960

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N      60.29742469       9.44804853       2.09294268
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C      21.16532516      13.52725757       2.37051732
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C      65.24321186      10.73649891       1.56390095
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N      44.32720314       9.34937751       2.39458656
N      65.27719109       9.43543436       1.52204488
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C      66.63729965       9.19398557       1.18997577
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C      67.32846962       7.96101162       1.09030254
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O      69.55344027       6.97249557       0.80640231
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N      70.72535681       8.97524600       0.74701519
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N      53.52984509       2.60440421       1.66256987
N      74.42972767       2.69156931       1.24797553
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C     -34.87552629      63.57951948       1.52505194
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C     -36.91865539      64.81485334       1.86848873
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O     -24.48703740      47.59006335       0.84990172
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C     -23.25643528      46.89247860       0.87997429
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N     -33.55530785      63.82896946       1.15796421
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C     -31.12064061      67.93338330       0.42345726
C     -11.49110739      30.80763417      -0.06627539
C     -21.94382632      48.98976165       0.91981674
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C     -18.26199922      46.88291533       0.39199773
C     -28.62097777      65.12706692       0.60161442
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N     -18.24399258      45.56256479       0.36868268
N     -28.59541544      63.83136856       0.67149614
C      -6.36500055      27.22522641       2.44451585
C     -16.87686201      45.31855428       0.20491438
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O     -17.02112752      47.54731010       0.31233869
O     -27.39689389      65.75872764       0.44120230
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C     -14.80510533      46.52169535       0.00652543
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C      -3.66610988      27.23157864       2.41094569
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C     -14.86260591      44.10963905      -0.05207252
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O     -24.38921801      61.18917124       0.52474332
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C     -12.78567206      43.67662372      -0.33246842
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N     -12.83557962      44.99060315      -0.26688817
N     -23.15940100      63.13322464       0.36237474
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C     -21.87782834      61.11503012       0.48287367
C       0.28404242      25.71334722       1.90542274
C     -10.29422918      43.60199208      -0.46550771
C     -20.67529575      61.78410913       0.18800776
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C      -9.06192867      42.90020134      -0.49727690
C     -19.45370819      61.09363503       0.15257428
C       1.45406037      23.62115928       1.71142692
C      -9.10346698      41.52529314      -0.55410578
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C       0.23921209      22.90849861       1.63971298
C     -10.30318084      40.82495159      -0.67634488
C     -20.66256681      59.01792129       0.72166974
C      -0.97212252      23.61881218       1.67899943
C     -11.53799186      41.53458164      -0.57889798
C     -21.87165359      59.74010397       0.74937847
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C     -10.33820109      39.34968280      -0.75498277
C     -20.68179821      57.56701791       0.88847116
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N      -9.22959847      38.64612571       2.55990196
N     -19.58433262      56.88325611       0.79453979
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C      -9.70111931      37.33194770       2.55794176
C     -20.01319934      55.56269157       0.91813467
C      -0.52830409      19.42997811       1.66902531
C     -11.05486526      37.35655938       2.57475661
C     -21.36094818      55.56063535       1.10799282
O      -0.98478726      20.71553069       1.76177722
O     -11.53822142      38.64493187      -0.76780708
O     -21.84537242      56.84015632       1.12109083
C      -1.28373723      18.25992071       1.80053920
C     -11.78070769      36.15143642      -0.67104869
C     -22.08005488      54.34527886       1.25847884
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C      -8.93496256      36.15247571      -0.71332405
C     -19.25529345      54.39816854       0.81767923
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C      -7.77631131      43.62293214      -0.42576013
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O      27.89505500      65.69301258       2.25697669
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N      18.66983337      45.46030147       1.75630012
N       8.17059921      63.67204788       0.01131122
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N      39.47842226      45.76579006       1.32825382
N      29.10587580      63.71978886       2.31539500
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C      10.92042367      28.73337074       2.43960897
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C      11.86993754      67.07128200       0.73527142
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C      10.67170775      67.78985225       0.70976297
C      52.36464753      31.69472666       2.53159511
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C      40.83065554      49.18273218       1.24876077
C      30.37867508      67.16516076       2.22515847
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C      -7.67185533      64.83883798       1.78704437
C      34.02312271      28.96570227       0.03943034
C      23.53945454      46.90688429      -0.45724384
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N      34.18749331      63.84565966      -0.49649060
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C      25.56803376      46.56381361       0.02522432
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C      26.93226856      46.65043540       0.34054315
C      16.58935652      64.57579195       1.04771786
C      58.38365680      28.55896814       2.53673850
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C      26.94831619      44.22604357       0.38359119
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O      38.27471751      25.05036191       0.13317304
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C      18.62094729      61.78618023       1.30674776
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N      39.51258212      27.00161046       0.15675736
N      28.93493495      45.22011266       0.81601537
N      18.57409920      63.08460992       1.31067652
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N      39.65755516      63.30350211      -0.67460163
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C      19.90579227      61.06678129       1.48487872
C      61.72086453      25.01872820       2.34477557
C      51.08742274      43.13882446       2.33344476
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C      21.30876122      25.47470149       0.99137279
C      10.79114026      43.62370211       0.03407655
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C      21.10562978      61.81716933       1.54066209
C      62.95027901      25.71525437       2.15990375
C      52.29718740      43.82513853       2.09913461
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C      22.49679680      24.76921118       1.17496633
C      11.97954377      42.92069826       0.28382383
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C      43.13405302      24.87257173      -0.44400268
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C      22.32512289      61.13670837       1.71503305
C      64.15162140      25.01640205       2.01370518
C      53.48146184      43.13670622       1.79292249
C      43.39787234      61.22341430       2.54782340
C      22.49338583      23.39187606       1.01090641
C      11.99118008      41.54562286       0.12647756
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C      43.10904669      23.48116264      -0.40472621
C      32.77927478      41.82776167       1.03190232
C      22.33902966      59.75124712       1.71682350
C      64.15053459      23.59961270       2.09769449
C      53.43825309      41.72545463       1.75381399
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C      10.82875400      40.84728695      -0.21041445
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C      41.88340656      22.78536913      -0.26705727
C      31.58891503      41.13445882       0.76474775
C      21.16343680      59.01791796       1.63004357
C      62.92384743      22.88729820       2.27297987
C      52.26957409      41.02346478       1.98515244
C      42.17956408      59.13677167      -0.40541774
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C       9.62982727      41.54588500      -0.42998712
C      -0.79685542      59.57433540       1.53978486
C      40.66393875      23.51802258      -0.14274234
C      30.35580155      41.79069061       0.66409354
C      19.92450019      59.67580177       1.54038100
C      61.73091677      23.60973359       2.38271998
C      51.07855578      41.72647152       2.31227941
C      40.94518030      59.86274813      -0.42811952
C      21.24206673      21.26725514       0.52831622
C      10.88125179      39.37833970      -0.35290603
C       0.41681144      57.42833866       1.57274043
C      41.84465581      21.31524792      -0.32625065
C      31.60790221      39.64471145       0.62862082
C      21.13179970      57.52330036       1.76121971
C      62.88501394      21.41301482       2.34665204
C      52.23924959      39.53950714       1.96437649
C      42.17387929      57.67358924      -0.11874764
N      22.34237347      20.56218716       0.42745379
N      12.02178153      38.72318465      -0.36161534
N       1.49940378      56.70728561       1.65567123
N      42.93185236      20.62439191      -0.29946175
N      32.71394844      38.93847181       0.63565511
N      22.20908684      56.80337608       1.65533433
N      63.99760742      20.73657611       2.41335906
N      53.34589624      38.85721070       1.83144172
N      43.27035186      56.93473170      -0.13191955
C      21.89374409      19.25692078       0.17990540
C      11.60948711      37.37152223      -0.48803108
C       1.05067039      55.40259070       1.60720394
C      42.47296854      19.31288012      -0.36941717
C      32.22776370      37.62684631       0.46890492
C      21.73967027      55.51520051       1.82179226
C      63.52543852      19.42311967       2.46209661
C      52.89926175      37.56074439       1.87496909
C      42.76826250      55.65293633       0.18878872
C      20.53593784      19.27940782       0.18675316
C      10.26040526      37.37301687      -0.62623457
C      -0.29867716      55.42892446       1.52596624
C      41.11778305      19.32803188      -0.40792464
C      30.85534674      37.67192439       0.40656700
C      20.39140065      55.53381815       1.95497683
C      62.15145652      19.41089082       2.49640484
C      51.54492075      37.54514240       2.06361299
C      41.41984405      55.71274948       0.34606801
O      20.04525367      20.55737214       0.37617334
O       9.72565965      38.62502919      -0.56576972
O      -0.78991761      56.69726699       1.47595629
O      40.64302198      20.61002665      -0.40073752
O      30.39968911      38.93374741       0.42792816
O      19.92793136      56.82676213       1.96863570
O      61.68947075      20.69311872       2.39961240
O      51.04370944      38.81670011       2.14486347
O      40.97530069      57.01547282       0.19141246
C      19.79935794      18.10420141      -0.01943552
C       9.56407937      36.19434749       2.48217619
C      -1.08664972      54.25773693       1.60283361
C      40.35682906      18.15552658      -0.57264148
C      30.10346217      36.50352548       0.23537492
C      19.63862057      54.37329980       2.06881072
C      61.40691609      18.23637064       2.48180527
C      50.84480663      36.32627963       2.22686465
C      40.65157327      54.57784371       0.63074152
C      22.65019639      18.10010453      -0.05027443
C      12.39614837      36.19000233      -0.53754080
C       1.75587917      54.22674500       1.84266757
C      43.22125205      18.12995245      -0.48223373
C      32.98315347      36.44119042       0.38158499
C      22.48663622      54.32367539       1.83156409
C      64.27795937      18.25191277       2.49369991
C      53.68526358      36.38614742       1.91466570
C      43.50305494      54.47893102       0.33185627
C      23.77039014      25.49884393       1.39730224
C      13.21261173      43.60311548       0.66031799
C       2.82752366      61.74625138       2.15602426
C      44.37936614      25.61756711      -0.68668720
C      33.97282605      43.96529648       1.42133862
C      23.60704997      61.85352410       1.82453937
C      65.43916464      25.69624163       1.77158310
C      54.75700528      43.82974081       1.54143379
C      44.65951170      61.96760742       2.23167274
O      24.98392751      24.84082061       1.69440895
O      14.44502823      42.93105565       0.80903124
O       4.06000748      61.11025407       2.19512784
O      45.61315195      24.94408691      -0.74819366
O      35.19135403      43.30011671       1.58779544
O      24.83429062      61.17670065       1.86455362
O      66.61785464      24.98508384       1.53164274
O      55.97546200      43.15969156       1.46538293
O      45.88183600      61.30592846       1.99599165
C      25.79976490      25.95459363       1.82383256
C      15.29710127      44.00717486       1.05492077
C       4.87102985      62.18511573       2.45204605
C      46.46844496      26.01651765       2.46813505
C      36.06117109      44.35699389       1.58162457
C      25.69004890      62.24922388       2.04230587
C      67.48058813      26.04244424       1.28300791
C      56.82802709      44.21714690       1.34089894
C      46.71564216      62.37457165       1.92574414
C      25.09850131      27.11581271       1.66803737
C      14.64416121      45.18934871       0.99907685
C       4.18182317      63.35754520       2.52634686
C      45.78270527      27.21954379       2.55063258
C      35.39032237      45.55046623       1.48351478
C      25.02074869      63.41230242       2.10894788
C      66.85277573      27.22342212       1.37134728
C      56.16980876      45.38720138       1.22300366
C      46.04673143      63.56892548       1.98899405
N      23.79053141      26.78679042       1.38357239
N      13.30880536      44.91523768       0.68929801
N       2.82768492      63.04295238       2.30382825
N      44.41714039      26.92929112      -0.71856093
N      34.02745161      45.27387790       1.38215644
N      23.64411006      63.14709352       1.99760377
N      65.50017141      27.00712004       1.70895528
N      54.78452440      45.14475069       1.42209696
N      44.71176711      63.29423624       2.17433072
O      12.18074616      33.71653155       2.58835575
O       1.49669911      51.78966473       2.01138351
O      -8.94219493      69.82987712       2.36397980
O      32.69167795      34.00353368       0.13376910
O      22.22123615      51.85051636       2.07096593
O      11.93964340      69.97470101       1.04623776
O      53.53447842      33.93048181       2.23185456
O      43.23128783      52.06482972       0.80636313
O      32.78932930      70.09057661       1.93390317
N       9.90444811      33.70939924       2.25612376
N      -0.81585676      51.72250105       1.87777046
N     -11.23780775      69.86890396       2.14035557
N      30.39316651      33.99114762      -0.10380000
N      19.93967781      51.87788426       2.28376652
N       9.61424231      69.95647335       1.08950136
N      51.25226937      33.85349121       2.33549659
N      40.93707586      52.06948770       1.05996549
N      30.47069715      70.04908222       1.95041921
C      11.00295507      33.01342476       2.30960587
C       0.30170473      51.05410852       2.05624455
C     -10.14625749      69.14129638       2.21621663
C      31.49040815      33.28941539      -0.04352090
C      21.01503485      51.17391893       2.24175047
C      10.71089959      69.25778011       0.93854693
C      52.36330181      33.17728979       2.35187615
C      42.02132699      51.37262417       1.04195279
C      31.57968691      69.35044593       2.03724768
C      10.32326720      35.02414881       2.44400114
C      -0.35685330      53.06557416       1.77157613
C     -10.78130804      71.16121258       2.27605341
C      30.84580239      35.31259958       0.12021153
C      20.38651351      53.17693142       2.07500302
C      10.09085866      71.22857073       1.35682750
C      51.65741552      35.18096181       2.20781291
C      41.36693448      53.38644393       0.75732621
C      30.92135679      71.37280044       1.83557722
C      11.68369271      34.98910787      -0.72263008
C       0.99965920      53.04255718       1.88900664
C      -9.43009225      71.12801052       2.37114057
C      32.20476507      35.27092853       0.20527090
C      21.74578727      53.14128448       2.00193909
C      11.44927190      71.21994154       1.28892898
C      53.01792585      35.18552031       2.15384335
C      42.74959109      53.32559631       0.59867805
C      32.29317473      71.35021938       1.86230992
H       8.88723653      31.41729779       2.03439109
H      -1.87635621      49.39198270       2.23095338
H     -12.28295656      67.49041959       2.46602378
H      29.38726075      31.58598680      -0.64043988
H      18.97126100      49.47016605       1.76184899
H       8.53939972      67.65113325       0.60440785
H      50.18693111      31.48902235       2.56137640
H      39.87121325      49.70192731       1.29098374
H      29.37757542      67.67521154       2.10238111
H      13.10629728      31.33961808      -0.74251231
H       2.44221677      49.37112660       2.26587518
H      -8.03132167      67.48811980       1.86283689
H      33.63171410      31.67610075       0.10228456
H      23.13012666      49.61232372      -0.68502149
H      12.76630224      67.61381665       0.95198626
H      54.51640822      31.58475885       2.52038821
H      44.16785721      49.72415810       0.85240522
H      33.71721555      67.79659442       2.46657170
H      10.91754177      27.66355827       2.49710092
H       0.27362344      45.68750055       2.51442654
H     -10.14909975      63.77647362       2.17854133
H      31.55461495      27.92095039      -0.49752654
H      21.16111996      45.78469789       2.43767719
H      10.69638552      63.93324443       0.20357646
H      52.46144802      27.80671321      -0.44278987
H      42.05570991      46.01180716       1.20700077
H      31.57793150      64.03263781      -0.58906809
H      17.43486031      29.25998094      -0.22575499
H       6.72505634      47.38098684      -0.64963891
H      -3.60133705      65.37646365       1.53340554
H      38.09565739      29.46941671       0.24737719
H      27.44182825      47.58772555       0.41401108
H      17.19127845      65.48947007       0.99416160
H      58.91705802      29.50607592       2.43853696
H      48.48521729      47.57674264       0.09999437
H      38.16021671      65.74988905       2.55161317
H      14.81188345      25.01912734       0.06787587
H       4.35240155      42.96697050       2.36039978
H      -6.19520415      61.12419050       1.81464071
H      35.54598240      25.17346357       0.22920150
H      25.06823210      43.16745118      -0.17467136
H      14.56454191      61.15568866       0.89080678
H      56.43710994      25.19142123      -0.35566978
H      45.82191470      43.31059817       0.07848261
H      35.64851423      61.46323354      -0.38896447
H      21.26257781      26.55903449       1.09543579
H      10.80919047      44.72886354       0.09954223
H       0.35248602      62.75354747       2.04876682
H      42.01797437      26.65769244      -0.25087781
H      31.47934588      44.95895667       1.23356157
H      21.09807481      62.89708622       1.42279603
H      62.92159948      26.81802892       2.03248666
H      52.31736921      44.87892045       2.15384114
H      42.20999666      62.98843600       2.29376075
H      23.42950235      22.81296598       1.06163100
H      12.93483238      40.98134664       0.33471661
H       2.55013125      59.09923530       1.97881003
H      44.04891324      22.95216901      -0.49944940
H      33.72662724      41.28550512       1.10588735
H      23.29561806      59.23603674       1.88546830
H      65.07684313      23.04084939       2.05158567
H      54.33410579      41.19452660       1.50130609
H      44.35106929      59.31184867      -0.63124256
H      19.14487957      22.92716286       0.46757407
H       8.73666546      41.01805853      -0.65978948
H      -1.74380858      59.03065638       1.51609349
H      39.70480415      23.00326595      -0.08315648
H      29.44865180      41.25545834       0.43310650
H      18.99554530      59.14071625       1.52938715
H      60.79711912      23.05035808       2.54975090
H      50.17561007      41.21619454       2.55772754
H      39.99884229      59.36915844      -0.30272983
H      18.71404355      18.10429306       0.00287295
H       8.45641565      36.17034958       2.38689514
H      -2.16849172      54.31892292       1.55838750
H      39.26632125      18.19258394      -0.69010124
H      29.03198375      36.56433442       0.12355865
H      18.58508053      54.35068360       2.20892124
H      60.36966340      18.20958697       2.33061792
H      49.76987790      36.28423525       2.41109420
H      39.57311498      54.63141312       0.77368528
H      23.71338275      18.07474444      -0.06594008
H      13.46986612      36.20668546      -0.36452243
H       2.79539902      54.26138139       2.07909665
H      44.29568094      18.12168400      -0.44734934
H      34.08160918      36.47242670       0.44714272
H      23.57131485      54.29253310       1.75374743
H      65.36434524      18.26526540       2.44843136
H      54.77503881      36.39835683       1.81658173
H      44.57596930      54.44290905       0.18654109
H       4.43433670      29.40669536       2.11680670
H      -6.23366683      47.23623357       2.52502539
H     -16.68180915      65.47281498      -0.69033208
H      25.18642470      29.28641210       1.40450720
H      14.74686455      47.38786676       1.10291668
H       4.17237202      65.49698161      -0.58604032
H      45.87668108      29.41933737      -0.60289008
H      35.53433096      47.71535573       1.21645419
H      25.05713679      65.58197412       2.21672418
H       6.76430773      25.03305237       2.03944105
H      -3.73968621      42.98348691      -0.49845701
H     -14.27418814      61.09516283      -0.46737759
H      27.77136256      25.09053039       2.23439139
H      17.26457813      43.04534558       1.22492820
H       6.80897548      61.23819535      -0.62770004
H      48.45846355      25.05994404       2.50179646
H      37.97231309      43.33598328       1.64610854
H      27.64650976      61.28334683       2.03980638
VEC1      83.60339998       0.00000000       0.00000000 
VEC2     -41.63448794      72.30527001       0.00000000 
VEC3       0.00000000       0.00000000       3.37270000 
