 54
 Energy -1370.01282700  Point 6,13  Symmetry C1  Ellips 3.02_2.81_2.35
 C   -0.19298659   1.30544443   3.38280049
 C   -1.15012175   0.69853493   2.60692576
 C    0.15992744   3.03725533   1.73042884
 C    0.45662394   2.47815989   2.94911288
 C   -0.78729471   2.41812385   0.90973026
 C   -1.43886134   1.26669926   1.36518588
 N   -2.32961261   0.87975884   0.39751909
 C   -1.29969010   2.70302890  -0.40329866
 C   -2.22448057   1.74011526  -0.65811032
 C    0.29782338   2.98256934  -2.25401978
 C   -0.71597756   3.68094539  -1.35251184
 N    0.97343967   1.90563139  -1.54974624
 C    1.99523674   2.15861643  -0.67434113
 C    2.45717925   1.17889191   0.13513588
 C    0.41150772   0.63303184  -1.73283661
 C   -1.02372030  -1.91759424  -0.52031195
 C   -2.09458760  -1.80227409  -1.39577029
 C   -3.39780825  -1.92162147  -0.93755872
 C   -3.64305634  -2.16687708   0.40709265
 C   -2.57553657  -2.28619643   1.28653954
 C   -1.27660278  -2.15747666   0.82165983
 C    0.92103291  -0.40765326  -0.86216659
 C    1.88294831  -0.11546623   0.03466689
 O    2.39097033  -1.05813552   0.85988721
 C    2.19323018  -2.36006369   0.58538597
 C    1.30436456  -2.75963575  -0.34952016
 C    0.39055447  -1.79288525  -1.03311742
 O   -0.45763113   0.45401539  -2.55541412
 N    2.96172749  -3.17728340   1.37516130
 C    1.16785189  -4.16191861  -0.62452556
 C    2.60582639   3.52519776  -0.67297837
 H    0.05885227   0.88295823   4.35155855
 H   -1.67020223  -0.19192927   2.93291184
 H    0.64765671   3.94740645   1.40894169
 H    1.19524006   2.94589340   3.59336521
 H   -2.87209580   0.03682294   0.40570714
 H   -2.79969589   1.57492665  -1.55611968
 H   -0.21126140   2.52406855  -3.09453484
 H    1.03172597   3.68302568  -2.65452806
 H   -1.48115579   4.15071938  -1.97973103
 H   -0.23704562   4.47830691  -0.78348636
 H    3.26322381   1.34141491   0.83113678
 H   -1.90709979  -1.59814804  -2.44147230
 H   -4.22481534  -1.82372775  -1.63475538
 H   -4.66270046  -2.26407726   0.76860023
 H   -2.75491771  -2.48012084   2.33975281
 H   -0.45431813  -2.25032153   1.51570317
 H    0.36365141  -2.00864833  -2.10492377
 H    3.01200767  -4.14087539   1.08062764
 H    3.83182721  -2.76652268   1.67514892
 H    3.06722682   3.72804186  -1.64124224
 H    1.86162803   4.29325099  -0.48471332
 H    3.37389361   3.58516747   0.09534744
 N    1.08087289  -5.29608642  -0.82760273
 54
 Energy -1370.00744639  Point 31  Symmetry C1  Ellips 3.29_3.14_2.25
 C   -0.18994416   4.44238348   2.56936352
 C   -0.80543905   3.21416467   2.53140215
 C    0.01156788   4.50857964   0.15681716
 C    0.21303448   5.09264620   1.38456557
 C   -0.59611872   3.25016287   0.09527329
 C   -1.00825216   2.62606242   1.28049830
 N   -1.59335286   1.43119677   0.94496191
 C   -0.94156071   2.37094015  -0.98752332
 C   -1.54813294   1.29794082  -0.41602629
 C    0.93687145   2.10188745  -2.57027717
 C   -0.53223646   2.47989255  -2.40695407
 N    1.34381678   1.09100017  -1.60677454
 C    2.18661250   1.38667166  -0.56611288
 C    2.41430700   0.47449600   0.40919483
 C    0.71135885  -0.15187201  -1.75452418
 C   -1.22558199  -2.14631046  -0.29851656
 C   -2.23900423  -2.10852204  -1.24446030
 C   -3.54305186  -1.81461847  -0.87015445
 C   -3.84474363  -1.56016754   0.45956588
 C   -2.83418665  -1.60200397   1.41190809
 C   -1.53473026  -1.88998510   1.03006981
 C    0.94607853  -1.10432629  -0.68795773
 C    1.76101257  -0.78167584   0.33427809
 O    2.00873732  -1.65270215   1.33985082
 C    1.68977578  -2.95222047   1.19230566
 C    0.88151628  -3.37162187   0.19501991
 C    0.20393872  -2.39678105  -0.71380372
 O   -0.00968969  -0.36465730  -2.70266406
 N    2.24439778  -3.73475483   2.17327904
 C    0.59745285  -4.77277895   0.06711891
 C    2.88087848   2.71328275  -0.53871561
 H   -0.01703685   4.92573688   3.52705536
 H   -1.12946349   2.70767975   3.43336417
 H    0.31006031   5.01312169  -0.75497341
 H    0.68453644   6.06900057   1.44905595
 H   -1.97947218   0.75153150   1.57262740
 H   -1.94349937   0.41621881  -0.88738973
 H    1.11748847   1.72080386  -3.57620484
 H    1.56996968   2.97084191  -2.42919452
 H   -1.14236730   1.80369632  -3.00237118
 H   -0.68108034   3.49399916  -2.79363315
 H    3.08533630   0.66959473   1.22934964
 H   -2.00400738  -2.28550684  -2.28686137
 H   -4.32437360  -1.78186550  -1.62398219
 H   -4.86447846  -1.33017286   0.75482153
 H   -3.05984421  -1.41219853   2.45776645
 H   -0.75363331  -1.91077097   1.77600328
 H    0.19849549  -2.78074974  -1.73607780
 H    2.20544075  -4.72897269   2.00603111
 H    3.11816408  -3.38790291   2.53682686
 H    3.55466937   2.74872968   0.31488772
 H    3.46610347   2.86225356  -1.44684747
 H    2.16489998   3.52454064  -0.44313622
 N    0.39007020  -5.90670071  -0.01378717
 54
 Energy -1370.00589652  Point 33  Symmetry C1  Ellips 3.02_2.88_2.49
 C   -3.87457549   0.95287175   0.25865347
 C   -3.08792958   0.81239566  -0.85741625
 C   -2.38481620   2.60635495   1.21081963
 C   -3.52631939   1.84899992   1.28993285
 C   -1.56498458   2.47347594   0.08780307
 C   -1.92673970   1.58396612  -0.92777217
 N   -0.94673856   1.62131111  -1.88778667
 C   -0.30558720   3.05648782  -0.28567418
 C    0.01316016   2.51084565  -1.48922970
 C    1.25512436   3.03985992   1.62611755
 C    0.57074298   3.89719893   0.56642800
 N    1.68775343   1.78231874   1.04087253
 C    2.80049615   1.71838245   0.24065852
 C    2.95828670   0.69728530  -0.63283846
 C    0.72707358   0.75930416   1.10079631
 C   -0.07624146  -2.36480679   0.92339600
 C   -0.82070400  -2.37117453   2.09417396
 C   -0.63730822  -3.37090137   3.03916944
 C    0.29590017  -4.37382480   2.81856577
 C    1.04796788  -4.36801461   1.65037716
 C    0.86143531  -3.36633704   0.71214710
 C    0.85239937  -0.26058869   0.08100624
 C    1.90998182  -0.25905977  -0.74646776
 O    1.99874629  -1.15419453  -1.76095215
 C    0.86382515  -1.71077980  -2.22707889
 C   -0.26674763  -1.71452808  -1.48811394
 C   -0.25177999  -1.24552178  -0.06939607
 O   -0.16459574   0.78978691   1.91157009
 N    1.02422881  -2.25398475  -3.47513803
 C   -1.48853886  -2.18528941  -2.07005488
 C    3.82683920   2.80239062   0.37410157
 H   -4.78450764   0.36575153   0.34783254
 H   -3.34073990   0.12456878  -1.65520069
 H   -2.11326128   3.28887538   2.00589603
 H   -4.17513100   1.93805027   2.15587875
 H   -0.94629418   1.09447240  -2.73912599
 H    0.88790420   2.67735652  -2.09915836
 H    2.10174605   3.56046772   2.07527754
 H    0.55875254   2.79217059   2.41875605
 H    1.32354204   4.37591000  -0.06248803
 H    0.00606139   4.69521969   1.05986185
 H    3.82502625   0.61135833  -1.26802921
 H   -1.53561680  -1.57825293   2.27615072
 H   -1.22685182  -3.36302120   3.95147096
 H    0.43937971  -5.15851923   3.55592828
 H    1.78340991  -5.14643770   1.46842861
 H    1.45393865  -3.36779496  -0.19113018
 H   -1.18831581  -0.74054199   0.15708309
 H    0.17662366  -2.53533822  -3.94332128
 H    1.71902645  -1.80323262  -4.04851069
 H    4.69105049   2.57033738  -0.24606259
 H    3.42310142   3.76384833   0.05946847
 H    4.15288134   2.89212124   1.41073953
 N   -2.46933834  -2.53151324  -2.57409779
 54
 Energy -1370.00537445  Point 10  Symmetry C1  Ellips 3.29_2.96_2.25
 C   -2.99823857   1.60217942   0.62943820
 C   -2.61745050   2.68369154  -0.12661248
 C   -0.86479168   1.53605456   1.76627984
 C   -2.13027441   1.03880732   1.58405890
 C   -0.44412631   2.61886390   0.98898560
 C   -1.33312715   3.19404011   0.07559310
 N   -0.69957876   4.26310441  -0.51047623
 C    0.78632364   3.36347974   0.91608661
 C    0.56620249   4.35517239   0.01489728
 C    2.88989774   2.12816117   0.54195747
 C    2.07330818   2.94990717   1.53290643
 N    2.02430475   1.25570752  -0.23271450
 C    1.59905604   1.60909709  -1.48998474
 C    0.54455361   0.97869652  -2.05184973
 C    1.49758516   0.17296696   0.48217408
 C    0.61678177  -2.90100717   0.29213884
 C    1.52999367  -3.32818757   1.24563292
 C    2.34329124  -4.42565704   0.99981789
 C    2.24881418  -5.10528182  -0.20623701
 C    1.34015811  -4.67769108  -1.16637910
 C    0.53306406  -3.58032070  -0.91555210
 C    0.39118688  -0.51290965  -0.15334672
 C   -0.08758147  -0.06767552  -1.32825518
 O   -1.19907518  -0.60090373  -1.87975992
 C   -2.03291863  -1.32581240  -1.11071546
 C   -1.63385807  -1.82927037   0.07596662
 C   -0.22441368  -1.67485341   0.54728285
 O    1.92246304  -0.09900880   1.58198473
 N   -3.26361182  -1.49087163  -1.69458987
 C   -2.58491664  -2.52083602   0.89653981
 C    2.35013987   2.66676344  -2.23893671
 H   -3.99137215   1.18119270   0.50153965
 H   -3.28067054   3.13999963  -0.85230463
 H   -0.19536513   1.09578980   2.49196870
 H   -2.46888618   0.19471943   2.17421820
 H   -1.10840530   4.89884774  -1.16813353
 H    1.23709459   5.13402732  -0.31735260
 H    3.42285894   2.77897189  -0.14451571
 H    3.62763298   1.51987189   1.06401461
 H    2.66561729   3.81353895   1.85546485
 H    1.86584504   2.34388950   2.41203144
 H    0.18230000   1.22824534  -3.03550640
 H    1.61806509  -2.78817077   2.18048388
 H    3.05378194  -4.74829030   1.75553131
 H    2.88293528  -5.96577189  -0.39974941
 H    1.25925550  -5.20023325  -2.11523771
 H   -0.16816437  -3.25266011  -1.66943074
 H   -0.21560879  -1.47750352   1.61975049
 H   -3.98114741  -1.85363236  -1.08519853
 H   -3.54386942  -0.72373628  -2.28510680
 H    2.29313843   3.63081279  -1.74205780
 H    3.40108700   2.38881700  -2.33235865
 H    1.92995426   2.76978105  -3.23756259
 N   -3.37956873  -3.05411086   1.54435810
 54
 Energy -1369.99570730  Point 1,2,4,5,12,15,18,19,21,28,36,37,38  Symmetry C1  Ellips 4.12_3.81_2.23
 C   -2.18052464   5.67598565  -1.57314818
 C   -1.27989463   6.37057585  -0.80081725
 C   -1.22615417   3.54222675  -0.93009588
 C   -2.15516013   4.26781098  -1.63799200
 C   -0.29970537   4.23163558  -0.14011792
 C   -0.33790731   5.62970675  -0.08344638
 N    0.66694022   6.04541590   0.75940721
 C    0.78035867   3.80030915   0.71163383
 C    1.32894928   4.93172330   1.22508538
 C    1.81650590   1.78752486  -0.30173115
 C    1.18264445   2.38553495   0.93490863
 N    1.87641127   0.33227194  -0.22846731
 C    2.99751135  -0.33187011   0.19513213
 C    2.99664666  -1.68489064   0.27988510
 C    0.67572153  -0.31012684  -0.56405654
 C   -1.53335825  -2.24538786   0.42013431
 C   -2.63275292  -1.41591926   0.26222136
 C   -3.48253446  -1.16232027   1.33020305
 C   -3.23620336  -1.73944374   2.56713841
 C   -2.13344811  -2.56916969   2.73157535
 C   -1.28956359  -2.81597299   1.66238435
 C    0.68962461  -1.75435675  -0.45938736
 C    1.80995789  -2.38828880  -0.06045069
 O    1.86054966  -3.73524970   0.04493113
 C    0.87045430  -4.48909341  -0.47249438
 C   -0.28548746  -3.94229971  -0.90411074
 C   -0.58109425  -2.48692773  -0.72422481
 O   -0.29122889   0.33861036  -0.89876890
 N    1.18500556  -5.82540094  -0.46353322
 C   -1.28833801  -4.79632712  -1.47563079
 C    4.21329252   0.46901025   0.55310650
 H   -2.92689776   6.22147019  -2.14461826
 H   -1.28951873   7.45271817  -0.74132441
 H   -1.20020302   2.45961575  -0.97801957
 H   -2.88246802   3.75249661  -2.25831995
 H    0.88362570   6.99546991   0.99157155
 H    2.15843135   5.03891952   1.91009651
 H    1.21746053   2.03804433  -1.16900376
 H    2.81706684   2.17945931  -0.46242569
 H    1.86898562   2.31630136   1.78157649
 H    0.29813997   1.79561066   1.17244460
 H    3.86298223  -2.23992502   0.60070538
 H   -2.81912011  -0.94933876  -0.69699000
 H   -4.33930336  -0.50914756   1.19201767
 H   -3.90108307  -1.54345389   3.40349543
 H   -1.93008203  -3.02575855   3.69594051
 H   -0.43246816  -3.46027268   1.79784230
 H   -1.03536280  -2.08654477  -1.63354439
 H    0.57737113  -6.41409017  -1.01326394
 H    2.17046037  -6.01951048  -0.54746557
 H    4.59603836   1.00186982  -0.31873507
 H    3.98051186   1.19974388   1.32708171
 H    4.99319460  -0.19519998   0.92146415
 N   -2.07301565  -5.50732123  -1.93807597
 54
 Energy -1369.99540503  Point 22  Symmetry C1  Ellips 4.20_3.86_2.27
 C   -2.73453025   5.63226186  -0.44229426
 C   -1.60385702   6.40686025  -0.33446468
 C   -1.43562373   3.58776353  -0.54225673
 C   -2.65211898   4.22863490  -0.54644092
 C   -0.27354239   4.35905355  -0.43054656
 C   -0.37023888   5.75185922  -0.33043265
 N    0.90587072   6.25788368  -0.23884189
 C    1.12863937   4.02599136  -0.39673924
 C    1.79219178   5.20508196  -0.27796564
 C    1.37442336   1.86862031   0.79737578
 C    1.68362820   2.64704064  -0.46209576
 N    1.58451147   0.43644166   0.62032459
 C    2.74459589  -0.18372118   1.00431495
 C    2.89953702  -1.51690889   0.81406948
 C    0.52309983  -0.22822528  -0.01110265
 C   -1.53662398  -2.53683095   0.29070655
 C   -2.70084738  -1.79477290   0.16465326
 C   -3.68680159  -1.86098393   1.13969450
 C   -3.51271380  -2.67269817   2.25082768
 C   -2.34555691  -3.41538632   2.38391490
 C   -1.36611330  -3.34313470   1.40832520
 C    0.69288286  -1.65693649  -0.17845238
 C    1.83787639  -2.24790761   0.21604121
 O    2.03992366  -3.57534227   0.05643354
 C    1.20479453  -4.29527852  -0.71832427
 C    0.04148944  -3.78389580  -1.17304079
 C   -0.44489426  -2.43559847  -0.74489093
 O   -0.45411015   0.38882022  -0.37490749
 N    1.67458965  -5.56676579  -0.93568032
 C   -0.78776096  -4.59084253  -2.02325913
 C    3.82527104   0.64280594   1.63417229
 H   -3.71084215   6.10972521  -0.44828568
 H   -1.65341649   7.48665126  -0.25534978
 H   -1.36623445   2.50881339  -0.62101319
 H   -3.56635422   3.64873853  -0.63134307
 H    1.14940757   7.22587458  -0.15428374
 H    2.85629653   5.38770407  -0.22223283
 H    1.97430392   2.21647386   1.63379899
 H    0.33141406   2.00670397   1.05601630
 H    1.23044123   2.11731692  -1.29918916
 H    2.76222620   2.68076743  -0.63020954
 H    3.79985418  -2.03605621   1.09941773
 H   -2.83321100  -1.14658309  -0.69271252
 H   -4.59346160  -1.27333836   1.02808506
 H   -4.28392832  -2.72701178   3.01389234
 H   -2.19770006  -4.05325785   3.25056987
 H   -0.45997126  -3.92173009   1.51920302
 H   -0.84455489  -1.89572861  -1.60651554
 H    1.20060761  -6.08248616  -1.66184640
 H    2.67954150  -5.64335419  -0.93321758
 H    4.70134201   0.02241640   1.81513511
 H    4.10875847   1.46968256   0.98381714
 H    3.49076592   1.05452808   2.58769653
 N   -1.42988079  -5.26071745  -2.71175806
 54
 Energy -1369.99338298  Point 7,9,14,20,27,34  Symmetry C1  Ellips 4.47_4.19_2.04
 C    0.65307803   7.59130878   0.17906753
 C   -0.56420459   7.27530889  -0.37594326
 C    1.11268089   5.27054564   0.69710729
 C    1.49055116   6.59238070   0.71576991
 C   -0.12030675   4.92481878   0.13397331
 C   -0.94154265   5.93053678  -0.39264161
 N   -2.08209532   5.33377968  -0.87432746
 C   -0.81127868   3.67323078  -0.04556901
 C   -1.98357351   3.97808689  -0.66128734
 C    0.69720772   1.80906577  -0.68868612
 C   -0.30572304   2.32109088   0.32124754
 N    1.14212808   0.45741004  -0.36938677
 C    2.29029757   0.22330744   0.34181120
 C    2.65759961  -1.04486896   0.64733204
 C    0.27103548  -0.55939014  -0.79422302
 C   -1.43593142  -2.99391752   0.11671835
 C   -2.67883352  -2.59543529  -0.34994928
 C   -3.76646824  -2.53103312   0.51055737
 C   -3.61594504  -2.86528070   1.84818623
 C   -2.37077895  -3.26134590   2.32200684
 C   -1.29087531  -3.32223416   1.45822086
 C    0.67734570  -1.90872356  -0.45045067
 C    1.82098655  -2.11538477   0.23021112
 O    2.23248561  -3.36090221   0.56053239
 C    1.64105760  -4.43471370   0.00167669
 C    0.49654840  -4.32493357  -0.70526154
 C   -0.24176430  -3.02750040  -0.80410351
 O   -0.74611072  -0.28861696  -1.39208776
 N    2.32183596  -5.59554757   0.27300514
 C   -0.06755685  -5.50115962  -1.30498808
 C    3.12558384   1.39502547   0.76295169
 H    0.97608684   8.62840206   0.20659310
 H   -1.21865285   8.03351469  -0.79032588
 H    1.75438096   4.50391567   1.11494269
 H    2.44477855   6.87670808   1.14954171
 H   -2.85119883   5.80249766  -1.31354693
 H   -2.77806157   3.31488999  -0.97416096
 H    0.23840118   1.77309037  -1.67191953
 H    1.56076231   2.46458022  -0.74612454
 H    0.15629525   2.35368670   1.31060551
 H   -1.13488377   1.61618439   0.36056761
 H    3.55825947  -1.26469159   1.19677689
 H   -2.79700928  -2.31671598  -1.38977631
 H   -4.73447310  -2.21700384   0.13080040
 H   -4.46619499  -2.81705469   2.52252597
 H   -2.24052903  -3.52396042   3.36789689
 H   -0.32503442  -3.62895927   1.83374573
 H   -0.59752912  -2.88114086  -1.82649767
 H    2.04456963  -6.39533483  -0.27600252
 H    3.31514176  -5.47459736   0.39368022
 H    3.51849289   1.92346885  -0.10691745
 H    2.53861479   2.09698044   1.35396485
 H    3.96463576   1.04815056   1.36344968
 N   -0.49417967  -6.46286695  -1.78279439
 54
 Energy -1369.99316337  Point 3,8,11,16,17,23,24,25,26,29,30,32,35  Symmetry C1  Ellips 4.52_4.32_2.05
 C    0.28983974   7.66743506   0.69103360
 C   -0.83251360   7.36331956  -0.04210118
 C    1.15816543   5.41954777   0.44911478
 C    1.28448921   6.69903722   0.93624983
 C    0.02258270   5.08604060  -0.29664073
 C   -0.95510618   6.06143369  -0.53314542
 N   -1.95170859   5.48542369  -1.28414922
 C   -0.41908541   3.87522644  -0.94092431
 C   -1.61438409   4.17172205  -1.51512417
 C    0.05945608   1.83303153   0.38663799
 C    0.27555729   2.55767960  -0.92340821
 N    0.68387510   0.51503740   0.38768671
 C    1.93787990   0.31025452   0.90247385
 C    2.49576656  -0.92424753   0.87060879
 C   -0.07891862  -0.49434798  -0.22254909
 C   -1.36284972  -3.30015133   0.23832496
 C   -2.68562800  -2.97214574  -0.01580638
 C   -3.67412702  -3.26175263   0.91503987
 C   -3.34354492  -3.88279944   2.11033472
 C   -2.01818500  -4.20945654   2.37192129
 C   -1.03782765  -3.91643713   1.43958074
 C    0.52210549  -1.81474198  -0.21773361
 C    1.75270314  -1.99285342   0.29949710
 O    2.35235393  -3.20549315   0.29738511
 C    1.84337572  -4.20556394  -0.44812340
 C    0.62339720  -4.11370634  -1.01821691
 C   -0.28023856  -2.95152818  -0.75240322
 O   -1.15984995  -0.24218529  -0.70583269
 N    2.69101307  -5.28368389  -0.50934690
 C    0.15082263  -5.19881214  -1.83098915
 C    2.66849937   1.47596041   1.49849217
 H    0.41464945   8.67127953   1.08773414
 H   -1.60389648   8.09869409  -0.23978790
 H    1.92581471   4.67734619   0.63321725
 H    2.16037720   6.97335987   1.51686771
 H   -2.78543016   5.94018811  -1.60390787
 H   -2.27057392   3.52974100  -2.08628075
 H    0.44808562   2.41141978   1.21926570
 H   -1.00364823   1.68497009   0.54944720
 H   -0.10858385   1.92804828  -1.72461929
 H    1.34568191   2.70056420  -1.08991215
 H    3.48081291  -1.11886792   1.26201378
 H   -2.94556325  -2.47134864  -0.94023006
 H   -4.70627687  -2.99834642   0.70256857
 H   -4.11591744  -4.11164252   2.83907006
 H   -1.74719272  -4.69426662   3.30538020
 H   -0.00897905  -4.17121368   1.65063441
 H   -0.75998152  -2.63577209  -1.68159426
 H    2.45804814  -5.97529202  -1.20600457
 H    3.66831906  -5.04671864  -0.44195898
 H    2.75621826   2.28854340   0.77850539
 H    2.14440185   1.85218438   2.37832501
 H    3.66745470   1.16543014   1.79946823
 N   -0.19980106  -6.08361520  -2.48625957
