608   1.72612771   1.46043316
 H   1.20530738   2.23588430  -0.07838176
 O   0.15772647  -0.31057566   5.12071289
 O  -2.08223847  -1.67471343   4.76778429
 H  -2.43424594  -1.78952723   5.67626663
 H   3.45038963  -0.03484171  -1.44646891
 H   2.75937233  -1.62362229  -1.76696904
 H   2.61474465  -0.34519328  -2.99086053
 37
 Energy -1205.460033435
 C  -1.13442629   0.23011268  -1.28450355
 C  -1.20563302   0.12453781   0.16377557
 C  -0.00764157   0.00909599   0.91413451
 C   1.35082879   0.03468807   0.23384295
 C   1.30821262  -0.19588659  -1.24728419
 C   0.12193783   0.01295124  -1.97718009
 C  -2.45187295   0.11566057   0.84094365
 C  -2.52219349   0.01442287   2.21910605
 C  -1.32725218  -0.08785199   2.93703409
 C  -0.09226411  -0.06501619   2.30833372
 C   0.12892268   0.03551611  -3.41219745
 C  -1.01177332   0.29292481  -4.13333130
 C  -2.21872170   0.54191569  -3.44817009
 C  -2.27316046   0.51050450  -2.06277190
 C   2.37597128  -0.87715571   0.95143274
 C   1.85996861   1.54040150   0.33710149
 C   2.58173105  -0.59380043  -1.90594845
 H  -3.38364816   0.16004665   0.27646242
 H  -3.48896247  -0.01388928   2.72727039
 S  -1.28492312  -0.17504389   4.78160795
 H   0.78071018  -0.15097577   2.96281448
 H   1.06232698  -0.12343076  -3.95003515
 H  -0.98229311   0.32221568  -5.22428850
 H  -3.12618300   0.76634600  -4.01509941
 H  -3.22668773   0.71858138  -1.57800789
 H   3.37796840  -0.78301426   0.51409697
 H   2.06181281  -1.93075039   0.90491038
 H   2.46666323  -0.59185135   2.00681077
 H   2.84964767   1.64851878  -0.12974464
 H   1.94052870   1.78029359   1.40739807
 H   1.15065256   2.23447164  -0.13474740
 O   0.15842014  -0.34720297   5.12232379
 O  -2.10551917  -1.67015401   4.76276792
 H  -2.45831707  -1.78345188   5.67113473
 H   3.44291317  -0.05278478  -1.48540192
 H   2.76083014  -1.66377888  -1.68295660
 H   2.58802588  -0.47761551  -2.99334149
 37
 Energy -1205.459734549
 C  -1.13338205   0.22356438  -1.28345922
 C  -1.20333527   0.12461905   0.16627866
 C  -0.00522138   0.00252951   0.91625073
 C   1.35146971   0.03411056   0.23173598
 C   1.30777307  -0.21220350  -1.24546628
 C   0.12332937   0.01113052  -1.97574630
 C  -2.44786144   0.13368548   0.84594462
 C  -2.51756849   0.03569669   2.22461825
 C  -1.32399161  -0.08829716   2.94067168
 C  -0.08905717  -0.07847265   2.31027468
 C   0.13620955   0.05169199  -3.40953402
 C  -1.00266921   0.31384213  -4.13217574
 C  -2.21487470   0.53865980  -3.44874116
 C  -2.27336065   0.49302683  -2.06372009
 C   2.39988252  -0.83015580   0.96976985
 C   1.83002789   1.55605565   0.28539916
 C   2.57232613  -0.63203187  -1.90715298
 H  -3.38027310   0.19332341   0.28409098
 H  -3.48407632   0.02485329   2.73399906
 S  -1.28466799  -0.18210227   4.78553930
 H   0.78331625  -0.17764224   2.96341202
 H   1.07284142  -0.09494351  -3.94532569
 H  -0.96827187   0.36109355  -5.22235631
 H  -3.12330708   0.75775037  -4.01616700
 H  -3.23149870   0.68453842  -1.58139343
 H   3.39708412  -0.73326649   0.52239551
 H   2.10797975  -1.89105272   0.96443733
 H   2.49453918  -0.50423693   2.01305379
 H   2.80804199   1.67335091  -0.20348739
 H   1.92557066   1.82263918   1.34826537
 H   1.09617351   2.22127877  -0.18990058
 O   0.15604278  -0.37051066   5.12834380
 O  -2.12076543  -1.66850151   4.76306914
 H  -2.47641508  -1.77897704   5.67067463
 H   3.45331700  -0.16085523  -1.44849027
 H   2.69133424  -1.72154626  -1.74220607
 H   2.59901065  -0.45973690  -2.98720043
 37
 Energy -1205.458891219
 C  -1.13296783   0.21393890  -1.28251587
 C  -1.20246583   0.12231794   0.16861651
 C  -0.00441066  -0.00662647   0.91874195
 C   1.35097275   0.02588126   0.23098820
 C   1.30799157  -0.22813313  -1.24308588
 C   0.12490189   0.01056055  -1.97311158
 C  -2.44528709   0.15078263   0.85031751
 C  -2.51515652   0.05568441   2.22952696
 C  -1.32371822  -0.09008270   2.94446392
 C  -0.08891254  -0.09357520   2.31269979
 C   0.14627823   0.07243594  -3.40495942
 C  -0.99009285   0.33923359  -4.13003027
 C  -2.20918634   0.53434818  -3.45021135
 C  -2.27399905   0.47009309  -2.06616795
 C   2.41576058  -0.79485747   0.99104973
 C   1.80856282   1.55984588   0.23282533
 C   2.56387335  -0.65243200  -1.92035029
 H  -3.37761179   0.22717396   0.29045496
 H  -3.48143905   0.06337737   2.73949520
 S  -1.28685909  -0.18598088   4.79054336
 H   0.78208258  -0.20453119   2.96552978
 H   1.08680920  -0.06238983  -3.93722862
 H  -0.94948866   0.40738776  -5.21888676
 H  -3.11801153   0.74716060  -4.01933059
 H  -3.23794243   0.64018451  -1.58751270
 H   3.41257043  -0.69195388   0.54453965
 H   2.14663098  -1.86127951   1.01794168
 H   2.50379688  -0.43460403   2.02365175
 H   2.77221015   1.67975755  -0.28328800
 H   1.92725788   1.85062267   1.28722013
 H   1.05174373   2.20072900  -0.23911432
 O   0.15266539  -0.37948930   5.13516147
 O  -2.12674936  -1.67011569   4.76938572
 H  -2.48699953  -1.77599994   5.67571942
 H   3.46262481  -0.34614949  -1.37175666
 H   2.57355968  -1.76111077  -1.93992570
 H   2.64836977  -0.31309511  -2.95860444
 37
 Energy -1205.457670336
 C  -1.13225602   0.20706620  -1.28071543
 C  -1.20260451   0.12176796   0.17163786
 C  -0.00490832  -0.01517813   0.92226432
 C   1.34817113   0.01304070   0.23048710
 C   1.30725660  -0.24621864  -1.23984965
 C   0.12681399   0.01232756  -1.96932291
 C  -2.44385195   0.16711177   0.85471910
 C  -2.51428456   0.07321133   2.23447383
 C  -1.32545039  -0.09311319   2.94886210
 C  -0.09070394  -0.10992927   2.31605780
 C   0.15883386   0.09939955  -3.39825182
 C  -0.97560631   0.36553885  -4.12682963
 C  -2.20223536   0.52658550  -3.45196972
 C  -2.27353338   0.44893545  -2.06882354
 C   2.42523718  -0.76670357   1.01170745
 C   1.79030738   1.55685192   0.16713522
 C   2.55914560  -0.66520210  -1.93101661
 H  -3.37548413   0.25982668   0.29613549
 H  -3.48031217   0.09790552   2.74455021
 S  -1.28962886  -0.18906887   4.79663778
 H   0.77868316  -0.23300672   2.96870855
 H   1.10498378  -0.01941683  -3.92478740
 H  -0.92900900   0.45373884  -5.21402399
 H  -3.11201801   0.72703677  -4.02401581
 H  -3.24327917   0.59755396  -1.59478477
 H   3.42011297  -0.66753242   0.56031262
 H   2.16979796  -1.83470535   1.07769225
 H   2.51234331  -0.36793800   2.03025366
 H   2.71734517   1.67867137  -0.41191235
 H   1.97496134   1.86818663   1.20632198
 H   0.99510670   2.17631130  -0.26789102
 O   0.14955601  -0.38462123   5.14130370
 O  -2.13019950  -1.67282485   4.77786666
 H  -2.49023015  -1.77691239   5.68447590
 H   3.45647800  -0.49903818  -1.32623648
 H   2.49370325  -1.75623313  -2.11436199
 H   2.69840539  -0.18911377  -2.90986749
 37
 Energy -1205.455812038
 C  -1.13044772   0.20634746  -1.27739684
 C  -1.20320011   0.12225840   0.17583323
 C  -0.00650071  -0.02453109   0.92726043
 C   1.34336845  -0.00543441   0.23123092
 C   1.30702593  -0.26016389  -1.23541926
 C   0.13001168   0.02232476  -1.96406924
 C  -2.44351400   0.18013451   0.85897279
 C  -2.51551614   0.08624850   2.23923532
 C  -1.32956509  -0.09648891   2.95406870
 C  -0.09492529  -0.12845308   2.32076167
 C   0.17210644   0.13160028  -3.38887468
 C  -0.96259782   0.38424678  -4.12244341
 C  -2.19526209   0.51535689  -3.45281182
 C  -2.27150195   0.43456508  -2.06985284
 C   2.42699403  -0.75221885   1.03044087
 C   1.77493583   1.54630262   0.08215912
 C   2.56214938  -0.66405325  -1.93275319
 H  -3.37391941   0.28714565   0.30089775
 H  -3.48152311   0.12530611   2.74865501
 S  -1.29247320  -0.19057779   4.80409507
 H   0.77211609  -0.26297943   2.97428000
 H   1.12390017   0.03077871  -3.90937135
 H  -0.91172890   0.48194724  -5.20856301
 H  -3.10646439   0.69795393  -4.02847014
 H  -3.24604033   0.56500280  -1.60022839
 H   3.41991609  -0.66973891   0.57179896
 H   2.17222801  -1.81731060   1.13571816
 H   2.51786935  -0.31731793   2.03401377
 H   2.62644346   1.66942179  -0.60265058
 H   2.08261937   1.87392463   1.08692111
 H   0.92700871   2.14893563  -0.26650355
 O   0.14755515  -0.38760242   5.14478133
 O  -2.13212049  -1.67511674   4.78456097
 H  -2.48939650  -1.78159582   5.69200652
 H   3.45006392  -0.57301144  -1.29987570
 H   2.46908327  -1.73181051  -2.21127630
 H   2.73436399  -0.11012255  -2.86543344
 37
 Energy -1205.452517924
 C  -1.12852364   0.21049638  -1.27450192
 C  -1.20413465   0.12162558   0.17943178
 C  -0.00950935  -0.03668479   0.93259960
 C   1.33688666  -0.03286405   0.23565190
 C   1.31056860  -0.25794747  -1.22675485
 C   0.13407604   0.04362106  -1.95633227
 C  -2.44354764   0.18842461   0.86187728
 C  -2.51753729   0.09288520   2.24239228
 C  -1.33447067  -0.09832472   2.95945698
 C  -0.10057670  -0.14533480   2.32650107
 C   0.18311687   0.15989038  -3.37695359
 C  -0.95392400   0.39050289  -4.11602779
 C  -2.19033411   0.50678709  -3.45326686
 C  -2.26978818   0.42712073  -2.07026267
 C   2.42528770  -0.75390927   1.04792198
 C   1.76354904   1.53295341  -0.01390377
 C   2.57028432  -0.64988077  -1.92563960
 H  -3.37220176   0.30801817   0.30343431
 H  -3.48398690   0.14153789   2.75023419
 S  -1.29471866  -0.19015295   4.81136382
 H   0.76406336  -0.28781370   2.98167055
 H   1.13798650   0.06958823  -3.89389723
 H  -0.89961757   0.48214520  -5.20255972
 H  -3.10171462   0.67447784  -4.03309954
 H  -3.24761648   0.54295107  -1.60359805
 H   3.41725512  -0.68475840   0.58539262
 H   2.16952134  -1.81621441   1.17790565
 H   2.51643741  -0.29655966   2.04155092
 H   2.52208135   1.65507114  -0.80010633
 H   2.20158157   1.86731947   0.93906152
 H   0.87364370   2.12349361  -0.26057969
 O   0.14686331  -0.38946480   5.14504113
 O  -2.13278042  -1.67615430   4.78745179
 H  -2.48809346  -1.78778741   5.69494947
 H   3.45124620  -0.59329571  -1.27963322
 H   2.46588354  -1.70393381  -2.24642521
 H   2.75914461  -0.06087653  -2.83353716
 37
 Energy -1205.447561817
 C  -1.12697943   0.21443906  -1.27462389
 C  -1.20515930   0.11995031   0.18061516
 C  -0.01429663  -0.05134036   0.93751113
 C   1.32385368  -0.08187437   0.24555408
 C   1.32140219  -0.23087390  -1.20884882
 C   0.13673470   0.06908602  -1.94743476
 C  -2.44264094   0.19380138   0.86289505
 C  -2.51808793   0.09514373   2.24347275
 C  -1.33795031  -0.09819271   2.96475115
 C  -0.10584939  -0.15740675   2.33333339
 C   0.19007645   0.17826779  -3.36315911
 C  -0.94969575   0.39014333  -4.10901642
 C  -2.18829398   0.50317566  -3.45485073
 C  -2.26931691   0.42279166  -2.07188469
 C   2.42431017  -0.76523461   1.06414618
 C   1.75888796   1.53138674  -0.11454620
 C   2.57836507  -0.63179656  -1.91359179
 H  -3.36999331   0.32392697   0.30476444
 H  -3.48552322   0.14822861   2.74929704
 S  -1.29628687  -0.18917957   4.81677580
 H   0.75653538  -0.30502697   2.99068714
 H   1.14569445   0.09006122  -3.87922649
 H  -0.89016016   0.46967251  -5.19620007
 H  -3.09858506   0.66321633  -4.03817977
 H  -3.24880504   0.52738038  -1.60590463
 H   3.41274992  -0.69512211   0.59549047
 H   2.17949966  -1.82873692   1.20898055
 H   2.51114082  -0.29666689   2.05300027
 H   2.45274956   1.66242281  -0.95591627
 H   2.27969399   1.83217689   0.80725355
 H   0.84308961   2.10917291  -0.27454052
 O   0.14696236  -0.39047232   5.14407956
 O  -2.13293145  -1.67661838   4.78813601
 H  -2.48748401  -1.79233632   5.69540234
 H   3.46065716  -0.60073863  -1.26766752
 H   2.45065707  -1.67766466  -2.24926542
 H   2.77739877  -0.02919012  -2.80989574
 37
 Energy -1205.441636773
 C  -1.12558516   0.21677070  -1.27688751
 C  -1.20574185   0.11840584   0.17985732
 C  -0.01854878  -0.06553423   0.94180253
 C   1.30358794  -0.14891483   0.26130517
 C   1.33889016  -0.18354677  -1.18226173
 C   0.13723181   0.08993671  -1.94014528
 C  -2.44102508   0.19733167   0.86256924
 C  -2.51736350   0.09567530   2.24333297
 C  -1.33972386  -0.09746421   2.96933730
 C  -0.10992677  -0.16505737   2.34033703
 C   0.19423553   0.18778539  -3.35099196
 C  -0.94869877   0.38865085  -4.10289139
 C  -2.18827599   0.50219158  -3.45667469
 C  -2.26979383   0.42005174  -2.07395275
 C   2.42306511  -0.77783626   1.07752078
 C   1.76087374   1.54210522  -0.21206498
 C   2.58396218  -0.61711491  -1.90109939
 H  -3.36731966   0.33425610   0.30447525
 H  -3.48586189   0.15029418   2.74717901
 S  -1.29731500  -0.18862879   4.82016619
 H   0.75129943  -0.31538890   2.99890393
 H   1.14897253   0.09859880  -3.86865085
 H  -0.88441890   0.45810706  -5.19068276
 H  -3.09733584   0.65872625  -4.04256772
 H  -3.25014552   0.51727488  -1.60797360
 H   3.40399444  -0.69747131   0.59647082
 H   2.19911176  -1.84560611   1.23132496
 H   2.50452108  -0.30502400   2.06463888
 H   2.42995683   1.71177351  -1.06585803
 H   2.31307827   1.76202047   0.71249112
 H   0.82866766   2.10605456  -0.30005822
 O   0.14723101  -0.39077990   5.14331218
 O  -2.13297460  -1.67666418   4.78814413
 H  -2.48691344  -1.79478206   5.69526041
 H   3.47499947  -0.60656335  -1.26638594
 H   2.42591736  -1.65655828  -2.23972272
 H   2.78835869  -0.01025673  -2.79306917
 37
 Energy -1205.438882109
 C  -1.12458672   0.21842002  -1.27903863
 C  -1.20616808   0.11717832   0.17795042
 C  -0.02044114  -0.07959107   0.94560080
 C   1.28085235  -0.21718304   0.28076545
 C   1.35920357  -0.12492535  -1.15196228
 C   0.13726848   0.10574771  -1.93404789
 C  -2.43955542   0.19997775   0.86165565
 C  -2.51647860   0.09581177   2.24264826
 C  -1.34062303  -0.09698702   2.97347776
 C  -0.11344290  -0.17117110   2.34754314
 C   0.19733639   0.19350501  -3.34073479
 C  -0.94846338   0.38741486  -4.09750726
 C  -2.18897021   0.50187767  -3.45778159
 C  -2.27095981   0.41792193  -2.07563538
 C   2.42037935  -0.78955358   1.08901178
 C   1.76556134   1.55131712  -0.30566967
 C   2.58724691  -0.60574144  -1.88886895
 H  -3.36516494   0.34179197   0.30390374
 H  -3.48597604   0.15110357   2.74498797
 S  -1.29805213  -0.18828471   4.82278024
 H   0.74680748  -0.32278590   3.00745017
 H   1.15209647   0.10426644  -3.85837376
 H  -0.87984032   0.45048625  -5.18558131
 H  -3.09676547   0.65726977  -4.04544172
 H  -3.25181129   0.51043235  -1.60944690
 H   3.39248329  -0.69619186   0.59426272
 H   2.22028813  -1.86260812   1.24900210
 H   2.49673374  -0.31737694   2.07691780
 H   2.42824201   1.79257158  -1.14730055
 H   2.32477148   1.67919126   0.63071807
 H   0.82529808   2.10713031  -0.32515603
 O   0.14719513  -0.39111897   5.14295548
 O  -2.13307466  -1.67648718   4.78805683
 H  -2.48762633  -1.79676880   5.69470339
 H   3.48864580  -0.61006957  -1.26791427
 H   2.40146737  -1.63954688  -2.22563642
 H   2.79612311   0.00297588  -2.77829435
 37
 Energy -1205.441603259
 C  -1.12400847   0.21991180  -1.28024522
 C  -1.20689308   0.11604023   0.17508019
 C  -0.02066849  -0.09608211   0.94905476
 C   1.25865369  -0.27837720   0.30111753
 C   1.38001748  -0.05949098  -1.12180115
 C   0.13902236   0.11913311  -1.92775720
 C  -2.43854020   0.20264944   0.86027289
 C  -2.51584763   0.09594499   2.24121766
 C  -1.34121028  -0.09689995   2.97767520
 C  -0.11724717  -0.17824809   2.35545203
 C   0.20031986   0.19850873  -3.33133488
 C  -0.94777695   0.38621436  -4.09214221
 C  -2.18999221   0.50147652  -3.45823095
 C  -2.27265710   0.41559060  -2.07691648
 C   2.41580786  -0.80223977   1.09959186
 C   1.77146765   1.55346814  -0.39977155
 C   2.58866987  -0.59522739  -1.87609281
 H  -3.36363560   0.34957492   0.30325626
 H  -3.48625973   0.15252788   2.74226063
 S  -1.29873646  -0.18793116   4.82564128
 H   0.74272585  -0.32991800   3.01598669
 H   1.15520168   0.11055464  -3.84888596
 H  -0.87550245   0.44368733  -5.18047337
 H  -3.09641844   0.65595533  -4.04781082
 H  -3.25413966   0.50363402  -1.61087381
 H   3.37893297  -0.69332670   0.59180515
 H   2.24215328  -1.88105430   1.26305581
 H   2.48821954  -0.33377102   2.08978857
 H   2.42443216   1.88506020  -1.21935248
 H   2.33679659   1.61023965   0.53980036
 H   0.83186403   2.10977590  -0.34938704
 O   0.14702766  -0.39151157   5.14270008
 O  -2.13322831  -1.67608332   4.78785103
 H  -2.48886551  -1.79863902   5.69387225
 H   3.50023323  -0.61167437  -1.26905680
 H   2.37780874  -1.62410409  -2.20884897
 H   2.80283428   0.01326968  -2.76430932
 37
 Energy -1205.447288586
 C  -1.12336926   0.22149061  -1.28028688
 C  -1.20802160   0.11420121   0.17197702
 C  -0.02135511  -0.11772541   0.95270688
 C   1.23980085  -0.32747193   0.31920291
 C   1.39865095   0.00447874  -1.09610299
 C   0.14319676   0.13254492  -1.92058014
 C  -2.43816291   0.20611654   0.85853822
 C  -2.51579816   0.09668349   2.23915935
 C  -1.34255488  -0.09743914   2.98234081
 C  -0.12219205  -0.18971402   2.36417475
 C   0.20387933   0.20492862  -3.32175236
 C  -0.94621572   0.38492865  -4.08605328
 C  -2.19094402   0.50023913  -3.45803034
 C  -2.27454725   0.41219130  -2.07760196
 C   2.40900488  -0.81825563   1.10953402
 C   1.78093548   1.55532578  -0.49779647
 C   2.58852641  -0.58413736  -1.86155374
 H  -3.36251693   0.36059233   0.30254080
 H  -3.48707149   0.15662079   2.73854575
 S  -1.29962886  -0.18736420   4.82965532
 H   0.73808133  -0.34070965   3.02452133
 H   1.15883964   0.11949570  -3.83957274
 H  -0.87113812   0.43551337  -5.17479621
 H  -3.09597473   0.65208138  -4.05025132
 H  -3.25707053   0.49359397  -1.61243496
 H   3.36452203  -0.68810520   0.59281287
 H   2.26474947  -1.90315645   1.27087654
 H   2.47577621  -0.35711791   2.10375475
 H   2.39873209   1.96564507  -1.31085461
 H   2.37526332   1.57705860   0.42573011
 H   0.84952069   2.11635845  -0.37147228
 O   0.14663696  -0.39199539   5.14269179
 O  -2.13348857  -1.67531927   4.78753425
 H  -2.48991272  -1.80130380   5.69284435
 H   3.50871740  -0.60948555  -1.26680891
 H   2.35554766  -1.60966440  -2.18707625
 H   2.80851906   0.01941329  -2.75193491
 37
 Energy -1205.451931178
 C  -1.12247454   0.22307089  -1.27827388
 C  -1.20950209   0.11064510   0.17088184
 C  -0.02398293  -0.14359029   0.95656061
 C   1.22882231  -0.35449118   0.33145984
 C   1.41072339   0.05027826  -1.07980001
 C   0.14770884   0.14603757  -1.91258541
 C  -2.43858435   0.21138417   0.85766030
 C  -2.51745105   0.09969111   2.23790117
 C  -1.34648294  -0.10008335   2.98731118
 C  -0.12952038  -0.21051045   2.37231186
 C   0.20865934   0.21588908  -3.31150893
 C  -0.94286898   0.38465849  -4.07890951
 C  -2.19071057   0.49643711  -3.45661088
 C  -2.27580629   0.40657764  -2.07692518
 C   2.40040687  -0.83686375   1.11778290
 C   1.79807394   1.57043435  -0.59623032
 C   2.58814719  -0.57524206  -1.84484083
 H  -3.36146596   0.37803675   0.30287669
 H  -3.48945189   0.16731468   2.73533388
 S  -1.30134797  -0.18675007   4.83556942
 H   0.72952365  -0.36339033   3.03389529
 H   1.16463703   0.13598909  -3.82830953
 H  -0.86470336   0.42888036  -5.16777363
 H  -3.09457833   0.64260825  -4.05177164
 H  -3.25962368   0.47815884  -1.61280343
 H   3.35466450  -0.67928034   0.60628878
 H   2.28123477  -1.92835548   1.26086770
 H   2.45438453  -0.39574551   2.12207512
 H   2.33276249   2.01603950  -1.44900606
 H   2.46674365   1.59123263   0.27598435
 H   0.88280579   2.13260417  -0.37769511
 O   0.14552512  -0.39267300   5.14380787
 O  -2.13467285  -1.67452039   4.78824640
 H  -2.49114033  -1.80544533   5.69294303
 H   3.51225123  -0.59984999  -1.25519491
 H   2.34311595  -1.60185659  -2.15620478
 H   2.81291597   0.01685735  -2.74157979
 37
 Energy -1205.454963308
 C  -1.12172839   0.22310911  -1.27420980
 C  -1.21110707   0.10671800   0.17290626
 C  -0.02704633  -0.16471880   0.95965148
 C   1.22625655  -0.35573747   0.33820417
 C   1.41749138   0.07595930  -1.07254125
 C   0.15047430   0.15691883  -1.90509887
 C  -2.43949649   0.21939425   0.85905183
 C  -2.52075165   0.10712254   2.23904074
 C  -1.35287203  -0.10806211   2.99127022
 C  -0.13888824  -0.23992907   2.37747255
 C   0.21393564   0.23275969  -3.30228409
 C  -0.93794986   0.38831369  -4.07216372
 C  -2.18899056   0.48809752  -3.45389751
 C  -2.27614775   0.39716693  -2.07486070
 C   2.39370508  -0.84973074   1.12045426
 C   1.82175654   1.59546048  -0.68708254
 C   2.58860226  -0.57677962  -1.82862015
 H  -3.35940692   0.40179203   0.30435029
 H  -3.49235990   0.18976981   2.73511376
 S  -1.30480669  -0.18710814   4.84203496
 H   0.71751207  -0.39977388   3.04076756
 H   1.17174969   0.16283540  -3.81724490
 H  -0.85763441   0.43026457  -5.16103674
 H  -3.09255977   0.62376322  -4.05196405
 H  -3.26169108   0.45633707  -1.61267547
 H   3.35272647  -0.65274621   0.63117159
 H   2.29544328  -1.94970656   1.21072211
 H   2.42522143  -0.45629261   2.14486760
 H   2.22921018   2.04194118  -1.60686588
 H   2.59608733   1.62845177   0.09285797
 H   0.93767932   2.15612232  -0.35893276
 O   0.14253181  -0.39350267   5.14728035
 O  -2.13800235  -1.67462858   4.79332145
 H  -2.49125578  -1.80994731   5.69866086
 H   3.51420332  -0.58723536  -1.24060053
 H   2.34148332  -1.60993178  -2.11518847
 H   2.81383767  -0.00631729  -2.73896994
 37
 Energy -1205.456758017
 C  -1.12086001   0.22050478  -1.27021573
 C  -1.21170015   0.10561709   0.17609804
 C  -0.02793445  -0.17513043   0.96247862
 C   1.22811100  -0.34213565   0.34291790
 C   1.42344700   0.09403099  -1.07038282
 C   0.15234999   0.16600163  -1.89945294
 C  -2.43914457   0.23148351   0.86186804
 C  -2.52302040   0.11827061   2.24168503
 C  -1.35931479  -0.12102385   2.99410681
 C  -0.14718206  -0.26782626   2.38070371
 C   0.21801419   0.25465703  -3.29526343
 C  -0.93388826   0.39777203  -4.06675813
 C  -2.18799191   0.47511300  -3.45101185
 C  -2.27654301   0.38111678  -2.07262508
 C   2.39513425  -0.84829279   1.11498239
 C   1.84859038   1.61530163  -0.76610838
 C   2.58523996  -0.59450489  -1.81423936
 H  -3.35545087   0.43110503   0.30714253
 H  -3.49307697   0.21987013   2.73750525
 S  -1.31092426  -0.18995703   4.84699555
 H   0.70594149  -0.43650597   3.04587051
 H   1.17820398   0.20130562  -3.80805283
 H  -0.85175991   0.44549493  -5.15524898
 H  -3.09217909   0.59715299  -4.05098518
 H  -3.26371456   0.42421769  -1.61212578
 H   3.35655544  -0.56880520   0.67066897
 H   2.34712979  -1.95604969   1.09822762
 H   2.38611681  -0.55099683   2.17057772
 H   2.13795718   2.05284685  -1.73333182
 H   2.70857629   1.65732778  -0.08210033
 H   1.00782382   2.18129414  -0.34431687
 O   0.13608418  -0.39577210   5.15380480
 O  -2.14459975  -1.67697479   4.80569433
 H  -2.49456923  -1.81065373   5.71261971
 H   3.51361342  -0.58877989  -1.23023552
 H   2.33090487  -1.63554075  -2.06319531
 H   2.80894348  -0.05765077  -2.74487416
 37
 Energy -1205.457921781
 C  -1.11989663   0.21627453  -1.26744583
 C  -1.20995945   0.10737113   0.17890417
 C  -0.02571845  -0.17716529   0.96574696
 C   1.23162364  -0.32512922   0.34651237
 C   1.42788080   0.10698779  -1.07086647
 C   0.15353870   0.17561853  -1.89611956
 C  -2.43607630   0.24579743   0.86442936
 C  -2.52249318   0.12879085   2.24384637
 C  -1.36333453  -0.13226228   2.99658059
 C  -0.15108751  -0.28379059   2.38421665
 C   0.22003195   0.27990950  -3.29065716
 C  -0.93249782   0.41126388  -4.06265587
 C  -2.18915597   0.45914076  -3.44838906
 C  -2.27781338   0.35899760  -2.07073579
 C   2.40622317  -0.83340643   1.10301655
 C   1.87709240   1.62571503  -0.82869804
 C   2.57387621  -0.62544374  -1.80169397
 H  -3.34886903   0.46114000   0.30974721
 H  -3.49120737   0.24457409   2.73933883
 S  -1.31921976  -0.19517948   4.85096664
 H   0.69977564  -0.45692149   3.05093812
 H   1.18225035   0.24705217  -3.80183039
 H  -0.84978596   0.47033283  -5.15057084
 H  -3.09461947   0.56558818  -4.04940534
 H  -3.26614390   0.38113050  -1.61112598
 H   3.35468835  -0.41977261   0.73738767
 H   2.45964920  -1.92781071   0.92993616
 H   2.34072973  -0.68403827   2.18582853
 H   2.10302971   2.04641854  -1.81971313
 H   2.78009846   1.67216455  -0.20304318
 H   1.07118443   2.20849990  -0.36280200
 O   0.12658250  -0.40128035   5.16229304
 O  -2.15457958  -1.68091570   4.82040772
 H  -2.50571301  -1.80650021   5.72803093
 H   3.50468943  -0.61614071  -1.22135178
 H   2.29982463  -1.66958488  -2.01455019
 H   2.80029393  -0.12484716  -2.75149872
 37
 Energy -1205.458643173
 C  -1.11902065   0.21026015  -1.26488812
 C  -1.20632554   0.10990544   0.18178739
 C  -0.02064456  -0.17302163   0.96919016
 C   1.23641272  -0.30753095   0.34868666
 C   1.43120808   0.11588860  -1.07366235
 C   0.15394214   0.18744662  -1.89412497
 C  -2.43134876   0.25703822   0.86708902
 C  -2.51916253   0.13648104   2.24597503
 C  -1.36307297  -0.13772762   2.99939441
 C  -0.14944635  -0.28729930   2.38851583
 C   0.21959736   0.31085968  -3.28720536
 C  -0.93443793   0.42847818  -4.05851653
 C  -2.19272869   0.43930715  -3.44486202
 C  -2.28004105   0.33078583  -2.06803027
 C   2.42170937  -0.80799021   1.09280921
 C   1.91088205   1.62776919  -0.88211163
 C   2.55541111  -0.66436296  -1.79294060
 H  -3.34165383   0.48263579   0.31236914
 H  -3.48714960   0.25920841   2.74135787
 S  -1.32808895  -0.20170020   4.85504878
 H   0.70085802  -0.46161199   3.05561992
 H   1.18327599   0.30312060  -3.79717691
 H  -0.85248977   0.50277000  -5.14554708
 H  -3.09997802   0.52697312  -4.04620209
 H  -3.26873205   0.32738108  -1.60863981
 H   3.34042317  -0.26992458   0.81709354
 H   2.58568630  -1.86097411   0.78757730
 H   2.31053376  -0.79714614   2.18107248
 H   2.11253376   2.02627127  -1.88716073
 H   2.83321191   1.67194418  -0.28522235
 H   1.13017834   2.23534726  -0.40416581
 O   0.11510744  -0.41320636   5.17339704
 O  -2.17036032  -1.68332142   4.82720061
 H  -2.52538526  -1.80298398   5.73411978
 H   3.49096046  -0.65173840  -1.21993761
 H   2.25750463  -1.70954242  -1.96544665
 H   2.78035167  -0.20403891  -2.76306744
 37
 Energy -1205.458981506
 C  -1.11839893   0.20175644  -1.26230988
 C  -1.20210060   0.10868068   0.18457009
 C  -0.01343378  -0.16192173   0.97280291
 C   1.24362408  -0.28508791   0.35130653
 C   1.43456729   0.12110943  -1.07791659
 C   0.15395074   0.19981074  -1.89223990
 C  -2.42696290   0.25795616   0.86978208
 C  -2.51441908   0.13927393   2.24845943
 C  -1.35886019  -0.13701805   3.00241706
 C  -0.14347817  -0.27952498   2.39305412
 C   0.21678513   0.34487043  -3.28366476
 C  -0.93925168   0.44851349  -4.05317433
 C  -2.19799299   0.41958238  -3.44009955
 C  -2.28268400   0.30012756  -2.06431270
 C   2.43745269  -0.76633952   1.09520616
 C   1.95166062   1.62188263  -0.93077556
 C   2.53064050  -0.70864324  -1.78965615
 H  -3.33683902   0.48404735   0.31454986
 H  -3.48209294   0.26331476   2.74412962
 S  -1.33485804  -0.20895013   4.85799625
 H   0.70678642  -0.45406895   3.06005062
 H   1.18064022   0.36470180  -3.79361562
 H  -0.85926923   0.54068455  -5.13901390
 H  -3.10686059   0.48866493  -4.04135773
 H  -3.27067604   0.26976825  -1.60425493
 H   3.34121612  -0.19489419   0.83540591
 H   2.63687203  -1.80754017   0.77282378
 H   2.31916353  -0.77708470   2.18254125
 H   2.14149969   1.99697805  -1.94699833
 H   2.88687317   1.65805467  -0.35387376
 H   1.19545762   2.25801934  -0.45027665
 O   0.10381884  -0.43631731   5.18472169
 O  -2.19374048  -1.68104361   4.82111945
 H  -2.55813032  -1.79670925   5.72482155
 H   3.47648953  -0.69220444  -1.23367861
 H   2.20808824  -1.75306339  -1.91647074
 H   2.74331144  -0.29069423  -2.78132181
 37
 Energy -1205.459187058
 C  -1.11801670   0.19670723  -1.25919936
 C  -1.19860564   0.10733113   0.18759663
 C  -0.00617641  -0.14404526   0.97671719
 C   1.25146252  -0.25655124   0.35497946
 C   1.43723794   0.12333538  -1.08257616
 C   0.15322756   0.20993187  -1.89036892
 C  -2.42509807   0.24769343   0.87205929
 C  -2.51151556   0.13294307   2.25063996
 C  -1.35400548  -0.13412209   3.00527560
 C  -0.13632131  -0.26302326   2.39754149
 C   0.21263716   0.36904714  -3.28072856
 C  -0.94488780   0.46423350  -4.04859506
 C  -2.20275793   0.40876038  -3.43486078
 C  -2.28457631   0.28094701  -2.05988107
 C   2.45228668  -0.71134218   1.10571773
 C   1.99449419   1.61050135  -0.97508679
 C   2.50155696  -0.75690495  -1.78639421
 H  -3.33670248   0.46386179   0.31581340
 H  -3.47993124   0.25039339   2.74636933
 S  -1.33782627  -0.21735768   4.85976119
 H   0.71428500  -0.43578310   3.06445283
 H   1.17632358   0.40724864  -3.79043302
 H  -0.86715965   0.56938924  -5.13337701
 H  -3.11309612   0.46659084  -4.03514196
 H  -3.27163844   0.23380303  -1.59933604
 H   3.36039741  -0.17409655   0.79630049
 H   2.62593489  -1.77531465   0.84867975
 H   2.35318041  -0.65163894   2.19375522
 H   2.18028634   1.96166494  -2.00047181
 H   2.93804541   1.63549275  -0.41155659
 H   1.26160415   2.27609172  -0.49794358
 O   0.09595043  -0.46772114   5.19096935
 O  -2.21999323  -1.67552690   4.80939249
 H  -2.58875358  -1.79201333   5.71120290
 H   3.45677098  -0.74801528  -1.24638245
 H   2.14950806  -1.79565483  -1.87467273
 H   2.70569648  -0.37582054  -2.79460092
 37
 Energy -1205.459383283
 C  -1.11811712   0.19763580  -1.25652046
 C  -1.19682487   0.10811243   0.19010573
 C  -0.00108743  -0.12568229   0.97993025
 C   1.25752122  -0.22677028   0.35898926
 C   1.43864472   0.12358978  -1.08657571
 C   0.15221773   0.21641890  -1.88893055
 C  -2.42526986   0.23428553   0.87424852
 C  -2.51046065   0.12074057   2.25261364
 C  -1.35026403  -0.13416420   3.00782654
 C  -0.13064595  -0.24733685   2.40105452
 C   0.20973858   0.37982197  -3.27908858
 C  -0.94844459   0.47294501  -4.04569871
 C  -2.20566614   0.40895162  -3.43087693
 C  -2.28589083   0.27792905  -2.05631907
 C   2.46595729  -0.64704384   1.11941763
 C   2.03305490   1.59647896  -1.02126382
 C   2.47196521  -0.80573818  -1.77778840
 H  -3.33956236   0.43748857   0.31764618
 H  -3.48009140   0.22716680   2.74833450
 S  -1.33822068  -0.22727484   4.86117958
 H   0.72094194  -0.41848940   3.06705414
 H   1.17340187   0.42419060  -3.78886049
 H  -0.87232500   0.58339971  -5.13006460
 H  -3.11674127   0.46394851  -4.03031103
 H  -3.27250954   0.22623294  -1.59550564
 H   3.37709740  -0.15143907   0.75714909
 H   2.61477076  -1.73140450   0.94445364
 H   2.38647469  -0.50295674   2.20169801
 H   2.21491747   1.92165461  -2.05580340
 H   2.98370265   1.61259513  -0.46977961
 H   1.32235664   2.29056040  -0.55083623
 O   0.09128410  -0.49914268   5.19372725
 O  -2.24294128  -1.67135589   4.80109391
 H  -2.61450741  -1.78733408   5.70179886
 H   3.43318347  -0.80909331  -1.24846484
 H   2.08961350  -1.83593316  -1.83277514
 H   2.67229365  -0.45803549  -2.79882438
 37
 Energy -1205.459566546
 C  -1.11852684   0.20214629  -1.25460500
 C  -1.19634040   0.11011188   0.19176727
 C   0.00183238  -0.10809079   0.98234001
 C   1.26195898  -0.19587633   0.36349512
 C   1.43937366   0.12330036  -1.08951779
 C   0.15131478   0.22010160  -1.88787796
 C  -2.42660705   0.22110096   0.87577396
 C  -2.51068399   0.10697486   2.25387206
 C  -1.34805569  -0.13684420   3.00958585
 C  -0.12685516  -0.23429067   2.40350486
 C   0.20817281   0.38136164  -3.27847791
 C  -0.94999941   0.47637781  -4.04441371
 C  -2.20703204   0.41520109  -3.42846285
 C  -2.28672842   0.28465451  -2.05396646
 C   2.47672947  -0.57734361   1.13641901
 C   2.06811096   1.58094619  -1.06780762
 C   2.44306833  -0.85310886  -1.76368996
 H  -3.34352999   0.41158492   0.31912612
 H  -3.48148068   0.20197925   2.74953793
 S  -1.33823647  -0.23846739   4.86206360
 H   0.72617127  -0.40449623   3.06793628
 H   1.17209453   0.42434869  -3.78825443
 H  -0.87458932   0.58730552  -5.12877572
 H  -3.11839327   0.47246654  -4.02724331
 H  -3.27338430   0.23630200  -1.59296882
 H   3.39113309  -0.13410808   0.72136572
 H   2.59846003  -1.67632856   1.05920783
 H   2.41630460  -0.33622291   2.20337084
 H   2.24539841   1.87886534  -2.11119630
 H   3.02520931   1.58964477  -0.52775192
 H   1.37899648   2.30247137  -0.60629022
 O   0.08843781  -0.52537624   5.19412347
 O  -2.25873338  -1.67228695   4.79556367
 H  -2.63230856  -1.78743903   5.69553412
 H   3.40759764  -0.87024580  -1.24058952
 H   2.03112211  -1.87294374  -1.78873084
 H   2.64304361  -0.53682575  -2.79507724
 37
 Energy -1205.459744147
 C  -1.11926987   0.20901984  -1.25305197
 C  -1.19694290   0.11382239   0.19300060
 C   0.00305095  -0.09061659   0.98412350
 C   1.26470437  -0.16525679   0.36773513
 C   1.43973235   0.12309662  -1.09146213
 C   0.15038181   0.22342926  -1.88682524
 C  -2.42889165   0.20924915   0.87690169
 C  -2.51173448   0.09334457   2.25468858
 C  -1.34669064  -0.13995647   3.01073826
 C  -0.12416635  -0.22178375   2.40519731
 C   0.20716856   0.37902840  -3.27816765
 C  -0.95064564   0.47657783  -4.04398947
 C  -2.20769319   0.42315143  -3.42701368
 C  -2.28742782   0.29566338  -2.05234120
 C   2.48366514  -0.50724137   1.15478375
 C   2.10306413   1.56307634  -1.11242194
 C   2.41351141  -0.89940351  -1.74554153
 H  -3.34826825   0.38753181   0.32034339
 H  -3.48357687   0.17648576   2.75035442
 S  -1.33835105  -0.25046893   4.86232003
 H   0.73091888  -0.39054389   3.06750113
 H   1.17160439   0.41768824  -3.78766223
 H  -0.87540470   0.58507485  -5.12861377
 H  -3.11908032   0.48419117  -4.02538946
 H  -3.27425686   0.25431972  -1.59119174
 H   3.40256395  -0.12956306   0.69034926
 H   2.57405267  -1.61115823   1.18900567
 H   2.44215763  -0.15963812   2.19406309
 H   2.27774497   1.83332856  -2.16367316
 H   3.06533630   1.56310967  -0.58186809
 H   1.43571255   2.31179961  -0.66213368
 O   0.08680418  -0.54550771   5.19369380
 O  -2.26683127  -1.67881296   4.78940998
 H  -2.64041559  -1.79608487   5.68909409
 H   3.38038827  -0.92947589  -1.22726642
 H   1.97327322  -1.90752423  -1.74127484
 H   2.61329522  -0.61472488  -2.78628397
 37
 Energy -1205.459911573
 C  -1.12036906   0.21615208  -1.25209960
 C  -1.19840884   0.11686075   0.19355307
 C   0.00294900  -0.07522800   0.98499949
 C   1.26607598  -0.13663997   0.37146526
 C   1.43964897   0.12269777  -1.09268468
 C   0.14945847   0.22695913  -1.88584357
 C  -2.43149810   0.19771988   0.87778300
 C  -2.51250497   0.07987430   2.25531349
 C  -1.34501822  -0.14307610   3.01149825
 C  -0.12169300  -0.21047533   2.40600854
 C   0.20659947   0.37647555  -3.27788650
 C  -0.95068765   0.47704655  -4.04388341
 C  -2.20794094   0.43229744  -3.42637306
 C  -2.28819832   0.30767049  -2.05152895
 C   2.48745208  -0.43751834   1.17393507
 C   2.13748108   1.54271003  -1.15382680
 C   2.38294391  -0.94400341  -1.72543810
 H  -3.35329663   0.36446854   0.32170607
 H  -3.48505595   0.15143699   2.75133110
 S  -1.33775541  -0.26206861   4.86204930
 H   0.73637399  -0.37701687   3.06525327
 H   1.17137932   0.40913677  -3.78745931
 H  -0.87523989   0.58256543  -5.12877820
 H  -3.11907430   0.49757913  -4.02468116
 H  -3.27521872   0.27336264  -1.59029995
 H   3.41105940  -0.13914163   0.66542081
 H   2.54257084  -1.53209737   1.33421352
 H   2.46632516   0.02564533   2.16937636
 H   2.31277824   1.78521810  -2.21161588
 H   3.10282618   1.53344620  -0.62922148
 H   1.49124292   2.31801356  -0.71768821
 O   0.08638543  -0.56223746   5.19300685
 O  -2.27122177  -1.68685541   4.78315018
 H  -2.64529172  -1.80632383   5.68233776
 H   3.35099996  -0.98842529  -1.21023363
 H   1.91447054  -1.93874612  -1.69441366
 H   2.58336271  -0.68904470  -2.77390113
 37
 Energy -1205.460080867
 C  -1.12157718   0.22308958  -1.25139221
 C  -1.20045781   0.11870376   0.19379574
 C   0.00197127  -0.06151484   0.98560944
 C   1.26647434  -0.10908168   0.37497066
 C   1.43938128   0.12273889  -1.09324901
 C   0.14859008   0.23106367  -1.88476449
 C  -2.43464650   0.18439693   0.87812296
 C  -2.51391762   0.06477429   2.25546918
 C  -1.34394376  -0.14602965   3.01205957
 C  -0.11998566  -0.19912925   2.40667514
 C   0.20626784   0.37489922  -3.27741434
 C  -0.95038082   0.47879428  -4.04378748
 C  -2.20787905   0.44265458  -3.42601652
 C  -2.28887914   0.32009373  -2.05108017
 C   2.48922580  -0.36820626   1.19200915
 C   2.17246347   1.51991218  -1.19402144
 C   2.35099478  -0.98748332  -1.70263038
 H  -3.35873956   0.33890011   0.32235415
 H  -3.48723960   0.12364540   2.75157901
 S  -1.33682883  -0.27304600   4.86184007
 H   0.74127086  -0.36118723   3.06309394
 H   1.17148895   0.40207664  -3.78677872
 H  -0.87449243   0.58179511  -5.12889810
 H  -3.11863344   0.51267400  -4.02438000
 H  -3.27613370   0.29277000  -1.58995412
 H   3.41600807  -0.15163579   0.65042747
 H   2.51228585  -1.43763459   1.47629404
 H   2.48801621   0.20449016   2.13081990
 H   2.34941052   1.73405242  -2.25754368
 H   3.14004460   1.50016121  -0.67409818
 H   1.54819956   2.32165036  -0.77381017
 O   0.08713710  -0.57556229   5.19130924
 O  -2.27200367  -1.69646578   4.77692226
 H  -2.64540709  -1.81967369   5.67588267
 H   3.32043296  -1.04417752  -1.19104386
 H   1.85605739  -1.96790563  -1.64288666
 H   2.54955194  -0.76392222  -2.75878933
 37
 Energy -1205.460227689
 C  -1.12286722   0.23012400  -1.25065532
 C  -1.20264528   0.11958168   0.19400653
 C   0.00090865  -0.04736755   0.98656011
 C   1.26654218  -0.08132300   0.37861869
 C   1.43884569   0.12310438  -1.09337589
 C   0.14766426   0.23605834  -1.88355000
 C  -2.43809131   0.16744166   0.87782507
 C  -2.51608804   0.04577516   2.25497835
 C  -1.34365112  -0.14956778   3.01248870
 C  -0.11888394  -0.18592628   2.40774122
 C   0.20606728   0.37472235  -3.27670533
 C  -0.94987510   0.48220042  -4.04352024
 C  -2.20759154   0.45457652  -3.42563305
 C  -2.28951662   0.33319064  -2.05067739
 C   2.49068019  -0.30154661   1.20642185
 C   2.20886744   1.49362543  -1.23546376
 C   2.31612528  -1.03133290  -1.67651859
 H  -3.36433427   0.30739403   0.32180964
 H  -3.49041397   0.08930261   2.75063023
 S  -1.33690109  -0.28285141   4.86148668
 H   0.74521660  -0.33987703   3.06246245
 H   1.17177089   0.39651012  -3.78564098
 H  -0.87345339   0.58303934  -5.12879241
 H  -3.11785086   0.52989162  -4.02409341
 H  -3.27702741   0.31281687  -1.58976029
 H   3.41807920  -0.15471105   0.64375689
 H   2.49150032  -1.33749846   1.59364656
 H   2.50652315   0.35925525   2.08699676
 H   2.38754331   1.67745587  -2.30418325
 H   3.17840275   1.46197573  -0.72003291
 H   1.60897854   2.32271593  -0.83296025
 O   0.08791904  -0.58164735   5.19070571
 O  -2.26756977  -1.70905537   4.77163517
 H  -2.63993039  -1.83694390   5.67036535
 H   3.28691137  -1.09975251  -1.16869804
 H   1.79451884  -1.99537345  -1.58586461
 H   2.51105578  -0.84158653  -2.74013164
 37
 Energy -1205.460337817
 C  -1.12388138   0.23791863  -1.24967308
 C  -1.20468272   0.12051953   0.19436629
 C  -0.00018592  -0.03158032   0.98830948
 C   1.26641472  -0.05306408   0.38255160
 C   1.43827598   0.12355160  -1.09291591
 C   0.14696771   0.24176158  -1.88207433
 C  -2.44168403   0.14722157   0.87675013
 C  -2.51926069   0.02391144   2.25376467
 C  -1.34459783  -0.15137672   3.01306461
 C  -0.11887202  -0.16950204   2.40968106
 C   0.20600210   0.37490036  -3.27575099
 C  -0.94915732   0.48682215  -4.04299674
 C  -2.20700833   0.46888866  -3.42485587
 C  -2.28978108   0.34819218  -2.04991665
 C   2.49179275  -0.23948373   1.21763982
 C   2.24635666   1.46360753  -1.27750514
 C   2.27859139  -1.07531441  -1.64688093
 H  -3.36975851   0.26935171   0.31961306
 H  -3.49488546   0.04902644   2.74808599
 S  -1.33785470  -0.29255835   4.86159275
 H   0.74739091  -0.31281676   3.06403454
 H   1.17203873   0.39013421  -3.78450440
 H  -0.87204635   0.58529968  -5.12841608
 H  -3.11666945   0.55064928  -4.02339326
 H  -3.27745880   0.33583169  -1.58914906
 H   3.41866378  -0.14468021   0.64336372
 H   2.47950758  -1.24247876   1.68167515
 H   2.51961805   0.48548850   2.04725183
 H   2.42655523   1.61536483  -2.35080781
 H   3.21740777   1.41893154  -0.76617907
 H   1.67309533   2.32055665  -0.89494921
 O   0.08903695  -0.58239175   5.18982416
 O  -2.25868171  -1.72469512   4.76434337
 H  -2.63042886  -1.85954357   5.66230827
 H   3.24934941  -1.15741463  -1.14074407
 H   1.72888033  -2.02030506  -1.52685289
 H   2.47105426  -0.91946771  -2.71665248
 37
 Energy -1205.460402638
 C  -1.12444515   0.24620412  -1.24878896
 C  -1.20640302   0.12132911   0.19453382
 C  -0.00131991  -0.01562850   0.99029542
 C   1.26620230  -0.02599963   0.38660118
 C   1.43771642   0.12319061  -1.09187485
 C   0.14672643   0.24719817  -1.88063760
 C  -2.44491130   0.12576646   0.87475568
 C  -2.52274862   0.00032742   2.25154380
 C  -1.34648685  -0.15335463   3.01317805
 C  -0.11971394  -0.15203993   2.41184120
 C   0.20653225   0.37480830  -3.27481396
 C  -0.94786608   0.49232474  -4.04232120
 C  -2.20574696   0.48552586  -3.42401874
 C  -2.28947907   0.36522258  -2.04912110
 C   2.49264244  -0.18133242   1.22683832
 C   2.28269590   1.43080157  -1.31723911
 C   2.24049418  -1.11769463  -1.61507943
 H  -3.37422607   0.22915589   0.31592470
 H  -3.49960744   0.00563893   2.74398901
 S  -1.34091667  -0.30169302   4.86107817
 H   0.74793192  -0.28306427   3.06694555
 H   1.17275441   0.38256146  -3.78350310
 H  -0.87026849   0.58842792  -5.12794041
 H  -3.11479588   0.57506826  -4.02236205
 H  -3.27720909   0.36215322  -1.58828220
 H   3.41835637  -0.13299293   0.64510629
 H   2.47042782  -1.14998078   1.75696611
 H   2.53176361   0.59764239   2.00675453
 H   2.46416536   1.55030251  -2.39417751
 H   3.25466781   1.37304004  -0.80927729
 H   1.73633471   2.31407869  -0.95556362
 O   0.08882248  -0.57581880   5.19046173
 O  -2.24421551  -1.74456251   4.75586303
 H  -2.61558268  -1.88784170   5.65267549
 H   3.21107206  -1.21259240  -1.11053302
 H   1.66416605  -2.04236023  -1.46555859
 H   2.42904745  -0.99590428  -2.69015561
 37
 Energy -1205.460429762
 C  -1.12378315   0.25670407  -1.24831418
 C  -1.20742049   0.12313368   0.19413821
 C  -0.00242877  -0.00139455   0.99200732
 C   1.26594969  -0.00526247   0.39019144
 C   1.43764722   0.11675733  -1.09072053
 C   0.14767467   0.25067257  -1.87958616
 C  -2.44747577   0.10588011   0.87136147
 C  -2.52655439  -0.02213828   2.24785542
 C  -1.34960261  -0.15513038   3.01240538
 C  -0.12176157  -0.13602299   2.41362427
 C   0.20857953   0.37292921  -3.27419180
 C  -0.94453060   0.50108242  -4.04188488
 C  -2.20228401   0.51056376  -3.42326205
 C  -2.28738728   0.38993440  -2.04848012
 C   2.49262447  -0.13798341   1.23410287
 C   2.32094328   1.38850711  -1.35435664
 C   2.20015811  -1.16475115  -1.58218470
 H  -3.37708215   0.19130480   0.30997393
 H  -3.50461059  -0.03569004   2.73772454
 S  -1.34522367  -0.30592948   4.86017200
 H   0.74635187  -0.25529604   3.07033006
 H   1.17482502   0.36940506  -3.78291731
 H  -0.86597654   0.59486936  -5.12763627
 H  -3.11011750   0.61237342  -4.02150090
 H  -3.27497978   0.40038987  -1.58746453
 H   3.41754584  -0.12329491   0.64933821
 H   2.46357302  -1.07943758   1.80982509
 H   2.53966204   0.67738461   1.97627591
 H   2.50366301   1.47594647  -2.43395439
 H   3.29308182   1.31544205  -0.84898091
 H   1.80373104   2.29754250  -1.01425195
 O   0.08718942  -0.56366684   5.19122269
 O  -2.23181155  -1.75854888   4.75174556
 H  -2.60455212  -1.90628676   5.64726337
 H   3.16929765  -1.27459044  -1.07758700
 H   1.59619749  -2.06672025  -1.40574708
 H   2.38599189  -1.07602883  -2.66118501
