 37
 Energy -1205.458714921
 C  -1.20877915   0.08465360  -1.25654656
 C  -1.22293333   0.02688782   0.19461846
 C   0.00587813   0.01953316   0.90630476
 C   1.34756949   0.04674830   0.19555812
 C   1.27164425   0.07065809  -1.29993046
 C   0.04655792   0.09344999  -1.98310606
 C  -2.44183907  -0.02806137   0.91835445
 C  -2.45288311  -0.07446550   2.29972246
 C  -1.23501102  -0.08434031   2.98151974
 C  -0.02305218  -0.02453196   2.30609813
 C   0.02182296   0.13165333  -3.41907992
 C  -1.16113668   0.16977871  -4.11244869
 C  -2.37927712   0.17348106  -3.39609815
 C  -2.39813248   0.13267900  -2.01151728
 C   2.15922987  -1.23185280   0.60747579
 C   2.12606565   1.33438526   0.64371685
 C   2.56013249   0.07488519  -2.06192270
 H  -3.39658898  -0.04447505   0.39257043
 H  -3.37784026  -0.12619409   2.88251160
 S  -1.33144931  -0.06259418   4.82866860
 H   0.90446427  -0.04057605   2.88372280
 H   0.96226539   0.13291931  -3.97036117
 H  -1.16624058   0.19985289  -5.20381181
 H  -3.32565146   0.20888992  -3.94244736
 H  -3.36488959   0.14055098  -1.50965712
 H   3.16549948  -1.23084398   0.16799677
 H   1.62940491  -2.14403461   0.29649292
 H   2.26662566  -1.25049965   1.70050318
 H   3.12920369   1.37472261   0.19839600
 H   2.23965915   1.31858624   1.73636435
 H   1.56998960   2.24123830   0.36453631
 O  -0.45840877  -1.53161556   4.91723063
 O  -2.77597460  -0.25628566   5.13912971
 H  -0.17161440  -1.60137097   5.85274514
 H   3.43929773   0.07628030  -1.41016742
 H   2.62329882  -0.81101937  -2.71727450
 H   2.62019789   0.96005462  -2.71759542
 37
 Energy -1205.45867662
 C  -1.20733653   0.09724739  -1.25495927
 C  -1.22134159   0.03583515   0.19598610
 C   0.00760194   0.02117691   0.90730869
 C   1.34899391   0.05245238   0.19582360
 C   1.27238728   0.04858546  -1.29995985
 C   0.04711597   0.07825021  -1.98265559
 C  -2.44042200  -0.01991560   0.91926658
 C  -2.45162947  -0.07223226   2.30041899
 C  -1.23375595  -0.08612201   2.98192885
 C  -0.02152954  -0.02482619   2.30705103
 C   0.02105061   0.10092037  -3.41891143
 C  -1.16183785   0.15896334  -4.11111447
 C  -2.37831636   0.20299923  -3.39331552
 C  -2.39615367   0.17304360  -2.00842459
 C   2.19089874  -1.19225191   0.64150879
 C   2.09663950   1.37209794   0.60905772
 C   2.56017944   0.02852575  -2.06269735
 H  -3.39489771  -0.03582172   0.39289476
 H  -3.37650940  -0.12605305   2.88317555
 S  -1.32943501  -0.07637206   4.82919724
 H   0.90593937  -0.04223659   2.88466091
 H   0.96030819   0.07494183  -3.97151323
 H  -1.16786165   0.17718684  -5.20274058
 H  -3.32413813   0.26064755  -3.93873571
 H  -3.36139731   0.21186073  -1.50501954
 H   3.19607289  -1.18075308   0.20004302
 H   1.68238621  -2.12520713   0.35777241
 H   2.30371240  -1.17919227   1.73386459
 H   3.09856908   1.42380794   0.16176180
 H   2.20829878   1.38589072   1.70212859
 H   1.51888485   2.25760132   0.30644109
 O  -0.47447398  -1.55643873   4.90655734
 O  -2.77615627  -0.25576467   5.13884334
 H  -0.18937171  -1.63746697   5.84169297
 H   3.43984061   0.06613194  -1.41261439
 H   2.62862343  -0.88928424  -2.67296642
 H   2.61394152   0.87986524  -2.76116596
 37
 Energy -1205.458609639
 C  -1.20547455   0.10981776  -1.25347872
 C  -1.21953080   0.04424240   0.19723481
 C   0.00932827   0.02219920   0.90840292
 C   1.35020368   0.05775751   0.19577266
 C   1.27302326   0.02649263  -1.29988811
 C   0.04763653   0.06544337  -1.98226924
 C  -2.43894730  -0.01221997   0.91980723
 C  -2.45052000  -0.07040044   2.30073373
 C  -1.23273262  -0.08824782   2.98222204
 C  -0.02009395  -0.02586560   2.30805476
 C   0.01943914   0.07420581  -3.41860845
 C  -1.16323962   0.15059210  -4.10954637
 C  -2.37704280   0.23125744  -3.39053591
 C  -2.39331771   0.21099771  -2.00540692
 C   2.22278283  -1.15009996   0.67468010
 C   2.06498140   1.40890805   0.57221334
 C   2.56042538  -0.02406849  -2.06142077
 H  -3.39298741  -0.02701292   0.39255116
 H  -3.37542231  -0.12624331   2.88329269
 S  -1.32883608  -0.08906928   4.82947941
 H   0.90700347  -0.04525668   2.88606158
 H   0.95681834   0.02339638  -3.97267020
 H  -1.17048730   0.15838978  -5.20127822
 H  -3.32192533   0.30929228  -3.93502471
 H  -3.35625449   0.27770746  -1.50039435
 H   3.22597051  -1.12846064   0.22940606
 H   1.73603570  -2.10305285   0.42070994
 H   2.34206098  -1.10357112   1.76523193
 H   3.06580112   1.47183341   0.12363343
 H   2.17307565   1.45323878   1.66503191
 H   1.46592292   2.27122098   0.24517527
 O  -0.48538187  -1.57591122   4.89862105
 O  -2.77699080  -0.25959247   5.13764565
 H  -0.20230577  -1.66511170   5.83366553
 H   3.43939852   0.06534375  -1.41528054
 H   2.63877984  -0.98274173  -2.60545282
 H   2.60711531   0.77567162  -2.81771687
 37
 Energy -1205.458514875
 C  -1.20355862   0.12202053  -1.25184779
 C  -1.21792010   0.05163646   0.19856877
 C   0.01082127   0.02258089   0.90960456
 C   1.35111723   0.06188775   0.19580077
 C   1.27318999   0.00318090  -1.29941611
 C   0.04782179   0.05315352  -1.98164061
 C  -2.43776838  -0.00588354   0.92016714
 C  -2.45005414  -0.06911521   2.30093567
 C  -1.23246832  -0.09025839   2.98243128
 C  -0.01931450  -0.02725347   2.30914356
 C   0.01685384   0.05069664  -3.41794298
 C  -1.16538180   0.14633512  -4.10746978
 C  -2.37561600   0.26134803  -3.38734300
 C  -2.38994111   0.24860207  -2.00204763
 C   2.25352934  -1.10702274   0.70735488
 C   2.03234748   1.44299713   0.53343320
 C   2.55977035  -0.07886663  -2.05874698
 H  -3.39126784  -0.02045548   0.39183351
 H  -3.37515885  -0.12710796   2.88295697
 S  -1.32751001  -0.10127781   4.82948153
 H   0.90722996  -0.04905894   2.88768224
 H   0.95158169  -0.02324727  -3.97374269
 H  -1.17435932   0.14594342  -5.19922293
 H  -3.31914958   0.35990144  -3.93086284
 H  -3.34981813   0.34176596  -1.49529803
 H   3.25408148  -1.07632771   0.25717941
 H   1.78864137  -2.07887284   0.48590811
 H   2.37963707  -1.02494677   1.79483588
 H   3.03073659   1.51803800   0.08095620
 H   2.13836752   1.51819254   1.62491806
 H   1.41066370   2.27990542   0.18351461
 O  -0.49287262  -1.59343955   4.88882205
 O  -2.77632060  -0.26541821   5.13803027
 H  -0.20964603  -1.69022834   5.82305013
 H   3.43797823   0.06056403  -1.42017820
 H   2.64763772  -1.07315660  -2.53444522
 H   2.60012582   0.66646676  -2.86780679
 37
 Energy -1205.458459943
 C  -1.20070947   0.13279385  -1.25049341
 C  -1.21553648   0.05572051   0.19953268
 C   0.01291201   0.02112747   0.91071070
 C   1.35232775   0.06595459   0.19508680
 C   1.27373256  -0.01994137  -1.29927987
 C   0.04856094   0.04205970  -1.98167144
 C  -2.43591587  -0.00493704   0.91974405
 C  -2.44922201  -0.07253400   2.30035280
 C  -1.23205746  -0.09473074   2.98232157
 C  -0.01810957  -0.03055468   2.31016014
 C   0.01375708   0.03151630  -3.41787690
 C  -1.16807450   0.14663297  -4.10540763
 C  -2.37384266   0.29236485  -3.38377519
 C  -2.38546955   0.28420493  -1.99835304
 C   2.28522968  -1.06162740   0.73696504
 C   1.99939867   1.47452014   0.49479107
 C   2.55966372  -0.13667091  -2.05382109
 H  -3.38869235  -0.02043430   0.39002546
 H  -3.37456340  -0.13291006   2.88177473
 S  -1.32737841  -0.11109028   4.82939533
 H   0.90761568  -0.05394197   2.88971090
 H   0.94496603  -0.06299204  -3.97620205
 H  -1.17915099   0.14080766  -5.19711912
 H  -3.31585526   0.41114258  -3.92584735
 H  -3.34158408   0.40137304  -1.48935209
 H   3.28258098  -1.02046418   0.28074396
 H   1.84416575  -2.05129102   0.54804909
 H   2.41765857  -0.94408820   1.82026759
 H   2.99520826   1.56131347   0.03846296
 H   2.10367849   1.57719352   1.58437343
 H   1.35746706   2.28747936   0.12576303
 O  -0.50242859  -1.60836394   4.88348563
 O  -2.77718640  -0.26670703   5.13740102
 H  -0.21267373  -1.70793502   5.81540606
 H   3.43541604   0.06827181  -1.42899878
 H   2.66439688  -1.16807577  -2.44044346
 H   2.59050802   0.53591337  -2.92319699
 37
 Energy -1205.458236307
 C  -1.19743894   0.14238401  -1.24952783
 C  -1.21268225   0.05839385   0.20012368
 C   0.01537751   0.01895898   0.91155973
 C   1.35377638   0.07054932   0.19403612
 C   1.27448993  -0.04265061  -1.29919981
 C   0.04973808   0.03320781  -1.98204009
 C  -2.43353979  -0.00583316   0.91889678
 C  -2.44786824  -0.07818453   2.29929711
 C  -1.23115209  -0.10207396   2.98174971
 C  -0.01648325  -0.03583648   2.31081731
 C   0.01084410   0.01864121  -3.41810428
 C  -1.17050435   0.15138576  -4.10365689
 C  -2.37191368   0.32066203  -3.38050683
 C  -2.38065933   0.31463279  -1.99492543
 C   2.31694089  -1.01294956   0.76529203
 C   1.96473429   1.50548721   0.45408658
 C   2.55929234  -0.19713762  -2.04697964
 H  -3.38562409  -0.02170322   0.38786473
 H  -3.37354724  -0.14069883   2.87994876
 S  -1.32791019  -0.11967348   4.82841327
 H   0.90841182  -0.06073766   2.89129993
 H   0.93831202  -0.09112179  -3.97949152
 H  -1.18329152   0.14356645  -5.19533466
 H  -3.31259728   0.45633677  -3.92095391
 H  -3.33310274   0.45052185  -1.48360887
 H   3.31084420  -0.96079704   0.30310712
 H   1.90117156  -2.01930044   0.60992596
 H   2.45454713  -0.85944490   1.84328068
 H   2.95721506   1.60461858  -0.00737373
 H   2.06743202   1.63699136   1.54084782
 H   1.30139628   2.29175772   0.06580625
 O  -0.51123172  -1.62118055   4.88552983
 O  -2.77882803  -0.26807699   5.13527123
 H  -0.22718384  -1.72195036   5.81910066
 H   3.43185176   0.07521622  -1.44286595
 H   2.68204229  -1.25891785  -2.33543585
 H   2.58173736   0.39276281  -2.97318313
 37
 Energy -1205.458088306
 C  -1.19452433   0.14979823  -1.24856126
 C  -1.21002807   0.05983690   0.20075863
 C   0.01750027   0.01813015   0.91264544
 C   1.35463838   0.07595725   0.19260896
 C   1.27454922  -0.06531447  -1.29900494
 C   0.05055430   0.02504296  -1.98269844
 C  -2.43123986  -0.00831030   0.91832372
 C  -2.44644618  -0.08314960   2.29867858
 C  -1.23016630  -0.10660789   2.98161001
 C  -0.01481334  -0.03882730   2.31174000
 C   0.00735244   0.01069907  -3.41864972
 C  -1.17367442   0.16023534  -4.10176667
 C  -2.37094722   0.34646156  -3.37680248
 C  -2.37653945   0.33971546  -1.99105583
 C   2.34622785  -0.96320735   0.79098122
 C   1.93030385   1.53420855   0.41342651
 C   2.55810063  -0.26033275  -2.03663707
 H  -3.38275860  -0.02627194   0.38624491
 H  -3.37240275  -0.14808375   2.87863077
 S  -1.32758770  -0.12784021   4.82808311
 H   0.90931660  -0.06473045   2.89304810
 H   0.93102383  -0.10925550  -3.98373984
 H  -1.18793600   0.15410464  -5.19342667
 H  -3.31054144   0.49662008  -3.91524156
 H  -3.32540937   0.49000834  -1.47702657
 H   3.33733214  -0.89852936   0.32453088
 H   1.95693389  -1.98438402   0.66629764
 H   2.48538483  -0.77573925   1.86324605
 H   2.91829026   1.64551518  -0.05509977
 H   2.03303685   1.69293174   1.49665838
 H   1.24610663   2.29387256   0.00903014
 O  -0.51668722  -1.63243214   4.88266679
 O  -2.77907817  -0.27194631   5.13434403
 H  -0.23358287  -1.73621616   5.81622285
 H   3.42532965   0.08835975  -1.46334808
 H   2.70497061  -1.34438360  -2.20996621
 H   2.57081533   0.22917081  -3.01821230
 37
 Energy -1205.457956579
 C  -1.19206659   0.15584323  -1.24733341
 C  -1.20790098   0.06041658   0.20177422
 C   0.01965903   0.01754927   0.91346951
 C   1.35539378   0.08196834   0.19078965
 C   1.27399520  -0.08843624  -1.29855392
 C   0.05090689   0.01608230  -1.98307310
 C  -2.42926183  -0.01069308   0.91834211
 C  -2.44496437  -0.08729882   2.29869917
 C  -1.22886762  -0.10943407   2.98160066
 C  -0.01305059  -0.03861244   2.31250435
 C   0.00379594   0.00406299  -3.41893972
 C  -1.17648671   0.17048912  -4.09987156
 C  -2.36978027   0.37109881  -3.37304811
 C  -2.37257364   0.36261534  -1.98710851
 C   2.37421868  -0.91301608   0.81325869
 C   1.89711369   1.56025094   0.37406703
 C   2.55542191  -0.32483632  -2.02465441
 H  -3.38023864  -0.03074909   0.38527658
 H  -3.37088150  -0.15484118   2.87841163
 S  -1.32637921  -0.13597417   4.82797090
 H   0.91041540  -0.06384087   2.89457558
 H   0.92395603  -0.12300365  -3.98765176
 H  -1.19184318   0.16790067  -5.19152348
 H  -3.30826313   0.53472452  -3.90953525
 H  -3.31798458   0.52584166  -1.47056944
 H   3.36360034  -0.82917583   0.34625157
 H   2.01609889  -1.94822418   0.71194002
 H   2.50887117  -0.69775211   1.88072338
 H   2.88085953   1.68225675  -0.10099738
 H   1.99932302   1.74538093   1.45320335
 H   1.19410306   2.29397827  -0.04543757
 O  -0.52208063  -1.64411503   4.87779477
 O  -2.77857520  -0.27467955   5.13360491
 H  -0.24290644  -1.75412437   5.81182254
 H   3.41417396   0.11392733  -1.50030842
 H   2.73719926  -1.41693680  -2.06450289
 H   2.55270606   0.04305513  -3.05653343
 37
 Energy -1205.457831662
 C  -1.18946780   0.16273289  -1.24580325
 C  -1.20568201   0.06359585   0.20318650
 C   0.02176346   0.01894138   0.91500017
 C   1.35606661   0.08940728   0.18929766
 C   1.27281297  -0.11286998  -1.29675586
 C   0.05098749   0.00525012  -1.98232299
 C  -2.42727382  -0.00984630   0.91858336
 C  -2.44371729  -0.08931529   2.29893215
 C  -1.22794170  -0.11309692   2.98186043
 C  -0.01136238  -0.04020554   2.31374656
 C   0.00173438  -0.00504397  -3.41798742
 C  -1.17677623   0.17991836  -4.09768621
 C  -2.36629370   0.39637213  -3.36992958
 C  -2.36753830   0.38697915  -1.98374814
 C   2.40094992  -0.85835592   0.83640758
 C   1.86405477   1.58613104   0.33003733
 C   2.55029088  -0.38826258  -2.01341425
 H  -3.37762482  -0.03087887   0.38430667
 H  -3.36988592  -0.15873092   2.87800673
 S  -1.32580555  -0.14634562   4.82802115
 H   0.91137744  -0.06802128   2.89648007
 H   0.91925608  -0.14056512  -3.98871353
 H  -1.19252927   0.18050895  -5.18933122
 H  -3.30283924   0.57401532  -3.90530280
 H  -3.30952083   0.56438522  -1.46545553
 H   3.38557107  -0.76428215   0.36149587
 H   2.06906947  -1.90522251   0.77071119
 H   2.53794315  -0.60578534   1.89532265
 H   2.84244398   1.71662324  -0.15414190
 H   1.96754400   1.79991029   1.40381880
 H   1.14240949   2.29241448  -0.10425576
 O  -0.52734695  -1.65756293   4.87292459
 O  -2.77848120  -0.28079696   5.13316913
 H  -0.24884942  -1.77194442   5.80664955
 H   3.40397001   0.11386134  -1.53770174
 H   2.75590165  -1.47487731  -1.94852308
 H   2.53481986  -0.12072371  -3.07468098
 37
 Energy -1205.45771252
 C  -1.18709334   0.16940202  -1.24407834
 C  -1.20394171   0.06745086   0.20486378
 C   0.02343686   0.02197716   0.91677495
 C   1.35625925   0.09897974   0.18795592
 C   1.27100139  -0.13725142  -1.29352369
 C   0.05078469  -0.00661337  -1.98059190
 C  -2.42575738  -0.00867828   0.91897525
 C  -2.44286799  -0.09121465   2.29938721
 C  -1.22731182  -0.11630823   2.98213786
 C  -0.01001863  -0.04027517   2.31507459
 C   0.00086239  -0.01589991  -3.41597914
 C  -1.17506339   0.18800785  -4.09530207
 C  -2.36110569   0.42068208  -3.36745850
 C  -2.36204239   0.41077200  -1.98100186
 C   2.42608629  -0.80087451   0.85784875
 C   1.83100759   1.61161754   0.28586886
 C   2.54323341  -0.45182123  -2.00095995
 H  -3.37534739  -0.03086984   0.38320758
 H  -3.36913996  -0.16280954   2.87800196
 S  -1.32340689  -0.15776666   4.82787178
 H   0.91197125  -0.07011963   2.89855804
 H   0.91644544  -0.16015263  -3.98754743
 H  -1.19041531   0.19164338  -5.18694411
 H  -3.29509092   0.61216956  -3.90255072
 H  -3.30078544   0.60236101  -1.46169848
 H   3.40676689  -0.69275421   0.37779297
 H   2.12371520  -1.85821291   0.82315394
 H   2.56053528  -0.51475295   1.90848938
 H   2.80355332   1.74977462  -0.20820398
 H   1.93633548   1.85379967   1.35348451
 H   1.09134628   2.29022376  -0.16168178
 O  -0.53602127  -1.67484792   4.86511555
 O  -2.77654867  -0.28366632   5.13443058
 H  -0.25511800  -1.79437731   5.79747853
 H   3.39334869   0.10272663  -1.57759410
 H   2.76927752  -1.52442820  -1.84199354
 H   2.51461873  -0.27842010  -3.08070456
 37
 Energy -1205.457603334
 C  -1.18549558   0.17168571  -1.24275649
 C  -1.20187863   0.07217523   0.20696673
 C   0.02569448   0.02115551   0.91862155
 C   1.35666459   0.10471141   0.18598125
 C   1.26914962  -0.16004127  -1.29048724
 C   0.05114399  -0.01244388  -1.97910803
 C  -2.42331115   0.00465371   0.92188630
 C  -2.44016563  -0.07893213   2.30244378
 C  -1.22472340  -0.11790252   2.98405154
 C  -0.00681854  -0.04758515   2.31650285
 C   0.00395576  -0.01057030  -3.41423876
 C  -1.16997697   0.20398740  -4.09423515
 C  -2.35721802   0.42968673  -3.36683909
 C  -2.35962131   0.41408918  -1.98017573
 C   2.45144056  -0.74543505   0.87523121
 C   1.79668236   1.63219876   0.24085519
 C   2.53391325  -0.51473220  -1.99007580
 H  -3.37364457  -0.00955000   0.38721422
 H  -3.36677678  -0.14363533   2.88128820
 S  -1.32211546  -0.16904538   4.82974551
 H   0.91508695  -0.08803324   2.89912919
 H   0.92075630  -0.14919491  -3.98521418
 H  -1.18265708   0.21906615  -5.18580973
 H  -3.29089879   0.62242775  -3.90197713
 H  -3.29916317   0.60364154  -1.46159070
 H   3.42636468  -0.62599236   0.38617222
 H   2.17794199  -1.81127275   0.87534614
 H   2.58609774  -0.42351507   1.91548588
 H   2.76070387   1.77951726  -0.26738535
 H   1.90767682   1.90113201   1.30154793
 H   1.03671730   2.28200002  -0.21487254
 O  -0.54516001  -1.69136137   4.86014939
 O  -2.77636700  -0.28637648   5.13461115
 H  -0.26592403  -1.81744103   5.79215659
 H   3.38440977   0.07621585  -1.61741955
 H   2.77225970  -1.56976956  -1.75245144
 H   2.49178608  -0.42350645  -3.07901382
 37
 Energy -1205.457309598
 C  -1.18407891   0.16568258  -1.24167574
 C  -1.19896355   0.07447951   0.20965963
 C   0.02894296   0.01314869   0.92095935
 C   1.35767859   0.10048999   0.18365567
 C   1.26934640  -0.17717535  -1.28896058
 C   0.05282874  -0.01167890  -1.97803745
 C  -2.41927778   0.02858523   0.92735212
 C  -2.43565366  -0.05325524   2.30816656
 C  -1.22096712  -0.11864786   2.98835609
 C  -0.00245615  -0.06457243   2.31880345
 C   0.01125482   0.01178878  -3.41236634
 C  -1.16150343   0.22923439  -4.09379690
 C  -2.35425768   0.42432680  -3.36741481
 C  -2.36006912   0.39312699  -1.98089545
 C   2.47284875  -0.70307474   0.89115421
 C   1.76744305   1.64108004   0.19124682
 C   2.52514421  -0.55506812  -1.99190947
 H  -3.37139991   0.03275808   0.39593081
 H  -3.36299045  -0.10096237   2.88744904
 S  -1.32559941  -0.17669618   4.83522048
 H   0.91935273  -0.12315145   2.89972658
 H   0.93141127  -0.11058819  -3.98170608
 H  -1.16975260   0.26496163  -5.18493502
 H  -3.28959449   0.60844510  -3.90266618
 H  -3.30463904   0.56207827  -1.46459747
 H   3.44228035  -0.58610601   0.39093152
 H   2.22019041  -1.77314314   0.93407887
 H   2.61152946  -0.33835241   1.91680212
 H   2.71790275   1.79515126  -0.34014999
 H   1.89386357   1.93542090   1.24356517
 H   0.98466760   2.26276911  -0.26449233
 O  -0.55132374  -1.70002373   4.86546230
 O  -2.78150702  -0.29280213   5.13308499
 H  -0.27775707  -1.82917250   5.79871502
 H   3.40197227  -0.03704466  -1.57782300
 H   2.69838639  -1.63520237  -1.81417064
 H   2.50202359  -0.40187216  -3.07487406
 37
 Energy -1205.456420555
 C  -1.18284540   0.15667079  -1.24034057
 C  -1.19684123   0.07391124   0.21240576
 C   0.03133326   0.00358473   0.92368438
 C   1.35829012   0.09013461   0.18253664
 C   1.27078500  -0.19223923  -1.28746368
 C   0.05474004  -0.01029535  -1.97583396
 C  -2.41602884   0.04901212   0.93235017
 C  -2.43252229  -0.03098383   2.31349511
 C  -1.21928147  -0.12020799   2.99316839
 C  -0.00041489  -0.08152050   2.32168931
 C   0.02032673   0.03584067  -3.40874188
 C  -1.15081939   0.25580110  -4.09229271
 C  -2.34968497   0.41786167  -3.36834585
 C  -2.36036340   0.36804543  -1.98240467
 C   2.48741830  -0.67228209   0.90931980
 C   1.74771007   1.64004506   0.14072797
 C   2.51732176  -0.57354620  -2.00704674
 H  -3.36918877   0.07108724   0.40342307
 H  -3.36066739  -0.06244230   2.89257686
 S  -1.33072008  -0.18049422   4.84181448
 H   0.92056273  -0.15651706   2.90168668
 H   0.94408117  -0.07267754  -3.97524333
 H  -1.15386190   0.31306084  -5.18252744
 H  -3.28602685   0.59336194  -3.90465756
 H  -3.31039580   0.51341534  -1.46915582
 H   3.45631005  -0.55256448   0.40909485
 H   2.25589147  -1.74527870   0.98329695
 H   2.61926326  -0.27397469   1.92345109
 H   2.68123143   1.79471346  -0.41987962
 H   1.89952308   1.95726610   1.18322387
 H   0.94319769   2.23882915  -0.30697699
 O  -0.55501350  -1.70270504   4.87594056
 O  -2.78772135  -0.29829311   5.13369768
 H  -0.28441752  -1.83032369   5.81025092
 H   3.42302581  -0.21956356  -1.50014430
 H   2.57481405  -1.68086021  -2.01255467
 H   2.54625267  -0.24663813  -3.05223224
 37
 Energy -1205.455124098
 C  -1.18111380   0.15040836  -1.23819584
 C  -1.19553638   0.07456299   0.21587799
 C   0.03276944  -0.00523341   0.92741082
 C   1.35707295   0.07597402   0.18148295
 C   1.27143252  -0.20956376  -1.28513635
 C   0.05706218  -0.00696473  -1.97270389
 C  -2.41357702   0.06735234   0.93741318
 C  -2.43030097  -0.01243408   2.31892291
 C  -1.21898179  -0.12338108   2.99848073
 C   0.00032124  -0.09957941   2.32550213
 C   0.03155141   0.06485661  -3.40339192
 C  -1.13861271   0.28238598  -4.08961557
 C  -2.34372834   0.40859618  -3.36920910
 C  -2.35935551   0.34578605  -1.98381001
 C   2.49677774  -0.64721342   0.92710487
 C   1.72960615   1.63360557   0.07595352
 C   2.51324307  -0.58447659  -2.01926861
 H  -3.36712649   0.10601248   0.41018276
 H  -3.35908238  -0.02942275   2.89758673
 S  -1.33642041  -0.18320913   4.84907364
 H   0.92013541  -0.19123554   2.90467876
 H   0.96023541  -0.02622724  -3.96529261
 H  -1.13723658   0.35964417  -5.17863964
 H  -3.28131798   0.57011866  -3.90770080
 H  -3.31451945   0.46823722  -1.47421201
 H   3.46390352  -0.53386279   0.42229085
 H   2.27824990  -1.71961394   1.03866423
 H   2.62641433  -0.21151491   1.92619504
 H   2.62027531   1.78729508  -0.55084142
 H   1.95236834   1.97216043   1.09908382
 H   0.88786951   2.21188179  -0.32695218
 O  -0.55758457  -1.70380029   4.88653931
 O  -2.79393360  -0.30334884   5.13724968
 H  -0.28996465  -1.83020330   5.82183394
 H   3.42609679  -0.36769018  -1.45507303
 H   2.49040297  -1.68010437  -2.18423540
 H   2.59179342  -0.11857489  -3.00960296
 37
 Energy -1205.45311105
 C  -1.17895770   0.15013861  -1.23473553
 C  -1.19513022   0.07582331   0.22039553
 C   0.03285069  -0.01467903   0.93216660
 C   1.35388737   0.05660255   0.18172418
 C   1.27230734  -0.22279156  -1.28148366
 C   0.06016114   0.00402705  -1.96798141
 C  -2.41234372   0.08147214   0.94277747
 C  -2.42942935   0.00075237   2.32469512
 C  -1.22005517  -0.12720206   3.00446398
 C  -0.00069408  -0.11918970   2.33018997
 C   0.04357173   0.09821122  -3.39537023
 C  -1.12710118   0.30112388  -4.08568828
 C  -2.33711618   0.39673460  -3.36970269
 C  -2.35709313   0.33079669  -1.98426643
 C   2.49910624  -0.63499458   0.94380662
 C   1.71297735   1.62033026  -0.00730813
 C   2.51654366  -0.58155517  -2.02255281
 H  -3.36569951   0.13496511   0.41652752
 H  -3.35856412  -0.00410853   2.90316327
 S  -1.34162313  -0.18437992   4.85696053
 H   0.91767985  -0.22631183   2.90875952
 H   0.97727162   0.02592989  -3.95197758
 H  -1.12218151   0.38766053  -5.17396041
 H  -3.27584254   0.53977640  -3.91133189
 H  -3.31653261   0.43434540  -1.47846559
 H   3.46443921  -0.54045332   0.43208114
 H   2.28148785  -1.70293168   1.09421468
 H   2.63176300  -0.16377763   1.92653615
 H   2.51931399   1.77080900  -0.73983506
 H   2.06180001   1.97814996   0.97349044
 H   0.82269505   2.18209683  -0.31630130
 O  -0.55923817  -1.70375392   4.89330636
 O  -2.79967966  -0.30711200   5.14132288
 H  -0.29475909  -1.83232516   5.82916791
 H   3.42460408  -0.43814285  -1.42920568
 H   2.46230727  -1.65706940  -2.28060703
 H   2.62526289  -0.03652427  -2.96974659
 37
 Energy -1205.449736761
 C  -1.17734293   0.15430449  -1.23186194
 C  -1.19578866   0.07536811   0.22419831
 C   0.03108145  -0.02694490   0.93705984
 C   1.34898252   0.02827841   0.18595005
 C   1.27611339  -0.21975072  -1.27338090
 C   0.06334811   0.02597987  -1.96060607
 C  -2.41195819   0.09046147   0.94677750
 C  -2.42948836   0.00740866   2.32898927
 C  -1.22203926  -0.12941527   3.01035082
 C  -0.00356484  -0.13660076   2.33563022
 C   0.05352834   0.12732832  -3.38382655
 C  -1.11859397   0.30757528  -4.08007164
 C  -2.33206529   0.38816577  -3.37043218
 C  -2.35537944   0.32274248  -1.98476281
 C   2.49864243  -0.63768431   0.96036403
 C   1.69933990   1.60498388  -0.10190459
 C   2.52435888  -0.56617229  -2.01647358
 H  -3.36471331   0.15768089   0.42099248
 H  -3.35888598   0.01089001   2.90713550
 S  -1.34492210  -0.18382465   4.86406947
 H   0.91331663  -0.25453617   2.91426201
 H   0.99016286   0.06569950  -3.93698571
 H  -1.10992627   0.38790425  -5.16881362
 H  -3.27064765   0.51645620  -3.91594042
 H  -3.31781456   0.41096076  -1.48167496
 H   3.46310672  -0.55739495   0.44494507
 H   2.28052258  -1.70185328   1.13592223
 H   2.63095502  -0.14390964   1.93209453
 H   2.40646524   1.74910275  -0.93122216
 H   2.17654306   1.97245910   0.81952583
 H   0.77351094   2.15540386  -0.30537702
 O  -0.55981313  -1.70342886   4.89560615
 O  -2.80377188  -0.30942551   5.14326671
 H  -0.29869829  -1.83634102   5.83172959
 H   3.42761744  -0.45814170  -1.40903796
 H   2.45608091  -1.62907492  -2.31706648
 H   2.64936804   0.01563062  -2.93976338
 37
 Energy -1205.444653445
 C  -1.17607154   0.15819375  -1.23221536
 C  -1.19680322   0.07366636   0.22546212
 C   0.02723212  -0.04177178   0.94178739
 C   1.33816742  -0.02209642   0.19654697
 C   1.28654527  -0.19155938  -1.25622445
 C   0.06513820   0.05188631  -1.95219388
 C  -2.41103676   0.09629326   0.94837534
 C  -2.42895378   0.00984407   2.33076745
 C  -1.22371473  -0.12942663   3.01582361
 C  -0.00716514  -0.14875042   2.34240796
 C   0.06015354   0.14616288  -3.37048495
 C  -1.11436842   0.30736189  -4.07336773
 C  -2.33009747   0.38463719  -3.37213343
 C  -2.35497361   0.31794860  -1.98643289
 C   2.49918461  -0.64929174   0.97618795
 C   1.69145626   1.60225765  -0.20178687
 C   2.53192141  -0.54737803  -2.00479656
 H  -3.36324940   0.17528356   0.42336745
 H  -3.35899074   0.01725324   2.90818855
 S  -1.34649343  -0.18276555   4.86909040
 H   0.90836982  -0.27337427   2.92170101
 H   0.99762717   0.08659217  -3.92257990
 H  -1.10003748   0.37564384  -5.16283894
 H  -3.26746561   0.50565121  -3.92099434
 H  -3.31873134   0.39450758  -1.48382573
 H   3.45956163  -0.56878612   0.45444030
 H   2.29294738  -1.71366945   1.16717344
 H   2.62690343  -0.14340241   1.94233288
 H   2.33052988   1.75218666  -1.08253263
 H   2.25075268   1.93746511   0.68471114
 H   0.74499057   2.14000682  -0.31686533
 O  -0.55974730  -1.70337907   4.89606011
 O  -2.80615287  -0.31079743   5.14346329
 H  -0.30200427  -1.84009213   5.83252064
 H   3.43790830  -0.46571875  -1.39729174
 H   2.43868058  -1.60325258  -2.31988126
 H   2.66717495   0.04881933  -2.91702256
 37
 Energy -1205.438571796
 C  -1.17490506   0.16054874  -1.23473407
 C  -1.19744286   0.07202731   0.22471404
 C   0.02380585  -0.05604379   0.94598941
 C   1.32091339  -0.09059688   0.21380115
 C   1.30300723  -0.14319260  -1.23066397
 C   0.06501939   0.07311056  -1.94523155
 C  -2.40952637   0.10003895   0.94828508
 C  -2.42782973   0.01056195   2.33091909
 C  -1.22450984  -0.12864778   3.02049143
 C  -0.01038674  -0.15624485   2.34962889
 C   0.06428617   0.15590392  -3.35860542
 C  -1.11325322   0.30597033  -4.06724687
 C  -2.33027495   0.38366412  -3.37411732
 C  -2.35556324   0.31492395  -1.98854581
 C   2.49936114  -0.66180666   0.98940825
 C   1.68960713   1.61223101  -0.29882491
 C   2.53729293  -0.53242116  -1.99260860
 H  -3.36101297   0.18653165   0.42334279
 H  -3.35865772   0.01937328   2.90732317
 S  -1.34719288  -0.18209601   4.87206636
 H   0.90490693  -0.28399406   2.92861865
 H   1.00101015   0.09514760  -3.91198912
 H  -1.09376114   0.36420920  -5.15741132
 H  -3.26639976   0.50135477  -3.92548140
 H  -3.31991163   0.38389348  -1.48578418
 H   3.45112342  -0.57122672   0.45504766
 H   2.31536931  -1.72952602   1.18919646
 H   2.62171346  -0.15085901   1.95339365
 H   2.30156883   1.80052909  -1.19078823
 H   2.28343634   1.86705442   0.59014318
 H   0.73065149   2.13516032  -0.34097984
 O  -0.55958651  -1.70334187   4.89613017
 O  -2.80741789  -0.31146693   5.14320689
 H  -0.30436314  -1.84262771   5.83283822
 H   3.45257882  -0.47122184  -1.39653450
 H   2.41308624  -1.58307135  -2.31004061
 H   2.67777683   0.06877721  -2.90051649
 37
 Energy -1205.435738447
 C  -1.17407733   0.16221974  -1.23702710
 C  -1.19803559   0.07062811   0.22281435
 C   0.02270336  -0.07022351   0.94960066
 C   1.30124356  -0.16028262   0.23489788
 C   1.32210066  -0.08340989  -1.20165328
 C   0.06468412   0.08928674  -1.93941421
 C  -2.40825529   0.10289821   0.94751339
 C  -2.42679513   0.01086491   2.33034927
 C  -1.22461335  -0.12800178   3.02465558
 C  -0.01326283  -0.16220444   2.35715046
 C   0.06743697   0.16179567  -3.34856611
 C  -1.11280293   0.30479557  -4.06184393
 C  -2.33115350   0.38332986  -3.37529470
 C  -2.35675477   0.31260299  -1.99028230
 C   2.49788637  -0.67331347   1.00083381
 C   1.69050449   1.62063282  -0.39190931
 C   2.54058856  -0.52091233  -1.98054588
 H  -3.35914359   0.19462799   0.42268806
 H  -3.35839766   0.01997798   2.90610173
 S  -1.34767390  -0.18177510   4.87433197
 H   0.90177126  -0.29104470   2.93638131
 H   1.00392671   0.10100510  -3.90242958
 H  -1.08872836   0.35668799  -5.15239944
 H  -3.26596291   0.49994534  -3.92857100
 H  -3.32144801   0.37673017  -1.48726021
 H   3.43964345  -0.56933785   0.45290813
 H   2.33926565  -1.74537307   1.20624209
 H   2.61505010  -0.16218799   1.96542230
 H   2.29350218   1.88162759  -1.27175647
 H   2.29519527   1.78340297   0.50996849
 H   0.72679072   2.13445422  -0.36527256
 O  -0.55961206  -1.70319274   4.89631545
 O  -2.80830682  -0.31186214   5.14280350
 H  -0.30755273  -1.84532041   5.83353156
 H   3.46655991  -0.47494611  -1.39874485
 H   2.38821133  -1.56694751  -2.29570186
 H   2.68551208   0.08282166  -2.88583717
 37
 Energy -1205.438530321
 C  -1.17368528   0.16366394  -1.23835015
 C  -1.19900263   0.06933354   0.21987589
 C   0.02328031  -0.08702239   0.95286768
 C   1.28196862  -0.22272713   0.25672368
 C   1.34140297  -0.01650346  -1.17282376
 C   0.06601185   0.10274831  -1.93344424
 C  -2.40748371   0.10583050   0.94636557
 C  -2.42600817   0.01121136   2.32914185
 C  -1.22422653  -0.12756760   3.02885418
 C  -0.01627467  -0.16909224   2.36544012
 C   0.07059180   0.16702897  -3.33931728
 C  -1.11204562   0.30370241  -4.05662542
 C  -2.33212608   0.38292153  -3.37577931
 C  -2.35847752   0.31011995  -1.99154747
 C   2.49454756  -0.68594778   1.01148673
 C   1.69285833   1.62175495  -0.48551465
 C   2.54199389  -0.51028923  -1.96795326
 H  -3.35834267   0.20311379   0.42275259
 H  -3.35831845   0.02077148   2.90445307
 S  -1.34813730  -0.18158564   4.87680929
 H   0.89898779  -0.29738673   2.94442681
 H   1.00707600   0.10756819  -3.89320902
 H  -1.08408003   0.35023963  -5.14751014
 H  -3.26562945   0.49886263  -3.93094478
 H  -3.32366936   0.36986734  -1.48870648
 H   3.42613403  -0.56582135   0.45073272
 H   2.36396334  -1.76270399   1.22020831
 H   2.60733388  -0.17713076   1.97803172
 H   2.28362693   1.97405881  -1.34285714
 H   2.30603893   1.71309769   0.42054541
 H   0.73294019   2.13578837  -0.38935633
 O  -0.55982577  -1.70282926   4.89662526
 O  -2.80924910  -0.31211688   5.14212512
 H  -0.30965923  -1.84756875   5.83407884
 H   3.47824615  -0.47596473  -1.40057517
 H   2.36448547  -1.55248969  -2.27792963
 H   2.69184874   0.09341693  -2.87237378
 37
 Energy -1205.444375245
 C  -1.17334018   0.16516607  -1.23843294
 C  -1.20041859   0.06722827   0.21679985
 C   0.02362121  -0.10925351   0.95636100
 C   1.26568904  -0.27299962   0.27605572
 C   1.35841951   0.04914172  -1.14827145
 C   0.06969052   0.11633602  -1.92656288
 C  -2.40738499   0.10979482   0.94510475
 C  -2.42568397   0.01219610   2.32755712
 C  -1.22419966  -0.12747775   3.03357469
 C  -0.01994208  -0.18034708   2.37458504
 C   0.07423190   0.17380297  -3.32984229
 C  -1.11025788   0.30256922  -4.05070656
 C  -2.33302414   0.38170463  -3.37563715
 C  -2.36041539   0.30657998  -1.99222868
 C   2.48918421  -0.70217381   1.02186140
 C   1.69854882   1.62219809  -0.58337246
 C   2.54176649  -0.49893720  -1.95357842
 H  -3.35801735   0.21510057   0.42283888
 H  -3.35870570   0.02375203   2.90217288
 S  -1.34888207  -0.18132591   4.88022558
 H   0.89610545  -0.30683553   2.95252615
 H   1.01076623   0.11699441  -3.88389825
 H  -1.07921601   0.34245224  -5.14203308
 H  -3.26512592   0.49524331  -3.93345046
 H  -3.32657265   0.35980415  -1.49033800
 H   3.41184198  -0.56153267   0.45143428
 H   2.38914147  -1.78371732   1.22927116
 H   2.59703706  -0.19794404   1.99159757
 H   2.25223725   2.05265567  -1.43151402
 H   2.34001466   1.67916988   0.30640658
 H   0.75041754   2.14199036  -0.41249764
 O  -0.56030151  -1.70210104   4.89720506
 O  -2.81064790  -0.31243838   5.14126023
 H  -0.30918055  -1.84883672   5.83419352
 H   3.48684388  -0.47303280  -1.39924199
 H   2.34217613  -1.53876143  -2.25502238
 H   2.69697413   0.09982383  -2.86057025
 37
 Energy -1205.449148489
 C  -1.17271672   0.16652254  -1.23642487
 C  -1.20202083   0.06317446   0.21585387
 C   0.02230052  -0.13644110   0.96006866
 C   1.25637821  -0.30126711   0.28891954
 C   1.36942738   0.09658679  -1.13265324
 C   0.07385488   0.13040486  -1.91869066
 C  -2.40794516   0.11595011   0.94502987
 C  -2.42666989   0.01552494   2.32710992
 C  -1.22619176  -0.12936203   3.03878769
 C  -0.02517130  -0.20098949   2.38319662
 C   0.07882575   0.18515810  -3.31966153
 C  -1.10673413   0.30258531  -4.04357846
 C  -2.33279868   0.37799671  -3.37430125
 C  -2.36173158   0.30065746  -1.99153042
 C   2.48213876  -0.72151340   1.03078225
 C   1.71145928   1.63621378  -0.68232943
 C   2.54147955  -0.48950556  -1.93698704
 H  -3.35780889   0.23411535   0.42427249
 H  -3.36055535   0.03321130   2.90054354
 S  -1.35091185  -0.18108172   4.88515100
 H   0.89019257  -0.32912569   2.96161532
 H   1.01627447   0.13419483  -3.87271196
 H  -1.07208900   0.33622505  -5.13506585
 H  -3.26358348   0.48597768  -3.93513015
 H  -3.32885438   0.34375065  -1.49038867
 H   3.40257910  -0.55516886   0.46372578
 H   2.40583568  -1.80863064   1.22304178
 H   2.57933231  -0.23364475   2.01029494
 H   2.18079812   2.09810823  -1.56444098
 H   2.42271981   1.69433542   0.15378197
 H   0.78433641   2.15963851  -0.42138714
 O  -0.56119267  -1.70091915   4.89934201
 O  -2.81349041  -0.31318092   5.14104321
 H  -0.30883579  -1.84991774   5.83577508
 H   3.49054099  -0.46289800  -1.38847340
 H   2.32997570  -1.53065134  -2.22361259
 H   2.70142374   0.09772001  -2.85055640
 37
 Energy -1205.452181953
 C  -1.17193367   0.16653168  -1.23217153
 C  -1.20333701   0.05901201   0.21827102
 C   0.02038585  -0.15924343   0.96306845
 C   1.25451006  -0.30322074   0.29542612
 C   1.37563277   0.12328768  -1.12588771
 C   0.07644496   0.14188873  -1.91109793
 C  -2.40869365   0.12545996   0.94734113
 C  -2.42906211   0.02393231   2.32915998
 C  -1.23051545  -0.13705711   3.04311937
 C  -0.03196990  -0.23203096   2.38882005
 C   0.08354040   0.20271682  -3.31048578
 C  -1.10200198   0.30673037  -4.03672953
 C  -2.33102102   0.36952432  -3.37134434
 C  -2.36190178   0.29049384  -1.98914203
 C   2.47647767  -0.73560345   1.03387783
 C   1.73127752   1.66133788  -0.77427999
 C   2.54246573  -0.49033265  -1.92108574
 H  -3.35665440   0.26025501   0.42720069
 H  -3.36326871   0.05510941   2.90147743
 S  -1.35559017  -0.18175784   4.89057466
 H   0.88070544  -0.37099357   2.96856409
 H   1.02247146   0.16224605  -3.86198861
 H  -1.06509617   0.33834794  -5.12828210
 H  -3.26126776   0.46676288  -3.93499161
 H  -3.33037085   0.32022777  -1.48963991
 H   3.40142214  -0.53292441   0.48573153
 H   2.41611235  -1.83174427   1.17873506
 H   2.55596531  -0.29059380   2.03478347
 H   2.07483402   2.11644915  -1.71567649
 H   2.53998777   1.73494168  -0.03279782
 H   0.84043295   2.18736765  -0.40892621
 O  -0.56262914  -1.69962216   4.90599371
 O  -2.81873159  -0.31489354   5.14311089
 H  -0.30963372  -1.84868442   5.84226879
 H   3.49246553  -0.44961450  -1.37476992
 H   2.33009821  -1.53769189  -2.18275658
 H   2.70303141   0.07521573  -2.84793108
 37
 Energy -1205.453981808
 C  -1.17080521   0.16391017  -1.22781937
 C  -1.20316530   0.05858031   0.22187618
 C   0.02029642  -0.17126935   0.96580573
 C   1.25643690  -0.29007030   0.29961312
 C   1.38104259   0.14194356  -1.12426262
 C   0.07807589   0.15167286  -1.90548792
 C  -2.40796163   0.14034020   0.95063502
 C  -2.43091076   0.03709899   2.33215740
 C  -1.23572044  -0.15102001   3.04644256
 C  -0.03883871  -0.26450966   2.39237540
 C   0.08671732   0.22580081  -3.30365670
 C  -1.09862325   0.31678361  -4.03120922
 C  -2.32988680   0.35586839  -3.36773138
 C  -2.36179387   0.27370089  -1.98611498
 C   2.47809164  -0.73502211   1.02825715
 C   1.75519528   1.68152650  -0.85388737
 C   2.54016304  -0.50770717  -1.90718298
 H  -3.35299947   0.29353549   0.43031802
 H  -3.36499095   0.08588596   2.90344639
 S  -1.36341000  -0.18493252   4.89521432
 H   0.86946646  -0.42150265   2.97400958
 H   1.02737138   0.20279183  -3.85344115
 H  -1.06045976   0.35458100  -5.12251587
 H  -3.26052202   0.43865066  -3.93295850
 H  -3.33136383   0.28618381  -1.48801924
 H   3.40527724  -0.45451523   0.51813233
 H   2.45779857  -1.84210483   1.07273094
 H   2.52449099  -0.37846300   2.06483191
 H   1.98402344   2.12074049  -1.83647804
 H   2.64216883   1.76685447  -0.20927765
 H   0.91089902   2.21745991  -0.40086926
 O  -0.56533889  -1.69952511   4.92036089
 O  -2.82661916  -0.31826331   5.14704156
 H  -0.31135530  -1.84232412   5.85733830
 H   3.49272369  -0.44994439  -1.36663006
 H   2.32284201  -1.56292531  -2.12990746
 H   2.69856013   0.02334399  -2.85429393
 37
 Energy -1205.455165348
 C  -1.16939036   0.16016874  -1.22475807
 C  -1.20087712   0.06126062   0.22492912
 C   0.02260441  -0.17559778   0.96904779
 C   1.25951152  -0.27429853   0.30294037
 C   1.38483506   0.15486935  -1.12486627
 C   0.07896822   0.16174568  -1.90221362
 C  -2.40459113   0.15854633   0.95332720
 C  -2.43058127   0.05007775   2.33437793
 C  -1.23960069  -0.16335537   3.04946455
 C  -0.04299900  -0.28537634   2.39609399
 C   0.08757527   0.25178483  -3.29931087
 C  -1.09816649   0.33061852  -4.02695188
 C  -2.33082321   0.33941098  -3.36432667
 C  -2.36222564   0.25135542  -1.98334521
 C   2.48855001  -0.72074982   1.01494181
 C   1.78116699   1.69178337  -0.91494282
 C   2.53024959  -0.53870304  -1.89460513
 H  -3.34636000   0.33003723   0.43277041
 H  -3.36473669   0.11270784   2.90417269
 S  -1.37272963  -0.19015009   4.89955853
 H   0.86188301  -0.45387638   2.97947012
 H   1.02940478   0.24988331  -3.84798775
 H  -1.05993687   0.37993335  -5.11781748
 H  -3.26231934   0.40584997  -3.93029260
 H  -3.33211442   0.24218556  -1.48582037
 H   3.40368817  -0.30465106   0.57673565
 H   2.55855918  -1.82120407   0.89921883
 H   2.48445658  -0.51183952   2.09020438
 H   1.95146026   2.11141129  -1.91749261
 H   2.70539779   1.78177863  -0.32579971
 H   0.97063267   2.24665684  -0.42353908
 O  -0.57039608  -1.70141948   4.93845732
 O  -2.83628843  -0.32397120   5.14887659
 H  -0.31555341  -1.83446872   5.87663391
 H   3.48553904  -0.47766881  -1.35897906
 H   2.29486898  -1.59725725  -2.08055722
 H   2.69106299  -0.04359702  -2.86041578
 37
 Energy -1205.455973208
 C  -1.16823536   0.15474185  -1.22180428
 C  -1.19717339   0.06410530   0.22808966
 C   0.02705788  -0.17450398   0.97257963
 C   1.26293356  -0.26039296   0.30495295
 C   1.38738018   0.16355475  -1.12671554
 C   0.07899167   0.17327665  -1.89983801
 C  -2.39941984   0.17465634   0.95644226
 C  -2.42724358   0.06161729   2.33701097
 C  -1.23924973  -0.16715393   3.05318735
 C  -0.04202007  -0.29128759   2.40075853
 C   0.08622973   0.28185951  -3.29569028
 C  -1.10050536   0.34726447  -4.02247028
 C  -2.33343429   0.32021332  -3.36006022
 C  -2.36326301   0.22418905  -1.97980403
 C   2.50198969  -0.70279264   0.99996639
 C   1.81008773   1.69446238  -0.96418905
 C   2.51472713  -0.57570435  -1.88425293
 H  -3.33850019   0.35973987   0.43563047
 H  -3.36149193   0.13141453   2.90586037
 S  -1.38291250  -0.19607239   4.90467804
 H   0.86199727  -0.46179229   2.98481835
 H   1.02869469   0.30413531  -3.84337069
 H  -1.06351160   0.41109582  -5.11261769
 H  -3.26606437   0.36808329  -3.92600460
 H  -3.33266425   0.18978434  -1.48229296
 H   3.38586225  -0.14199225   0.66426484
 H   2.68538280  -1.75835099   0.71664596
 H   2.45014038  -0.66359367   2.09200023
 H   1.96019322   2.09279669  -1.97834364
 H   2.75018838   1.78344783  -0.40065230
 H   1.02146874   2.27337152  -0.46428306
 O  -0.57864259  -1.70505326   4.95262135
 O  -2.84785070  -0.33268665   5.14466480
 H  -0.32705570  -1.83331765   5.89234697
 H   3.47251066  -0.51740558  -1.35235346
 H   2.25546122  -1.63418578  -2.03667809
 H   2.67913896  -0.11503603  -2.86624124
 37
 Energy -1205.456304925
 C  -1.16709056   0.14603185  -1.21809194
 C  -1.19234254   0.06520481   0.23187667
 C   0.03384523  -0.16561888   0.97653538
 C   1.26839771  -0.24372641   0.30672693
 C   1.39031320   0.16873278  -1.13028376
 C   0.07830570   0.18746678  -1.89715248
 C  -2.39369189   0.18336516   0.96008319
 C  -2.42154508   0.07073844   2.34031009
 C  -1.23463822  -0.16266220   3.05736552
 C  -0.03609365  -0.28316575   2.40615427
 C   0.08154949   0.32042785  -3.29115250
 C  -1.10677705   0.37015308  -4.01586153
 C  -2.33838116   0.29816652  -3.35347961
 C  -2.36473155   0.19016301  -1.97429491
 C   2.51386250  -0.67662804   0.99642587
 C   1.85013952   1.68901362  -1.01018458
 C   2.49194606  -0.61989100  -1.88004190
 H  -3.33157344   0.37340785   0.43884791
 H  -3.35570173   0.14232459   2.90912871
 S  -1.39372280  -0.20352580   4.90951517
 H   0.86853944  -0.45110587   2.99015086
 H   1.02319093   0.37326079  -3.83873037
 H  -1.07259732   0.45361869  -5.10477624
 H  -3.27219090   0.32465203  -3.91888853
 H  -3.33202676   0.12509142  -1.47567086
 H   3.37795812  -0.06157058   0.70343511
 H   2.74695538  -1.70527102   0.65844747
 H   2.44677606  -0.69870636   2.08777341
 H   1.98910094   2.06565948  -2.03402243
 H   2.80301168   1.76829343  -0.46715643
 H   1.08543446   2.29687309  -0.50699801
 O  -0.58978305  -1.71187140   4.95692602
 O  -2.86103033  -0.34420912   5.13339489
 H  -0.34622249  -1.84475398   5.89812972
 H   3.45902380  -0.55685243  -1.36542807
 H   2.21058055  -1.67839959  -1.98631770
 H   2.64488694  -0.20215721  -2.88273447
 37
 Energy -1205.456462735
 C  -1.16664743   0.14022083  -1.21469455
 C  -1.18937975   0.06423721   0.23500420
 C   0.03951462  -0.14941617   0.98066680
 C   1.27402184  -0.21913396   0.31053384
 C   1.39256066   0.16900557  -1.13393702
 C   0.07723154   0.19988587  -1.89419893
 C  -2.39180142   0.17713863   0.96228186
 C  -2.41944376   0.06704721   2.34226353
 C  -1.23152883  -0.15852888   3.06035830
 C  -0.03075901  -0.26569303   2.41107945
 C   0.07701665   0.35204707  -3.28655041
 C  -1.11216319   0.39240455  -4.00972822
 C  -2.34207358   0.28712124  -3.34783531
 C  -2.36576410   0.16768288  -1.96981048
 C   2.52486877  -0.62976602   1.00566112
 C   1.89627683   1.67527382  -1.05405327
 C   2.46183960  -0.67427202  -1.87552290
 H  -3.33032012   0.36081564   0.43997624
 H  -3.35403967   0.13313728   2.91111241
 S  -1.40042850  -0.21249393   4.91217711
 H   0.87503569  -0.42600933   2.99555054
 H   1.01778896   0.42759141  -3.83357805
 H  -1.08049969   0.49273105  -5.09728451
 H  -3.27635943   0.30006306  -3.91293013
 H  -3.33123959   0.08110774  -1.47093734
 H   3.39217018  -0.04256770   0.67048456
 H   2.73963822  -1.67919012   0.72355952
 H   2.47149859  -0.59117080   2.09762872
 H   2.03049257   2.02865771  -2.08670833
 H   2.85889818   1.74017916  -0.52685214
 H   1.15658819   2.31519156  -0.55280722
 O  -0.60157625  -1.72347083   4.95170079
 O  -2.86963864  -0.35193350   5.12518348
 H  -0.36692808  -1.86666843   5.89368613
 H   3.43893524  -0.62012410  -1.37898650
 H   2.14991205  -1.72748811  -1.94062569
 H   2.60546079  -0.29515839  -2.89475446
 37
 Energy -1205.456612503
 C  -1.16719553   0.14210827  -1.21258901
 C  -1.18935930   0.06388010   0.23674649
 C   0.04197808  -0.13116831   0.98386098
 C   1.27758696  -0.19048265   0.31548513
 C   1.39347449   0.16652753  -1.13688500
 C   0.07617773   0.20666445  -1.89222205
 C  -2.39404518   0.16046374   0.96313918
 C  -2.42138773   0.05066479   2.34283430
 C  -1.23134286  -0.16052034   3.06203929
 C  -0.02844523  -0.24917773   2.41439146
 C   0.07542951   0.36497654  -3.28414254
 C  -1.11356962   0.40591701  -4.00702844
 C  -2.34313031   0.29311856  -3.34516200
 C  -2.36656915   0.16854988  -1.96782261
 C   2.53396822  -0.56868222   1.02113239
 C   1.93730149   1.65831496  -1.10082829
 C   2.43158803  -0.73049596  -1.86389798
 H  -3.33466307   0.33066718   0.44016885
 H  -3.35683776   0.10540151   2.91160359
 S  -1.40259622  -0.22186341   4.91363235
 H   0.87879417  -0.40093730   2.99907207
 H   1.01652664   0.44610193  -3.83027325
 H  -1.08266712   0.51306137  -5.09395115
 H  -3.27749240   0.30560380  -3.91015101
 H  -3.33204095   0.07848184  -1.46968837
 H   3.40590250  -0.02723154   0.62896923
 H   2.72336227  -1.64256436   0.82535922
 H   2.49788026  -0.43916977   2.10735712
 H   2.06877886   1.98465019  -2.14260893
 H   2.90720583   1.71214591  -0.58619387
 H   1.22039698   2.32960251  -0.60725603
 O  -0.61080235  -1.73658648   4.94640264
 O  -2.87245688  -0.35710454   5.12474426
 H  -0.37572696  -1.88467201   5.88751277
 H   3.41454510  -0.69284409  -1.37746158
 H   2.08619043  -1.77468432  -1.89557071
 H   2.57426270  -0.38473402  -2.89515534
 37
 Energy -1205.456760079
 C  -1.16827125   0.14879121  -1.21111538
 C  -1.19023569   0.06562505   0.23783281
 C   0.04298244  -0.11372555   0.98596268
 C   1.27980552  -0.16192336   0.31976866
 C   1.39367273   0.16287188  -1.13971724
 C   0.07500722   0.21027420  -1.89121243
 C  -2.39678109   0.14386903   0.96394363
 C  -2.42323514   0.03224339   2.34322615
 C  -1.23099264  -0.16498099   3.06318483
 C  -0.02663903  -0.23544181   2.41644807
 C   0.07452560   0.36728975  -3.28345406
 C  -1.11410566   0.41344893  -4.00611539
 C  -2.34404230   0.30628170  -3.34356202
 C  -2.36776899   0.18113722  -1.96644547
 C   2.54059383  -0.50412270   1.03847469
 C   1.97383636   1.63941741  -1.14751007
 C   2.40279795  -0.78401962  -1.84825925
 H  -3.33989730   0.29992475   0.44119182
 H  -3.35933635   0.07447988   2.91213917
 S  -1.40347691  -0.23166449   4.91475414
 H   0.88236992  -0.38078789   3.00029961
 H   1.01632899   0.44513325  -3.82921620
 H  -1.08327904   0.52161683  -5.09293282
 H  -3.27854936   0.32404542  -3.90816790
 H  -3.33387109   0.09686512  -1.46866106
 H   3.41814445  -0.02234811   0.58829273
 H   2.70097497  -1.59656146   0.94731837
 H   2.52180648  -0.26899873   2.10816324
 H   2.10337137   1.93796775  -2.19772379
 H   2.94948688   1.68393115  -0.64331087
 H   1.27794360   2.34013195  -0.66458443
 O  -0.61573741  -1.74851470   4.94319869
 O  -2.87372255  -0.36455254   5.12529602
 H  -0.38061970  -1.89960688   5.88383095
 H   3.39001462  -0.76059791  -1.36958734
 H   2.02776986  -1.81830222  -1.84728858
 H   2.54462609  -0.47086311  -2.89009696
 37
 Energy -1205.456903762
 C  -1.16946501   0.15562823  -1.21005977
 C  -1.19151363   0.06746910   0.23847000
 C   0.04305921  -0.09842729   0.98707814
 C   1.28099436  -0.13458918   0.32332354
 C   1.39352307   0.15965038  -1.14196338
 C   0.07388824   0.21294399  -1.89054676
 C  -2.39929090   0.12939986   0.96472099
 C  -2.42415448   0.01592015   2.34361235
 C  -1.22977730  -0.16953198   3.06386437
 C  -0.02463639  -0.22408012   2.41742513
 C   0.07397188   0.36608722  -3.28330426
 C  -1.11425937   0.41790309  -4.00585481
 C  -2.34469741   0.31985401  -3.34249232
 C  -2.36895406   0.19554572  -1.96539539
 C   2.54475545  -0.43777213   1.05722799
 C   2.00776686   1.61953334  -1.19103495
 C   2.37423192  -0.83420702  -1.83011924
 H  -3.34447610   0.27308144   0.44225616
 H  -3.36040937   0.04711102   2.91311904
 S  -1.40315519  -0.24163684   4.91543366
 H   0.88663332  -0.36472832   2.99938554
 H   1.01659790   0.43841505  -3.82873348
 H  -1.08331333   0.52507755  -5.09277252
 H  -3.27928668   0.34413817  -3.90672109
 H  -3.33571133   0.11949325  -1.46773727
 H   3.42872973  -0.03151122   0.55128688
 H   2.67230239  -1.53755974   1.09037990
 H   2.54335351  -0.08294784   2.09488965
 H   2.14379738   1.88841108  -2.24836034
 H   2.98403293   1.65784047  -0.68783399
 H   1.32782971   2.34835130  -0.72704698
 O  -0.62007308  -1.76079897   4.93894953
 O  -2.87371257  -0.37102122   5.12526767
 H  -0.38704064  -1.91688215   5.87929625
 H   3.36340541  -0.82802321  -1.35489400
 H   1.96925338  -1.85666191  -1.80218024
 H   2.51896731  -0.54994480  -2.87998966
 37
 Energy -1205.457078138
 C  -1.17085594   0.16221202  -1.20954679
 C  -1.19348455   0.06823112   0.23846233
 C   0.04207752  -0.08540494   0.98736981
 C   1.28124437  -0.10802250   0.32654852
 C   1.39335704   0.15800946  -1.14334455
 C   0.07297380   0.21663746  -1.88969762
 C  -2.40207367   0.11479903   0.96510607
 C  -2.42480116  -0.00002103   2.34371661
 C  -1.22833410  -0.17420753   3.06408804
 C  -0.02287250  -0.21458177   2.41753865
 C   0.07384693   0.36550332  -3.28298076
 C  -1.11381408   0.42173198  -4.00589902
 C  -2.34491473   0.33190098  -3.34231562
 C  -2.37004147   0.20853649  -1.96526045
 C   2.54633781  -0.37012446   1.07694553
 C   2.04249205   1.59859179  -1.23208663
 C   2.34535434  -0.88074672  -1.80988997
 H  -3.34939790   0.24661903   0.44343805
 H  -3.36090624   0.02084606   2.91409305
 S  -1.40191071  -0.25141431   4.91566566
 H   0.89118743  -0.35030381   2.99685881
 H   1.01725867   0.43259768  -3.82801350
 H  -1.08231173   0.52750431  -5.09292571
 H  -3.27931648   0.36164799  -3.90658944
 H  -3.33739749   0.13934680  -1.46781825
 H   3.43647271  -0.04875887   0.52491424
 H   2.64090636  -1.46075482   1.24203608
 H   2.56118519   0.10626335   2.06633812
 H   2.17569722   1.84222242  -2.29574735
 H   3.02447429   1.62437423  -0.73963951
 H   1.38524549   2.35427355  -0.77833421
 O  -0.62463662  -1.77352571   4.93406979
 O  -2.87278185  -0.37646086   5.12568973
 H  -0.39269186  -1.93402483   5.87394480
 H   3.33619289  -0.88971600  -1.33797224
 H   1.91252054  -1.89048849  -1.75498178
 H   2.49123044  -0.62528618  -2.86714836
 37
 Energy -1205.457248536
 C  -1.17232047   0.16909282  -1.20901981
 C  -1.19568529   0.06819082   0.23840670
 C   0.04078502  -0.07274205   0.98770466
 C   1.28089319  -0.08214679   0.32960976
 C   1.39300081   0.15721138  -1.14412542
 C   0.07201550   0.22208557  -1.88862830
 C  -2.40507850   0.09773472   0.96509871
 C  -2.42584540  -0.01845178   2.34347904
 C  -1.22719677  -0.17829322   3.06415677
 C  -0.02134461  -0.20309554   2.41786065
 C   0.07393924   0.36742417  -3.28228492
 C  -1.11303805   0.42759273  -4.00577884
 C  -2.34481539   0.34500931  -3.34229804
 C  -2.37104725   0.22178133  -1.96530079
 C   2.54653585  -0.30488637   1.09420578
 C   2.07922139   1.57493981  -1.27247910
 C   2.31362095  -0.92699585  -1.78732718
 H  -3.35421455   0.21637789   0.44360042
 H  -3.36182871  -0.00981734   2.91450139
 S  -1.40037430  -0.26065910   4.91573886
 H   0.89569936  -0.32984704   2.99498291
 H   1.01815007   0.43007941  -3.82674490
 H  -1.08083645   0.53237748  -5.09288767
 H  -3.27890334   0.38007204  -3.90680139
 H  -3.33899488   0.15880453  -1.46828246
 H   3.44087276  -0.06670601   0.50911101
 H   2.61264414  -1.37086259   1.38269551
 H   2.57689567   0.28051534   2.02474810
 H   2.21063392   1.79301100  -2.34178570
 H   3.06577805   1.58655921  -0.78902599
 H   1.44628651   2.35795858  -0.83043817
 O  -0.62722549  -1.78488746   4.92849019
 O  -2.87126869  -0.38368522   5.12682128
 H  -0.39726346  -1.95078433   5.86791592
 H   3.30559121  -0.95204560  -1.31819422
 H   1.85228652  -1.92209187  -1.70510033
 H   2.45983580  -0.70107156  -2.85145614
 37
 Energy -1205.457399962
 C  -1.17345502   0.17563333  -1.20838757
 C  -1.19750020   0.06698906   0.23839520
 C   0.03982762  -0.05991001   0.98839912
 C   1.28064568  -0.05591269   0.33272409
 C   1.39282649   0.15680159  -1.14465972
 C   0.07132608   0.22784879  -1.88752984
 C  -2.40764726   0.07744068   0.96473846
 C  -2.42670031  -0.03942114   2.34298308
 C  -1.22606746  -0.18178484   3.06453039
 C  -0.01993724  -0.18977435   2.41871092
 C   0.07400399   0.37033081  -3.28150747
 C  -1.11244285   0.43536619  -4.00530615
 C  -2.34471801   0.36005909  -3.34169654
 C  -2.37181768   0.23557762  -1.96487700
 C   2.54688496  -0.24046580   1.10817966
 C   2.11634770   1.54848248  -1.31462496
 C   2.28015164  -0.97301630  -1.76143308
 H  -3.35864994   0.18053609   0.44335926
 H  -3.36261333  -0.04464102   2.91433994
 S  -1.39912212  -0.26953635   4.91601367
 H   0.89978228  -0.30479284   2.99438479
 H   1.01888953   0.42836812  -3.82555405
 H  -1.07958503   0.53994157  -5.09240703
 H  -3.27856562   0.40142734  -3.90616032
 H  -3.34026381   0.17892041  -1.46807879
 H   3.44303757  -0.07288353   0.50242065
 H   2.59381244  -1.27354198   1.49879236
 H   2.58970326   0.43230490   1.97882585
 H   2.25123885   1.73653989  -2.38899915
 H   3.10470987   1.54728197  -0.83500369
 H   1.50662333   2.35989826  -0.89142468
 O  -0.62961438  -1.79561199   4.92347136
 O  -2.87016090  -0.39054680   5.12707656
 H  -0.40103028  -1.96562311   5.86251378
 H   3.27347254  -1.01185228  -1.29581984
 H   1.79142601  -1.95186802  -1.64881856
 H   2.42402169  -0.77963885  -2.83245343
 37
 Energy -1205.457502617
 C  -1.17413043   0.18327364  -1.20740412
 C  -1.19860295   0.06612402   0.23868430
 C   0.03954262  -0.04481863   0.98983263
 C   1.28079024  -0.02854984   0.33591281
 C   1.39279476   0.15656434  -1.14490594
 C   0.07087810   0.23432496  -1.88636920
 C  -2.40961057   0.05388777   0.96382023
 C  -2.42781294  -0.06379713   2.34192587
 C  -1.22557470  -0.18469443   3.06492297
 C  -0.01893429  -0.17301689   2.42039392
 C   0.07416170   0.37300847  -3.28073628
 C  -1.11190839   0.44356113  -4.00450836
 C  -2.34451808   0.37719667  -3.34049043
 C  -2.37220509   0.25153478  -1.96383017
 C   2.54794590  -0.18028852   1.11782646
 C   2.15471054   1.51840460  -1.35868413
 C   2.24433247  -1.01922134  -1.73196064
 H  -3.36186710   0.13830619   0.44140697
 H  -3.36383080  -0.08571794   2.91284022
 S  -1.39941863  -0.27718277   4.91630776
 H   0.90266541  -0.27331339   2.99601123
 H   1.01947432   0.42502652  -3.82481778
 H  -1.07880529   0.54726374  -5.09168908
 H  -3.27819223   0.42594270  -3.90465165
 H  -3.34101675   0.20242487  -1.46701528
 H   3.44404765  -0.06308767   0.50051611
 H   2.58527654  -1.18202777   1.58209268
 H   2.59863359   0.55366599   1.93837666
 H   2.28990116   1.67541375  -2.43782286
 H   3.14581589   1.50286943  -0.88533598
 H   1.57157162   2.35855749  -0.95434511
 O  -0.62949437  -1.80301051   4.91981712
 O  -2.87025314  -0.40085731   5.12657378
 H  -0.40172175  -1.97607864   5.85851913
 H   3.23848056  -1.07229635  -1.26917561
 H   1.72780771  -1.97948997  -1.58809023
 H   2.38517918  -0.85985735  -2.80921066
 37
 Energy -1205.457588472
 C  -1.17466544   0.19195245  -1.20655477
 C  -1.19962786   0.06592846   0.23876249
 C   0.03899790  -0.02824699   0.99146399
 C   1.28065542  -0.00186408   0.33903126
 C   1.39249660   0.15503052  -1.14498314
 C   0.07059492   0.23975804  -1.88541117
 C  -2.41140028   0.02873237   0.96194424
 C  -2.42939207  -0.08989808   2.33991526
 C  -1.22616800  -0.18660916   3.06497833
 C  -0.01900924  -0.15411244   2.42227679
 C   0.07442567   0.37368011  -3.28025725
 C  -1.11126083   0.45167034  -4.00383638
 C  -2.34410796   0.39754129  -3.33907690
 C  -2.37239312   0.27105389  -1.96252889
 C   2.54828507  -0.12457502   1.12572612
 C   2.19174080   1.48473832  -1.40173453
 C   2.20778040  -1.06472022  -1.69947800
 H  -3.36440508   0.09230867   0.43795405
 H  -3.36554144  -0.13071489   2.90969891
 S  -1.40120490  -0.28320245   4.91613529
 H   0.90371240  -0.23819974   2.99880364
 H   1.02007854   0.41739993  -3.82458851
 H  -1.07778802   0.55370167  -5.09116431
 H  -3.27754653   0.45589278  -3.90271677
 H  -3.34145960   0.23238747  -1.46530643
 H   3.44415708  -0.05139183   0.50144493
 H   2.57810880  -1.09494766   1.65146451
 H   2.60620936   0.65939613   1.89926263
 H   2.33009243   1.60805472  -2.48459437
 H   3.18358251   1.45612774  -0.93091800
 H   1.63417321   2.35278464  -1.02083205
 O  -0.62154337  -1.80411177   4.91761024
 O  -2.87131878  -0.41764533   5.12522407
 H  -0.39617472  -1.97859999   5.85663331
 H   3.20148861  -1.13210825  -1.23727607
 H   1.66393596  -2.00473807  -1.52581348
 H   2.34664639  -0.93929784  -2.78165986
 37
 Energy -1205.45761447
 C  -1.17502581   0.20090760  -1.20639800
 C  -1.20144914   0.06678494   0.23814814
 C   0.03672233  -0.01375816   0.99318411
 C   1.27911690   0.01810468   0.34251567
 C   1.39197245   0.15074649  -1.14374951
 C   0.07081865   0.24367295  -1.88452685
 C  -2.41412501   0.00768182   0.95833517
 C  -2.43330817  -0.11174199   2.33622822
 C  -1.23031654  -0.18556985   3.06442137
 C  -0.02240043  -0.13574126   2.42426027
 C   0.07592350   0.37350970  -3.27975099
 C  -1.10895606   0.46051192  -4.00362024
 C  -2.34228868   0.41982739  -3.33878098
 C  -2.37190079   0.29234491  -1.96235546
 C   2.54638034  -0.08352691   1.13288744
 C   2.22350581   1.45103374  -1.43433978
 C   2.17516749  -1.10462672  -1.66961683
 H  -3.36682912   0.05212546   0.43184036
 H  -3.37000091  -0.17126890   2.90343672
 S  -1.40820227  -0.28560249   4.91508162
 H   0.90015944  -0.20602118   3.00285427
 H   1.02202452   0.40810962  -3.82398756
 H  -1.07447716   0.56102026  -5.09105765
 H  -3.27505435   0.48893291  -3.90232221
 H  -3.34126662   0.26517201  -1.46496401
 H   3.44232995  -0.04525393   0.50564723
 H   2.56930135  -1.02746943   1.70402520
 H   2.61049495   0.73641154   1.86852107
 H   2.36362935   1.54696679  -2.51956560
 H   3.21582302   1.40939503  -0.96578822
 H   1.68932961   2.34179552  -1.07274128
 O  -0.59202027  -1.78743854   4.91936117
 O  -2.87528577  -0.45505022   5.11997898
 H  -0.36449594  -1.95565898   5.85900448
 H   3.16817336  -1.18467434  -1.20764895
 H   1.60834333  -2.02601794  -1.47142852
 H   2.31195471  -1.00781175  -2.75518284
