   318
 geometry
 N                     1.03291074    13.01428385     0.57987364
 C                    -0.22633128    12.87568307     0.09537113
 N                    -1.22115889    13.77955258     0.19119169
 C                    -0.83440313    14.88745968     0.81822317
 C                     0.43933778    15.15505406     1.35779332
 C                     1.40807791    14.13188028     1.22891522
 N                    -1.59515168    16.00663534     1.09084950
 C                    -0.75253028    16.86906472     1.76228256
 N                     0.46065345    16.40750885     1.94215956
 C                     2.76155914    14.22934815     1.77550398
 C                    -0.49938830    11.59902178    -0.56599307
 C                    -1.65456834    11.06143202    -1.12662043
 C                    -1.42977037     9.75214781    -1.63500236
 C                    -0.13888413     9.28596450    -1.47180636
 S                     0.83837744    10.48238304    -0.66792795
 C                     3.88102730    13.42923272     1.54589501
 C                     5.01115385    13.87117830     2.29959176
 C                     4.76187663    14.96251403     3.08428018
 S                     3.14150802    15.52152763     2.91862260
 C                    -3.01954168    11.70549746    -1.18141424
 C                    -3.00892598    16.20648440     0.77514168
 C                    -3.28329584    16.38951547    -0.72329609
 C                     3.98726277    12.24686641     0.61314487
 N                     2.90126042     3.78699834    -1.66849998
 C                     3.94842440     2.97896495    -1.37296731
 N                     5.23430264     3.35678184    -1.22777074
 C                     5.40351063     4.65698723    -1.45513817
 C                     4.40571413     5.59433842    -1.78629683
 C                     3.07818895     5.10871587    -1.84677911
 N                     6.57817765     5.37809823    -1.38116937
 C                     6.22946948     6.68040508    -1.67601691
 N                     4.95417137     6.85524570    -1.92305862
 C                     1.91475557     5.97664439    -1.99013374
 C                     3.59700941     1.57848840    -1.14204654
 C                     4.32468521     0.50189282    -0.64331726
 C                     3.51766146    -0.66149657    -0.51668553
 C                     2.20187327    -0.49245789    -0.91043381
 S                     1.94060445     1.13705911    -1.46577638
 C                     0.56871138     5.67040400    -2.20796811
 C                    -0.25753785     6.82049998    -2.10673412
 C                     0.41192439     7.98658143    -1.79003830
 S                     2.12634364     7.70115147    -1.70297458
 C                     5.76915835     0.52497101    -0.20284723
 C                     7.89166764     4.88134726    -0.97926057
 C                     8.58921160     4.02452401    -2.04290332
 C                     9.96768554     3.55201340    -1.56036547
 C                    -0.02227616     4.31155640    -2.50411700
 N                    -3.12010360    -3.94574187    -0.64638789
 C                    -4.45862905    -4.16097188    -0.64078044
 N                    -5.41703974    -3.24003750    -0.86384120
 C                    -4.90265013    -2.03864255    -1.12404031
 C                    -3.53651027    -1.69427930    -1.16966147
 C                    -2.60930073    -2.72738733    -0.89138015
 N                    -5.58392051    -0.87031601    -1.40673377
 C                    -4.61092328     0.08619446    -1.61023105
 N                    -3.38426365    -0.35791881    -1.47970716
 C                    -1.16702013    -2.52388323    -0.83377071
 C                    -4.83088174    -5.55108166    -0.36739630
 C                    -6.04643990    -6.22031748    -0.26792690
 C                    -5.86353286    -7.61240304    -0.01747548
 C                    -4.54078707    -8.00858394     0.06282804
 S                    -3.48719008    -6.64163724    -0.17197734
 C                    -0.13782349    -3.39992049    -0.46851428
 C                     1.12908919    -2.76262354    -0.48019344
 C                     1.10463412    -1.43112920    -0.84559954
 S                    -0.52450166    -0.92199407    -1.18648614
 C                    -7.41397352    -5.59708088    -0.41000953
 C                    -7.03097187    -0.65744457    -1.43809839
 C                    -0.25768662    -4.85856124    -0.09737451
 N                    -0.84353465   -13.13486757     0.11925709
 C                     0.36649320   -13.73926917     0.03336010
 N                     1.56625922   -13.16262624     0.24978167
 C                     1.45959284   -11.88823177     0.61351964
 C                     0.26887127   -11.15722718     0.76404981
 C                    -0.93669231   -11.83533259     0.46393046
 N                     2.47816229   -11.00796209     0.92273929
 C                     1.85278634    -9.81964958     1.23362986
 N                     0.54557933    -9.86267956     1.15778398
 C                    -2.22720943   -11.15631001     0.44690289
 C                     0.35689582   -15.15213653    -0.35718997
 C                     1.40047942   -16.05057737    -0.54607411
 C                     0.91921701   -17.33210459    -0.95850021
 C                    -0.44149208   -17.40112291    -1.07604245
 S                    -1.19448794   -15.89750202    -0.68706221
 C                    -3.52131805   -11.63515517     0.22245618
 C                    -4.47003457   -10.58282258     0.11093578
 C                    -3.93844318    -9.31414158     0.24126718
 S                    -2.23376971    -9.40294959     0.58170751
 C                     3.91641643   -11.24894538     0.84495907
 C                     4.44082063   -11.29136097    -0.59600235
 C                     5.97169155   -11.36881751    -0.65693327
 C                     6.49812526   -11.67997885    -2.06323089
 H                    -1.10410059    17.83763806     2.09851034
 H                    -2.21231273     9.17060563    -2.11189853
 H                     5.97908937    13.38413446     2.23936347
 H                     5.45075029    15.48058947     3.73861361
 H                    -3.34275252    17.08306067     1.34513015
 H                    -3.56452233    15.33796579     1.15296441
 H                     3.90195136    -1.59530289    -0.11732546
 H                    -1.33540371     6.77216939    -2.22039570
 H                     7.75978349     4.29988397    -0.05862295
 H                     8.50050712     5.75918719    -0.72671284
 H                    -6.69785170    -8.29845527     0.09640738
 H                     2.04058962    -3.28586937    -0.21191124
 H                     1.58191208   -18.16619498    -1.16855455
 H                    -1.04065659   -18.25114289    -1.37857024
 H                    -5.51514020   -10.76767269    -0.11335923
 H                     4.12984515   -12.19269265     1.35688400
 H                     4.40353707   -10.44941468     1.41279372
 H                     6.33301254   -12.14073428     0.03956280
 H                     6.39943273   -10.41815590    -0.30411037
 H                     0.72743206     3.68042586    -2.98438404
 H                    -0.84316455     4.44774395    -3.22266314
 C                    -0.56516327     3.56085089    -1.26566329
 H                     0.25263480     3.44147540    -0.54491591
 H                    -0.84021009     2.54734159    -1.58891140
 C                    -1.77439953     4.19574888    -0.56825279
 H                    -1.51307401     5.19565867    -0.19451570
 C                    -2.28546916     3.33597603     0.59664807
 H                    -2.58794535     4.34096879    -1.29715553
 H                    -1.47237795     3.19940236     1.32476814
 H                    -2.52906529     2.32963008     0.22524698
 C                    -3.50835278     3.92322996     1.31325796
 H                    -3.26861330     4.93280567     1.67639076
 C                    -3.99204200     3.06205854     2.48510804
 H                    -4.32698718     4.04919635     0.58909369
 H                    -3.21396492     2.96778646     3.25237292
 H                    -4.24650946     2.04826293     2.15196952
 H                    -4.88043646     3.49080906     2.96168331
 H                    -2.70139158    17.24233661    -1.09945034
 C                    -4.77756897    16.59980400    -1.00595606
 H                    -2.92152756    15.49911059    -1.25211797
 H                    -5.10065888    17.55966002    -0.57666132
 H                    -5.35830137    15.82331930    -0.48481639
 C                    -5.13183897    16.55786074    -2.49893475
 H                    -4.53047139    17.30084860    -3.04242593
 C                    -6.62085162    16.80687971    -2.77602954
 H                    -4.84583541    15.57837880    -2.90745111
 H                    -6.88567725    17.81982894    -2.44072021
 H                    -7.22210846    16.11702761    -2.16591868
 C                    -6.99619710    16.63839012    -4.25218827
 H                    -6.41991183    17.31777489    -4.89242178
 H                    -8.05927276    16.84424526    -4.42143882
 H                    -6.79757007    15.61516986    -4.59440789
 H                    -2.92245794    12.75983595    -1.45888726
 C                    -3.79192967    11.61865694     0.15024058
 H                    -3.60373382    11.21258695    -1.97004771
 H                    -3.21100343    12.13906128     0.92057421
 H                    -3.86597826    10.56848042     0.46661154
 C                    -5.19458765    12.23386957     0.06074769
 H                    -5.12138304    13.22611869    -0.40911961
 C                    -5.88430822    12.38188059     1.42307450
 H                    -5.82240236    11.62880284    -0.60964957
 H                    -5.27586034    13.04081370     2.06059435
 H                    -5.90802114    11.40815986     1.93550748
 C                    -7.31137545    12.94073633     1.33860847
 H                    -7.30844571    13.86312535     0.74060315
 C                    -7.92284732    13.22749964     2.71338225
 H                    -7.94825183    12.22705470     0.79464390
 H                    -7.34037427    13.98687354     3.25305600
 H                    -7.94022606    12.32193801     3.33399564
 H                    -8.95215926    13.59589578     2.62621724
 H                     6.36782081     1.07492241    -0.93430038
 H                     6.14525584    -0.50642923    -0.18014306
 C                     5.97065466     1.17258132     1.18184522
 H                     5.57705311     2.19442059     1.14537955
 C                     7.44207083     1.20989116     1.61340323
 H                     5.37587041     0.63247211     1.93040139
 H                     8.04337142     1.64142208     0.80003224
 H                     7.81573528     0.18546568     1.75370564
 C                     7.68296589     2.02333391     2.89129040
 H                     7.31031316     3.04926558     2.73909500
 C                     9.15675544     2.08166104     3.31256602
 H                     7.08458461     1.60635653     3.71555726
 H                     9.75940225     2.45662263     2.47082954
 H                     9.51802455     1.06280144     3.51247685
 C                     9.40082424     2.96335765     4.54108973
 H                     9.09438298     3.99925534     4.34996612
 H                    10.45971842     2.97625043     4.82170260
 H                     8.82821511     2.60555627     5.40598397
 C                    10.63720753     2.55659571    -2.52048518
 H                     9.85959294     3.09031964    -0.56803832
 H                    10.62388738     4.42411688    -1.42163583
 H                    10.02943655     1.64138158    -2.56655494
 C                    12.08380999     2.19208647    -2.14693088
 H                    10.63115235     2.97739790    -3.53599577
 C                    12.23892315     1.51248630    -0.78218376
 H                    12.70096030     3.10157786    -2.17342991
 H                    12.48815605     1.52851134    -2.92251469
 H                    -7.41343895    -4.92288831    -1.27333671
 C                    -7.88565091    -4.80339699     0.82377247
 H                    -8.13988100    -6.39296028    -0.62197878
 H                    -7.15880815    -4.00820234     1.02780618
 H                    -7.89513201    -5.45971905     1.70500610
 C                    -9.27653723    -4.18999214     0.61446828
 H                    -9.27689461    -3.61393399    -0.32441429
 C                    -9.73200818    -3.27736303     1.75891367
 H                   -10.01393684    -4.99408371     0.47287241
 H                    -8.99750150    -2.46795495     1.88950209
 H                    -9.72967149    -3.84139896     2.70341771
 C                   -11.12232025    -2.66747662     1.53685125
 H                   -11.13352774    -2.13422522     0.57521070
 C                   -11.54709918    -1.71177392     2.65453046
 H                   -11.86194254    -3.47548106     1.44166981
 H                   -10.83927632    -0.87786312     2.75455108
 H                   -11.58585174    -2.22630101     3.62301289
 H                   -12.53859670    -1.28565771     2.46062995
 H                     6.12808529   -12.66922441    -2.36915952
 C                     8.02908832   -11.65535060    -2.16179698
 H                     6.07377493   -10.96303750    -2.78165467
 H                     8.45214977   -12.30807290    -1.38500515
 H                     8.38832778   -10.64150932    -1.93633696
 C                     8.55470595   -12.09308663    -3.53239860
 C                     2.87628381   -15.78158142    -0.36285528
 H                     3.13310739   -14.82360091    -0.82534841
 H                     3.43925507   -16.56098177    -0.89414749
 C                     3.33504956   -15.74672229     1.10839819
 H                     2.74975401   -14.98456045     1.63462361
 C                     4.83042007   -15.42985365     1.24763651
 H                     3.11005552   -16.70851631     1.58885308
 H                     5.06285826   -14.53842895     0.64517710
 H                     5.42611306   -16.24812289     0.81485722
 C                     5.27678043   -15.17781045     2.69411085
 H                     4.67420302   -14.35988844     3.11704297
 C                     6.76384481   -14.82551066     2.82255070
 H                     5.05630435   -16.06203608     3.30961982
 H                     6.99296098   -13.98392153     2.15155952
 H                     7.36930686   -15.67048608     2.46600265
 C                     7.18644425   -14.46217058     4.25048770
 H                     6.64367960   -13.58039959     4.61280344
 H                     8.25742868   -14.23808544     4.30483752
 H                     6.98215534   -15.28449525     4.94838428
 C                    -3.94478283   -13.07963938     0.12121888
 H                    -3.31712659   -13.60317701    -0.60397542
 H                    -4.97462915   -13.11001843    -0.25485754
 C                    -3.87225189   -13.83272000     1.46303926
 H                    -2.82027660   -13.88029342     1.77144481
 C                    -4.44881088   -15.25378002     1.37773669
 H                    -4.40308587   -13.26114765     2.23801419
 H                    -4.10948883   -15.72567838     0.44544464
 H                    -5.54680958   -15.20563197     1.31633803
 C                    -4.02931024   -16.14070099     2.55564996
 H                    -2.92920477   -16.18578932     2.57917927
 C                    -4.59055314   -17.56686539     2.48447278
 H                    -4.33586722   -15.67290754     3.50349948
 H                    -4.33321898   -18.00602545     1.51041059
 H                    -5.68937216   -17.53066106     2.52273582
 C                    -4.06848903   -18.47706417     3.60058325
 H                    -2.97510809   -18.55169409     3.56568415
 H                    -4.47384637   -19.49226974     3.51427162
 H                    -4.34092235   -18.09295938     4.59015817
 H                     3.27992748    12.36645418    -0.21017691
 C                     3.73506669    10.87051850     1.26868480
 H                     4.99697780    12.24663068     0.17933853
 H                     2.74610750    10.88000668     1.74456209
 C                     4.79536072    10.40068634     2.27503326
 H                     3.67947230    10.12979341     0.45901950
 H                     4.84453054    11.08936773     3.13289637
 H                     5.78898284    10.42788229     1.79895965
 C                     4.51538700     8.97657095     2.77765814
 H                     3.55065948     8.96377389     3.30566952
 C                     5.60194381     8.40550869     3.69661381
 H                     4.39213337     8.30942990     1.91146682
 H                     5.74511303     9.07300903     4.55849680
 H                     6.56118279     8.39498756     3.15856324
 C                     5.27911673     6.99251590     4.19287995
 H                     4.35431951     6.98259084     4.78146041
 H                     6.08086235     6.59419290     4.82393091
 H                     5.13879718     6.30184132     3.35463095
 H                     8.69207703     4.60391160    -2.97129701
 H                     7.95243954     3.16174992    -2.27284720
 H                    -4.87122105     1.10648725    -1.86260558
 H                     2.42918796    -8.94987316     1.52567152
 H                     4.09191760   -10.39907583    -1.13198529
 H                     3.99739456   -12.15681976    -1.10335191
 C                    -7.50050953     0.29860020    -0.33164350
 H                    -7.49413198    -1.64375723    -1.33829450
 H                    -7.30062020    -0.26121246    -2.42602138
 H                    -7.32748210    -0.17010924     0.64590248
 C                    -8.96906961     0.71791810    -0.47082426
 H                    -6.87486869     1.20118277    -0.35670066
 H                    -9.62326406    -0.16391069    -0.41093593
 H                    -9.12876523     1.15045046    -1.47000183
 C                    -9.38631275     1.74496541     0.59289984
 H                    -9.35054488     1.27568049     1.58650687
 C                   -10.77784942     2.34573145     0.35862309
 H                    -8.64720053     2.55953284     0.61740980
 H                   -11.52592038     1.54057456     0.33329828
 H                   -10.80162865     2.81573345    -0.63511511
 C                   -11.17215790     3.37975207     1.42007288
 H                   -11.22022962     2.92662645     2.41777148
 H                   -12.15351944     3.81863065     1.20621899
 H                   -10.44397476     4.19939091     1.46367445
 H                    -1.17382634    -5.02139653     0.47208697
 H                     0.58469311    -5.11281252     0.56126892
 C                    -0.25178148    -5.82554180    -1.30314566
 H                    -1.09137798    -5.57008107    -1.96201552
 H                    -0.45625290    -6.82954083    -0.91308528
 C                     1.05237892    -5.84352837    -2.11194000
 H                     1.27532614    -4.82992883    -2.46975932
 C                     1.02051444    -6.79502590    -3.32067647
 H                     1.88817547    -6.12550647    -1.45183458
 H                     0.19287393    -6.50368688    -3.98438787
 C                     0.87988864    -8.28266694    -2.96828397
 H                     1.94072368    -6.65458736    -3.90598585
 H                    -0.05060841    -8.44935298    -2.41280891
 H                     1.69436228    -8.57004007    -2.28686588
 C                     0.89594275    -9.19579436    -4.19896080
 H                     0.08397422    -8.93807622    -4.89020217
 H                     0.76873754   -10.24739500    -3.91732718
 H                     1.83963645    -9.10786861    -4.75170886
 H                    11.64369710     0.59280025    -0.72701243
 H                    11.91812425     2.16376172     0.03872391
 H                    13.28407890     1.24404279    -0.59735594
 H                     8.25955773   -13.12621960    -3.75616993
 H                     9.64992476   -12.04361205    -3.57533900
 H                     8.16034468   -11.45550318    -4.33338313
 H                     6.97665981     7.46445981    -1.69194316
