 37
 Energy -1205.461201841
 C  -1.16228435   0.06429687  -1.31355913
 C  -1.23358861   0.13626760   0.13564997
 C  -0.03351183   0.18098825   0.89062888
 C   1.33417594   0.14776011   0.23669999
 C   1.31972805   0.06019263  -1.25610128
 C   0.12149944   0.02888564  -1.98766428
 C  -2.47985111   0.16003310   0.81593351
 C  -2.54672856   0.22377973   2.19569601
 C  -1.34925309   0.25903871   2.91861855
 C  -0.11851879   0.25720852   2.28563376
 C   0.15455701  -0.04555412  -3.42142890
 C  -0.99962953  -0.08332622  -4.16242019
 C  -2.24569810  -0.04913872  -3.49759895
 C  -2.32024708   0.02235885  -2.11600474
 C   2.12179190  -1.09532295   0.78434245
 C   2.10093981   1.46424499   0.62159942
 C   2.63738467   0.00666119  -1.96365962
 H  -3.41405920   0.12080684   0.25579132
 H  -3.51294098   0.22983363   2.70604574
 S  -1.30400587   0.42721035   4.75916890
 H   0.75966788   0.29908973   2.93996445
 H   1.11668572  -0.07208505  -3.93328061
 H  -0.96014282  -0.13913011  -5.25206293
 H  -3.16933245  -0.07921702  -4.08185670
 H  -3.30675727   0.04704292  -1.65464042
 H   3.14523650  -1.13040557   0.38803162
 H   1.60104998  -2.02877867   0.52545482
 H   2.18259733  -1.02246882   1.87874633
 H   3.12396274   1.46430207   0.22222970
 H   2.16120767   1.52911433   1.71662627
 H   1.56599281   2.34930854   0.24738527
 O   0.14941397   0.43657284   5.10065307
 O  -1.97348871  -1.13118194   4.94576795
 H  -2.32519932  -1.15390422   5.86125242
 H   3.48906909   0.05448323  -1.27806418
 H   2.72316580  -0.92455479  -2.54988612
 H   2.72749809   0.84190734  -2.67888840
 37
 Energy -1205.461170074
 C  -1.16133301   0.05252004  -1.31359379
 C  -1.23320966   0.12820203   0.13534450
 C  -0.03336475   0.17869470   0.89042580
 C   1.33441670   0.14222513   0.23694430
 C   1.32036283   0.08377006  -1.25731156
 C   0.12234479   0.04453626  -1.98877141
 C  -2.47970191   0.15418284   0.81506550
 C  -2.54706920   0.22311482   2.19457500
 C  -1.34990327   0.25942932   2.91795610
 C  -0.11892159   0.25509288   2.28539458
 C   0.15556028  -0.01418348  -3.42327837
 C  -0.99826551  -0.07143370  -4.16356018
 C  -2.24393856  -0.07744213  -3.49709417
 C  -2.31871039  -0.01689501  -2.11500063
 C   2.09159977  -1.13765743   0.74811668
 C   2.13140697   1.42531206   0.66195285
 C   2.63825808   0.05890714  -1.96599287
 H  -3.41372349   0.11659493   0.25448777
 H  -3.51352372   0.23328427   2.70441030
 S  -1.30523861   0.43790939   4.75772993
 H   0.75900140   0.29763772   2.94000850
 H   1.11750485  -0.01381249  -3.93617322
 H  -0.95875196  -0.11535662  -5.25374439
 H  -3.16710723  -0.12965582  -4.08053117
 H  -3.30490286  -0.02324067  -1.65233757
 H   3.11435541  -1.18472361   0.35090386
 H   1.54877645  -2.05022817   0.46177526
 H   2.15048213  -1.09606236   1.84448200
 H   3.15491368   1.41377597   0.26436246
 H   2.19375675   1.45809324   1.75808164
 H   1.61861924   2.33379917   0.31372378
 O   0.14807306   0.44747851   5.09963169
 O  -1.97659683  -1.11865657   4.95293883
 H  -2.32887292  -1.13565830   5.86832098
 H   3.48961887   0.06496040  -1.27834017
 H   2.72084446  -0.83555920  -2.60614308
 H   2.73203409   0.93547511  -2.63055541
 37
 Energy -1205.461098533
 C  -1.16043850   0.04004059  -1.31305547
 C  -1.23244080   0.12050979   0.13553943
 C  -0.03270363   0.17702832   0.89047909
 C   1.33476497   0.13673170   0.23659966
 C   1.32034492   0.10709934  -1.25864068
 C   0.12233404   0.05897050  -1.98966156
 C  -2.47915301   0.14940897   0.81462113
 C  -2.54696352   0.22404802   2.19383649
 C  -1.35003820   0.26141304   2.91747466
 C  -0.11875793   0.25428352   2.28535482
 C   0.15442786   0.01471770  -3.42472214
 C  -0.99905287  -0.06263107  -4.16374078
 C  -2.24288698  -0.10808618  -3.49536179
 C  -2.31691056  -0.05733544  -2.11283561
 C   2.06032788  -1.17874947   0.70920823
 C   2.16247533   1.38378412   0.69988230
 C   2.63796125   0.11178586  -1.96798684
 H  -3.41293288   0.11347167   0.25350605
 H  -3.51359919   0.23874729   2.70322513
 S  -1.30598885   0.44960720   4.75646982
 H   0.75877504   0.29774612   2.94033698
 H   1.11518310   0.04145165  -3.93912131
 H  -0.96037734  -0.09571928  -5.25433828
 H  -3.16523364  -0.18285121  -4.07764871
 H  -3.30161869  -0.09425730  -1.64838907
 H   3.08128546  -1.23911518   0.30884211
 H   1.49444703  -2.06864920   0.39732197
 H   2.11859926  -1.16809610   1.80654248
 H   3.18574369   1.35933978   0.30266095
 H   2.22762180   1.38466418   1.79611262
 H   1.67313866   2.31489391   0.37859364
 O   0.14722181   0.46098661   5.09867631
 O  -1.97708059  -1.10614218   4.95955470
 H  -2.33017830  -1.11821685   5.87468876
 H   3.48913574   0.07444736  -1.28102234
 H   2.71743812  -0.74144189  -2.66131431
 H   2.73583234   1.02798190  -2.57732047
 37
 Energy -1205.460985505
 C  -1.15887374   0.02815399  -1.31238060
 C  -1.23127107   0.11400954   0.13580401
 C  -0.03179552   0.17587943   0.89086286
 C   1.33525474   0.13133831   0.23630641
 C   1.32048805   0.13038828  -1.25947078
 C   0.12256844   0.07250186  -1.99024573
 C  -2.47838424   0.14655031   0.81376963
 C  -2.54705018   0.22667745   2.19268386
 C  -1.35056978   0.26435981   2.91686202
 C  -0.11876016   0.25416863   2.28560362
 C   0.15287536   0.04095236  -3.42567833
 C  -1.00002332  -0.05638470  -4.16335150
 C  -2.24099860  -0.13893667  -3.49332589
 C  -2.31387635  -0.09639281  -2.11043660
 C   2.02833881  -1.21806219   0.66860823
 C   2.19332204   1.33968416   0.73744213
 C   2.63757812   0.16562267  -1.96834676
 H  -3.41169625   0.11268525   0.25168506
 H  -3.51403439   0.24621649   2.70126144
 S  -1.30760460   0.46070378   4.75530770
 H   0.75797436   0.29857091   2.94144450
 H   1.11163390   0.09244876  -3.94182697
 H  -0.96249962  -0.08016949  -5.25422825
 H  -3.16198941  -0.23571136  -4.07450980
 H  -3.29624787  -0.16202870  -1.64413701
 H   3.04777974  -1.29013826   0.26588653
 H   1.44089697  -2.08412315   0.33076491
 H   2.08451230  -1.23892702   1.76609279
 H   3.21481370   1.30502930   0.33683403
 H   2.26390477   1.30461155   1.83254837
 H   1.72567434   2.29230052   0.44853603
 O   0.14547906   0.47545299   5.09791269
 O  -1.97627185  -1.09542386   4.96431581
 H  -2.32993860  -1.10434798   5.87925815
 H   3.48841855   0.08161567  -1.28490148
 H   2.71349011  -0.64029240  -2.71532809
 H   2.74077275   1.12013668  -2.51607908
 37
 Energy -1205.460836214
 C  -1.15686832   0.01724314  -1.31145593
 C  -1.22978957   0.10918011   0.13622137
 C  -0.03063083   0.17595447   0.89146802
 C   1.33573268   0.12620374   0.23575803
 C   1.32050623   0.15344933  -1.26010345
 C   0.12280947   0.08458934  -1.99076777
 C  -2.47733653   0.14565038   0.81291873
 C  -2.54695443   0.23063804   2.19155495
 C  -1.35095151   0.26833796   2.91630280
 C  -0.11853494   0.25533663   2.28603923
 C   0.15047868   0.06294413  -3.42641755
 C  -1.00177919  -0.05387587  -4.16244379
 C  -2.23904589  -0.16936788  -3.49066025
 C  -2.31017446  -0.13277344  -2.10746949
 C   1.99461490  -1.25557904   0.62672596
 C   2.22465489   1.29318001   0.77250541
 C   2.63699187   0.22125764  -1.96671376
 H  -3.41010550   0.11399120   0.24974502
 H  -3.51430876   0.25472890   2.69926585
 S  -1.30925968   0.47105262   4.75434496
 H   0.75725715   0.30075050   2.94287164
 H   1.10658410   0.13655101  -3.94464612
 H  -0.96565383  -0.07080364  -5.25349040
 H  -3.15847741  -0.28689928  -4.07048729
 H  -3.28953606  -0.22404707  -1.63902991
 H   3.01110148  -1.34139380   0.21895502
 H   1.38413220  -2.09611035   0.26617759
 H   2.05063147  -1.30653816   1.72339834
 H   3.24487960   1.24479127   0.37045701
 H   2.29754989   1.22447212   1.86565056
 H   1.78240447   2.26633336   0.51338623
 O   0.14362025   0.48937702   5.09757077
 O  -1.97460859  -1.08605756   4.96757999
 H  -2.32939322  -1.09285820   5.88209645
 H   3.48679348   0.08352867  -1.29039253
 H   2.70864254  -0.52732191  -2.77017112
 H   2.74822585   1.21399810  -2.44150680
 37
 Energy -1205.460654183
 C  -1.15445636   0.00707478  -1.31053469
 C  -1.22808809   0.10535510   0.13665336
 C  -0.02942093   0.17607151   0.89223037
 C   1.33616435   0.12074076   0.23528885
 C   1.32064930   0.17563511  -1.26033448
 C   0.12342952   0.09405283  -1.99131111
 C  -2.47625827   0.14640366   0.81167091
 C  -2.54708803   0.23594449   2.19003449
 C  -1.35170713   0.27312281   2.91557959
 C  -0.11855711   0.25696775   2.28657929
 C   0.14778823   0.07930157  -3.42715444
 C  -1.00394331  -0.05507604  -4.16128853
 C  -2.23709773  -0.19771720  -3.48768540
 C  -2.30605518  -0.16513535  -2.10421937
 C   1.96078310  -1.29066985   0.58500686
 C   2.25476975   1.24469074   0.80581303
 C   2.63636131   0.28040336  -1.96221913
 H  -3.40828584   0.11699179   0.24707363
 H  -3.51489636   0.26459708   2.69663531
 S  -1.31102233   0.48064905   4.75345132
 H   0.75612763   0.30343300   2.94457187
 H   1.10067343   0.17100919  -3.94811178
 H  -0.96961299  -0.06749879  -5.25245019
 H  -3.15500848  -0.33331692  -4.06597443
 H  -3.28211776  -0.27783922  -1.63350411
 H   2.97475617  -1.38878788   0.17340859
 H   1.32954500  -2.10528525   0.20167858
 H   2.01465301  -1.37155694   1.68012140
 H   3.27255542   1.18401650   0.39963841
 H   2.33139602   1.14060933   1.89572396
 H   1.83697623   2.23670821   0.57965699
 O   0.14183220   0.50330155   5.09656005
 O  -1.97167201  -1.07830166   4.96941950
 H  -2.32691873  -1.08426383   5.88375741
 H   3.48412393   0.07715383  -1.29932445
 H   2.70233309  -0.39437189  -2.82752529
 H   2.75984346   1.31127217  -2.34560523
 37
 Energy -1205.46045343
 C  -1.15170214  -0.00170707  -1.30991492
 C  -1.22634293   0.10285253   0.13679753
 C  -0.02827525   0.17614376   0.89302711
 C   1.33645096   0.11435454   0.23470727
 C   1.32090046   0.19679033  -1.26029768
 C   0.12450989   0.10217606  -1.99206083
 C  -2.47510151   0.14860336   0.81014676
 C  -2.54722275   0.24199082   2.18830377
 C  -1.35253691   0.27809643   2.91475162
 C  -0.11858422   0.25850046   2.28712812
 C   0.14520881   0.09099623  -3.42803337
 C  -1.00596004  -0.05979492  -4.16019080
 C  -2.23515065  -0.22392256  -3.48493267
 C  -2.30166349  -0.19309361  -2.10120975
 C   1.92629431  -1.32394523   0.54396644
 C   2.28347955   1.19458720   0.83616548
 C   2.63584435   0.34142794  -1.95402347
 H  -3.40642836   0.12177111   0.24418017
 H  -3.51554054   0.27503062   2.69371756
 S  -1.31298819   0.48972290   4.75263679
 H   0.75487699   0.30575920   2.94643588
 H   1.09462246   0.19617207  -3.95232399
 H  -0.97283924  -0.07084678  -5.25139260
 H  -3.15164526  -0.37528835  -4.06155425
 H  -3.27439728  -0.32338860  -1.62802720
 H   2.93684628  -1.43492699   0.12693264
 H   1.27421751  -2.11212124   0.14098007
 H   1.97930708  -1.43292737   1.63677342
 H   3.29904151   1.12005828   0.42701556
 H   2.36124437   1.05773700   1.92218576
 H   1.89165413   2.20362111   0.64036677
 O   0.13989323   0.51736330   5.09557007
 O  -1.96753774  -1.07160194   4.97075784
 H  -2.32405950  -1.07735884   5.88458972
 H   3.47953215   0.06134564  -1.31323646
 H   2.69542506  -0.24124276  -2.88263915
 H   2.77757329   1.40539149  -2.22655575
 37
 Energy -1205.460258518
 C  -1.14909306  -0.00898682  -1.30936354
 C  -1.22473669   0.10090697   0.13695615
 C  -0.02719503   0.17599012   0.89389776
 C   1.33656359   0.10783372   0.23391978
 C   1.32068244   0.21887570  -1.26007761
 C   0.12538177   0.11090091  -1.99287149
 C  -2.47400910   0.15039531   0.80863135
 C  -2.54744778   0.24657559   2.18665716
 C  -1.35347582   0.28220895   2.91393380
 C  -0.11869300   0.25969300   2.28771278
 C   0.14266585   0.10025504  -3.42890938
 C  -1.00758839  -0.06727259  -4.15920032
 C  -2.23293130  -0.24907782  -3.48231830
 C  -2.29724844  -0.21812002  -2.09832609
 C   1.89220646  -1.35454634   0.50260964
 C   2.31095334   1.14294804   0.86463495
 C   2.63444832   0.40262921  -1.94373293
 H  -3.40460334   0.12602358   0.24126127
 H  -3.51624066   0.28324339   2.69090379
 S  -1.31502459   0.49854941   4.75170048
 H   0.75356532   0.30836546   2.94822749
 H   1.08880944   0.21595175  -3.95634952
 H  -0.97540523  -0.07942645  -5.25041278
 H  -3.14798277  -0.41493870  -4.05723045
 H  -3.26678266  -0.36321970  -1.62281693
 H   2.89888143  -1.47754830   0.07924142
 H   1.22042350  -2.11600738   0.08136415
 H   1.94478745  -1.49125977   1.59240033
 H   3.32397467   1.05313031   0.45244705
 H   2.38802448   0.97384291   1.94600212
 H   1.94671519   2.16763548   0.69880506
 O   0.13769678   0.53348426   5.09439445
 O  -1.96120422  -1.06607349   4.97254462
 H  -2.31765522  -1.07219283   5.88638611
 H   3.47246629   0.03963489  -1.33643701
 H   2.68515877  -0.07537799  -2.92921971
 H   2.80025309   1.48750586  -2.09501469
 37
 Energy -1205.460050712
 C  -1.14654097  -0.01547565  -1.30880181
 C  -1.22331317   0.09850472   0.13724474
 C  -0.02635088   0.17472089   0.89490237
 C   1.33634946   0.10060045   0.23291818
 C   1.31998250   0.24205941  -1.25908944
 C   0.12618429   0.12030547  -1.99320672
 C  -2.47319640   0.15112658   0.80720717
 C  -2.54796503   0.24964867   2.18516936
 C  -1.35470903   0.28522384   2.91321195
 C  -0.11903326   0.26002317   2.28837029
 C   0.14125048   0.10784631  -3.42918327
 C  -1.00751891  -0.07679471  -4.15809550
 C  -2.22954413  -0.27320281  -3.48012991
 C  -2.29251681  -0.24096578  -2.09591175
 C   1.85896163  -1.38332261   0.45899702
 C   2.33652623   1.08958051   0.89200822
 C   2.63127217   0.46588162  -1.93246914
 H  -3.40299223   0.12898201   0.23833843
 H  -3.51724982   0.28938146   2.68831931
 S  -1.31752669   0.50739975   4.75075742
 H   0.75189472   0.31108026   2.95020190
 H   1.08459370   0.23134058  -3.95937476
 H  -0.97549598  -0.09221426  -5.24926084
 H  -3.14289306  -0.45237896  -4.05375241
 H  -3.25910791  -0.39939242  -1.61854896
 H   2.86100939  -1.51669211   0.02756992
 H   1.16819452  -2.11766302   0.02092521
 H   1.91239741  -1.54823515   1.54489182
 H   3.34671844   0.98447978   0.47669642
 H   2.41155641   0.88697854   1.96760541
 H   2.00002474   2.12835928   0.75764275
 O   0.13516722   0.55261301   5.09269228
 O  -1.95257365  -1.06124924   4.97595667
 H  -2.31007296  -1.06701480   5.88938711
 H   3.46458331   0.02943411  -1.36662951
 H   2.67329891   0.09169995  -2.96101909
 H   2.81815041   1.55742891  -1.96860363
 37
 Energy -1205.459864175
 C  -1.14445767  -0.02074776  -1.30853500
 C  -1.22240185   0.09509715   0.13749072
 C  -0.02596553   0.17121875   0.89614270
 C   1.33600288   0.09186675   0.23231277
 C   1.31860978   0.26515557  -1.25708236
 C   0.12684883   0.12902020  -1.99299974
 C  -2.47273645   0.14945657   0.80591502
 C  -2.54885595   0.24962706   2.18388796
 C  -1.35638169   0.28632202   2.91270093
 C  -0.11983212   0.25832099   2.28917311
 C   0.14168614   0.11196701  -3.42880124
 C  -1.00503067  -0.08795644  -4.15733241
 C  -2.22523111  -0.29242808  -3.47926311
 C  -2.28823934  -0.25789718  -2.09486996
 C   1.82712312  -1.41076366   0.41503803
 C   2.35981343   1.03432662   0.91749795
 C   2.62564305   0.53148502  -1.92020891
 H  -3.40178029   0.12861276   0.23570033
 H  -3.51864433   0.29149340   2.68588777
 S  -1.32021439   0.51688950   4.74959066
 H   0.74983248   0.31255384   2.95214818
 H   1.08373892   0.23848623  -3.96021169
 H  -0.97186767  -0.10921968  -5.24836186
 H  -3.13697842  -0.48108774  -4.05238946
 H  -3.25300432  -0.42512062  -1.61671541
 H   2.82473865  -1.55215470  -0.02441768
 H   1.11939750  -2.11819617  -0.03954114
 H   1.88115958  -1.60426843   1.49622345
 H   3.36705032   0.91351928   0.49928354
 H   2.43141332   0.80157068   1.98711823
 H   2.05177469   2.08530172   0.81188625
 O   0.13217784   0.57511445   5.09056266
 O  -1.94105421  -1.05656866   4.98153578
 H  -2.29858580  -1.06167217   5.89494750
 H   3.45551618   0.02725321  -1.40580207
 H   2.65655632   0.26431904  -2.98099483
 H   2.83279426   1.61718801  -1.84339199
 37
 Energy -1205.459663088
 C  -1.14287410  -0.02104661  -1.30857655
 C  -1.22109474   0.09227085   0.13815277
 C  -0.02496931   0.17151520   0.89745474
 C   1.33573030   0.08613625   0.23073352
 C   1.31714418   0.28775817  -1.25510133
 C   0.12787443   0.13445485  -1.99271646
 C  -2.47136182   0.13834391   0.80669043
 C  -2.54821599   0.23702913   2.18486665
 C  -1.35636872   0.28500427   2.91343739
 C  -0.11911366   0.26223979   2.29015454
 C   0.14558265   0.10439402  -3.42793470
 C  -0.99918932  -0.10569534  -4.15709880
 C  -2.22099570  -0.30056579  -3.47994233
 C  -2.28586904  -0.25834483  -2.09561262
 C   1.79293182  -1.43462144   0.36740541
 C   2.38428829   0.97840289   0.94014184
 C   2.61794788   0.59479171  -1.91021626
 H  -3.40045594   0.11120210   0.23684126
 H  -3.51830542   0.27124808   2.68692236
 S  -1.32426272   0.52599860   4.74942734
 H   0.74975758   0.32504027   2.95314258
 H   1.08885138   0.22338385  -3.95876930
 H  -0.96301223  -0.14006273  -5.24768792
 H  -3.13249108  -0.49007094  -4.05317903
 H  -3.25178519  -0.42154569  -1.61845614
 H   2.78325805  -1.58609891  -0.08534950
 H   1.06472881  -2.11256305  -0.09915924
 H   1.85201602  -1.65647880   1.44293128
 H   3.38652166   0.84538138   0.51369806
 H   2.45621056   0.70928699   2.00116779
 H   2.10373505   2.04017269   0.87104998
 O   0.12716584   0.60011684   5.09155237
 O  -1.93031558  -1.05219639   4.98932003
 H  -2.28834399  -1.05582132   5.90254939
 H   3.44915179   0.04706183  -1.44262879
 H   2.63876102   0.41350423  -2.98867281
 H   2.83427902   1.66896586  -1.74722271
 37
 Energy -1205.45934091
 C  -1.14154761  -0.01423427  -1.30806462
 C  -1.21924144   0.09318381   0.13997743
 C  -0.02315025   0.18016352   0.89926262
 C   1.33579426   0.08945521   0.22894993
 C   1.31705321   0.30736103  -1.25318800
 C   0.12950211   0.13625671  -1.99143436
 C  -2.46875543   0.11989505   0.81040196
 C  -2.54566670   0.21413653   2.18898420
 C  -1.35450182   0.28457186   2.91616679
 C  -0.11708554   0.27654884   2.29180847
 C   0.15296028   0.08464181  -3.42517339
 C  -0.98993956  -0.13165205  -4.15583355
 C  -2.21643893  -0.29974904  -3.48084495
 C  -2.28522429  -0.24096647  -2.09715551
 C   1.76037176  -1.44854134   0.31391015
 C   2.40715774   0.93038203   0.96148653
 C   2.60987833   0.63955470  -1.91096444
 H  -3.39841859   0.07677928   0.24259688
 H  -3.51561060   0.22910504   2.69223395
 S  -1.32906094   0.53221404   4.75158539
 H   0.75115504   0.35272673   2.95393530
 H   1.09921557   0.18925283  -3.95378334
 H  -0.94924054  -0.18675532  -5.24541449
 H  -3.12859476  -0.48396016  -4.05472874
 H  -3.25526770  -0.38601513  -1.62269602
 H   2.73864173  -1.60985870  -0.16124943
 H   1.00751633  -2.09541900  -0.15703598
 H   1.83350126  -1.69824016   1.38259731
 H   3.40494259   0.79077506   0.52699767
 H   2.47907245   0.62106759   2.01158281
 H   2.15251524   2.00046088   0.93246976
 O   0.12034700   0.61728865   5.09876661
 O  -1.92597860  -1.04929222   4.99467481
 H  -2.29098063  -1.05078175   5.90510622
 H   3.46167205   0.15304993  -1.41584652
 H   2.64629987   0.41468835  -2.98116740
 H   2.77327542   1.72974614  -1.79503580
 37
 Energy -1205.458536426
 C  -1.14075146  -0.00498386  -1.30682141
 C  -1.21813087   0.09602344   0.14257468
 C  -0.02204655   0.19183184   0.90184008
 C   1.33538932   0.09919581   0.22846979
 C   1.31749363   0.32505564  -1.25051423
 C   0.13093311   0.13584822  -1.98841548
 C  -2.46653066   0.10196901   0.81497730
 C  -2.54358330   0.19310322   2.19394362
 C  -1.35361486   0.28743664   2.91984381
 C  -0.11644251   0.29478248   2.29426716
 C   0.16214347   0.06091222  -3.41981042
 C  -0.97854168  -0.16011686  -4.15283758
 C  -2.21082041  -0.29623906  -3.48172166
 C  -2.28507259  -0.21776731  -2.09921266
 C   1.73564401  -1.45242352   0.26036282
 C   2.42379496   0.89233214   0.98448160
 C   2.60140919   0.66629857  -1.92283071
 H  -3.39628405   0.04018794   0.24915749
 H  -3.51302574   0.18751386   2.69831225
 S  -1.33275427   0.53538385   4.75611964
 H   0.75080127   0.38378632   2.95582536
 H   1.11209261   0.15152526  -3.94462307
 H  -0.93229493  -0.23761544  -5.24082344
 H  -3.12331702  -0.47323488  -4.05726802
 H  -3.26013418  -0.33950353  -1.62862437
 H   2.69926174  -1.61756749  -0.24282923
 H   0.95909316  -2.07224750  -0.20761305
 H   1.83140019  -1.72748878   1.32121836
 H   3.42033295   0.74346813   0.55058574
 H   2.48698160   0.54774303   2.02417512
 H   2.19540207   1.96853913   0.98889632
 O   0.11533069   0.62547613   5.10734216
 O  -1.92567444  -1.04869831   4.99476915
 H  -2.29255136  -1.05306543   5.90443801
 H   3.47678694   0.33275488  -1.35310499
 H   2.68223456   0.29204436  -2.94937674
 H   2.66546036   1.77212601  -1.97381717
 37
 Energy -1205.457337759
 C  -1.13956793   0.00087912  -1.30473351
 C  -1.21794569   0.09665644   0.14596179
 C  -0.02224822   0.20320821   0.90547325
 C   1.33313287   0.11286928   0.22820593
 C   1.31745020   0.34357205  -1.24723058
 C   0.13278028   0.13262629  -1.98439689
 C  -2.46514823   0.08438369   0.81989397
 C  -2.54271693   0.17626700   2.19920122
 C  -1.35460337   0.29466972   2.92423787
 C  -0.11764448   0.31631691   2.29756722
 C   0.17322457   0.03197267  -3.41254982
 C  -0.96583891  -0.18797733  -4.14877936
 C  -2.20406626  -0.28879207  -3.48286911
 C  -2.28382288  -0.19665372  -2.10135722
 C   1.71423535  -1.45029085   0.19555596
 C   2.43378094   0.86195060   1.00622745
 C   2.59625473   0.68381670  -1.93264644
 H  -3.39437113   0.00324327   0.25564395
 H  -3.51152309   0.15186464   2.70417745
 S  -1.33589322   0.53757062   4.76303744
 H   0.74853126   0.41858523   2.95837206
 H   1.12796297   0.10533724  -3.93179528
 H  -0.91473037  -0.28585485  -5.23492125
 H  -3.11718508  -0.45241790  -4.06134693
 H  -3.26369087  -0.29533309  -1.63538782
 H   2.64247339  -1.61958206  -0.36918321
 H   0.89915940  -2.04464205  -0.23761336
 H   1.87258631  -1.74871296   1.24277693
 H   3.42820466   0.71491260   0.56712613
 H   2.49426829   0.47817040   2.03240004
 H   2.22135762   1.94045027   1.05041573
 O   0.11188304   0.62932001   5.11494122
 O  -1.92572513  -1.04907149   4.99414796
 H  -2.29260656  -1.05830099   5.90375994
 H   3.47739264   0.48591795  -1.31385660
 H   2.72232487   0.18144832  -2.90002248
 H   2.58687716   1.77303795  -2.13720908
 37
 Energy -1205.455486893
 C  -1.13758425   0.00031428  -1.30137440
 C  -1.21846596   0.09528228   0.15040256
 C  -0.02372930   0.21449991   0.91030480
 C   1.32904930   0.13145381   0.22893745
 C   1.31793269   0.35769047  -1.24278040
 C   0.13566078   0.12173812  -1.97888603
 C  -2.46474344   0.06928527   0.82486185
 C  -2.54374331   0.16473799   2.20443036
 C  -1.35801982   0.30499069   2.92917323
 C  -0.12120988   0.34042115   2.30176932
 C   0.18507667  -0.00132703  -3.40284518
 C  -0.95385904  -0.20785247  -4.14377019
 C  -2.19674963  -0.27755481  -3.48370659
 C  -2.28114359  -0.18222069  -2.10237424
 C   1.69702622  -1.44131191   0.11225256
 C   2.43585064   0.84596380   1.02530711
 C   2.59816447   0.68628376  -1.93423338
 H  -3.39277350  -0.02997224   0.26147221
 H  -3.51207479   0.12428643   2.70932952
 S  -1.33878203   0.53875103   4.77122726
 H   0.74349870   0.45498086   2.96239277
 H   1.14451055   0.05333809  -3.91606552
 H  -0.89881067  -0.31570277  -5.22873710
 H  -3.11051597  -0.42233331  -4.06606837
 H  -3.26496777  -0.26137132  -1.64092168
 H   2.55248641  -1.61260114  -0.55694631
 H   0.82872281  -2.01347427  -0.23744415
 H   1.97492295  -1.76162514   1.12796729
 H   3.42863091   0.71429790   0.57807484
 H   2.49889352   0.42532974   2.03705224
 H   2.22512387   1.92253481   1.10923921
 O   0.10970904   0.62984545   5.12015578
 O  -1.92612977  -1.05019141   4.99448759
 H  -2.28996591  -1.06497527   5.90526752
 H   3.47424762   0.56500681  -1.29011098
 H   2.75286869   0.10771850  -2.85485551
 H   2.55886667   1.75227958  -2.23171577
 37
 Energy -1205.452350836
 C  -1.13578036  -0.00460309  -1.29842928
 C  -1.21938365   0.09483385   0.15420334
 C  -0.02650440   0.22734911   0.91529667
 C   1.32370354   0.15886172   0.23263794
 C   1.32129229   0.35614508  -1.23401668
 C   0.13870361   0.10015652  -1.97073965
 C  -2.46465972   0.05890562   0.82844294
 C  -2.54534244   0.15879955   2.20812960
 C  -1.36236496   0.31378487   2.93406140
 C  -0.12610365   0.36090098   2.30681122
 C   0.19478381  -0.03053985  -3.39003231
 C  -0.94511724  -0.21502429  -4.13738761
 C  -2.19113857  -0.26874768  -3.48443522
 C  -2.27890145  -0.17446127  -2.10292375
 C   1.68495388  -1.42965854   0.01687565
 C   2.43436762   0.84702085   1.04259326
 C   2.60517526   0.67414844  -1.92700653
 H  -3.39112912  -0.05556203   0.26528329
 H  -3.51364962   0.10724811   2.71204495
 S  -1.34115903   0.53891489   4.77782685
 H   0.73706354   0.48357419   2.96795560
 H   1.15702561   0.01314703  -3.89925806
 H  -0.88604970  -0.31742482  -5.22269643
 H  -3.10445145  -0.39783931  -4.07110819
 H  -3.26542001  -0.23807859  -1.64467808
 H   2.44970885  -1.59949227  -0.75413361
 H   0.77331807  -1.98492340  -0.23224544
 H   2.09172275  -1.76328047   0.98380602
 H   3.42660128   0.72891990   0.59074527
 H   2.49747238   0.40319844   2.04451705
 H   2.22234782   1.92122742   1.15200215
 O   0.10881629   0.62893798   5.12224793
 O  -1.92660607  -1.05158055   4.99606372
 H  -2.28540401  -1.07086536   5.90870126
 H   3.47606255   0.58886237  -1.27064604
 H   2.77485969   0.05931984  -2.82144896
 H   2.55342961   1.72572017  -2.26815442
 37
 Energy -1205.447539705
 C  -1.13437088  -0.00903524  -1.29851485
 C  -1.22029806   0.09571448   0.15553191
 C  -0.03088397   0.24215084   0.91986990
 C   1.31280066   0.20825284   0.24122744
 C   1.33071172   0.32962150  -1.21562779
 C   0.14024015   0.07443711  -1.96137137
 C  -2.46359282   0.05223803   0.82994225
 C  -2.54556597   0.15631334   2.20968057
 C  -1.36556806   0.31864494   2.93889082
 C  -0.13077959   0.37464110   2.31308846
 C   0.20097364  -0.04936024  -3.37569283
 C  -0.94075320  -0.21501899  -4.13016555
 C  -2.18882511  -0.26492023  -3.48606803
 C  -2.27813662  -0.16987837  -2.10457173
 C   1.67994673  -1.42978303  -0.08370832
 C   2.43378156   0.85842773   1.05853300
 C   2.61229157   0.65692458  -1.91463092
 H  -3.38891577  -0.07332493   0.26735981
 H  -3.51459042   0.09953821   2.71190623
 S  -1.34276984   0.53862483   4.78203326
 H   0.73088034   0.50245550   2.97534274
 H   1.16405546  -0.00798865  -3.88365677
 H  -0.87570586  -0.30573328  -5.21614929
 H  -3.10062197  -0.38599978  -4.07642094
 H  -3.26578579  -0.22181388  -1.64710001
 H   2.38007462  -1.60688029  -0.91119005
 H   0.74143735  -1.96901397  -0.24666210
 H   2.17149497  -1.73536928   0.85232745
 H   3.42244143   0.74000419   0.60027215
 H   2.49267164   0.40307233   2.05562167
 H   2.23240714   1.93354011   1.18331265
 O   0.10859048   0.62824380   5.12260212
 O  -1.92700154  -1.05263872   4.99757100
 H  -2.28127375  -1.07504866   5.91194008
 H   3.48564266   0.59667149  -1.25873395
 H   2.79124275   0.02784203  -2.79689761
 H   2.53795627   1.70097098  -2.27133836
 37
 Energy -1205.441753168
 C  -1.13303566  -0.01174473  -1.30076425
 C  -1.22077937   0.09678305   0.15480353
 C  -0.03472998   0.25649185   0.92384980
 C   1.29537644   0.27631514   0.25539226
 C   1.34575778   0.28236302  -1.18814191
 C   0.13986905   0.05339728  -1.95366831
 C  -2.46188940   0.04798873   0.82986088
 C  -2.54461818   0.15545244   2.20977927
 C  -1.36724406   0.32078748   2.94323370
 C  -0.13449104   0.38307780   2.31978949
 C   0.20469193  -0.05898011  -3.36318289
 C  -0.93961016  -0.21358067  -4.12378905
 C  -2.18873871  -0.26381947  -3.48796665
 C  -2.27850035  -0.16699544  -2.10668645
 C   1.68166867  -1.44244970  -0.18103578
 C   2.43299145   0.87149303   1.07165820
 C   2.61716113   0.64255526  -1.90182371
 H  -3.38627543  -0.08431885   0.26750865
 H  -3.51458581   0.09695198   2.71016770
 S  -1.34376524   0.53829571   4.78453819
 H   0.72650060   0.51336792   2.98261571
 H   1.16714329  -0.01666008  -3.87239411
 H  -0.86922073  -0.29445911  -5.21040617
 H  -3.09906770  -0.38120860  -4.08100154
 H  -3.26663583  -0.21126880  -1.64919931
 H   2.35503780  -1.65671813  -1.02116896
 H   0.72634552  -1.96570956  -0.27235132
 H   2.20903342  -1.66937648   0.75625290
 H   3.41375109   0.74337765   0.60076719
 H   2.48690394   0.41170263   2.06685766
 H   2.25231997   1.95005637   1.20587586
 O   0.10864772   0.62787436   5.12256395
 O  -1.92734820  -1.05312091   4.99846827
 H  -2.27850371  -1.07826365   5.91389577
 H   3.50027401   0.60194721  -1.25732397
 H   2.80113134   0.00882016  -2.77947320
 H   2.51271520   1.68144144  -2.26207579
 37
 Energy -1205.439043674
 C  -1.13201767  -0.01361850  -1.30291079
 C  -1.22109825   0.09775759   0.15287354
 C  -0.03624068   0.27080619   0.92737208
 C   1.27536558   0.34584532   0.27324368
 C   1.36319880   0.22344721  -1.15667864
 C   0.13931254   0.03763511  -1.94730549
 C  -2.46030357   0.04476849   0.82907280
 C  -2.54355095   0.15502944   2.20918585
 C  -1.36809065   0.32197216   2.94723917
 C  -0.13780666   0.38975919   2.32671673
 C   0.20756519  -0.06464968  -3.35270510
 C  -0.93927072  -0.21230397  -4.11826195
 C  -2.18936886  -0.26342728  -3.48908648
 C  -2.27952333  -0.16479358  -2.10840566
 C   1.68624179  -1.45364728  -0.27441608
 C   2.43063000   0.88365162   1.08284666
 C   2.61996216   0.63138547  -1.88926210
 H  -3.38409751  -0.09246892   0.26716662
 H  -3.51453155   0.09619246   2.70807803
 S  -1.34447326   0.53803314   4.78654315
 H   0.72240315   0.52158508   2.99055231
 H   1.16977413  -0.02247792  -3.86242569
 H  -0.86414110  -0.28710320  -5.20516227
 H  -3.09831898  -0.37970419  -4.08395971
 H  -3.26791858  -0.20425738  -1.65071504
 H   2.35021425  -1.73831197  -1.10121893
 H   0.72243343  -1.96740742  -0.29771714
 H   2.22470514  -1.58888087   0.67306556
 H   3.40214231   0.74302202   0.59826540
 H   2.47998941   0.42464456   2.07874689
 H   2.27375749   1.96656403   1.22345216
 O   0.10851658   0.62763956   5.12259514
 O  -1.92777135  -1.05313753   4.99917529
 H  -2.27785930  -1.08007825   5.91502919
 H   3.51432255   0.60475212  -1.25875674
 H   2.80829519  -0.00426601  -2.76437048
 H   2.48755327   1.66604316  -2.24786198
 37
 Energy -1205.441741304
 C  -1.13144227  -0.01517109  -1.30411566
 C  -1.22168952   0.09878006   0.14997544
 C  -0.03595555   0.28761597   0.93047559
 C   1.25548655   0.40842197   0.29209641
 C   1.38079593   0.15763641  -1.12520194
 C   0.14049716   0.02432980  -1.94081429
 C  -2.45915985   0.04152635   0.82780424
 C  -2.54269733   0.15446012   2.20790756
 C  -1.36853997   0.32296970   2.95130001
 C  -0.14138434   0.39740564   2.33430338
 C   0.21033050  -0.06958028  -3.34317939
 C  -0.93845832  -0.21109125  -4.11288846
 C  -2.19036640  -0.26295534  -3.48940796
 C  -2.28102688  -0.16242073  -2.10974454
 C   1.69248863  -1.45785862  -0.36832891
 C   2.42647780   0.89677501   1.09304644
 C   2.62091198   0.62113050  -1.87619364
 H  -3.38250060  -0.10092767   0.26670305
 H  -3.51466365   0.09541271   2.70543605
 S  -1.34520009   0.53774598   4.78883630
 H   0.71856189   0.52986533   2.99853580
 H   1.17257633  -0.02881801  -3.85286720
 H  -0.85943392  -0.28061984  -5.20004217
 H  -3.09784786  -0.37844363  -4.08625630
 H  -3.26980324  -0.19740894  -1.65211605
 H   2.34298344  -1.83134502  -1.17158391
 H   0.72858713  -1.97128488  -0.32221460
 H   2.24016358  -1.52207762   0.58120571
 H   3.38845124   0.74022040   0.59569664
 H   2.47165886   0.44163401   2.09114938
 H   2.29654578   1.98445723   1.23713626
 O   0.10824713   0.62742433   5.12270500
 O  -1.92819167  -1.05301055   4.99972656
 H  -2.27732654  -1.08227116   5.91599109
 H   3.52616918   0.60532222  -1.25976669
 H   2.81429389  -0.01415500  -2.75036744
 H   2.46326695   1.65232710  -2.23050617
 37
 Energy -1205.447415946
 C  -1.13092497  -0.01680662  -1.30414095
 C  -1.22264835   0.10048933   0.14687116
 C  -0.03592690   0.30982497   0.93357296
 C   1.23844263   0.45889544   0.30895609
 C   1.39620480   0.09325276  -1.09817681
 C   0.14395340   0.01098748  -1.93341151
 C  -2.45855023   0.03708828   0.82628379
 C  -2.54234154   0.15340756   2.20607441
 C  -1.36952878   0.32467992   2.95577627
 C  -0.14590704   0.40972732   2.34252927
 C   0.21360412  -0.07604125  -3.33336494
 C  -0.93683516  -0.20984529  -4.10671000
 C  -2.19117331  -0.26164900  -3.48934228
 C  -2.28275041  -0.15902644  -2.11041456
 C   1.70245304  -1.46194798  -0.46598324
 C   2.42028030   0.91341418   1.10250324
 C   2.62013795   0.61034845  -1.86140204
 H  -3.38124793  -0.11311207   0.26634279
 H  -3.51530815   0.09313019   2.70190959
 S  -1.34621041   0.53723115   4.79213507
 H   0.71447497   0.54229519   3.00609739
 H   1.17583978  -0.03791627  -3.84325843
 H  -0.85462478  -0.27273588  -5.19430107
 H  -3.09713872  -0.37451121  -4.08880181
 H  -3.27221642  -0.18736393  -1.65371207
 H   2.31488917  -1.91264795  -1.26145772
 H   0.74560315  -1.97941392  -0.34431750
 H   2.28052317  -1.49254220   0.46759836
 H   3.37380767   0.73546308   0.59647999
 H   2.46006970   0.46570971   2.10440590
 H   2.32042304   2.00591986   1.24468924
 O   0.10772282   0.62693771   5.12314618
 O  -1.92875320  -1.05297789   5.00024570
 H  -2.27486889  -1.08645326   5.91754600
 H   3.53471287   0.60215938  -1.25756238
 H   2.81918988  -0.01971278  -2.73828501
 H   2.44038793   1.63970736  -2.20792835
 37
 Energy -1205.452130617
 C  -1.13014969  -0.01856162  -1.30215795
 C  -1.22393854   0.10378390   0.14572908
 C  -0.03781051   0.33688863   0.93669176
 C   1.22821360   0.48738766   0.32044082
 C   1.40610197   0.04682344  -1.08073764
 C   0.14787679  -0.00247497  -1.92516127
 C  -2.45861128   0.03009156   0.82579312
 C  -2.54350709   0.15080793   2.20506664
 C  -1.37286080   0.33000551   2.96043379
 C  -0.15246313   0.43251046   2.34993321
 C   0.21782419  -0.08686169  -3.32286492
 C  -0.93353041  -0.20962151  -4.09942375
 C  -2.19074737  -0.25786856  -3.48805450
 C  -2.28376475  -0.15362808  -2.10979782
 C   1.71908560  -1.47955581  -0.56334718
 C   2.41231836   0.93296490   1.11020847
 C   2.61925109   0.60170559  -1.84446322
 H  -3.37994347  -0.13339777   0.26743809
 H  -3.51723995   0.08521457   2.69910397
 S  -1.34823627   0.53635639   4.79740597
 H   0.70710438   0.56798779   3.01383999
 H   1.18082175  -0.05441405  -3.83169259
 H  -0.84778807  -0.26641769  -5.18713840
 H  -3.09517874  -0.36516788  -4.09058547
 H  -3.27400418  -0.17218337  -1.65414813
 H   2.24805530  -1.96400955  -1.39826473
 H   0.77662360  -1.99675136  -0.34962789
 H   2.37149645  -1.51308990   0.32074887
 H   3.36319326   0.72847329   0.60916570
 H   2.44088434   0.50468751   2.12126919
 H   2.33787804   2.03053912   1.23556675
 O   0.10640880   0.62609772   5.12475413
 O  -1.92982165  -1.05354160   5.00109506
 H  -2.27120116  -1.09215794   5.92011317
 H   3.53800356   0.59208057  -1.24604920
 H   2.82336955  -0.01701668  -2.72814213
 H   2.42738680   1.63315653  -2.17650223
 37
 Energy -1205.455250887
 C  -1.12938149  -0.01919240  -1.29795825
 C  -1.22535224   0.10737570   0.14788037
 C  -0.04057493   0.36035348   0.93929207
 C   1.22517280   0.49054075   0.32714952
 C   1.41155630   0.02055555  -1.07244845
 C   0.15021797  -0.01344653  -1.91734868
 C  -2.45913086   0.01987036   0.82787679
 C  -2.54649594   0.14472686   2.20661584
 C  -1.37888337   0.34257838   2.96441475
 C  -0.16128973   0.46607571   2.35448945
 C   0.22218160  -0.10328908  -3.31331385
 C  -0.92897710  -0.21312107  -4.09239503
 C  -2.18878049  -0.24983350  -3.48517734
 C  -2.28368334  -0.14483827  -2.10754609
 C   1.74120025  -1.50739353  -0.65243894
 C   2.40579580   0.94739576   1.11269091
 C   2.61971661   0.60261749  -1.82811002
 H  -3.37739166  -0.16206472   0.27018435
 H  -3.51974474   0.06527764   2.69959173
 S  -1.35198463   0.53596058   4.80492822
 H   0.69640338   0.60972119   3.01890348
 H   1.18645774  -0.08039902  -3.82034143
 H  -0.84098335  -0.26740919  -5.18014231
 H  -3.09237254  -0.34668494  -4.09070377
 H  -3.27491459  -0.15094742  -1.65365941
 H   2.14412788  -1.98975980  -1.55597266
 H   0.82771905  -2.02144036  -0.32869859
 H   2.49986949  -1.55950751   0.14174922
 H   3.35933366   0.70742191   0.63211102
 H   2.41664049   0.56306183   2.14127441
 H   2.35109406   2.05123288   1.19080827
 O   0.10363236   0.62495420   5.12809403
 O  -1.93141437  -1.05499870   5.00076475
 H  -2.26823776  -1.10004019   5.92117138
 H   3.53936199   0.57889710  -1.23119795
 H   2.82529742   0.00466079  -2.72542947
 H   2.42594127   1.64101608  -2.13599547
 37
 Energy -1205.457117722
 C  -1.12900153  -0.01767499  -1.29292743
 C  -1.22629186   0.10829308   0.15206877
 C  -0.04219529   0.37453484   0.94252612
 C   1.22553755   0.47909326   0.33285648
 C   1.41607055   0.00209798  -1.06864969
 C   0.15124755  -0.02252937  -1.91057156
 C  -2.45891762   0.00547564   0.83215981
 C  -2.54928388   0.13478954   2.21041888
 C  -1.38593003   0.36077878   2.96811258
 C  -0.17038164   0.50056515   2.35789385
 C   0.22540468  -0.12459215  -3.30503806
 C  -0.92495835  -0.22196571  -4.08616836
 C  -2.18666457  -0.23706203  -3.48179583
 C  -2.28361445  -0.13019674  -2.10481012
 C   1.76645074  -1.53026780  -0.73017226
 C   2.40624970   0.94780765   1.10850675
 C   2.61706948   0.61914271  -1.81330628
 H  -3.37314170  -0.19744849   0.27500854
 H  -3.52071184   0.03575588   2.70352040
 S  -1.35766820   0.53758572   4.81332942
 H   0.68450200   0.65485308   3.02336498
 H   1.19138316  -0.11742390  -3.80950604
 H  -0.83544133  -0.28119939  -5.17352134
 H  -3.09011107  -0.32024535  -4.08950607
 H  -3.27538437  -0.12115969  -1.65212892
 H   2.04879244  -1.99973212  -1.68443469
 H   0.89557395  -2.04906986  -0.30881047
 H   2.61443980  -1.59786938  -0.03327407
 H   3.35891195   0.63125577   0.67066875
 H   2.38217706   0.65416015   2.16525852
 H   2.39890814   2.05636710   1.08760524
 O   0.09865031   0.62523711   5.13339788
 O  -1.93390711  -1.05614898   4.99567833
 H  -2.26921405  -1.10942478   5.91624598
 H   3.53872308   0.57914674  -1.22012258
 H   2.82289293   0.05308450  -2.73070364
 H   2.41687673   1.66617578  -2.08538774
 37
 Energy -1205.458261137
 C  -1.12805861  -0.01417106  -1.28856071
 C  -1.22523545   0.10679422   0.15645553
 C  -0.04125650   0.38048896   0.94688690
 C   1.22726881   0.46417141   0.33832994
 C   1.41934872  -0.01080579  -1.06697118
 C   0.15166826  -0.03167284  -1.90546054
 C  -2.45642004  -0.01105949   0.83649754
 C  -2.54953833   0.12350564   2.21416252
 C  -1.39078149   0.37484241   2.97136922
 C  -0.17580033   0.52261419   2.36207653
 C   0.22597430  -0.14908196  -3.29852158
 C  -0.92456672  -0.23489219  -4.08018410
 C  -2.18759893  -0.22175267  -3.47755824
 C  -2.28415842  -0.10957637  -2.10113089
 C   1.79342078  -1.54310686  -0.79068189
 C   2.41581474   0.93420956   1.09842967
 C   2.60710407   0.65006523  -1.79970772
 H  -3.36652769  -0.23280459   0.27967199
 H  -3.51899999   0.00839230   2.70762990
 S  -1.36528542   0.54162288   4.81977379
 H   0.67670507   0.68381604   3.02875964
 H   1.19300894  -0.16184863  -3.80128513
 H  -0.83467741  -0.30474109  -5.16690039
 H  -3.09136365  -0.28949177  -4.08669145
 H  -3.27626590  -0.08032239  -1.64980759
 H   2.01064869  -1.99463523  -1.77005045
 H   0.95630363  -2.07777519  -0.32216736
 H   2.68632203  -1.61864571  -0.15330535
 H   3.35007938   0.48342843   0.74085094
 H   2.33996249   0.79157470   2.18178705
 H   2.51098918   2.02496126   0.92075875
 O   0.09070964   0.62997948   5.14062703
 O  -1.93754375  -1.05579852   4.98627339
 H  -2.27218221  -1.11951736   5.90642512
 H   3.53084760   0.60615267  -1.20979299
 H   2.81769131   0.11882737  -2.73645230
 H   2.38775682   1.70191312  -2.03658683
 37
 Energy -1205.458986203
 C  -1.12707739  -0.00780570  -1.28469896
 C  -1.22157268   0.10491361   0.16040115
 C  -0.03661110   0.37920915   0.95110635
 C   1.23083799   0.44980670   0.34160413
 C   1.42197964  -0.01873152  -1.06811898
 C   0.15133649  -0.04222420  -1.90212693
 C  -2.45142308  -0.02564105   0.83993990
 C  -2.54611522   0.11192099   2.21691168
 C  -1.39044876   0.37868371   2.97376487
 C  -0.17455773   0.52847718   2.36674905
 C   0.22327117  -0.17867162  -3.29360964
 C  -0.92864716  -0.25191119  -4.07398912
 C  -2.19152564  -0.20337980  -3.47184695
 C  -2.28570850  -0.08257908  -2.09629910
 C   1.82491187  -1.54702312  -0.84017192
 C   2.42995643   0.91297113   1.08797041
 C   2.59132937   0.68918971  -1.79030954
 H  -3.35825368  -0.25995461   0.28287243
 H  -3.51408960  -0.01223611   2.71113061
 S  -1.37576655   0.54710173   4.82207719
 H   0.67635946   0.69256552   3.03486700
 H   1.19041327  -0.21550745  -3.79556664
 H  -0.84066421  -0.33673003  -5.15979427
 H  -3.09642594  -0.25344447  -4.08097757
 H  -3.27663782  -0.02838002  -1.64457243
 H   2.02020637  -1.97649945  -1.83368910
 H   1.01006783  -2.10588721  -0.36003296
 H   2.73636733  -1.62284701  -0.22977570
 H   3.32536891   0.32675372   0.83452494
 H   2.30849982   0.92984741   2.17510098
 H   2.64653526   1.94993087   0.76160318
 O   0.07755653   0.64134933   5.15227516
 O  -1.94291303  -1.05359291   4.98004809
 H  -2.28097839  -1.12268435   5.89856946
 H   3.51820884   0.64472595  -1.20496803
 H   2.80542012   0.19450376  -2.74594556
 H   2.34733810   1.74316540  -1.99161195
 37
 Energy -1205.45927479
 C  -1.12572060   0.00077022  -1.28231862
 C  -1.21653788   0.10406299   0.16292636
 C  -0.02935218   0.36889720   0.95441767
 C   1.23712795   0.43115302   0.34332622
 C   1.42551763  -0.02200474  -1.07329758
 C   0.15083347  -0.05364276  -1.90089830
 C  -2.44622571  -0.03261208   0.84144897
 C  -2.54099927   0.10216360   2.21801605
 C  -1.38638440   0.37298376   2.97546059
 C  -0.16873755   0.51954494   2.37105192
 C   0.21810776  -0.21282157  -3.29048130
 C  -0.93571092  -0.27289727  -4.06853481
 C  -2.19688977  -0.18405593  -3.46646981
 C  -2.28716793  -0.05209144  -2.09204696
 C   1.86671460  -1.54195515  -0.88730299
 C   2.44338755   0.87849207   1.08845099
 C   2.56967375   0.73554485  -1.78965537
 H  -3.35166390  -0.26923586   0.28309990
 H  -3.50835732  -0.02520103   2.71261900
 S  -1.38841458   0.55460835   4.82158202
 H   0.68130338   0.68511578   3.04001288
 H   1.18406404  -0.27799099  -3.79243718
 H  -0.85101819  -0.37642943  -5.15297684
 H  -3.10298828  -0.21581241  -4.07505438
 H  -3.27582769   0.02845632  -1.63921515
 H   2.05136631  -1.94899637  -1.89211896
 H   1.07486528  -2.12970323  -0.40268758
 H   2.79177634  -1.60985454  -0.29691019
 H   3.31817337   0.24875082   0.86529534
 H   2.31103839   0.93498714   2.17270854
 H   2.70508339   1.89361016   0.73030888
 O   0.06013814   0.66024497   5.16691679
 O  -1.94946798  -1.04812855   4.98472040
 H  -2.29798023  -1.11222289   5.89969187
 H   3.50692697   0.68421282  -1.22135739
 H   2.77340844   0.28410872  -2.76851624
 H   2.30225286   1.79167086  -1.94457377
 37
 Energy -1205.459425741
 C  -1.12511858   0.00411441  -1.28121039
 C  -1.21375045   0.10205353   0.16411977
 C  -0.02431791   0.35159890   0.95750242
 C   1.24256765   0.40511555   0.34695291
 C   1.42812816  -0.02087343  -1.07877562
 C   0.15013653  -0.06264505  -1.90027600
 C  -2.44491684  -0.03015480   0.84113214
 C  -2.54016103   0.10228667   2.21747635
 C  -1.38513575   0.36785925   2.97654518
 C  -0.16504012   0.50308722   2.37454604
 C   0.21442346  -0.23602428  -3.28859337
 C  -0.94006915  -0.28987492  -4.06539699
 C  -2.19988456  -0.17649708  -3.46379323
 C  -2.28787483  -0.03647695  -2.09024349
 C   1.91298781  -1.52936484  -0.93297615
 C   2.45405167   0.82592628   1.10048491
 C   2.54163030   0.79121975  -1.78831476
 H  -3.35085007  -0.26082053   0.28116493
 H  -3.50855293  -0.02090000   2.71116715
 S  -1.39668057   0.56500937   4.82089053
 H   0.68449007   0.66770096   3.04441156
 H   1.17969230  -0.31792810  -3.78994215
 H  -0.85753807  -0.40644606  -5.14867416
 H  -3.10642809  -0.19839502  -4.07214186
 H  -3.27507382   0.05938810  -1.63726090
 H   2.09399478  -1.91182528  -1.94799172
 H   1.14436926  -2.14890734  -0.45014473
 H   2.84781420  -1.58575156  -0.35717728
 H   3.33725346   0.23185448   0.82360240
 H   2.33811196   0.80752879   2.18833027
 H   2.68747496   1.86941073   0.80967029
 O   0.04953338   0.67639929   5.17391573
 O  -1.95630160  -1.03713293   4.99530424
 H  -2.30997676  -1.09372581   5.90878113
 H   3.48847488   0.74960127  -1.23528644
 H   2.74049482   0.37629758  -2.78414683
 H   2.24115457   1.84318396  -1.90601707
 37
 Energy -1205.459584346
 C  -1.12569361  -0.00048571  -1.28000853
 C  -1.21401463   0.09883627   0.16501316
 C  -0.02236185   0.33247146   0.96019890
 C   1.24556291   0.37671487   0.35196024
 C   1.42939895  -0.01718104  -1.08288707
 C   0.14919888  -0.06771591  -1.89951816
 C  -2.44737727  -0.01975515   0.84119374
 C  -2.54279065   0.11412037   2.21712854
 C  -1.38584649   0.36870483   2.97750872
 C  -0.16349869   0.48707694   2.37713699
 C   0.21314840  -0.24348797  -3.28781472
 C  -0.94111739  -0.29914175  -4.06431869
 C  -2.20083317  -0.18377861  -3.46230808
 C  -2.28867802  -0.04192984  -2.08917577
 C   1.95625265  -1.51297028  -0.98070025
 C   2.46148934   0.76508049   1.11756792
 C   2.51220580   0.84946545  -1.77967747
 H  -3.35550988  -0.23949361   0.28051031
 H  -3.51315026   0.00195726   2.70963742
 S  -1.39885279   0.57627113   4.82080972
 H   0.68643231   0.64784123   3.04748746
 H   1.17878005  -0.32690707  -3.78871146
 H  -0.85913030  -0.41932831  -5.14723086
 H  -3.10752841  -0.20662524  -4.07041295
 H  -3.27605962   0.05354533  -1.63665226
 H   2.13455541  -1.86790590  -2.00606579
 H   1.21047864  -2.16450936  -0.50380972
 H   2.89925706  -1.55924565  -0.41776494
 H   3.35280335   0.21595177   0.78356225
 H   2.36206973   0.65658595   2.20236640
 H   2.66484936   1.83488171   0.91147817
 O   0.04732418   0.68339918   5.17518067
 O  -1.96512831  -1.02257405   5.00310038
 H  -2.32002137  -1.07342230   5.91644318
 H   3.46507848   0.82303615  -1.23615379
 H   2.71206313   0.46838770  -2.78881781
 H   2.17695289   1.89391926  -1.86493140
 37
 Energy -1205.459715607
 C  -1.12652005  -0.00677333  -1.27900230
 C  -1.21461725   0.09617891   0.16570157
 C  -0.02091994   0.31494394   0.96214275
 C   1.24800227   0.34879279   0.35627900
 C   1.43026639  -0.01321655  -1.08668252
 C   0.14820261  -0.07069443  -1.89918690
 C  -2.45004686  -0.00606628   0.84142621
 C  -2.54477991   0.13017653   2.21691892
 C  -1.38533569   0.37155446   2.97832241
 C  -0.16115138   0.47254024   2.37903517
 C   0.21219253  -0.24512644  -3.28784064
 C  -0.94177839  -0.30594761  -4.06391514
 C  -2.20177502  -0.19639631  -3.46096212
 C  -2.28967914  -0.05414374  -2.08805349
 C   1.99596574  -1.49500150  -1.02766819
 C   2.46740556   0.70250874   1.13522137
 C   2.48338585   0.90470577  -1.76758069
 H  -3.36095419  -0.21324532   0.28062002
 H  -3.51701116   0.03124122   2.70859251
 S  -1.39875137   0.58715242   4.82068101
 H   0.68997501   0.62816956   3.04922329
 H   1.17839132  -0.32538188  -3.78854293
 H  -0.85999826  -0.42701821  -5.14674491
 H  -3.10870650  -0.22451841  -4.06848005
 H  -3.27758623   0.03548802  -1.63566244
 H   2.17347354  -1.82182875  -2.06237797
 H   1.27140997  -2.17684876  -0.56023218
 H   2.94508873  -1.53243380  -0.47475493
 H   3.36692670   0.20777856   0.74615547
 H   2.38405405   0.49570531   2.20785768
 H   2.63859166   1.79207273   1.02599976
 O   0.04769615   0.68482954   5.17649306
 O  -1.97717165  -1.00664586   5.00921785
 H  -2.33452429  -1.05012636   5.92199920
 H   3.44114058   0.89141579  -1.23217541
 H   2.68314159   0.55740455  -2.78895623
 H   2.11654506   1.94058977  -1.82035697
 37
 Energy -1205.459852657
 C  -1.12757519  -0.01377562  -1.27833179
 C  -1.21567774   0.09376575   0.16595023
 C  -0.02043499   0.30027550   0.96304242
 C   1.24947732   0.32243725   0.35982787
 C   1.43064976  -0.00998406  -1.08970437
 C   0.14719930  -0.07418500  -1.89884534
 C  -2.45251647   0.00627118   0.84176840
 C  -2.54588420   0.14517487   2.21686950
 C  -1.38405831   0.37536326   2.97882874
 C  -0.15879308   0.46148155   2.37984459
 C   0.21178004  -0.24587063  -3.28790810
 C  -0.94169765  -0.31184802  -4.06390518
 C  -2.20215799  -0.20944251  -3.46029789
 C  -2.29063724  -0.06740185  -2.08751006
 C   2.03485929  -1.47536712  -1.07146420
 C   2.47096047   0.63919997   1.15377685
 C   2.45337613   0.95704733  -1.75346790
 H  -3.36595981  -0.19006784   0.28128264
 H  -3.51936719   0.05804246   2.70833048
 S  -1.39699221   0.59812284   4.82028261
 H   0.69459006   0.61369259   3.04815339
 H   1.17873800  -0.32157252  -3.78824407
 H  -0.85975421  -0.43271877  -5.14673493
 H  -3.10912409  -0.24300751  -4.06750497
 H  -3.27926649   0.01594182  -1.63557294
 H   2.21254473  -1.77480119  -2.11431452
 H   1.33171561  -2.18646683  -0.61475778
 H   2.98909462  -1.50265175  -0.52709721
 H   3.37983410   0.21383008   0.71112152
 H   2.40450803   0.32060193   2.20112047
 H   2.60456547   1.73920404   1.15946437
 O   0.04997795   0.68313318   5.17706060
 O  -1.99089966  -0.98934137   5.01410651
 H  -2.35006786  -1.02590691   5.92647112
 H   3.41346179   0.96140803  -1.22201295
 H   2.65657992   0.63908627  -2.78383300
 H   2.05402767   1.98172474  -1.78000883
 37
 Energy -1205.459981959
 C  -1.12886225  -0.02109453  -1.27777519
 C  -1.21695444   0.09207442   0.16599587
 C  -0.02033588   0.28742608   0.96318832
 C   1.25028623   0.29742482   0.36244328
 C   1.43075168  -0.00716394  -1.09258982
 C   0.14597714  -0.07836506  -1.89870404
 C  -2.45472004   0.01869376   0.84239720
 C  -2.54596284   0.16022748   2.21716191
 C  -1.38156121   0.37927777   2.97923682
 C  -0.15566845   0.45156502   2.38003815
 C   0.21069886  -0.24720763  -3.28818279
 C  -0.94250642  -0.31815667  -4.06394677
 C  -2.20321126  -0.22308316  -3.45945689
 C  -2.29186615  -0.08135541  -2.08673894
 C   2.07385127  -1.45345996  -1.11382279
 C   2.47260102   0.57677134   1.17146726
 C   2.42216791   1.00745559  -1.73762160
 H  -3.37076853  -0.16700812   0.28262743
 H  -3.52024915   0.08479459   2.70896934
 S  -1.39384782   0.60878167   4.81966863
 H   0.70064539   0.59954650   3.04580787
 H   1.17822990  -0.31847446  -3.78840389
 H  -0.86038671  -0.43856947  -5.14681399
 H  -3.11030686  -0.26213247  -4.06612884
 H  -3.28085563  -0.00428734  -1.63468368
 H   2.25289373  -1.72591568  -2.16370649
 H   1.39293202  -2.19334311  -0.66913910
 H   3.03218181  -1.46914511  -0.57651048
 H   3.38985637   0.22888525   0.68313384
 H   2.42385492   0.14473131   2.17993053
 H   2.56788853   1.67290646   1.29873827
 O   0.05347173   0.67995241   5.17781385
 O  -2.00480884  -0.97163155   5.01843161
 H  -2.36669991  -1.00052419   5.92999810
 H   3.38590161   1.02476425  -1.21294767
 H   2.62360157   0.72125982  -2.77776320
 H   1.99369110   2.02056913  -1.73426206
 37
 Energy -1205.460133034
 C  -1.13017232  -0.02789861  -1.27750873
 C  -1.21861410   0.09185259   0.16570699
 C  -0.02080432   0.27627049   0.96304227
 C   1.25046971   0.27374329   0.36480299
 C   1.43077125  -0.00488102  -1.09474705
 C   0.14495217  -0.08326159  -1.89828000
 C  -2.45729235   0.03410669   0.84246886
 C  -2.54622927   0.17811922   2.21699220
 C  -1.37913673   0.38361980   2.97951678
 C  -0.15276996   0.44174268   2.38006291
 C   0.21037662  -0.24984352  -3.28802880
 C  -0.94232999  -0.32601060  -4.06377821
 C  -2.20356506  -0.23799549  -3.45900980
 C  -2.29295057  -0.09527589  -2.08649312
 C   2.11304315  -1.42940302  -1.15410173
 C   2.47261812   0.51575541   1.18809066
 C   2.38928544   1.05624929  -1.71986934
 H  -3.37604189  -0.13952514   0.28329908
 H  -3.52143861   0.11604324   2.70885946
 S  -1.39002503   0.61817639   4.81924470
 H   0.70687015   0.58295350   3.04333314
 H   1.17856509  -0.31669643  -3.78791549
 H  -0.86000135  -0.44654868  -5.14660884
 H  -3.11050073  -0.28309125  -4.06551284
 H  -3.28245716  -0.02430747  -1.63465630
 H   2.29449207  -1.67505049  -2.21007704
 H   1.45504593  -2.19752274  -0.72272058
 H   3.07453813  -1.43223964  -0.62245828
 H   3.39680936   0.25098158   0.66364430
 H   2.44285736  -0.02728359   2.14401488
 H   2.53025164   1.59219977   1.43896389
 O   0.05766137   0.67454143   5.17825840
 O  -2.01834281  -0.95493128   5.02140632
 H  -2.38115876  -0.97838315   5.93274658
 H   3.35473481   1.08968642  -1.19893040
 H   2.59100782   0.79971108  -2.76784874
 H   1.93053782   2.05548273  -1.68982193
 37
 Energy -1205.460257027
 C  -1.13101290  -0.03431842  -1.27728421
 C  -1.22014923   0.09343894   0.16521772
 C  -0.02121308   0.26579852   0.96315485
 C   1.25063823   0.25068640   0.36748025
 C   1.43105702  -0.00320343  -1.09600896
 C   0.14455026  -0.08939227  -1.89745087
 C  -2.45990261   0.05350744   0.84168588
 C  -2.54704176   0.19912874   2.21608824
 C  -1.37740418   0.38763811   2.97964426
 C  -0.15042406   0.43083744   2.38043300
 C   0.21094238  -0.25478058  -3.28730302
 C  -0.94097572  -0.33626872  -4.06345045
 C  -2.20277921  -0.25435747  -3.45881113
 C  -2.29321836  -0.10924612  -2.08662280
 C   2.15400659  -1.40243676  -1.19387010
 C   2.47260116   0.45718873   1.20212294
 C   2.35435372   1.10436217  -1.69940858
 H  -3.38118437  -0.10570632   0.28244378
 H  -3.52341835   0.15247610   2.70737572
 S  -1.38642393   0.62638659   4.81866601
 H   0.71186877   0.56272173   3.04238208
 H   1.17986440  -0.31801913  -3.78651998
 H  -0.85778259  -0.45776440  -5.14611172
 H  -3.10938313  -0.30582990  -4.06529468
 H  -3.28332811  -0.04363119  -1.63537931
 H   2.33791028  -1.62028951  -2.25532980
 H   1.52108980  -2.19915701  -0.77693669
 H   3.11824101  -1.39067156  -0.66760688
 H   3.40048784   0.26519467   0.65400609
 H   2.45982390  -0.17752405   2.10192564
 H   2.50179307   1.50366619   1.55849437
 O   0.06158571   0.66616790   5.17850511
 O  -2.03394882  -0.93832960   5.02464367
 H  -2.39828750  -0.95399314   5.93555511
 H   3.32146785   1.15313165  -1.18256324
 H   2.55436970   0.87879128  -2.75501559
 H   1.86580388   2.08804750  -1.64135801
 37
 Energy -1205.460348058
 C  -1.13141323  -0.04181630  -1.27640920
 C  -1.22048400   0.09480218   0.16531800
 C  -0.02017423   0.25378778   0.96399134
 C   1.25175001   0.22733944   0.36962326
 C   1.43147109  -0.00164201  -1.09782481
 C   0.14412152  -0.09638384  -1.89681156
 C  -2.46125088   0.07577259   0.84105587
 C  -2.54698760   0.22412233   2.21519996
 C  -1.37498006   0.39249666   2.98013166
 C  -0.14720415   0.41772164   2.38166157
 C   0.21072052  -0.26057513  -3.28682339
 C  -0.94101934  -0.34854785  -4.06241017
 C  -2.20290859  -0.27367676  -3.45696427
 C  -2.29353080  -0.12539853  -2.08518157
 C   2.19541161  -1.37239751  -1.23580807
 C   2.47451706   0.40392223   1.21063485
 C   2.31701061   1.15227073  -1.67697957
 H  -3.38493690  -0.06700482   0.28141758
 H  -3.52459025   0.19572182   2.70546398
 S  -1.38223523   0.63450066   4.81867147
 H   0.71724144   0.53734260   3.04327396
 H   1.17997304  -0.31906730  -3.78621092
 H  -0.85796229  -0.47115723  -5.14495192
 H  -3.10956016  -0.33270923  -4.06269387
 H  -3.28394702  -0.06584952  -1.63388357
 H   2.37932916  -1.56191964  -2.30251211
 H   1.59051347  -2.19784866  -0.83322079
 H   3.16308895  -1.34461755  -0.71679526
 H   3.40314977   0.26405839   0.64854832
 H   2.47435927  -0.29501743   2.06290878
 H   2.48749580   1.42098909   1.64266715
 O   0.06582120   0.65246071   5.17995400
 O  -2.05443965  -0.91937163   5.02695442
 H  -2.41880899  -0.92811786   5.93794477
 H   3.28598840   1.21535340  -1.16490055
 H   2.51273018   0.96005045  -2.74015680
 H   1.79915414   2.11850907  -1.58841218
 37
 Energy -1205.460413757
 C  -1.13183286  -0.05015071  -1.27512128
 C  -1.22005782   0.09592613   0.16576387
 C  -0.01813319   0.24118304   0.96466785
 C   1.25347301   0.20540828   0.37049881
 C   1.43160492  -0.00016756  -1.10043944
 C   0.14327088  -0.10326546  -1.89666735
 C  -2.46133290   0.09964122   0.84098427
 C  -2.54527340   0.25121499   2.21487633
 C  -1.37092808   0.39751620   2.98091560
 C  -0.14274644   0.40339239   2.38277282
 C   0.20915613  -0.26599373  -3.28689739
 C  -0.94286395  -0.36165605  -4.06104308
 C  -2.20442302  -0.29573844  -3.45379936
 C  -2.29431006  -0.14413258  -2.08236401
 C   2.23280765  -1.34229417  -1.27598649
 C   2.47740323   0.35733509   1.21494624
 C   2.28093856   1.19499437  -1.65601821
 H  -3.38740863  -0.02517960   0.28106465
 H  -3.52368489   0.24267411   2.70425621
 S  -1.37453234   0.64379309   4.81875848
 H   0.72370090   0.50887011   3.04416352
 H   1.17830342  -0.31844493  -3.78729847
 H  -0.86044771  -0.48500139  -5.14355268
 H  -3.11145854  -0.36388435  -4.05798883
 H  -3.28465144  -0.09235332  -1.63004381
 H   2.41852310  -1.50285823  -2.34691275
 H   1.65354532  -2.19399982  -0.89066455
 H   3.20199999  -1.30094420  -0.76098181
 H   3.40573210   0.25721429   0.64405940
 H   2.48746715  -0.38885866   2.02714876
 H   2.48031743   1.34762790   1.70397534
 O   0.07319482   0.62846332   5.18158978
 O  -2.08467269  -0.89225331   5.03117800
 H  -2.44961813  -0.88940459   5.94197847
 H   3.25031441   1.27301028  -1.14649164
 H   2.47381288   1.03194484  -2.72477974
 H   1.73585178   2.14337772  -1.54192989
 37
 Energy -1205.460423454
 C  -1.13442042  -0.05742099  -1.27207513
 C  -1.21908766   0.10073516   0.16782278
 C  -0.01440792   0.23367410   0.96484038
 C   1.25562323   0.19173832   0.36788442
 C   1.42950827   0.00471474  -1.10597200
 C   0.13905259  -0.10969563  -1.89709651
 C  -2.45958443   0.12825229   0.84388380
 C  -2.53974962   0.28307360   2.21756228
 C  -1.36236669   0.40585049   2.98309846
 C  -0.13477571   0.39310598   2.38375256
 C   0.20133555  -0.27507372  -3.28728131
 C  -0.95244323  -0.38155074  -4.05727843
 C  -2.21237533  -0.32378957  -3.44578673
 C  -2.29880185  -0.16498700  -2.07497079
 C   2.26383349  -1.31036861  -1.31191459
 C   2.48216362   0.32693523   1.21157311
 C   2.24346567   1.23444243  -1.64419725
 H  -3.38834522   0.02171766   0.28469393
 H  -3.51783380   0.29471574   2.70748211
 S  -1.36171513   0.64712719   4.82138984
 H   0.73419876   0.48259972   3.04413603
 H   1.16927409  -0.32220722  -3.79056168
 H  -0.87264898  -0.50869286  -5.13953609
 H  -3.12091140  -0.40365556  -4.04627808
 H  -3.28808626  -0.12101362  -1.61957709
 H   2.44915340  -1.44786266  -2.38596131
 H   1.70898455  -2.18375654  -0.93936235
 H   3.23480222  -1.25445886  -0.80188857
 H   3.40863271   0.26560052   0.63228555
 H   2.50654997  -0.45827908   1.98671208
 H   2.47380564   1.29153055   1.74812310
 O   0.08481132   0.59439058   5.18543363
 O  -2.11118992  -0.87098865   5.02842019
 H  -2.47771905  -0.86092790   5.93852546
 H   3.21491436   1.32631749  -1.14073406
 H   2.42878807   1.09644873  -2.71798332
 H   1.67510506   2.16582843  -1.50614210
