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 Energy:   -1209.775535419484    
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 Energy:   -1209.802398816426    
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          178
 Energy:   -1209.896069830291    
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     C             3.43259            -4.30430             7.78344
     C             4.30686            -3.43451             8.49094
     C             4.96022            -2.38869             7.78345
     C             5.37051            -1.22575             8.49101
     C             5.49968             0.00005            10.61729
     C             5.36338             1.22377             9.90594
     C             4.95560             2.38516            10.61673
     C             4.30138             3.42949             9.90585
     C             3.42896             4.29994            10.61290
     C             2.38688             4.95646             9.90503
     C             1.22381             5.36188            10.61325
     C             0.00000             5.50124             9.90511
     C            -1.22381             5.36188            10.61326
     C            -2.38690             4.95645             9.90511
     C            -3.42905             4.29989            10.61327
     C            -4.30105             3.42997             9.90511
     C            -4.95512             2.38626            10.61326
     C            -5.36332             1.22414             9.90511
     C            -5.49977             0.00000            10.61326
     C            -5.36332            -1.22414             9.90511
     C            -4.95512            -2.38626            10.61326
     C            -4.30105            -3.42997             9.90511
     C            -3.42905            -4.29990            10.61326
     C            -2.38690            -4.95645             9.90511
     C            -1.22381            -5.36188            10.61326
     C             0.00000            -5.50124             9.90511
     C             1.22381            -5.36188            10.61326
     C             2.38691            -4.95644             9.90510
     C             3.42904            -4.29988            10.61322
     C             4.30134            -3.42954             9.90576
     C             4.95548            -2.38535            10.61619
     C             5.36337            -1.22377             9.90589
     C             5.49976            -0.00047            12.03806
     C             5.36306             1.21865            12.76098
     C             4.95719             2.38006            12.03695
     C             4.30043             3.43030            12.73458
     C             3.42866             4.30013            12.02761
     C             2.38687             4.95651            12.73677
     C             1.22376             5.36190            12.02871
     C            -0.00001             5.50125            12.73690
     C            -1.22381             5.36188            12.02874
     C            -2.38690             4.95645            12.73689
     C            -3.42905             4.29989            12.02873
     C            -4.30105             3.42997            12.73689
     C            -4.95512             2.38626            12.02874
     C            -5.36332             1.22414            12.73689
     C            -5.49977             0.00000            12.02874
     C            -5.36332            -1.22414            12.73689
     C            -4.95512            -2.38626            12.02874
     C            -4.30105            -3.42997            12.73689
     C            -3.42905            -4.29989            12.02873
     C            -2.38690            -4.95645            12.73689
     C            -1.22381            -5.36188            12.02874
     C             0.00000            -5.50124            12.73689
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     C             4.30093            -3.42968            12.73671
     C             4.95663            -2.38130            12.03517
     C             5.36233            -1.22151            12.75586
     C             5.52436            -0.01202            14.87822
     C             5.37079             1.21180            14.17928
     C             4.95344             2.38952            14.86087
     C             4.30367             3.43831            14.14804
     C             3.43095             4.30698            14.85828
     C             2.38900             4.96410            14.15101
     C             1.22471             5.36756            14.85866
     C            -0.00009             5.50864            14.15123
     C            -1.22509             5.36739            14.85859
     C            -2.39011             4.96310            14.15123
     C            -3.43257             4.30431            14.85859
     C            -4.30682             3.43457            14.15123
     C            -4.96021             2.38871            14.85858
     C            -5.37051             1.22578            14.15123
     C            -5.50542             0.00000            14.85859
     C            -5.37051            -1.22578            14.15123
     C            -4.96021            -2.38872            14.85858
     C            -4.30682            -3.43457            14.15123
     C            -3.43257            -4.30431            14.85859
     C            -2.39010            -4.96310            14.15123
     C            -1.22507            -5.36739            14.85859
     C            -0.00001            -5.50862            14.15123
     C             1.22503            -5.36741            14.85859
     C             2.38992            -4.96324            14.15115
     C             3.43232            -4.30478            14.85829
     C             4.30634            -3.43545            14.15057
     C             4.95897            -2.39305            14.86286
     C             5.37125            -1.22753            14.17001
     C             5.55471            -0.00347            16.30809
     C             5.46717             1.24549            16.93763
     C             4.93045             2.37438            16.27350
     C             4.27848             3.41198            16.98100
     C             3.41198             4.27848            16.27350
     C             2.37438             4.93045            16.98100
     C             1.21772             5.33518            16.27350
     C             0.00000             5.47239            16.98100
     C            -1.21772             5.33518            16.27350
     C            -2.37438             4.93045            16.98100
     C            -3.41198             4.27848            16.27350
     C            -4.27848             3.41198            16.98100
     C            -4.93045             2.37438            16.27350
     C            -5.33518             1.21772            16.98100
     C            -5.47239             0.00000            16.27350
     C            -5.33518            -1.21772            16.98100
     C            -4.93045            -2.37438            16.27350
     C            -4.27848            -3.41198            16.98100
     C            -3.41198            -4.27848            16.27350
     C            -2.37438            -4.93045            16.98100
     C            -1.21772            -5.33518            16.27350
     C             0.00000            -5.47239            16.98100
     C             1.21772            -5.33518            16.27350
     C             2.37438            -4.93045            16.98100
     C             3.41198            -4.27848            16.27350
     C             4.27848            -3.41198            16.98100
     C             4.93045            -2.37438            16.27350
     C             5.33518            -1.21772            16.98100
     C            11.62938             0.00000            10.61839
     C            11.62938             0.00000            12.02361
     C            12.83775             0.00000             9.83669
     H            12.82570             0.00000             8.73050
     C            14.01812             0.00000            10.61284
     H            14.99632             0.00000            10.09671
     C            14.01812             0.00000            12.02916
     H            14.99632             0.00000            12.54529
     C            12.83775             0.00000            12.80531
     H            12.82570             0.00000            13.91150
          178
 Energy:   -1209.999390383344    
     C             5.47239             0.00000             6.36850
     C             5.33518             1.21772             5.66100
     C             4.93045             2.37438             6.36850
     C             4.27848             3.41198             5.66100
     C             3.41198             4.27848             6.36850
     C             2.37438             4.93045             5.66100
     C             1.21772             5.33518             6.36850
     C             0.00000             5.47239             5.66100
     C            -1.21772             5.33518             6.36850
     C            -2.37438             4.93045             5.66100
     C            -3.41198             4.27848             6.36850
     C            -4.27848             3.41198             5.66100
     C            -4.93045             2.37438             6.36850
     C            -5.33518             1.21772             5.66100
     C            -5.47239             0.00000             6.36850
     C            -5.33518            -1.21772             5.66100
     C            -4.93045            -2.37438             6.36850
     C            -4.27848            -3.41198             5.66100
     C            -3.41198            -4.27848             6.36850
     C            -2.37438            -4.93045             5.66100
     C            -1.21772            -5.33518             6.36850
     C             0.00000            -5.47239             5.66100
     C             1.21772            -5.33518             6.36850
     C             2.37438            -4.93045             5.66100
     C             3.41198            -4.27848             6.36850
     C             4.27848            -3.41198             5.66100
     C             4.93045            -2.37438             6.36850
     C             5.33518            -1.21772             5.66100
     C             5.51953             0.00003             7.78558
     C             5.39206             1.23038             8.49212
     C             4.97311             2.39448             7.78556
     C             4.32464             3.44770             8.49110
     C             3.44170             4.31508             7.78538
     C             2.39966             4.98309             8.48877
     C             1.22820             5.38119             7.78483
     C             0.00000             5.53080             8.48899
     C            -1.22822             5.38118             7.78488
     C            -2.39972             4.98307             8.48901
     C            -3.44140             4.31537             7.78488
     C            -4.32415             3.44840             8.48900
     C            -4.97297             2.39485             7.78488
     C            -5.39213             1.23072             8.48900
     C            -5.51958             0.00000             7.78488
     C            -5.39213            -1.23072             8.48900
     C            -4.97297            -2.39485             7.78488
     C            -4.32415            -3.44840             8.48900
     C            -3.44140            -4.31537             7.78488
     C            -2.39972            -4.98308             8.48901
     C            -1.22822            -5.38118             7.78488
     C             0.00000            -5.53080             8.48900
     C             1.22823            -5.38118             7.78487
     C             2.39973            -4.98306             8.48899
     C             3.44166            -4.31512             7.78532
     C             4.32453            -3.44784             8.49081
     C             4.97310            -2.39451             7.78553
     C             5.39209            -1.23031             8.49191
     C             5.51673             0.00012            10.62943
     C             5.38411             1.22651             9.91499
     C             4.97188             2.38973            10.62490
     C             4.31980             3.43943             9.91288
     C             3.43964             4.31300            10.61069
     C             2.39583             4.97542             9.90778
     C             1.22762             5.37857            10.61200
     C            -0.00003             5.52224             9.90836
     C            -1.22763             5.37856            10.61217
     C            -2.39601             4.97536             9.90838
     C            -3.43972             4.31327            10.61217
     C            -4.31745             3.44306             9.90838
     C            -4.97054             2.39368            10.61218
     C            -5.38378             1.22881             9.90838
     C            -5.51688             0.00000            10.61217
     C            -5.38378            -1.22881             9.90838
     C            -4.97054            -2.39368            10.61218
     C            -4.31745            -3.44306             9.90838
     C            -3.43972            -4.31327            10.61217
     C            -2.39601            -4.97536             9.90838
     C            -1.22762            -5.37856            10.61217
     C             0.00000            -5.52223             9.90837
     C             1.22767            -5.37854            10.61211
     C             2.39615            -4.97524             9.90829
     C             3.43990            -4.31280            10.61203
     C             4.31926            -3.44021             9.91201
     C             4.97120            -2.39090            10.62171
     C             5.38405            -1.22645             9.91461
     C             5.51693            -0.00128            12.05185
     C             5.38037             1.22415            12.75271
     C             4.97288             2.38268            12.04420
     C             4.31754             3.44060            12.73518
     C             3.43967             4.31274            12.02827
     C             2.39584             4.97567            12.73258
     C             1.22727             5.37867            12.02951
     C            -0.00012             5.52226            12.73364
     C            -1.22766             5.37856            12.02981
     C            -2.39602             4.97536            12.73362
     C            -3.43972             4.31327            12.02983
     C            -4.31745             3.44306            12.73362
     C            -4.97054             2.39368            12.02982
     C            -5.38378             1.22881            12.73362
     C            -5.51688             0.00000            12.02983
     C            -5.38378            -1.22881            12.73362
     C            -4.97054            -2.39368            12.02982
     C            -4.31745            -3.44306            12.73362
     C            -3.43972            -4.31327            12.02983
     C            -2.39601            -4.97536            12.73362
     C            -1.22762            -5.37856            12.02983
     C             0.00002            -5.52223            12.73362
     C             1.22767            -5.37853            12.02973
     C             2.39633            -4.97512            12.73317
     C             3.44036            -4.31199            12.02967
     C             4.31761            -3.44111            12.73561
     C             4.97080            -2.38789            12.03899
     C             5.38046            -1.23079            12.74623
     C             5.56527            -0.00846            14.87519
     C             5.38997             1.23006            14.16563
     C             4.95532             2.38660            14.86016
     C             4.32196             3.44380            14.15645
     C             3.44085             4.31855            14.85661
     C             2.39779             4.98586            14.15190
     C             1.22666             5.38218            14.85734
     C            -0.00078             5.53100            14.15292
     C            -1.22849             5.38118            14.85716
     C            -2.39979             4.98306            14.15299
     C            -3.44141             4.31537            14.85712
     C            -4.32415             3.44840            14.15300
     C            -4.97297             2.39485            14.85712
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     C            -4.97297            -2.39485            14.85712
     C            -4.32415            -3.44840            14.15300
     C            -3.44140            -4.31537            14.85712
     C            -2.39973            -4.98307            14.15299
     C            -1.22826            -5.38118            14.85712
     C            -0.00012            -5.53082            14.15299
     C             1.22795            -5.38134            14.85711
     C             2.39915            -4.98368            14.15256
     C             3.44047            -4.31708            14.85721
     C             4.32343            -3.45076            14.15523
     C             4.97084            -2.40293            14.86250
     C             5.39576            -1.24282            14.16238
     C             5.60688             0.00170            16.31558
     C             5.53748             1.27301            16.93638
     C             4.93045             2.37438            16.27350
     C             4.27848             3.41198            16.98100
     C             3.41198             4.27848            16.27350
     C             2.37438             4.93045            16.98100
     C             1.21772             5.33518            16.27350
     C             0.00000             5.47239            16.98100
     C            -1.21772             5.33518            16.27350
     C            -2.37438             4.93045            16.98100
     C            -3.41198             4.27848            16.27350
     C            -4.27848             3.41198            16.98100
     C            -4.93045             2.37438            16.27350
     C            -5.33518             1.21772            16.98100
     C            -5.47239             0.00000            16.27350
     C            -5.33518            -1.21772            16.98100
     C            -4.93045            -2.37438            16.27350
     C            -4.27848            -3.41198            16.98100
     C            -3.41198            -4.27848            16.27350
     C            -2.37438            -4.93045            16.98100
     C            -1.21772            -5.33518            16.27350
     C             0.00000            -5.47239            16.98100
     C             1.21772            -5.33518            16.27350
     C             2.37438            -4.93045            16.98100
     C             3.41198            -4.27848            16.27350
     C             4.27848            -3.41198            16.98100
     C             4.93045            -2.37438            16.27350
     C             5.33518            -1.21772            16.98100
     C            11.31827             0.00000            10.62734
     C            11.31827             0.00000            12.01466
     C            12.53187             0.00000             9.88750
     H            12.54084             0.00000             8.78131
     C            13.73362             0.00000            10.61308
     H            14.69906             0.00000            10.06388
     C            13.73362             0.00000            12.02892
     H            14.69906             0.00000            12.57812
     C            12.53187             0.00000            12.75450
     H            12.54084             0.00000            13.86069
          178
 Energy:   -1209.806432767102    
     C             5.47239             0.00000             6.36850
     C             5.33518             1.21772             5.66100
     C             4.93045             2.37438             6.36850
     C             4.27848             3.41198             5.66100
     C             3.41198             4.27848             6.36850
     C             2.37438             4.93045             5.66100
     C             1.21772             5.33518             6.36850
     C             0.00000             5.47239             5.66100
     C            -1.21772             5.33518             6.36850
     C            -2.37438             4.93045             5.66100
     C            -3.41198             4.27848             6.36850
     C            -4.27848             3.41198             5.66100
     C            -4.93045             2.37438             6.36850
     C            -5.33518             1.21772             5.66100
     C            -5.47239             0.00000             6.36850
     C            -5.33518            -1.21772             5.66100
     C            -4.93045            -2.37438             6.36850
     C            -4.27848            -3.41198             5.66100
     C            -3.41198            -4.27848             6.36850
     C            -2.37438            -4.93045             5.66100
     C            -1.21772            -5.33518             6.36850
     C             0.00000            -5.47239             5.66100
     C             1.21772            -5.33518             6.36850
     C             2.37438            -4.93045             5.66100
     C             3.41198            -4.27848             6.36850
     C             4.27848            -3.41198             5.66100
     C             4.93045            -2.37438             6.36850
     C             5.33518            -1.21772             5.66100
     C             5.53232             0.00021             7.78986
     C             5.40871             1.23302             8.50205
     C             4.98556             2.39819             7.78938
     C             4.33915             3.45664             8.49686
     C             3.45124             4.32375             7.78785
     C             2.40741             4.99848             8.48964
     C             1.23107             5.39385             7.78540
     C            -0.00002             5.54815             8.49011
     C            -1.23114             5.39386             7.78564
     C            -2.40725             4.99870             8.49024
     C            -3.44950             4.32554             7.78566
     C            -4.33772             3.45921             8.49024
     C            -4.98468             2.40050             7.78566
     C            -5.40904             1.23458             8.49024
     C            -5.53259             0.00000             7.78566
     C            -5.40904            -1.23458             8.49024
     C            -4.98468            -2.40050             7.78566
     C            -4.33772            -3.45921             8.49024
     C            -3.44950            -4.32554             7.78566
     C            -2.40725            -4.99870             8.49024
     C            -1.23111            -5.39386             7.78565
     C             0.00003            -5.54814             8.49021
     C             1.23126            -5.39379             7.78565
     C             2.40755            -4.99840             8.49035
     C             3.45087            -4.32412             7.78742
     C             4.33869            -3.45729             8.49528
     C             4.98546            -2.39830             7.78916
     C             5.40878            -1.23277             8.50113
     C             5.53728            -0.00088            10.63049
     C             5.40677             1.22860             9.92359
     C             4.98866             2.39792            10.62291
     C             4.33902             3.44980             9.91549
     C             3.45374             4.32569            10.61310
     C             2.40662             4.99493             9.90756
     C             1.23207             5.39786            10.61076
     C            -0.00017             5.54484             9.90767
     C            -1.23207             5.39789            10.61160
     C            -2.40582             4.99570             9.90790
     C            -3.45209             4.32877            10.61164
     C            -4.33511             3.45713             9.90790
     C            -4.98841             2.40229            10.61164
     C            -5.40579             1.23384             9.90791
     C            -5.53672             0.00000            10.61164
     C            -5.40579            -1.23384             9.90791
     C            -4.98841            -2.40229            10.61164
     C            -4.33511            -3.45713             9.90791
     C            -3.45208            -4.32878            10.61165
     C            -2.40580            -4.99571             9.90791
     C            -1.23200            -5.39790            10.61164
     C             0.00009            -5.54480             9.90786
     C             1.23240            -5.39770            10.61134
     C             2.40690            -4.99475             9.90826
     C             3.45337            -4.32620            10.61305
     C             4.33750            -3.45221             9.91295
     C             4.98765            -2.39951            10.61805
     C             5.40644            -1.22877             9.92197
     C             5.53635            -0.00424            12.04194
     C             5.40070             1.22972            12.73934
     C             4.98307             2.40214            12.03815
     C             4.33296             3.45237            12.74356
     C             3.45530             4.32436            12.03388
     C             2.40642             4.99581            12.73250
     C             1.23154             5.39802            12.02933
     C            -0.00041             5.54496            12.73382
     C            -1.23231             5.39787            12.03022
     C            -2.40591             4.99568            12.73409
     C            -3.45211             4.32876            12.03034
     C            -4.33512             3.45712            12.73409
     C            -4.98841             2.40229            12.03036
     C            -5.40579             1.23384            12.73409
     C            -5.53671             0.00000            12.03036
     C            -5.40579            -1.23384            12.73409
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          178
 Energy:   -1209.685169370131    
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          178
 Energy:   -1209.804192715250    
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          178
 Energy:   -1209.708843287749    
     C             5.47239             0.00000             6.36850
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     C            -2.40290            -4.99286             9.91379
     C            -1.23628            -5.41427            10.61207
     C            -0.00360            -5.54170             9.90947
     C             1.23433            -5.41802            10.60976
     C             2.40369            -4.99379             9.90586
     C             3.45921            -4.33722            10.61028
     C             4.33134            -3.45178             9.91218
     C             5.00835            -2.41109            10.61088
     C             5.40287            -1.23767             9.90633
     C             5.59905            -0.01314            12.04044
     C             5.42094             1.21544            12.74289
     C             4.98160             2.37662            12.03674
     C             4.29898             3.41529            12.73438
     C             3.43832             4.30975            12.03224
     C             2.39091             4.97452            12.73277
     C             1.23503             5.42420            12.03133
     C            -0.00186             5.55750            12.73060
     C            -1.23863             5.42005            12.02988
     C            -2.40512             4.99462            12.73154
     C            -3.46459             4.34242            12.03327
     C            -4.33463             3.45370            12.73247
     C            -5.00545             2.40865            12.03000
     C            -5.40268             1.23236            12.73130
     C            -5.55444             0.00012            12.03058
     C            -5.40249            -1.23294            12.73135
     C            -5.00414            -2.41069            12.03171
     C            -4.33140            -3.45598            12.73190
     C            -3.46203            -4.34329            12.03269
     C            -2.40457            -4.99200            12.73263
     C            -1.23845            -5.41529            12.03081
     C            -0.00184            -5.54399            12.73309
     C             1.23745            -5.41540            12.03293
     C             2.40481            -4.97859            12.73050
     C             3.46232            -4.32812            12.03108
     C             4.34399            -3.45486            12.73458
     C             5.03103            -2.41850            12.03252
     C             5.46327            -1.25200            12.73926
     C             5.55538            -0.01136            14.87867
     C             5.41077             1.21393            14.16278
     C             4.95897             2.37331            14.86086
     C             4.28847             3.40617            14.15140
     C             3.41819             4.27822            14.85677
     C             2.38304             4.94854            14.15146
     C             1.21922             5.36260            14.85886
     C            -0.00122             5.52717            14.14894
     C            -1.22259             5.37179            14.85668
     C            -2.39119             4.97378            14.15052
     C            -3.43042             4.30348            14.85676
     C            -4.31331             3.43807            14.15125
     C            -4.95875             2.38612            14.85764
     C            -5.37724             1.22612            14.14972
     C            -5.50223            -0.00067            14.85741
     C            -5.37666            -1.22737            14.14997
     C            -4.95733            -2.38703            14.85742
     C            -4.31206            -3.43824            14.15038
     C            -3.43076            -4.30169            14.85744
     C            -2.39238            -4.96943            14.15056
     C            -1.22333            -5.36557            14.85764
     C             0.00245            -5.51439            14.15219
     C             1.22925            -5.35622            14.85614
     C             2.39614            -4.95150            14.14899
     C             3.43353            -4.29312            14.86083
     C             4.32363            -3.44019            14.15435
     C             4.98302            -2.39506            14.86065
     C             5.44121            -1.23857            14.16423
     C             5.51034            -0.00261            16.30756
     C             5.36077             1.23305            16.93195
     C             4.93045             2.37438            16.27350
     C             4.27848             3.41198            16.98100
     C             3.41198             4.27848            16.27350
     C             2.37438             4.93045            16.98100
     C             1.21772             5.33518            16.27350
     C             0.00000             5.47239            16.98100
     C            -1.21772             5.33518            16.27350
     C            -2.37438             4.93045            16.98100
     C            -3.41198             4.27848            16.27350
     C            -4.27848             3.41198            16.98100
     C            -4.93045             2.37438            16.27350
     C            -5.33518             1.21772            16.98100
     C            -5.47239             0.00000            16.27350
     C            -5.33518            -1.21772            16.98100
     C            -4.93045            -2.37438            16.27350
     C            -4.27848            -3.41198            16.98100
     C            -3.41198            -4.27848            16.27350
     C            -2.37438            -4.93045            16.98100
     C            -1.21772            -5.33518            16.27350
     C             0.00000            -5.47239            16.98100
     C             1.21772            -5.33518            16.27350
     C             2.37438            -4.93045            16.98100
     C             3.41198            -4.27848            16.27350
     C             4.27848            -3.41198            16.98100
     C             4.93045            -2.37438            16.27350
     C             5.33518            -1.21772            16.98100
     C             8.95623             0.00000            10.64182
     C             8.95623             0.00000            12.00018
     C            10.13710             0.00000             9.91082
     H            10.12372             0.00000             8.81023
     C            11.29485             0.00000            10.62896
     H            12.26306             0.00000            10.09777
     C            11.29485             0.00000            12.01304
     H            12.26306             0.00000            12.54423
     C            10.13710             0.00000            12.73118
     H            10.12372             0.00000            13.83177
          178
 Energy:   -1209.860572910784    
     C             5.47239             0.00000             6.36850
     C             5.33518             1.21772             5.66100
     C             4.93045             2.37438             6.36850
     C             4.27848             3.41198             5.66100
     C             3.41198             4.27848             6.36850
     C             2.37438             4.93045             5.66100
     C             1.21772             5.33518             6.36850
     C             0.00000             5.47239             5.66100
     C            -1.21772             5.33518             6.36850
     C            -2.37438             4.93045             5.66100
     C            -3.41198             4.27848             6.36850
     C            -4.27848             3.41198             5.66100
     C            -4.93045             2.37438             6.36850
     C            -5.33518             1.21772             5.66100
     C            -5.47239             0.00000             6.36850
     C            -5.33518            -1.21772             5.66100
     C            -4.93045            -2.37438             6.36850
     C            -4.27848            -3.41198             5.66100
     C            -3.41198            -4.27848             6.36850
     C            -2.37438            -4.93045             5.66100
     C            -1.21772            -5.33518             6.36850
     C             0.00000            -5.47239             5.66100
     C             1.21772            -5.33518             6.36850
     C             2.37438            -4.93045             5.66100
     C             3.41198            -4.27848             6.36850
     C             4.27848            -3.41198             5.66100
     C             4.93045            -2.37438             6.36850
     C             5.33518            -1.21772             5.66100
     C             5.49690            -0.00081             7.78086
     C             5.36658             1.22005             8.49608
     C             4.95463             2.38651             7.78945
     C             4.30201             3.43307             8.50103
     C             3.42986             4.30294             7.78863
     C             2.38643             4.96392             8.48811
     C             1.22299             5.36255             7.78345
     C             0.00037             5.50602             8.49013
     C            -1.22383             5.36181             7.78360
     C            -2.38856             4.96363             8.49320
     C            -3.43143             4.30259             7.78787
     C            -4.31055             3.43116             8.49068
     C            -4.95952             2.38291             7.78321
     C            -5.37012             1.22293             8.49034
     C            -5.50137            -0.00004             7.78368
     C            -5.37017            -1.22324             8.49168
     C            -4.95786            -2.38547             7.78590
     C            -4.30737            -3.43376             8.49343
     C            -3.43010            -4.30235             7.78706
     C            -2.38844            -4.96352             8.49158
     C            -1.22576            -5.36353             7.78130
     C             0.00035            -5.50843             8.48528
     C             1.22788            -5.36330             7.78388
     C             2.39123            -4.96303             8.48935
     C             3.43036            -4.30046             7.78726
     C             4.30240            -3.43553             8.49952
     C             4.95352            -2.38717             7.79071
     C             5.36734            -1.22162             8.49902
     C             5.54470            -0.00747            10.61721
     C             5.38113             1.20979             9.91175
     C             4.95903             2.36847            10.61530
     C             4.30295             3.41989             9.91683
     C             3.42880             4.29662            10.61530
     C             2.39149             4.97085             9.90516
     C             1.22872             5.39540            10.61462
     C            -0.00254             5.52533             9.90776
     C            -1.23464             5.38664            10.61145
     C            -2.39999             4.97094             9.90839
     C            -3.44728             4.31799            10.61473
     C            -4.31788             3.44074             9.90845
     C            -4.97948             2.39484            10.61309
     C            -5.38219             1.22629             9.90605
     C            -5.52458            -0.00052            10.61267
     C            -5.38152            -1.22835             9.90793
     C            -4.97733            -2.39715            10.61378
     C            -4.31533            -3.44225             9.91002
     C            -3.44470            -4.31860            10.61424
     C            -2.39818            -4.97204             9.90708
     C            -1.23181            -5.38571            10.61211
     C             0.00001            -5.52263             9.90434
     C             1.23123            -5.38901            10.61240
     C             2.39628            -4.97194             9.90493
     C             3.44010            -4.31090            10.61337
     C             4.31540            -3.43809             9.91358
     C             4.99213            -2.39967            10.61185
     C             5.39340            -1.22760             9.91528
     C             5.57225            -0.01400            12.03081
     C             5.40544             1.21321            12.74142
     C             4.95919             2.36815            12.03049
     C             4.28755             3.40542            12.73955
     C             3.41772             4.28091            12.03076
     C             2.37738             4.94403            12.73697
     C             1.22351             5.39056            12.03227
     C            -0.00481             5.53687            12.73556
     C            -1.23085             5.39516            12.02826
     C            -2.39488             4.97719            12.73385
     C            -3.44528             4.31952            12.03094
     C            -4.31702             3.44170            12.73586
     C            -4.97885             2.39601            12.03059
     C            -5.38261             1.22615            12.73493
     C            -5.52449            -0.00183            12.02875
     C            -5.38094            -1.22924            12.73453
     C            -4.97701            -2.39706            12.02996
     C            -4.31610            -3.44017            12.73557
     C            -3.44634            -4.31755            12.02988
     C            -2.39712            -4.97266            12.73635
     C            -1.22928            -5.38745            12.03138
     C             0.00316            -5.52163            12.73485
     C             1.23232            -5.38002            12.02988
     C             2.39252            -4.95142            12.73373
     C             3.44464            -4.30560            12.02823
     C             4.33288            -3.44656            12.73932
     C             5.01200            -2.41059            12.02991
     C             5.43980            -1.24508            12.74165
     C             5.53101            -0.01209            14.89209
     C             5.39029             1.21529            14.16807
     C             4.96107             2.38340            14.85795
     C             4.29461             3.41608            14.15631
     C             3.41958             4.28604            14.86115
     C             2.37736             4.93527            14.15035
     C             1.22174             5.35576            14.85422
     C            -0.00476             5.51771            14.15256
     C            -1.22850             5.36993            14.86026
     C            -2.38869             4.96704            14.14978
     C            -3.42655             4.30404            14.85613
     C            -4.30508             3.43596            14.15240
     C            -4.95714             2.38724            14.85731
     C            -5.37020             1.22467            14.15131
     C            -5.50165            -0.00093            14.85738
     C            -5.36937            -1.22591            14.15058
     C            -4.95653            -2.38689            14.85743
     C            -4.30559            -3.43397            14.15142
     C            -3.42930            -4.30165            14.85738
     C            -2.38810            -4.96276            14.15282
     C            -1.22191            -5.36398            14.85817
     C             0.00374            -5.50418            14.15168
     C             1.22704            -5.35105            14.85659
     C             2.38738            -4.94614            14.14833
     C             3.43093            -4.29909            14.85844
     C             4.31971            -3.43822            14.15793
     C             4.97562            -2.39303            14.86057
     C             5.41102            -1.23439            14.16385
     C             5.49784            -0.01008            16.31567
     C             5.36999             1.22405            16.93544
     C             4.93045             2.37438            16.27350
     C             4.27848             3.41198            16.98100
     C             3.41198             4.27848            16.27350
     C             2.37438             4.93045            16.98100
     C             1.21772             5.33518            16.27350
     C             0.00000             5.47239            16.98100
     C            -1.21772             5.33518            16.27350
     C            -2.37438             4.93045            16.98100
     C            -3.41198             4.27848            16.27350
     C            -4.27848             3.41198            16.98100
     C            -4.93045             2.37438            16.27350
     C            -5.33518             1.21772            16.98100
     C            -5.47239             0.00000            16.27350
     C            -5.33518            -1.21772            16.98100
     C            -4.93045            -2.37438            16.27350
     C            -4.27848            -3.41198            16.98100
     C            -3.41198            -4.27848            16.27350
     C            -2.37438            -4.93045            16.98100
     C            -1.21772            -5.33518            16.27350
     C             0.00000            -5.47239            16.98100
     C             1.21772            -5.33518            16.27350
     C             2.37438            -4.93045            16.98100
     C             3.41198            -4.27848            16.27350
     C             4.27848            -3.41198            16.98100
     C             4.93045            -2.37438            16.27350
     C             5.33518            -1.21772            16.98100
     C             8.63640             0.00000            10.61870
     C             8.63640             0.00000            12.02330
     C             9.83147             0.00000             9.83256
     H             9.84922             0.00000             8.72516
     C            11.01616             0.00000            10.61294
     H            11.98743             0.00000            10.08712
     C            11.01616             0.00000            12.02906
     H            11.98743             0.00000            12.55488
     C             9.83147             0.00000            12.80944
     H             9.84922             0.00000            13.91684
          178
 Energy:   -1209.943412503799    
     C             5.47239             0.00000             6.36850
     C             5.33518             1.21772             5.66100
     C             4.93045             2.37438             6.36850
     C             4.27848             3.41198             5.66100
     C             3.41198             4.27848             6.36850
     C             2.37438             4.93045             5.66100
     C             1.21772             5.33518             6.36850
     C             0.00000             5.47239             5.66100
     C            -1.21772             5.33518             6.36850
     C            -2.37438             4.93045             5.66100
     C            -3.41198             4.27848             6.36850
     C            -4.27848             3.41198             5.66100
     C            -4.93045             2.37438             6.36850
     C            -5.33518             1.21772             5.66100
     C            -5.47239             0.00000             6.36850
     C            -5.33518            -1.21772             5.66100
     C            -4.93045            -2.37438             6.36850
     C            -4.27848            -3.41198             5.66100
     C            -3.41198            -4.27848             6.36850
     C            -2.37438            -4.93045             5.66100
     C            -1.21772            -5.33518             6.36850
     C             0.00000            -5.47239             5.66100
     C             1.21772            -5.33518             6.36850
     C             2.37438            -4.93045             5.66100
     C             3.41198            -4.27848             6.36850
     C             4.27848            -3.41198             5.66100
     C             4.93045            -2.37438             6.36850
     C             5.33518            -1.21772             5.66100
     C             5.49402            -0.00283             7.78618
     C             5.36132             1.21868             8.49362
     C             4.95494             2.38247             7.78905
     C             4.29879             3.42518             8.49468
     C             3.43250             4.30251             7.78673
     C             2.38846             4.96157             8.49621
     C             1.22236             5.36545             7.78447
     C            -0.00480             5.50664             8.48969
     C            -1.22592             5.36101             7.78136
     C            -2.38734             4.95954             8.49042
     C            -3.42955             4.30316             7.78385
     C            -4.30480             3.43584             8.49276
     C            -4.95836             2.38870             7.78541
     C            -5.36956             1.22275             8.49008
     C            -5.50306            -0.00322             7.78258
     C            -5.36740            -1.22746             8.49129
     C            -4.95618            -2.38961             7.78456
     C            -4.30296            -3.43449             8.49128
     C            -3.43087            -4.30144             7.78121
     C            -2.38851            -4.96041             8.48642
     C            -1.22221            -5.36436             7.78241
     C             0.00107            -5.50730             8.48990
     C             1.22650            -5.36448             7.78433
     C             2.38979            -4.96156             8.49845
     C             3.43068            -4.30309             7.78650
     C             4.30251            -3.42912             8.49250
     C             4.95481            -2.38372             7.78794
     C             5.36590            -1.22443             8.49488
     C             5.52427            -0.00922            10.62155
     C             5.36501             1.21150             9.90941
     C             4.93079             2.35873            10.62163
     C             4.27869             3.40143             9.91092
     C             3.40346             4.26587            10.61826
     C             2.38310             4.94713             9.91149
     C             1.22348             5.36180            10.61337
     C             0.00082             5.50762             9.90583
     C            -1.22295             5.36244            10.61218
     C            -2.38813             4.95509             9.90702
     C            -3.42852             4.29310            10.61373
     C            -4.30380             3.42753             9.90830
     C            -4.95210             2.38212            10.61495
     C            -5.36313             1.22182             9.90713
     C            -5.49400            -0.00308            10.61344
     C            -5.36116            -1.22634             9.90680
     C            -4.94901            -2.38361            10.61391
     C            -4.30163            -3.42707             9.90624
     C            -3.42752            -4.29309            10.61334
     C            -2.38689            -4.95515             9.90463
     C            -1.22036            -5.35804            10.61185
     C             0.00276            -5.50312             9.90509
     C             1.22463            -5.35554            10.61022
     C             2.38736            -4.95037             9.91281
     C             3.42177            -4.28530            10.61751
     C             4.30245            -3.42402             9.91015
     C             4.97508            -2.39269            10.62463
     C             5.38343            -1.23294             9.91083
     C             5.53794            -0.01177            12.04075
     C             5.38493             1.20848            12.74994
     C             4.94240             2.35575            12.03990
     C             4.28102             3.39795            12.73676
     C             3.39835             4.25407            12.03224
     C             2.36437             4.91997            12.73562
     C             1.21395             5.35254            12.03011
     C            -0.00710             5.51321            12.73906
     C            -1.22824             5.36842            12.02846
     C            -2.38833             4.95985            12.73448
     C            -3.42463             4.29599            12.02953
     C            -4.29893             3.42992            12.73661
     C            -4.95063             2.38341            12.03143
     C            -5.36266             1.22244            12.73672
     C            -5.49370            -0.00143            12.02987
     C            -5.36132            -1.22426            12.73657
     C            -4.94979            -2.38253            12.02907
     C            -4.30076            -3.42711            12.73731
     C            -3.42547            -4.29425            12.03107
     C            -2.38448            -4.95603            12.73570
     C            -1.21997            -5.35755            12.02896
     C             0.00396            -5.49617            12.73419
     C             1.22253            -5.34328            12.02433
     C             2.37905            -4.93217            12.73495
     C             3.42817            -4.28318            12.03359
     C             4.32229            -3.43411            12.73578
     C             4.99258            -2.39520            12.04196
     C             5.40712            -1.23649            12.74528
     C             5.51214            -0.01257            14.87739
     C             5.37571             1.21223            14.16536
     C             4.96106             2.38683            14.85877
     C             4.30143             3.42905            14.14890
     C             3.42560             4.29183            14.85655
     C             2.37358             4.93244            14.15078
     C             1.21635             5.35336            14.86168
     C            -0.00453             5.51149            14.15477
     C            -1.22880             5.37040            14.85822
     C            -2.39250             4.96352            14.15072
     C            -3.42999             4.30136            14.86018
     C            -4.30169             3.43412            14.15189
     C            -4.95499             2.38945            14.85825
     C            -5.36720             1.22626            14.15264
     C            -5.50209             0.00002            14.85894
     C            -5.36691            -1.22570            14.15206
     C            -4.95634            -2.38794            14.85905
     C            -4.30271            -3.43281            14.15290
     C            -3.42909            -4.30159            14.85975
     C            -2.38735            -4.96010            14.15223
     C            -1.22154            -5.36223            14.85771
     C             0.00073            -5.49892            14.14940
     C             1.21978            -5.35250            14.86029
     C             2.38208            -4.94583            14.15099
     C             3.43582            -4.29965            14.85571
     C             4.31919            -3.43866            14.14939
     C             4.96741            -2.39478            14.86046
     C             5.38446            -1.23175            14.16094
     C             5.51564             0.00161            16.30945
     C             5.39713             1.24084            16.94730
     C             4.93045             2.37438            16.27350
     C             4.27848             3.41198            16.98100
     C             3.41198             4.27848            16.27350
     C             2.37438             4.93045            16.98100
     C             1.21772             5.33518            16.27350
     C             0.00000             5.47239            16.98100
     C            -1.21772             5.33518            16.27350
     C            -2.37438             4.93045            16.98100
     C            -3.41198             4.27848            16.27350
     C            -4.27848             3.41198            16.98100
     C            -4.93045             2.37438            16.27350
     C            -5.33518             1.21772            16.98100
     C            -5.47239             0.00000            16.27350
     C            -5.33518            -1.21772            16.98100
     C            -4.93045            -2.37438            16.27350
     C            -4.27848            -3.41198            16.98100
     C            -3.41198            -4.27848            16.27350
     C            -2.37438            -4.93045            16.98100
     C            -1.21772            -5.33518            16.27350
     C             0.00000            -5.47239            16.98100
     C             1.21772            -5.33518            16.27350
     C             2.37438            -4.93045            16.98100
     C             3.41198            -4.27848            16.27350
     C             4.27848            -3.41198            16.98100
     C             4.93045            -2.37438            16.27350
     C             5.33518            -1.21772            16.98100
     C             8.32861             0.00000            10.62495
     C             8.32861             0.00000            12.01705
     C             9.53829             0.00000             9.86638
     H             9.51240             0.00000             8.77249
     C            10.72048             0.00000            10.60901
     H            11.68405             0.00000            10.09485
     C            10.72048             0.00000            12.03299
     H            11.68405             0.00000            12.54715
     C             9.53829             0.00000            12.77562
     H             9.51240             0.00000            13.86951
          178
 Energy:   -1209.738720780532    
     C             5.47239             0.00000             6.36850
     C             5.33518             1.21772             5.66100
     C             4.93045             2.37438             6.36850
     C             4.27848             3.41198             5.66100
     C             3.41198             4.27848             6.36850
     C             2.37438             4.93045             5.66100
     C             1.21772             5.33518             6.36850
     C             0.00000             5.47239             5.66100
     C            -1.21772             5.33518             6.36850
     C            -2.37438             4.93045             5.66100
     C            -3.41198             4.27848             6.36850
     C            -4.27848             3.41198             5.66100
     C            -4.93045             2.37438             6.36850
     C            -5.33518             1.21772             5.66100
     C            -5.47239             0.00000             6.36850
     C            -5.33518            -1.21772             5.66100
     C            -4.93045            -2.37438             6.36850
     C            -4.27848            -3.41198             5.66100
     C            -3.41198            -4.27848             6.36850
     C            -2.37438            -4.93045             5.66100
     C            -1.21772            -5.33518             6.36850
     C             0.00000            -5.47239             5.66100
     C             1.21772            -5.33518             6.36850
     C             2.37438            -4.93045             5.66100
     C             3.41198            -4.27848             6.36850
     C             4.27848            -3.41198             5.66100
     C             4.93045            -2.37438             6.36850
     C             5.33518            -1.21772             5.66100
     C             5.49707            -0.00389             7.78569
     C             5.36084             1.22191             8.49323
     C             4.95436             2.37994             7.77708
     C             4.29470             3.41756             8.48932
     C             3.43145             4.30133             7.78347
     C             2.39079             4.95951             8.49420
     C             1.22667             5.36803             7.78746
     C             0.00008             5.51084             8.48976
     C            -1.22596             5.36475             7.78530
     C            -2.39160             4.95681             8.48906
     C            -3.43250             4.30128             7.78117
     C            -4.30425             3.43647             8.49056
     C            -4.95818             2.39190             7.78528
     C            -5.36940             1.22714             8.49109
     C            -5.50514            -0.00229             7.78603
     C            -5.36725            -1.23151             8.48869
     C            -4.95695            -2.39186             7.78095
     C            -4.30314            -3.43451             8.48666
     C            -3.43020            -4.30340             7.78203
     C            -2.38853            -4.96008             8.48955
     C            -1.22182            -5.36617             7.78622
     C             0.00240            -5.50874             8.49306
     C             1.22570            -5.36734             7.78707
     C             2.39023            -4.96023             8.49256
     C             3.43251            -4.30290             7.78402
     C             4.30385            -3.42655             8.49013
     C             4.95580            -2.38612             7.77491
     C             5.37071            -1.23293             8.49109
     C             5.50858            -0.01196            10.62351
     C             5.34987             1.20983             9.91307
     C             4.91370             2.35500            10.62585
     C             4.25929             3.38628             9.90740
     C             3.38599             4.23876            10.61885
     C             2.37130             4.92746             9.91192
     C             1.21048             5.33239            10.61598
     C            -0.00082             5.49051             9.90381
     C            -1.21687             5.34467            10.61409
     C            -2.37453             4.94099             9.90457
     C            -3.40757             4.27753            10.61249
     C            -4.28820             3.41812             9.90640
     C            -4.93082             2.37161            10.61613
     C            -5.34616             1.21777             9.90719
     C            -5.47000            -0.00221            10.61535
     C            -5.34433            -1.22076             9.90443
     C            -4.92802            -2.37349            10.61463
     C            -4.28515            -3.41846             9.90318
     C            -3.40748            -4.27766            10.61296
     C            -2.37473            -4.93936             9.90419
     C            -1.21501            -5.33537            10.61121
     C             0.00170            -5.48449             9.90595
     C             1.21522            -5.32593            10.61528
     C             2.38136            -4.93003             9.91100
     C             3.41333            -4.26328            10.62104
     C             4.29419            -3.41243             9.91033
     C             4.96225            -2.38806            10.62338
     C             5.37496            -1.23542             9.91166
     C             5.50731            -0.00938            12.04252
     C             5.35913             1.20582            12.75279
     C             4.93042             2.34990            12.03889
     C             4.27879             3.39595            12.73658
     C             3.38420             4.23472            12.02983
     C             2.35585             4.90262            12.73960
     C             1.20465             5.32077            12.02755
     C            -0.00667             5.48754            12.73687
     C            -1.22481             5.34733            12.02931
     C            -2.38528             4.94509            12.73809
     C            -3.41100             4.27620            12.02637
     C            -4.28314             3.41702            12.73680
     C            -4.92747             2.37397            12.02963
     C            -5.34364             1.22120            12.73896
     C            -5.46985             0.00122            12.02970
     C            -5.34429            -1.21901            12.73913
     C            -4.92749            -2.37346            12.02973
     C            -4.28326            -3.41887            12.73787
     C            -3.40695            -4.27699            12.02770
     C            -2.37442            -4.93952            12.73519
     C            -1.21614            -5.33232            12.02316
     C            -0.00105            -5.47078            12.73368
     C             1.21420            -5.31453            12.02708
     C             2.37302            -4.91852            12.73914
     C             3.41446            -4.26522            12.03333
     C             4.30962            -3.42475            12.73837
     C             4.97152            -2.38528            12.03731
     C             5.37189            -1.22715            12.75233
     C             5.50818            -0.00503            14.87981
     C             5.36514             1.21860            14.16643
     C             4.95593             2.38489            14.85839
     C             4.31095             3.42832            14.15022
     C             3.43005             4.29887            14.85540
     C             2.37102             4.93778            14.15372
     C             1.21605             5.35357            14.85962
     C            -0.00536             5.50761            14.15245
     C            -1.23056             5.37043            14.85871
     C            -2.39452             4.96439            14.15377
     C            -3.43379             4.30239            14.85880
     C            -4.30364             3.43076            14.15196
     C            -4.95640             2.38768            14.85937
     C            -5.36649             1.22676            14.15390
     C            -5.50306             0.00149            14.85871
     C            -5.36719            -1.22478            14.15467
     C            -4.95772            -2.38790            14.85943
     C            -4.30335            -3.43236            14.15363
     C            -3.42968            -4.30277            14.85781
     C            -2.38865            -4.95945            14.15025
     C            -1.22662            -5.36159            14.85828
     C            -0.00319            -5.49718            14.14941
     C             1.22125            -5.35687            14.85705
     C             2.38405            -4.94535            14.15431
     C             3.43507            -4.30267            14.85811
     C             4.31749            -3.44312            14.15152
     C             4.96070            -2.39606            14.86053
     C             5.36562            -1.23046            14.16568
     C             5.54647             0.00601            16.31041
     C             5.44275             1.25497            16.93819
     C             4.93045             2.37438            16.27350
     C             4.27848             3.41198            16.98100
     C             3.41198             4.27848            16.27350
     C             2.37438             4.93045            16.98100
     C             1.21772             5.33518            16.27350
     C             0.00000             5.47239            16.98100
     C            -1.21772             5.33518            16.27350
     C            -2.37438             4.93045            16.98100
     C            -3.41198             4.27848            16.27350
     C            -4.27848             3.41198            16.98100
     C            -4.93045             2.37438            16.27350
     C            -5.33518             1.21772            16.98100
     C            -5.47239             0.00000            16.27350
     C            -5.33518            -1.21772            16.98100
     C            -4.93045            -2.37438            16.27350
     C            -4.27848            -3.41198            16.98100
     C            -3.41198            -4.27848            16.27350
     C            -2.37438            -4.93045            16.98100
     C            -1.21772            -5.33518            16.27350
     C             0.00000            -5.47239            16.98100
     C             1.21772            -5.33518            16.27350
     C             2.37438            -4.93045            16.98100
     C             3.41198            -4.27848            16.27350
     C             4.27848            -3.41198            16.98100
     C             4.93045            -2.37438            16.27350
     C             5.33518            -1.21772            16.98100
     C             8.03740             0.00000            10.64656
     C             8.03740             0.00000            11.99544
     C             9.23424             0.00000             9.94649
     H             9.20121             0.00000             8.87013
     C            10.42004             0.00000            10.64400
     H            11.34364             0.00000            10.09371
     C            10.42004             0.00000            11.99800
     H            11.34364             0.00000            12.54829
     C             9.23424             0.00000            12.69551
     H             9.20121             0.00000            13.77187
          178
 Energy:   -1209.729114901209    
     C             5.47239             0.00000             6.36850
     C             5.33518             1.21772             5.66100
     C             4.93045             2.37438             6.36850
     C             4.27848             3.41198             5.66100
     C             3.41198             4.27848             6.36850
     C             2.37438             4.93045             5.66100
     C             1.21772             5.33518             6.36850
     C             0.00000             5.47239             5.66100
     C            -1.21772             5.33518             6.36850
     C            -2.37438             4.93045             5.66100
     C            -3.41198             4.27848             6.36850
     C            -4.27848             3.41198             5.66100
     C            -4.93045             2.37438             6.36850
     C            -5.33518             1.21772             5.66100
     C            -5.47239             0.00000             6.36850
     C            -5.33518            -1.21772             5.66100
     C            -4.93045            -2.37438             6.36850
     C            -4.27848            -3.41198             5.66100
     C            -3.41198            -4.27848             6.36850
     C            -2.37438            -4.93045             5.66100
     C            -1.21772            -5.33518             6.36850
     C             0.00000            -5.47239             5.66100
     C             1.21772            -5.33518             6.36850
     C             2.37438            -4.93045             5.66100
     C             3.41198            -4.27848             6.36850
     C             4.27848            -3.41198             5.66100
     C             4.93045            -2.37438             6.36850
     C             5.33518            -1.21772             5.66100
     C             5.50608            -0.00488             7.78418
     C             5.36329             1.21671             8.49702
     C             4.95316             2.37989             7.78851
     C             4.28545             3.41338             8.49125
     C             3.43016             4.29737             7.78602
     C             2.38841             4.95601             8.49088
     C             1.23054             5.37212             7.78110
     C             0.00362             5.51229             8.48928
     C            -1.22380             5.37134             7.78286
     C            -2.38614             4.95806             8.48895
     C            -3.43420             4.30419             7.78483
     C            -4.30763             3.43014             8.48947
     C            -4.96359             2.38718             7.78159
     C            -5.36702             1.22585             8.49107
     C            -5.50685             0.00220             7.78385
     C            -5.36738            -1.22436             8.48869
     C            -4.96213            -2.39036             7.78247
     C            -4.30293            -3.43420             8.48927
     C            -3.42948            -4.30834             7.78514
     C            -2.38374            -4.96001             8.49149
     C            -1.22494            -5.36976             7.78239
     C             0.00129            -5.50843             8.48934
     C             1.22900            -5.37090             7.78239
     C             2.39131            -4.95551             8.48952
     C             3.43506            -4.30044             7.78479
     C             4.30154            -3.43127             8.49314
     C             4.95978            -2.39321             7.78895
     C             5.37936            -1.23097             8.49297
     C             5.49516            -0.01188            10.62121
     C             5.34290             1.20069             9.91136
     C             4.91296             2.34732            10.61668
     C             4.25314             3.37530             9.90233
     C             3.37227             4.22732            10.61439
     C             2.35968             4.91196             9.90184
     C             1.20589             5.31048            10.61571
     C            -0.00552             5.48009             9.90453
     C            -1.22086             5.33555            10.61505
     C            -2.37155             4.93033             9.90092
     C            -3.39647             4.26701            10.61245
     C            -4.27330             3.41347             9.90305
     C            -4.91565             2.37069            10.61330
     C            -5.33430             1.21858             9.90413
     C            -5.45724             0.00013            10.61552
     C            -5.33307            -1.21859             9.90332
     C            -4.91464            -2.37165            10.61370
     C            -4.27179            -3.41416             9.90259
     C            -3.39643            -4.26756            10.61184
     C            -2.37046            -4.92829             9.90165
     C            -1.21483            -5.32266            10.61188
     C             0.00286            -5.47038             9.90518
     C             1.21746            -5.30288            10.61846
     C             2.37543            -4.91468             9.90226
     C             3.40586            -4.25545            10.61445
     C             4.29153            -3.41082             9.90276
     C             4.95823            -2.38127            10.61396
     C             5.37456            -1.22570             9.90675
     C             5.48385            -0.01009            12.03536
     C             5.33726             1.20796            12.74831
     C             4.92114             2.35801            12.03112
     C             4.27897             3.39831            12.74338
     C             3.37909             4.22764            12.03099
     C             2.35466             4.89318            12.74087
     C             1.20326             5.29918            12.03036
     C            -0.01012             5.46754            12.73922
     C            -1.22520             5.33378            12.02840
     C            -2.38134             4.93816            12.73972
     C            -3.40293             4.26720            12.02658
     C            -4.27389             3.40790            12.73837
     C            -4.91487             2.36713            12.02724
     C            -5.33101             1.21899            12.74029
     C            -5.45642             0.00143            12.03021
     C            -5.33186            -1.21710            12.74048
     C            -4.91416            -2.36883            12.02947
     C            -4.27128            -3.41226            12.73769
     C            -3.39877            -4.26591            12.02371
     C            -2.37325            -4.92706            12.73573
     C            -1.21626            -5.31664            12.02415
     C            -0.00458            -5.45347            12.73963
     C             1.21307            -5.29736            12.03499
     C             2.37410            -4.90951            12.74248
     C             3.40648            -4.25685            12.03043
     C             4.29885            -3.42002            12.74497
     C             4.94998            -2.38141            12.03226
     C             5.34286            -1.22468            12.75230
     C             5.52426            -0.00625            14.89477
     C             5.35996             1.21595            14.16973
     C             4.94680             2.38763            14.86417
     C             4.30303             3.43209            14.15610
     C             3.43417             4.30270            14.85973
     C             2.38117             4.93963            14.15214
     C             1.21709             5.35939            14.85671
     C            -0.00882             5.50156            14.15066
     C            -1.23113             5.37124            14.86036
     C            -2.39495             4.96549            14.15335
     C            -3.43756             4.30646            14.85837
     C            -4.30371             3.42894            14.15195
     C            -4.96105             2.38684            14.85981
     C            -5.36538             1.22352            14.15300
     C            -5.50590             0.00066            14.86010
     C            -5.36619            -1.22301            14.15371
     C            -4.96093            -2.38822            14.85858
     C            -4.30306            -3.43105            14.15106
     C            -3.43418            -4.30450            14.85814
     C            -2.39019            -4.95735            14.14914
     C            -1.22826            -5.36517            14.85871
     C            -0.00313            -5.49413            14.15182
     C             1.22384            -5.36229            14.85726
     C             2.38573            -4.94785            14.15267
     C             3.43295            -4.30795            14.86330
     C             4.31374            -3.44423            14.16104
     C             4.95767            -2.39433            14.86640
     C             5.35533            -1.21945            14.17385
     C             5.57567            -0.00414            16.32462
     C             5.50145             1.25834            16.91574
     C             4.93045             2.37438            16.27350
     C             4.27848             3.41198            16.98100
     C             3.41198             4.27848            16.27350
     C             2.37438             4.93045            16.98100
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     C            -4.27848             3.41198            16.98100
     C            -4.93045             2.37438            16.27350
     C            -5.33518             1.21772            16.98100
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     C            -3.41198            -4.27848            16.27350
     C            -2.37438            -4.93045            16.98100
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     C             0.00000            -5.47239            16.98100
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     C             2.37438            -4.93045            16.98100
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     C             4.27848            -3.41198            16.98100
     C             4.93045            -2.37438            16.27350
     C             5.33518            -1.21772            16.98100
     C             7.69633             0.00000            10.62651
     C             7.69633             0.00000            12.01549
     C             8.94027             0.00000             9.92355
     H             8.96139             0.00000             8.84921
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     H            11.08241             0.00000            10.08499
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     C             8.94027             0.00000            12.71845
     H             8.96139             0.00000            13.79279
          178
 Energy:   -1209.317400070433    
     C             5.47239             0.00000             6.36850
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     C             4.93045             2.37438             6.36850
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     C             4.95340             2.37411             7.78783
     C             4.27913             3.40881             8.49451
     C             3.42534             4.29371             7.78140
     C             2.38125             4.95108             8.48461
     C             1.22478             5.37615             7.78188
     C             0.00192             5.51195             8.48785
     C            -1.22050             5.37547             7.78066
     C            -2.38155             4.95854             8.48562
     C            -3.43292             4.30610             7.78320
     C            -4.30305             3.42883             8.48641
     C            -4.96593             2.38744             7.78299
     C            -5.36534             1.22177             8.48781
     C            -5.50747             0.00102             7.78036
     C            -5.36519            -1.21931             8.49031
     C            -4.96451            -2.38844             7.78719
     C            -4.30064            -3.43207             8.48950
     C            -3.43334            -4.30715             7.78179
     C            -2.38335            -4.95828             8.48459
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     C             0.00454            -5.50578             8.48680
     C             1.22892            -5.37153             7.78218
     C             2.38598            -4.95117             8.48684
     C             3.43179            -4.30252             7.77975
     C             4.30550            -3.43426             8.48997
     C             4.97066            -2.39024             7.78590
     C             5.38819            -1.22879             8.48909
     C             5.46976            -0.01107            10.62093
     C             5.34728             1.20024             9.90398
     C             4.91972             2.34771            10.61289
     C             4.25287             3.37791             9.90772
     C             3.37449             4.22498            10.61351
     C             2.35556             4.89993             9.90146
     C             1.20280             5.30190            10.61516
     C            -0.00686             5.47847             9.90464
     C            -1.22410             5.33627            10.61223
     C            -2.37640             4.93077             9.90212
     C            -3.39975             4.26336            10.61431
     C            -4.27021             3.40891             9.90085
     C            -4.91133             2.37133            10.61163
     C            -5.33010             1.22080             9.90383
     C            -5.45546             0.00152            10.61385
     C            -5.32995            -1.21829             9.90611
     C            -4.91237            -2.36966            10.61323
     C            -4.27198            -3.40938             9.90358
     C            -3.39775            -4.26431            10.61143
     C            -2.36921            -4.92882             9.90169
     C            -1.21004            -5.32125            10.61425
     C             0.00701            -5.46267             9.90407
     C             1.21572            -5.29478            10.61711
     C             2.37177            -4.90813             9.90283
     C             3.40755            -4.25695            10.61199
     C             4.29675            -3.41430             9.90728
     C             4.95752            -2.37930            10.61491
     C             5.37842            -1.22807             9.90530
     C             5.45608            -0.00742            12.03972
     C             5.32831             1.20878            12.75062
     C             4.92296             2.36235            12.03165
     C             4.27653             3.40577            12.73980
     C             3.38641             4.23495            12.02497
     C             2.36066             4.89469            12.73904
     C             1.20147             5.29159            12.02920
     C            -0.00995             5.45804            12.73857
     C            -1.22548             5.33096            12.02688
     C            -2.38278             4.93888            12.73813
     C            -3.40315             4.26771            12.02892
     C            -4.27235             3.40787            12.73765
     C            -4.91259             2.36598            12.02588
     C            -5.32901             1.21490            12.73697
     C            -5.45427            -0.00196            12.02810
     C            -5.32778            -1.21825            12.73688
     C            -4.91227            -2.36656            12.02567
     C            -4.27253            -3.40653            12.73558
     C            -3.40216            -4.26256            12.02511
     C            -2.37724            -4.92478            12.73726
     C            -1.21481            -5.31320            12.03065
     C             0.00086            -5.44839            12.74224
     C             1.21295            -5.29309            12.03029
     C             2.37521            -4.90987            12.73945
     C             3.40994            -4.25944            12.02597
     C             4.29161            -3.42064            12.74314
     C             4.93586            -2.37847            12.03468
     C             5.32775            -1.22101            12.75278
     C             5.54945            -0.01281            14.88940
     C             5.35937             1.21155            14.17231
     C             4.93615             2.38408            14.85733
     C             4.29218             3.43068            14.15469
     C             3.43027             4.30781            14.86334
     C             2.38202             4.94604            14.15429
     C             1.22422             5.36349            14.85789
     C            -0.00477             5.49409            14.15547
     C            -1.23219             5.37049            14.85922
     C            -2.39620             4.96549            14.15357
     C            -3.43931             4.30906            14.86019
     C            -4.30187             3.42922            14.15344
     C            -4.96328             2.38877            14.85810
     C            -5.36356             1.22232            14.15340
     C            -5.50826            -0.00170            14.85943
     C            -5.36342            -1.22472            14.15248
     C            -4.96254            -2.38952            14.85792
     C            -4.30190            -3.42866            14.15113
     C            -3.43771            -4.30554            14.85937
     C            -2.39032            -4.95555            14.15335
     C            -1.22778            -5.36745            14.85880
     C            -0.00051            -5.49075            14.15713
     C             1.22384            -5.36504            14.86127
     C             2.38551            -4.95439            14.15630
     C             3.43542            -4.30993            14.86104
     C             4.30984            -3.43687            14.15906
     C             4.95614            -2.38696            14.86375
     C             5.35423            -1.22336            14.16720
     C             5.60445             0.00317            16.32084
     C             5.55177             1.28137            16.90475
     C             4.93045             2.37438            16.27350
     C             4.27848             3.41198            16.98100
     C             3.41198             4.27848            16.27350
     C             2.37438             4.93045            16.98100
     C             1.21772             5.33518            16.27350
     C             0.00000             5.47239            16.98100
     C            -1.21772             5.33518            16.27350
     C            -2.37438             4.93045            16.98100
     C            -3.41198             4.27848            16.27350
     C            -4.27848             3.41198            16.98100
     C            -4.93045             2.37438            16.27350
     C            -5.33518             1.21772            16.98100
     C            -5.47239             0.00000            16.27350
     C            -5.33518            -1.21772            16.98100
     C            -4.93045            -2.37438            16.27350
     C            -4.27848            -3.41198            16.98100
     C            -3.41198            -4.27848            16.27350
     C            -2.37438            -4.93045            16.98100
     C            -1.21772            -5.33518            16.27350
     C             0.00000            -5.47239            16.98100
     C             1.21772            -5.33518            16.27350
     C             2.37438            -4.93045            16.98100
     C             3.41198            -4.27848            16.27350
     C             4.27848            -3.41198            16.98100
     C             4.93045            -2.37438            16.27350
     C             5.33518            -1.21772            16.98100
     C             7.42153             0.00011            10.62087
     C             7.41142             0.00004            12.02116
     C             8.63587             0.00000             9.86942
     H             8.61746             0.00000             8.78922
     C             9.84834             0.00000            10.61898
     H            10.79300             0.00000            10.08978
     C             9.84832             0.00000            12.02300
     H            10.79300             0.00000            12.55222
     C             8.63572             0.00000            12.77257
     H             8.61737             0.00000            13.85279
          178
 Energy:   -1208.577682409992    
     C             5.47239             0.00000             6.36850
     C             5.33518             1.21772             5.66100
     C             4.93045             2.37438             6.36850
     C             4.27848             3.41198             5.66100
     C             3.41198             4.27848             6.36850
     C             2.37438             4.93045             5.66100
     C             1.21772             5.33518             6.36850
     C             0.00000             5.47239             5.66100
     C            -1.21772             5.33518             6.36850
     C            -2.37438             4.93045             5.66100
     C            -3.41198             4.27848             6.36850
     C            -4.27848             3.41198             5.66100
     C            -4.93045             2.37438             6.36850
     C            -5.33518             1.21772             5.66100
     C            -5.47239             0.00000             6.36850
     C            -5.33518            -1.21772             5.66100
     C            -4.93045            -2.37438             6.36850
     C            -4.27848            -3.41198             5.66100
     C            -3.41198            -4.27848             6.36850
     C            -2.37438            -4.93045             5.66100
     C            -1.21772            -5.33518             6.36850
     C             0.00000            -5.47239             5.66100
     C             1.21772            -5.33518             6.36850
     C             2.37438            -4.93045             5.66100
     C             3.41198            -4.27848             6.36850
     C             4.27848            -3.41198             5.66100
     C             4.93045            -2.37438             6.36850
     C             5.33518            -1.21772             5.66100
     C             5.52424            -0.00891             7.77805
     C             5.37559             1.21607             8.48376
     C             4.94856             2.37320             7.77745
     C             4.28082             3.40206             8.48930
     C             3.41879             4.28666             7.78482
     C             2.37504             4.94301             8.49092
     C             1.21993             5.37383             7.78347
     C            -0.00385             5.51518             8.49144
     C            -1.22615             5.37229             7.78329
     C            -2.38771             4.95867             8.48767
     C            -3.42670             4.30372             7.77921
     C            -4.29465             3.43201             8.48676
     C            -4.95984             2.39182             7.78273
     C            -5.36523             1.22562             8.48893
     C            -5.50534            -0.00257             7.78482
     C            -5.36252            -1.22656             8.49225
     C            -4.95955            -2.38708             7.78145
     C            -4.30123            -3.42727             8.48769
     C            -3.43257            -4.30207             7.78166
     C            -2.38622            -4.95880             8.48654
     C            -1.22007            -5.37166             7.78410
     C             0.00452            -5.50371             8.49276
     C             1.22574            -5.36688             7.78256
     C             2.38336            -4.94679             8.49102
     C             3.43240            -4.29923             7.78553
     C             4.31821            -3.43075             8.48619
     C             4.97636            -2.39262             7.77539
     C             5.40181            -1.23691             8.48836
     C             5.25981            -0.01275            10.62062
     C             5.33599             1.21252             9.90445
     C             4.93371             2.36524            10.62221
     C             4.26602             3.38430             9.90523
     C             3.38594             4.23860            10.61332
     C             2.35743             4.89783             9.90193
     C             1.20262             5.30567            10.61339
     C            -0.00753             5.48429             9.90155
     C            -1.22481             5.34604            10.61185
     C            -2.38395             4.94246             9.90089
     C            -3.41016             4.27372            10.61266
     C            -4.27778             3.41045             9.90040
     C            -4.92156             2.36777            10.61329
     C            -5.33677             1.21673             9.90122
     C            -5.46374             0.00204            10.61245
     C            -5.33738            -1.21392             9.90333
     C            -4.92277            -2.36638            10.61228
     C            -4.28008            -3.41150             9.90120
     C            -3.40496            -4.27332            10.61180
     C            -2.37171            -4.93735             9.90154
     C            -1.21036            -5.32716            10.61646
     C             0.00296            -5.46475             9.90236
     C             1.21483            -5.30201            10.61206
     C             2.37632            -4.91109             9.90278
     C             3.41889            -4.26768            10.61496
     C             4.30879            -3.42115             9.90388
     C             4.96059            -2.39349            10.62444
     C             5.36101            -1.23924             9.90979
     C             5.24814            -0.00354            12.04020
     C             5.31634             1.21438            12.75810
     C             4.93524             2.36704            12.03664
     C             4.28132             3.40899            12.73186
     C             3.39708             4.25806            12.02392
     C             2.36508             4.91223            12.73679
     C             1.20512             5.29769            12.02709
     C            -0.00616             5.46019            12.74105
     C            -1.22498             5.33940            12.02749
     C            -2.38758             4.94756            12.73840
     C            -3.41385             4.27649            12.02632
     C            -4.28136             3.41307            12.73944
     C            -4.92035             2.36946            12.02762
     C            -5.33621             1.21594            12.73614
     C            -5.46354            -0.00208            12.02429
     C            -5.33571            -1.21894            12.73621
     C            -4.92227            -2.36842            12.02451
     C            -4.28331            -3.40922            12.73802
     C            -3.41075            -4.27115            12.02756
     C            -2.37896            -4.93328            12.74176
     C            -1.21359            -5.32148            12.03208
     C             0.00504            -5.45543            12.74178
     C             1.21529            -5.30109            12.02523
     C             2.37679            -4.92345            12.73785
     C             3.41625            -4.27719            12.02833
     C             4.29307            -3.42136            12.73707
     C             4.93716            -2.37935            12.03481
     C             5.31006            -1.22392            12.75034
     C             5.57020            -0.01226            14.87095
     C             5.36691             1.21326            14.16859
     C             4.92345             2.37368            14.85762
     C             4.28359             3.42364            14.14561
     C             3.42594             4.30585            14.85550
     C             2.37986             4.95628            14.14884
     C             1.22194             5.36474            14.86197
     C            -0.00049             5.49001            14.15313
     C            -1.22787             5.36606            14.85922
     C            -2.39648             4.96701            14.15265
     C            -3.43722             4.30781            14.85894
     C            -4.30254             3.43161            14.15192
     C            -4.96031             2.38844            14.85867
     C            -5.36371             1.22343            14.14958
     C            -5.50573            -0.00196            14.85659
     C            -5.36294            -1.22678            14.14916
     C            -4.96021            -2.38923            14.85977
     C            -4.30220            -3.42911            14.15106
     C            -3.43553            -4.30384            14.85877
     C            -2.39057            -4.95740            14.15478
     C            -1.22678            -5.36352            14.86061
     C             0.00011            -5.49070            14.15414
     C             1.22608            -5.36303            14.86074
     C             2.39017            -4.95900            14.15091
     C             3.43853            -4.30629            14.85725
     C             4.30287            -3.43064            14.14877
     C             4.95081            -2.39016            14.86031
     C             5.37260            -1.22959            14.16213
     C             5.62852             0.01004            16.31334
     C             5.58642             1.29380            16.90201
     C             4.93045             2.37438            16.27350
     C             4.27848             3.41198            16.98100
     C             3.41198             4.27848            16.27350
     C             2.37438             4.93045            16.98100
     C             1.21772             5.33518            16.27350
     C             0.00000             5.47239            16.98100
     C            -1.21772             5.33518            16.27350
     C            -2.37438             4.93045            16.98100
     C            -3.41198             4.27848            16.27350
     C            -4.27848             3.41198            16.98100
     C            -4.93045             2.37438            16.27350
     C            -5.33518             1.21772            16.98100
     C            -5.47239             0.00000            16.27350
     C            -5.33518            -1.21772            16.98100
     C            -4.93045            -2.37438            16.27350
     C            -4.27848            -3.41198            16.98100
     C            -3.41198            -4.27848            16.27350
     C            -2.37438            -4.93045            16.98100
     C            -1.21772            -5.33518            16.27350
     C             0.00000            -5.47239            16.98100
     C             1.21772            -5.33518            16.27350
     C             2.37438            -4.93045            16.98100
     C             3.41198            -4.27848            16.27350
     C             4.27848            -3.41198            16.98100
     C             4.93045            -2.37438            16.27350
     C             5.33518            -1.21772            16.98100
     C             7.32765             0.00150            10.67231
     C             7.31463             0.00092            11.97595
     C             8.41637             0.00005             9.84671
     H             8.32685            -0.00018             8.77059
     C             9.51406            -0.00004            10.61154
     H            10.47283            -0.00005            10.11301
     C             9.50663            -0.00002            12.02799
     H            10.46393            -0.00003            12.53231
     C             8.39985             0.00001            12.78967
     H             8.31772            -0.00010            13.86521
          178
 Energy:   -1208.659429931226    
     C             5.47239             0.00000             6.36850
     C             5.33518             1.21772             5.66100
     C             4.93045             2.37438             6.36850
     C             4.27848             3.41198             5.66100
     C             3.41198             4.27848             6.36850
     C             2.37438             4.93045             5.66100
     C             1.21772             5.33518             6.36850
     C             0.00000             5.47239             5.66100
     C            -1.21772             5.33518             6.36850
     C            -2.37438             4.93045             5.66100
     C            -3.41198             4.27848             6.36850
     C            -4.27848             3.41198             5.66100
     C            -4.93045             2.37438             6.36850
     C            -5.33518             1.21772             5.66100
     C            -5.47239             0.00000             6.36850
     C            -5.33518            -1.21772             5.66100
     C            -4.93045            -2.37438             6.36850
     C            -4.27848            -3.41198             5.66100
     C            -3.41198            -4.27848             6.36850
     C            -2.37438            -4.93045             5.66100
     C            -1.21772            -5.33518             6.36850
     C             0.00000            -5.47239             5.66100
     C             1.21772            -5.33518             6.36850
     C             2.37438            -4.93045             5.66100
     C             3.41198            -4.27848             6.36850
     C             4.27848            -3.41198             5.66100
     C             4.93045            -2.37438             6.36850
     C             5.33518            -1.21772             5.66100
     C             5.53009            -0.00954             7.79089
     C             5.38864             1.21984             8.49618
     C             4.95207             2.37238             7.78285
     C             4.28241             3.40436             8.48800
     C             3.41275             4.27780             7.78628
     C             2.37047             4.93299             8.49291
     C             1.21879             5.36413             7.78489
     C            -0.00867             5.51864             8.48688
     C            -1.23298             5.36847             7.78306
     C            -2.39351             4.96508             8.49045
     C            -3.42498             4.29786             7.78306
     C            -4.29476             3.42933             8.48956
     C            -4.95114             2.38974             7.78237
     C            -5.36523             1.22853             8.48679
     C            -5.50068             0.00102             7.78418
     C            -5.36406            -1.22679             8.48525
     C            -4.95247            -2.38646             7.77971
     C            -4.30026            -3.42848             8.48696
     C            -3.42555            -4.29905             7.78563
     C            -2.38806            -4.96137             8.49308
     C            -1.22684            -5.36357             7.78381
     C            -0.00224            -5.50154             8.48933
     C             1.22576            -5.35687             7.78610
     C             2.38871            -4.94080             8.49111
     C             3.43777            -4.29076             7.78534
     C             4.32443            -3.43677             8.48953
     C             4.98631            -2.39672             7.78658
     C             5.41606            -1.24137             8.49773
     C             5.07341            -0.01043            10.61043
     C             5.26687             1.20882             9.91354
     C             4.95956             2.39876            10.61926
     C             4.28462             3.41113             9.90031
     C             3.40723             4.26400            10.60806
     C             2.36048             4.91072             9.90678
     C             1.20724             5.31908            10.61199
     C            -0.00914             5.49584             9.90741
     C            -1.23169             5.36203            10.61455
     C            -2.39074             4.96127             9.90602
     C            -3.42630             4.29463            10.60974
     C            -4.29171             3.41833             9.90577
     C            -4.93792             2.37380            10.61202
     C            -5.35192             1.22005             9.90335
     C            -5.48335            -0.00007            10.61090
     C            -5.35159            -1.21933             9.90163
     C            -4.93884            -2.37475            10.60969
     C            -4.29101            -3.41968             9.90411
     C            -3.42119            -4.28834            10.61274
     C            -2.38335            -4.94807             9.90863
     C            -1.22240            -5.33916            10.61634
     C            -0.00092            -5.47687             9.90898
     C             1.22161            -5.31925            10.61105
     C             2.38400            -4.92512             9.90688
     C             3.43469            -4.29036            10.61031
     C             4.31945            -3.44792             9.90124
     C             4.97574            -2.42302            10.61570
     C             5.28302            -1.23044             9.91514
     C             5.05999            -0.00428            12.03633
     C             5.25522             1.20767            12.74034
     C             4.95446             2.40022            12.03540
     C             4.28709             3.42645            12.73621
     C             3.41518             4.28289            12.02623
     C             2.37462             4.94060            12.73146
     C             1.20815             5.32036            12.02416
     C            -0.00498             5.47292            12.73555
     C            -1.22792             5.35520            12.03014
     C            -2.39425             4.96078            12.73388
     C            -3.42884             4.29592            12.02709
     C            -4.29633             3.42461            12.73476
     C            -4.93865             2.37628            12.02771
     C            -5.35095             1.22085            12.73474
     C            -5.48289             0.00244            12.02695
     C            -5.35404            -1.21828            12.73411
     C            -4.94163            -2.37718            12.02709
     C            -4.29530            -3.42450            12.73547
     C            -3.42069            -4.29058            12.03016
     C            -2.38184            -4.94724            12.73688
     C            -1.21911            -5.33816            12.02989
     C             0.00141            -5.47236            12.73454
     C             1.21874            -5.32356            12.02547
     C             2.38552            -4.94673            12.73363
     C             3.43008            -4.29864            12.02757
     C             4.29607            -3.43824            12.73711
     C             4.95230            -2.40946            12.03211
     C             5.25058            -1.21664            12.74143
     C             5.58866            -0.01094            14.87889
     C             5.38087             1.21724            14.16410
     C             4.91406             2.37178            14.86006
     C             4.27583             3.41133            14.14654
     C             3.42176             4.29821            14.85323
     C             2.38272             4.96394            14.14862
     C             1.21904             5.36289            14.85615
     C            -0.00551             5.49208            14.15165
     C            -1.22491             5.35959            14.85823
     C            -2.39250             4.96946            14.15229
     C            -3.43321             4.30525            14.85851
     C            -4.30654             3.43350            14.15305
     C            -4.95527             2.38543            14.85758
     C            -5.36515             1.22460            14.15089
     C            -5.49977             0.00008            14.85745
     C            -5.36578            -1.22477            14.15151
     C            -4.95635            -2.38625            14.85784
     C            -4.30482            -3.43240            14.15355
     C            -3.43096            -4.30084            14.85967
     C            -2.38978            -4.96137            14.15409
     C            -1.22191            -5.35789            14.85814
     C             0.00179            -5.49277            14.15156
     C             1.22881            -5.35911            14.85451
     C             2.39488            -4.96114            14.14969
     C             3.43217            -4.30415            14.85721
     C             4.29673            -3.42974            14.14957
     C             4.95801            -2.39032            14.86117
     C             5.40024            -1.23287            14.16060
     C             5.64044            -0.00266            16.31220
     C             5.59548             1.28351            16.89302
     C             4.93045             2.37438            16.27350
     C             4.27848             3.41198            16.98100
     C             3.41198             4.27848            16.27350
     C             2.37438             4.93045            16.98100
     C             1.21772             5.33518            16.27350
     C             0.00000             5.47239            16.98100
     C            -1.21772             5.33518            16.27350
     C            -2.37438             4.93045            16.98100
     C            -3.41198             4.27848            16.27350
     C            -4.27848             3.41198            16.98100
     C            -4.93045             2.37438            16.27350
     C            -5.33518             1.21772            16.98100
     C            -5.47239             0.00000            16.27350
     C            -5.33518            -1.21772            16.98100
     C            -4.93045            -2.37438            16.27350
     C            -4.27848            -3.41198            16.98100
     C            -3.41198            -4.27848            16.27350
     C            -2.37438            -4.93045            16.98100
     C            -1.21772            -5.33518            16.27350
     C             0.00000            -5.47239            16.98100
     C             1.21772            -5.33518            16.27350
     C             2.37438            -4.93045            16.98100
     C             3.41198            -4.27848            16.27350
     C             4.27848            -3.41198            16.98100
     C             4.93045            -2.37438            16.27350
     C             5.33518            -1.21772            16.98100
     C             7.07099             0.00358            10.58171
     C             7.04588             0.00214            12.05412
     C             8.20854             0.00039             9.82721
     H             8.17739            -0.00080             8.72885
     C             9.39324            -0.00029            10.62651
     H            10.38436            -0.00058            10.13892
     C             9.37138            -0.00019            12.01435
     H            10.34946            -0.00030            12.52535
     C             8.19693             0.00014            12.81565
     H             8.16313            -0.00056            13.91491
          178
 Energy:   -1208.030681867117    
     C             5.47239             0.00000             6.36850
     C             5.33518             1.21772             5.66100
     C             4.93045             2.37438             6.36850
     C             4.27848             3.41198             5.66100
     C             3.41198             4.27848             6.36850
     C             2.37438             4.93045             5.66100
     C             1.21772             5.33518             6.36850
     C             0.00000             5.47239             5.66100
     C            -1.21772             5.33518             6.36850
     C            -2.37438             4.93045             5.66100
     C            -3.41198             4.27848             6.36850
     C            -4.27848             3.41198             5.66100
     C            -4.93045             2.37438             6.36850
     C            -5.33518             1.21772             5.66100
     C            -5.47239             0.00000             6.36850
     C            -5.33518            -1.21772             5.66100
     C            -4.93045            -2.37438             6.36850
     C            -4.27848            -3.41198             5.66100
     C            -3.41198            -4.27848             6.36850
     C            -2.37438            -4.93045             5.66100
     C            -1.21772            -5.33518             6.36850
     C             0.00000            -5.47239             5.66100
     C             1.21772            -5.33518             6.36850
     C             2.37438            -4.93045             5.66100
     C             3.41198            -4.27848             6.36850
     C             4.27848            -3.41198             5.66100
     C             4.93045            -2.37438             6.36850
     C             5.33518            -1.21772             5.66100
     C             5.54316            -0.00610             7.79596
     C             5.37652             1.21339             8.51450
     C             4.97111             2.37446             7.79059
     C             4.28915             3.41468             8.48826
     C             3.40791             4.27267             7.77839
     C             2.36803             4.92597             8.49018
     C             1.21250             5.35359             7.78359
     C            -0.00856             5.51654             8.49176
     C            -1.23078             5.37283             7.78161
     C            -2.39694             4.97382             8.49297
     C            -3.43024             4.29652             7.78681
     C            -4.30090             3.42466             8.49455
     C            -4.94839             2.38156             7.78298
     C            -5.36583             1.22464             8.48950
     C            -5.49792             0.00499             7.77789
     C            -5.36756            -1.21923             8.48509
     C            -4.95003            -2.38537             7.78513
     C            -4.29762            -3.43272             8.49309
     C            -3.42444            -4.29895             7.78326
     C            -2.39202            -4.96223             8.49622
     C            -1.22814            -5.35975             7.78388
     C            -0.00200            -5.49646             8.49245
     C             1.22456            -5.34596             7.78598
     C             2.39218            -4.93815             8.48858
     C             3.43508            -4.29187             7.77668
     C             4.33086            -3.44894             8.48827
     C             5.00507            -2.40183             7.78797
     C             5.39992            -1.23297             8.51135
     C             4.83047            -0.00985            10.60020
     C             5.14959             1.20079             9.92051
     C             4.97653             2.43288            10.60962
     C             4.31268             3.46389             9.90160
     C             3.42688             4.30642            10.61329
     C             2.37170             4.93240             9.90488
     C             1.20792             5.34440            10.61150
     C            -0.01331             5.51136             9.90458
     C            -1.23691             5.38405            10.61586
     C            -2.40437             4.98132             9.90958
     C            -3.44706             4.31968            10.61413
     C            -4.30559             3.43565             9.90772
     C            -4.95909             2.38946            10.61268
     C            -5.37207             1.22693             9.90408
     C            -5.51102            -0.00174            10.60971
     C            -5.37073            -1.22895             9.90090
     C            -4.96093            -2.39108            10.61274
     C            -4.30500            -3.43361             9.90650
     C            -3.44374            -4.30696            10.61747
     C            -2.40042            -4.96174             9.91117
     C            -1.22897            -5.36023            10.61357
     C            -0.00236            -5.49382             9.90648
     C             1.22255            -5.34675            10.61311
     C             2.38931            -4.95099             9.90285
     C             3.44703            -4.33127            10.61278
     C             4.34098            -3.49291             9.90336
     C             4.98639            -2.44640            10.61193
     C             5.15613            -1.21598             9.91551
     C             4.81257            -0.00893            12.04416
     C             5.14162             1.20379            12.73099
     C             4.96936             2.43709            12.02823
     C             4.30016             3.46465            12.74409
     C             3.43048             4.31745            12.02261
     C             2.38947             4.97122            12.72957
     C             1.21536             5.35505            12.02655
     C            -0.00939             5.49609            12.73274
     C            -1.23672             5.37501            12.02933
     C            -2.40197             4.97643            12.73611
     C            -3.44749             4.32153            12.02804
     C            -4.31426             3.44108            12.73293
     C            -4.96254             2.39132            12.02683
     C            -5.37111             1.22872            12.73689
     C            -5.51076             0.00219            12.02677
     C            -5.37522            -1.22528            12.73540
     C            -4.96549            -2.39161            12.02887
     C            -4.31152            -3.44045            12.73496
     C            -3.43841            -4.31218            12.02922
     C            -2.39253            -4.96431            12.73596
     C            -1.22753            -5.36169            12.02771
     C            -0.00116            -5.49603            12.73177
     C             1.22453            -5.35822            12.02802
     C             2.39761            -4.97389            12.73081
     C             3.44175            -4.33104            12.02175
     C             4.31053            -3.47707            12.74552
     C             4.97074            -2.44343            12.03020
     C             5.14541            -1.21606            12.73448
     C             5.60820            -0.01829            14.86907
     C             5.37456             1.20929            14.14902
     C             4.92643             2.36756            14.85530
     C             4.26434             3.41127            14.15752
     C             3.41312             4.29297            14.86388
     C             2.38883             4.96700            14.14703
     C             1.22001             5.36220            14.85587
     C            -0.00484             5.49831            14.14646
     C            -1.22888             5.35785            14.85934
     C            -2.39581             4.96607            14.14929
     C            -3.43151             4.30387            14.85691
     C            -4.30806             3.43705            14.14868
     C            -4.95297             2.38629            14.85888
     C            -5.36640             1.22513            14.15218
     C            -5.49699             0.00200            14.86064
     C            -5.36958            -1.22166            14.15096
     C            -4.95505            -2.38462            14.85743
     C            -4.30755            -3.43624            14.15003
     C            -3.42781            -4.30158            14.85767
     C            -2.38768            -4.96221            14.14956
     C            -1.21875            -5.35652            14.85681
     C             0.00514            -5.49577            14.14562
     C             1.22598            -5.35943            14.85853
     C             2.39266            -4.96640            14.14763
     C             3.42601            -4.29928            14.86326
     C             4.30150            -3.42920            14.16194
     C             4.98105            -2.39054            14.85824
     C             5.40141            -1.23077            14.14509
     C             5.64245            -0.00439            16.31555
     C             5.56869             1.27656            16.88665
     C             4.93045             2.37438            16.27350
     C             4.27848             3.41198            16.98100
     C             3.41198             4.27848            16.27350
     C             2.37438             4.93045            16.98100
     C             1.21772             5.33518            16.27350
     C             0.00000             5.47239            16.98100
     C            -1.21772             5.33518            16.27350
     C            -2.37438             4.93045            16.98100
     C            -3.41198             4.27848            16.27350
     C            -4.27848             3.41198            16.98100
     C            -4.93045             2.37438            16.27350
     C            -5.33518             1.21772            16.98100
     C            -5.47239             0.00000            16.27350
     C            -5.33518            -1.21772            16.98100
     C            -4.93045            -2.37438            16.27350
     C            -4.27848            -3.41198            16.98100
     C            -3.41198            -4.27848            16.27350
     C            -2.37438            -4.93045            16.98100
     C            -1.21772            -5.33518            16.27350
     C             0.00000            -5.47239            16.98100
     C             1.21772            -5.33518            16.27350
     C             2.37438            -4.93045            16.98100
     C             3.41198            -4.27848            16.27350
     C             4.27848            -3.41198            16.98100
     C             4.93045            -2.37438            16.27350
     C             5.33518            -1.21772            16.98100
     C             6.86782             0.00684            10.65484
     C             6.86313             0.00441            11.97568
     C             8.12441             0.00096             9.87142
     H             8.16590            -0.00157             8.76112
     C             9.29072            -0.00067            10.59906
     H            10.24699            -0.00203            10.03263
     C             9.27993            -0.00052            12.05000
     H            10.23435            -0.00119            12.61945
     C             8.09173             0.00035            12.76703
     H             8.13221            -0.00121            13.87639
          178
 Energy:   -1207.682212132604    
     C             5.47239             0.00000             6.36850
     C             5.33518             1.21772             5.66100
     C             4.93045             2.37438             6.36850
     C             4.27848             3.41198             5.66100
     C             3.41198             4.27848             6.36850
     C             2.37438             4.93045             5.66100
     C             1.21772             5.33518             6.36850
     C             0.00000             5.47239             5.66100
     C            -1.21772             5.33518             6.36850
     C            -2.37438             4.93045             5.66100
     C            -3.41198             4.27848             6.36850
     C            -4.27848             3.41198             5.66100
     C            -4.93045             2.37438             6.36850
     C            -5.33518             1.21772             5.66100
     C            -5.47239             0.00000             6.36850
     C            -5.33518            -1.21772             5.66100
     C            -4.93045            -2.37438             6.36850
     C            -4.27848            -3.41198             5.66100
     C            -3.41198            -4.27848             6.36850
     C            -2.37438            -4.93045             5.66100
     C            -1.21772            -5.33518             6.36850
     C             0.00000            -5.47239             5.66100
     C             1.21772            -5.33518             6.36850
     C             2.37438            -4.93045             5.66100
     C             3.41198            -4.27848             6.36850
     C             4.27848            -3.41198             5.66100
     C             4.93045            -2.37438             6.36850
     C             5.33518            -1.21772             5.66100
     C             5.54385            -0.00558             7.79812
     C             5.32290             1.20922             8.51889
     C             4.98443             2.38950             7.78824
     C             4.31374             3.43740             8.48543
     C             3.40891             4.27173             7.78170
     C             2.36687             4.92762             8.48677
     C             1.20961             5.34544             7.78340
     C            -0.00878             5.51170             8.49077
     C            -1.23310             5.37951             7.78738
     C            -2.40263             4.98125             8.49069
     C            -3.43447             4.30385             7.78475
     C            -4.30497             3.42984             8.49170
     C            -4.95115             2.37934             7.78555
     C            -5.36971             1.22224             8.49204
     C            -5.50019            -0.00081             7.78556
     C            -5.36961            -1.22477             8.49180
     C            -4.95202            -2.38306             7.78608
     C            -4.30345            -3.43068             8.49265
     C            -3.43251            -4.30034             7.78389
     C            -2.39472            -4.96542             8.49031
     C            -1.22277            -5.36080             7.78844
     C             0.00259            -5.49072             8.49056
     C             1.21981            -5.34018             7.78121
     C             2.38446            -4.94677             8.48571
     C             3.43420            -4.29737             7.78245
     C             4.35139            -3.46787             8.48151
     C             5.01181            -2.41029             7.78544
     C             5.33543            -1.22595             8.51439
     C             4.75674            -0.00685            10.62047
     C             5.01545             1.20136             9.91954
     C             4.95596             2.44970            10.61513
     C             4.35199             3.52489             9.90073
     C             3.44716             4.36469            10.61059
     C             2.37312             4.96545             9.90189
     C             1.21468             5.37835            10.60863
     C            -0.01480             5.52643             9.90887
     C            -1.24746             5.40665            10.60967
     C            -2.41714             5.00276             9.90930
     C            -3.46651             4.34719            10.61481
     C            -4.32372             3.45248             9.91113
     C            -4.98627             2.40378            10.61128
     C            -5.39111             1.23074             9.90985
     C            -5.54022            -0.00051            10.60959
     C            -5.39237            -1.23086             9.90946
     C            -4.99046            -2.40238            10.61245
     C            -4.32528            -3.44808             9.91173
     C            -3.46011            -4.33334            10.61539
     C            -2.40682            -4.98154             9.90933
     C            -1.23645            -5.38548            10.60862
     C            -0.00580            -5.50980             9.90725
     C             1.22315            -5.38299            10.60810
     C             2.38789            -4.98577             9.90111
     C             3.46430            -4.38337            10.60864
     C             4.37536            -3.54128             9.90169
     C             4.95941            -2.45736            10.61775
     C             5.01507            -1.21397             9.91521
     C             4.75498            -0.00898            12.03988
     C             5.00932             1.19788            12.73107
     C             4.94789             2.44523            12.03728
     C             4.32729             3.51143            12.74209
     C             3.44656             4.36890            12.03234
     C             2.39156             5.00411            12.73530
     C             1.22159             5.39527            12.02840
     C            -0.00983             5.52516            12.73185
     C            -1.24413             5.39860            12.02942
     C            -2.41270             4.99075            12.73455
     C            -3.46871             4.34670            12.03405
     C            -4.33253             3.45907            12.73280
     C            -4.98975             2.40768            12.03184
     C            -5.39248             1.23225            12.73163
     C            -5.54105            -0.00104            12.02973
     C            -5.39509            -1.23310            12.73224
     C            -4.99203            -2.40567            12.03202
     C            -4.33184            -3.45139            12.73454
     C            -3.46255            -4.33267            12.03503
     C            -2.40455            -4.98260            12.73217
     C            -1.23392            -5.38902            12.02813
     C            -0.00079            -5.52181            12.73075
     C             1.22976            -5.39831            12.02643
     C             2.39567            -5.00659            12.73646
     C             3.45828            -4.37728            12.03517
     C             4.34649            -3.52562            12.74586
     C             4.95678            -2.46006            12.03783
     C             5.02399            -1.21588            12.73051
     C             5.61382            -0.01889            14.83815
     C             5.32619             1.19899            14.12705
     C             4.94295             2.37314            14.85351
     C             4.27453             3.42206            14.15654
     C             3.40398             4.29188            14.86295
     C             2.38613             4.97300            14.15081
     C             1.22076             5.36609            14.85627
     C            -0.00463             5.50707            14.15151
     C            -1.22810             5.36263            14.85403
     C            -2.39799             4.96593            14.15276
     C            -3.43723             4.30169            14.85858
     C            -4.31224             3.43955            14.14945
     C            -4.95450             2.39149            14.85629
     C            -5.36907             1.22958            14.15191
     C            -5.49976             0.00170            14.85673
     C            -5.37310            -1.22582            14.15144
     C            -4.95650            -2.38735            14.85635
     C            -4.31133            -3.43834            14.15146
     C            -3.43023            -4.30308            14.85581
     C            -2.38687            -4.96246            14.15090
     C            -1.22038            -5.35935            14.85578
     C             0.00093            -5.50315            14.14970
     C             1.22385            -5.36420            14.85653
     C             2.39331            -4.97047            14.15296
     C             3.42222            -4.29423            14.86071
     C             4.31890            -3.44637            14.16042
     C             4.99993            -2.40099            14.85844
     C             5.35708            -1.23402            14.12058
     C             5.63848            -0.00132            16.29121
     C             5.52239             1.26872            16.90195
     C             4.93045             2.37438            16.27350
     C             4.27848             3.41198            16.98100
     C             3.41198             4.27848            16.27350
     C             2.37438             4.93045            16.98100
     C             1.21772             5.33518            16.27350
     C             0.00000             5.47239            16.98100
     C            -1.21772             5.33518            16.27350
     C            -2.37438             4.93045            16.98100
     C            -3.41198             4.27848            16.27350
     C            -4.27848             3.41198            16.98100
     C            -4.93045             2.37438            16.27350
     C            -5.33518             1.21772            16.98100
     C            -5.47239             0.00000            16.27350
     C            -5.33518            -1.21772            16.98100
     C            -4.93045            -2.37438            16.27350
     C            -4.27848            -3.41198            16.98100
     C            -3.41198            -4.27848            16.27350
     C            -2.37438            -4.93045            16.98100
     C            -1.21772            -5.33518            16.27350
     C             0.00000            -5.47239            16.98100
     C             1.21772            -5.33518            16.27350
     C             2.37438            -4.93045            16.98100
     C             3.41198            -4.27848            16.27350
     C             4.27848            -3.41198            16.98100
     C             4.93045            -2.37438            16.27350
     C             5.33518            -1.21772            16.98100
     C             6.74127             0.00925            10.57429
     C             6.73540             0.00648            12.03708
     C             7.96519             0.00243             9.96168
     H             7.95955            -0.00098             8.85980
     C             9.19641            -0.00112            10.66693
     H            10.16642            -0.00446            10.13984
     C             9.18554            -0.00100            11.99970
     H            10.14132            -0.00302            12.54625
     C             7.95597             0.00098            12.67282
     H             7.91326            -0.00140            13.77268
          178
 Energy:   -1207.723919409897    
     C             5.47239             0.00000             6.36850
     C             5.33518             1.21772             5.66100
     C             4.93045             2.37438             6.36850
     C             4.27848             3.41198             5.66100
     C             3.41198             4.27848             6.36850
     C             2.37438             4.93045             5.66100
     C             1.21772             5.33518             6.36850
     C             0.00000             5.47239             5.66100
     C            -1.21772             5.33518             6.36850
     C            -2.37438             4.93045             5.66100
     C            -3.41198             4.27848             6.36850
     C            -4.27848             3.41198             5.66100
     C            -4.93045             2.37438             6.36850
     C            -5.33518             1.21772             5.66100
     C            -5.47239             0.00000             6.36850
     C            -5.33518            -1.21772             5.66100
     C            -4.93045            -2.37438             6.36850
     C            -4.27848            -3.41198             5.66100
     C            -3.41198            -4.27848             6.36850
     C            -2.37438            -4.93045             5.66100
     C            -1.21772            -5.33518             6.36850
     C             0.00000            -5.47239             5.66100
     C             1.21772            -5.33518             6.36850
     C             2.37438            -4.93045             5.66100
     C             3.41198            -4.27848             6.36850
     C             4.27848            -3.41198             5.66100
     C             4.93045            -2.37438             6.36850
     C             5.33518            -1.21772             5.66100
     C             5.48554            -0.00556             7.81368
     C             5.23561             1.21424             8.51582
     C             4.97393             2.40561             7.78694
     C             4.35519             3.48720             8.48823
     C             3.41657             4.28691             7.78222
     C             2.37051             4.93758             8.48899
     C             1.20910             5.34304             7.78153
     C            -0.01242             5.51094             8.49324
     C            -1.24032             5.38082             7.78228
     C            -2.41220             4.99239             8.48967
     C            -3.43856             4.31287             7.78206
     C            -4.31184             3.44398             8.49170
     C            -4.95513             2.38700             7.78630
     C            -5.37787             1.22492             8.49674
     C            -5.50545            -0.00720             7.78954
     C            -5.37738            -1.23354             8.50042
     C            -4.95636            -2.38501             7.78294
     C            -4.31666            -3.43498             8.49397
     C            -3.43868            -4.30371             7.78615
     C            -2.39776            -4.97346             8.48846
     C            -1.22671            -5.35980             7.78041
     C            -0.00299            -5.49179             8.49130
     C             1.21650            -5.34346             7.77956
     C             2.38530            -4.95968             8.48780
     C             3.43747            -4.31175             7.78324
     C             4.37990            -3.51087             8.48687
     C             4.98650            -2.41883             7.78778
     C             5.23505            -1.22366             8.51850
     C             4.67862            -0.00548            10.60915
     C             4.92573             1.21131             9.91030
     C             4.87804             2.44357            10.62297
     C             4.38473             3.57212             9.90965
     C             3.47812             4.43246            10.60832
     C             2.38067             5.00338             9.90228
     C             1.21645             5.41856            10.61271
     C            -0.01640             5.54042             9.91025
     C            -1.25453             5.42728            10.61159
     C            -2.42940             5.02146             9.90594
     C            -3.48678             4.36899            10.61169
     C            -4.34467             3.46573             9.90992
     C            -5.01279             2.41626            10.61394
     C            -5.40746             1.23524             9.91499
     C            -5.56574             0.00227            10.61739
     C            -5.41290            -1.23256             9.91681
     C            -5.01818            -2.41304            10.61481
     C            -4.34594            -3.46066             9.91171
     C            -3.47552            -4.35589            10.61141
     C            -2.41263            -5.00050             9.90472
     C            -1.24263            -5.41088            10.61114
     C            -0.00963            -5.52608             9.90592
     C             1.22463            -5.42337            10.60868
     C             2.39777            -5.02000             9.90382
     C             3.49297            -4.44200            10.61174
     C             4.39677            -3.58661             9.90630
     C             4.87947            -2.45361            10.61569
     C             4.92267            -1.21937             9.90909
     C             4.68110            -0.01345            12.04234
     C             4.92390             1.19733            12.74109
     C             4.86634             2.43063            12.03675
     C             4.35166             3.55117            12.74127
     C             3.47366             4.43355            12.03157
     C             2.38780             5.03685            12.73997
     C             1.22001             5.43563            12.02761
     C            -0.01197             5.55442            12.73230
     C            -1.24841             5.42319            12.03087
     C            -2.41844             5.00620            12.73568
     C            -3.48783             4.36708            12.03165
     C            -4.35334             3.47063            12.73479
     C            -5.01699             2.41789            12.03157
     C            -5.41107             1.23545            12.72944
     C            -5.56677            -0.00066            12.03347
     C            -5.41407            -1.23555            12.73224
     C            -5.01964            -2.41437            12.03112
     C            -4.35021            -3.46253            12.73609
     C            -3.47961            -4.35515            12.03216
     C            -2.41147            -4.99870            12.73246
     C            -1.24118            -5.41441            12.02859
     C            -0.00713            -5.54806            12.73111
     C             1.22720            -5.43696            12.02629
     C             2.39769            -5.03615            12.74149
     C             3.48530            -4.44053            12.03356
     C             4.38108            -3.57565            12.74105
     C             4.88688            -2.45155            12.02949
     C             4.94784            -1.22211            12.73836
     C             5.56654            -0.01488            14.80948
     C             5.24371             1.20507            14.12752
     C             4.93908             2.38845            14.84961
     C             4.30991             3.45890            14.15179
     C             3.40999             4.29334            14.85615
     C             2.37818             4.98242            14.15616
     C             1.21303             5.37594            14.86260
     C            -0.00565             5.52292            14.14890
     C            -1.22967             5.36822            14.86062
     C            -2.40029             4.97350            14.15279
     C            -3.43707             4.30647            14.85956
     C            -4.32231             3.44673            14.15212
     C            -4.96296             2.38946            14.85758
     C            -5.37878             1.23010            14.14525
     C            -5.50443             0.00094            14.85371
     C            -5.38054            -1.23095            14.14839
     C            -4.96144            -2.38990            14.85947
     C            -4.31869            -3.44295            14.15333
     C            -3.43407            -4.30382            14.85903
     C            -2.39556            -4.96721            14.14930
     C            -1.22772            -5.36360            14.85959
     C            -0.00246            -5.51856            14.14908
     C             1.22221            -5.37061            14.86000
     C             2.39049            -4.97667            14.15765
     C             3.42544            -4.30025            14.86105
     C             4.35236            -3.49258            14.15647
     C             4.98829            -2.42095            14.84981
     C             5.28254            -1.23398            14.12360
     C             5.62640            -0.01479            16.26513
     C             5.47763             1.23344            16.90769
     C             4.93045             2.37438            16.27350
     C             4.27848             3.41198            16.98100
     C             3.41198             4.27848            16.27350
     C             2.37438             4.93045            16.98100
     C             1.21772             5.33518            16.27350
     C             0.00000             5.47239            16.98100
     C            -1.21772             5.33518            16.27350
     C            -2.37438             4.93045            16.98100
     C            -3.41198             4.27848            16.27350
     C            -4.27848             3.41198            16.98100
     C            -4.93045             2.37438            16.27350
     C            -5.33518             1.21772            16.98100
     C            -5.47239             0.00000            16.27350
     C            -5.33518            -1.21772            16.98100
     C            -4.93045            -2.37438            16.27350
     C            -4.27848            -3.41198            16.98100
     C            -3.41198            -4.27848            16.27350
     C            -2.37438            -4.93045            16.98100
     C            -1.21772            -5.33518            16.27350
     C             0.00000            -5.47239            16.98100
     C             1.21772            -5.33518            16.27350
     C             2.37438            -4.93045            16.98100
     C             3.41198            -4.27848            16.27350
     C             4.27848            -3.41198            16.98100
     C             4.93045            -2.37438            16.27350
     C             5.33518            -1.21772            16.98100
     C             6.68372             0.01251            10.66145
     C             6.69194             0.01058            11.93691
     C             7.91556             0.00358             9.92818
     H             7.94326             0.00016             8.83496
     C             9.06138            -0.00145            10.62032
     H            10.01282            -0.00654            10.08172
     C             9.06155            -0.00161            12.04699
     H            10.00304            -0.00557            12.60171
     C             7.88937             0.00145            12.71172
     H             7.90501            -0.00229            13.80432
          178
 Energy:   -1207.746277023926    
     C             5.47239             0.00000             6.36850
     C             5.33518             1.21772             5.66100
     C             4.93045             2.37438             6.36850
     C             4.27848             3.41198             5.66100
     C             3.41198             4.27848             6.36850
     C             2.37438             4.93045             5.66100
     C             1.21772             5.33518             6.36850
     C             0.00000             5.47239             5.66100
     C            -1.21772             5.33518             6.36850
     C            -2.37438             4.93045             5.66100
     C            -3.41198             4.27848             6.36850
     C            -4.27848             3.41198             5.66100
     C            -4.93045             2.37438             6.36850
     C            -5.33518             1.21772             5.66100
     C            -5.47239             0.00000             6.36850
     C            -5.33518            -1.21772             5.66100
     C            -4.93045            -2.37438             6.36850
     C            -4.27848            -3.41198             5.66100
     C            -3.41198            -4.27848             6.36850
     C            -2.37438            -4.93045             5.66100
     C            -1.21772            -5.33518             6.36850
     C             0.00000            -5.47239             5.66100
     C             1.21772            -5.33518             6.36850
     C             2.37438            -4.93045             5.66100
     C             3.41198            -4.27848             6.36850
     C             4.27848            -3.41198             5.66100
     C             4.93045            -2.37438             6.36850
     C             5.33518            -1.21772             5.66100
     C             5.35412            -0.00217             7.80424
     C             5.14359             1.21694             8.51178
     C             4.94061             2.42641             7.79343
     C             4.39338             3.55104             8.49130
     C             3.43718             4.33128             7.78343
     C             2.37619             4.95883             8.49248
     C             1.20485             5.34766             7.78740
     C            -0.01901             5.51404             8.49037
     C            -1.23994             5.37905             7.78442
     C            -2.41896             5.00860             8.48803
     C            -3.44822             4.32009             7.78502
     C            -4.32932             3.45524             8.49221
     C            -4.96294             2.39244             7.78894
     C            -5.38676             1.23022             8.49527
     C            -5.51081             0.00035             7.78830
     C            -5.39303            -1.23017             8.49694
     C            -4.96576            -2.39163             7.78996
     C            -4.32920            -3.45273             8.49316
     C            -3.44164            -4.30908             7.78530
     C            -2.40732            -4.98179             8.48919
     C            -1.23540            -5.35916             7.78276
     C            -0.01418            -5.50115             8.48827
     C             1.21607            -5.35337             7.78960
     C             2.39477            -4.97828             8.49305
     C             3.44897            -4.34847             7.77939
     C             4.39755            -3.56507             8.48798
     C             4.93456            -2.43073             7.79503
     C             5.13346            -1.22028             8.51105
     C             4.66870            -0.00542            10.60417
     C             4.87670             1.21034             9.90342
     C             4.76492             2.42658            10.61821
     C             4.38351             3.60241             9.91550
     C             3.51587             4.50566            10.61130
     C             2.39910             5.04860             9.91046
     C             1.21920             5.45318            10.60820
     C            -0.02362             5.55605             9.90904
     C            -1.25993             5.44097            10.61272
     C            -2.43800             5.03613             9.91139
     C            -3.50382             4.38110            10.60772
     C            -4.36423             3.47921             9.91087
     C            -5.03145             2.42728            10.61063
     C            -5.42363             1.23977             9.91720
     C            -5.58190             0.00192            10.61661
     C            -5.43054            -1.23832             9.91974
     C            -5.03633            -2.42485            10.61441
     C            -4.36222            -3.47232             9.91292
     C            -3.49161            -4.36647            10.60599
     C            -2.42428            -5.01442             9.90995
     C            -1.24941            -5.42912            10.60981
     C            -0.01143            -5.54661             9.90782
     C             1.23184            -5.45547            10.60950
     C             2.41345            -5.06066             9.91045
     C             3.52204            -4.51433            10.61179
     C             4.38655            -3.61549             9.91184
     C             4.77270            -2.44037            10.61163
     C             4.87099            -1.21949             9.90232
     C             4.67249            -0.01512            12.03203
     C             4.87652             1.19716            12.74371
     C             4.74773             2.41564            12.02659
     C             4.34499             3.57998            12.73250
     C             3.50474             4.50330            12.03576
     C             2.39940             5.06859            12.73464
     C             1.21917             5.46872            12.03451
     C            -0.02101             5.58198            12.73252
     C            -1.25671             5.44340            12.03344
     C            -2.42703             5.01919            12.73168
     C            -3.49855             4.37763            12.03256
     C            -4.36995             3.48084            12.73180
     C            -5.03653             2.42574            12.03344
     C            -5.42762             1.24170            12.73007
     C            -5.58311             0.00300            12.03848
     C            -5.43176            -1.23756            12.73265
     C            -5.03826            -2.42394            12.03750
     C            -4.36146            -3.47706            12.72983
     C            -3.48907            -4.36891            12.02882
     C            -2.42211            -5.00967            12.73090
     C            -1.25180            -5.43400            12.03196
     C            -0.01527            -5.57465            12.73264
     C             1.22812            -5.46483            12.03659
     C             2.40895            -5.06684            12.73419
     C             3.51986            -4.51536            12.03469
     C             4.38480            -3.61253            12.72787
     C             4.78050            -2.44494            12.02148
     C             4.90918            -1.22683            12.73812
     C             5.45388            -0.01851            14.82609
     C             5.16300             1.20515            14.14052
     C             4.91412             2.41414            14.85450
     C             4.34969             3.52105            14.15388
     C             3.41857             4.32655            14.86318
     C             2.37937             4.98916            14.15500
     C             1.20855             5.38540            14.85964
     C            -0.01599             5.54493            14.15188
     C            -1.23376             5.37584            14.85580
     C            -2.40274             4.98686            14.15159
     C            -3.43920             4.31223            14.85560
     C            -4.33634             3.45505            14.15435
     C            -4.97212             2.38957            14.85532
     C            -5.39365             1.22741            14.14942
     C            -5.51026            -0.00183            14.85559
     C            -5.39287            -1.23066            14.15201
     C            -4.96958            -2.39082            14.85643
     C            -4.33054            -3.44982            14.15194
     C            -3.43938            -4.30568            14.85689
     C            -2.40550            -4.97871            14.15107
     C            -1.23250            -5.37117            14.85305
     C            -0.00843            -5.53731            14.15198
     C             1.21429            -5.37716            14.85993
     C             2.38699            -4.98676            14.15359
     C             3.43515            -4.33896            14.86221
     C             4.38923            -3.55425            14.15424
     C             4.95494            -2.43454            14.85603
     C             5.19923            -1.23583            14.12992
     C             5.59649            -0.03126            16.25292
     C             5.43655             1.21369            16.87581
     C             4.93045             2.37438            16.27350
     C             4.27848             3.41198            16.98100
     C             3.41198             4.27848            16.27350
     C             2.37438             4.93045            16.98100
     C             1.21772             5.33518            16.27350
     C             0.00000             5.47239            16.98100
     C            -1.21772             5.33518            16.27350
     C            -2.37438             4.93045            16.98100
     C            -3.41198             4.27848            16.27350
     C            -4.27848             3.41198            16.98100
     C            -4.93045             2.37438            16.27350
     C            -5.33518             1.21772            16.98100
     C            -5.47239             0.00000            16.27350
     C            -5.33518            -1.21772            16.98100
     C            -4.93045            -2.37438            16.27350
     C            -4.27848            -3.41198            16.98100
     C            -3.41198            -4.27848            16.27350
     C            -2.37438            -4.93045            16.98100
     C            -1.21772            -5.33518            16.27350
     C             0.00000            -5.47239            16.98100
     C             1.21772            -5.33518            16.27350
     C             2.37438            -4.93045            16.98100
     C             3.41198            -4.27848            16.27350
     C             4.27848            -3.41198            16.98100
     C             4.93045            -2.37438            16.27350
     C             5.33518            -1.21772            16.98100
     C             6.65414             0.01612            10.54287
     C             6.65956             0.01500            12.05279
     C             7.81193             0.00528             9.80586
     H             7.82673             0.00347             8.72105
     C             9.01092            -0.00227            10.64082
     H             9.96942            -0.00844            10.13411
     C             8.99966            -0.00289            12.02728
     H             9.94565            -0.00859            12.55426
     C             7.78888             0.00253            12.82824
     H             7.75360            -0.00202            13.91201
          178
 Energy:   -1207.561296106935    
     C             5.47239             0.00000             6.36850
     C             5.33518             1.21772             5.66100
     C             4.93045             2.37438             6.36850
     C             4.27848             3.41198             5.66100
     C             3.41198             4.27848             6.36850
     C             2.37438             4.93045             5.66100
     C             1.21772             5.33518             6.36850
     C             0.00000             5.47239             5.66100
     C            -1.21772             5.33518             6.36850
     C            -2.37438             4.93045             5.66100
     C            -3.41198             4.27848             6.36850
     C            -4.27848             3.41198             5.66100
     C            -4.93045             2.37438             6.36850
     C            -5.33518             1.21772             5.66100
     C            -5.47239             0.00000             6.36850
     C            -5.33518            -1.21772             5.66100
     C            -4.93045            -2.37438             6.36850
     C            -4.27848            -3.41198             5.66100
     C            -3.41198            -4.27848             6.36850
     C            -2.37438            -4.93045             5.66100
     C            -1.21772            -5.33518             6.36850
     C             0.00000            -5.47239             5.66100
     C             1.21772            -5.33518             6.36850
     C             2.37438            -4.93045             5.66100
     C             3.41198            -4.27848             6.36850
     C             4.27848            -3.41198             5.66100
     C             4.93045            -2.37438             6.36850
     C             5.33518            -1.21772             5.66100
     C             5.20415             0.00102             7.77427
     C             5.05298             1.21879             8.49906
     C             4.91104             2.44267             7.79234
     C             4.40200             3.59407             8.48760
     C             3.46589             4.40330             7.78284
     C             2.38746             5.00246             8.49866
     C             1.20708             5.35599             7.78747
     C            -0.01842             5.52079             8.49396
     C            -1.24514             5.37923             7.78425
     C            -2.42827             5.01698             8.49458
     C            -3.45917             4.33033             7.78783
     C            -4.35000             3.46511             8.49158
     C            -4.97525             2.39635             7.78526
     C            -5.39701             1.23684             8.49472
     C            -5.51706             0.00718             7.78602
     C            -5.40829            -1.22781             8.49286
     C            -4.98141            -2.39607             7.78914
     C            -4.34590            -3.46384             8.49226
     C            -3.45065            -4.31693             7.78374
     C            -2.41909            -4.98931             8.49619
     C            -1.24051            -5.36550             7.78799
     C            -0.01113            -5.51709             8.49593
     C             1.21551            -5.36536             7.78752
     C             2.39805            -5.01965             8.49667
     C             3.46686            -4.41043             7.77854
     C             4.39046            -3.58969             8.48345
     C             4.88987            -2.43857             7.78661
     C             5.03643            -1.21837             8.49335
     C             4.64197            -0.00842            10.61048
     C             4.82961             1.20316             9.90436
     C             4.65373             2.41900            10.60989
     C             4.34739             3.61722             9.91185
     C             3.54261             4.57709            10.61388
     C             2.41562             5.10811             9.91378
     C             1.22196             5.47836            10.61064
     C            -0.02304             5.57135             9.91130
     C            -1.26593             5.44838            10.61104
     C            -2.44663             5.04391             9.91257
     C            -3.50829             4.38765            10.61314
     C            -4.38123             3.49151             9.91216
     C            -5.04415             2.42981            10.61133
     C            -5.43682             1.24263             9.91260
     C            -5.58713             0.00074            10.61265
     C            -5.44380            -1.24232             9.91323
     C            -5.04707            -2.42879            10.61450
     C            -4.37581            -3.48319             9.91173
     C            -3.49871            -4.37180            10.61122
     C            -2.43568            -5.02281             9.91251
     C            -1.25683            -5.43815            10.61071
     C            -0.01139            -5.56804             9.91449
     C             1.23184            -5.47800            10.61522
     C             2.42086            -5.11947             9.91145
     C             3.54825            -4.58779            10.60997
     C             4.34730            -3.62476             9.90606
     C             4.67066            -2.43614            10.60988
     C             4.82398            -1.21777             9.90034
     C             4.64216            -0.01632            12.03632
     C             4.83022             1.19826            12.73921
     C             4.63612             2.41019            12.02733
     C             4.31220             3.59552            12.73573
     C             3.52880             4.56825            12.03759
     C             2.40878             5.11392            12.73501
     C             1.22231             5.49149            12.03186
     C            -0.02451             5.60501            12.73312
     C            -1.26649             5.45671            12.03100
     C            -2.43926             5.02908            12.72858
     C            -3.50427             4.37757            12.03222
     C            -4.37882             3.49000            12.73157
     C            -5.04578             2.43317            12.03265
     C            -5.44265             1.24518            12.73571
     C            -5.58902             0.00194            12.03412
     C            -5.44428            -1.24146            12.73439
     C            -5.04589            -2.43033            12.03592
     C            -4.37170            -3.48466            12.72922
     C            -3.49643            -4.36914            12.02814
     C            -2.43340            -5.02039            12.72917
     C            -1.25807            -5.44741            12.03181
     C            -0.01594            -5.59576            12.73247
     C             1.22941            -5.48328            12.03358
     C             2.41718            -5.11285            12.73504
     C             3.54890            -4.58975            12.03580
     C             4.35742            -3.63043            12.73396
     C             4.68233            -2.44619            12.02308
     C             4.86605            -1.23209            12.72485
     C             5.30972            -0.03647            14.84045
     C             5.08799             1.20455            14.14442
     C             4.89368             2.43184            14.84735
     C             4.36364             3.57302            14.15611
     C             3.44137             4.38879            14.86304
     C             2.38147             5.01199            14.14601
     C             1.21079             5.38935            14.85160
     C            -0.01685             5.56689            14.15231
     C            -1.24351             5.38961            14.85853
     C            -2.41715             4.99601            14.14634
     C            -3.45005             4.31614            14.85482
     C            -4.34768             3.46199            14.14861
     C            -4.97948             2.39767            14.85638
     C            -5.40747             1.23289            14.15578
     C            -5.52026            -0.00052            14.86059
     C            -5.40758            -1.23179            14.15311
     C            -4.97825            -2.39622            14.85398
     C            -4.34226            -3.45768            14.14538
     C            -3.44811            -4.31189            14.85494
     C            -2.41325            -4.99156            14.14807
     C            -1.24036            -5.38381            14.85857
     C            -0.01627            -5.55460            14.15122
     C             1.21124            -5.38057            14.85248
     C             2.38617            -5.01372            14.14630
     C             3.46091            -4.40124            14.85838
     C             4.40227            -3.59362            14.15669
     C             4.92164            -2.44952            14.84855
     C             5.11421            -1.24419            14.12505
     C             5.52886            -0.02385            16.25904
     C             5.42115             1.22044            16.85511
     C             4.93045             2.37438            16.27350
     C             4.27848             3.41198            16.98100
     C             3.41198             4.27848            16.27350
     C             2.37438             4.93045            16.98100
     C             1.21772             5.33518            16.27350
     C             0.00000             5.47239            16.98100
     C            -1.21772             5.33518            16.27350
     C            -2.37438             4.93045            16.98100
     C            -3.41198             4.27848            16.27350
     C            -4.27848             3.41198            16.98100
     C            -4.93045             2.37438            16.27350
     C            -5.33518             1.21772            16.98100
     C            -5.47239             0.00000            16.27350
     C            -5.33518            -1.21772            16.98100
     C            -4.93045            -2.37438            16.27350
     C            -4.27848            -3.41198            16.98100
     C            -3.41198            -4.27848            16.27350
     C            -2.37438            -4.93045            16.98100
     C            -1.21772            -5.33518            16.27350
     C             0.00000            -5.47239            16.98100
     C             1.21772            -5.33518            16.27350
     C             2.37438            -4.93045            16.98100
     C             3.41198            -4.27848            16.27350
     C             4.27848            -3.41198            16.98100
     C             4.93045            -2.37438            16.27350
     C             5.33518            -1.21772            16.98100
     C             6.63982             0.02159            10.62987
     C             6.63860             0.02226            11.96535
     C             7.84609             0.00661             9.79070
     H             7.80035             0.00628             8.71291
     C             8.93289            -0.00332            10.59344
     H             9.90181            -0.00979            10.14324
     C             8.92019            -0.00490            12.06927
     H             9.87946            -0.01251            12.54085
     C             7.81621             0.00374            12.83917
     H             7.72367            -0.00105            13.91273
          178
 Energy:   -1207.485701843865    
     C             5.47239             0.00000             6.36850
     C             5.33518             1.21772             5.66100
     C             4.93045             2.37438             6.36850
     C             4.27848             3.41198             5.66100
     C             3.41198             4.27848             6.36850
     C             2.37438             4.93045             5.66100
     C             1.21772             5.33518             6.36850
     C             0.00000             5.47239             5.66100
     C            -1.21772             5.33518             6.36850
     C            -2.37438             4.93045             5.66100
     C            -3.41198             4.27848             6.36850
     C            -4.27848             3.41198             5.66100
     C            -4.93045             2.37438             6.36850
     C            -5.33518             1.21772             5.66100
     C            -5.47239             0.00000             6.36850
     C            -5.33518            -1.21772             5.66100
     C            -4.93045            -2.37438             6.36850
     C            -4.27848            -3.41198             5.66100
     C            -3.41198            -4.27848             6.36850
     C            -2.37438            -4.93045             5.66100
     C            -1.21772            -5.33518             6.36850
     C             0.00000            -5.47239             5.66100
     C             1.21772            -5.33518             6.36850
     C             2.37438            -4.93045             5.66100
     C             3.41198            -4.27848             6.36850
     C             4.27848            -3.41198             5.66100
     C             4.93045            -2.37438             6.36850
     C             5.33518            -1.21772             5.66100
     C             5.10824             0.00176             7.76834
     C             4.96021             1.21889             8.49623
     C             4.88770             2.44885             7.78762
     C             4.37555             3.60105             8.48492
     C             3.49178             4.46433             7.77065
     C             2.41323             5.07734             8.49104
     C             1.21164             5.37309             7.78697
     C            -0.01727             5.52777             8.49452
     C            -1.24870             5.38388             7.79041
     C            -2.43582             5.01454             8.49165
     C            -3.47206             4.33831             7.78557
     C            -4.36511             3.47841             8.49045
     C            -4.98807             2.40624             7.78525
     C            -5.40986             1.23933             8.48944
     C            -5.52506             0.00221             7.78742
     C            -5.41835            -1.23452             8.48780
     C            -4.99713            -2.39799             7.78266
     C            -4.36543            -3.46330             8.48895
     C            -3.46648            -4.32436             7.78864
     C            -2.42231            -4.99721             8.49268
     C            -1.23667            -5.37842             7.79265
     C            -0.00988            -5.53453             8.49968
     C             1.20988            -5.38514             7.78291
     C             2.40969            -5.08987             8.48692
     C             3.48331            -4.45999             7.77187
     C             4.35140            -3.58457             8.48148
     C             4.86105            -2.43758             7.78212
     C             4.94045            -1.21387             8.49121
     C             4.65865            -0.01122            10.61599
     C             4.75526             1.21223             9.89764
     C             4.57036             2.42018            10.61542
     C             4.29507             3.62399             9.90874
     C             3.54325             4.62919            10.60746
     C             2.42429             5.18136             9.91170
     C             1.22359             5.50108            10.61292
     C            -0.02026             5.58029             9.91722
     C            -1.26600             5.45321            10.60809
     C            -2.45018             5.04366             9.91457
     C            -3.51134             4.38203            10.61105
     C            -4.39184             3.49601             9.91401
     C            -5.04939             2.43062            10.61194
     C            -5.44168             1.24398             9.91282
     C            -5.58431             0.00107            10.60744
     C            -5.44873            -1.24108             9.90961
     C            -5.05051            -2.42655            10.60644
     C            -4.38624            -3.48728             9.91240
     C            -3.50238            -4.36929            10.61253
     C            -2.43757            -5.02560             9.91663
     C            -1.25934            -5.44222            10.61187
     C            -0.01875            -5.58186             9.92065
     C             1.22463            -5.50028            10.61372
     C             2.42843            -5.19079             9.90955
     C             3.55448            -4.64272            10.60302
     C             4.29334            -3.62998             9.90072
     C             4.59589            -2.44053            10.60874
     C             4.75465            -1.22941             9.89359
     C             4.65120            -0.01768            12.03189
     C             4.75969             1.20538            12.74343
     C             4.56163             2.41218            12.02844
     C             4.27071             3.60752            12.73582
     C             3.53032             4.61842            12.03864
     C             2.41236             5.17364            12.73065
     C             1.21797             5.51201            12.03252
     C            -0.02417             5.61753            12.72526
     C            -1.26736             5.46327            12.03208
     C            -2.44397             5.03630            12.72905
     C            -3.50482             4.37597            12.03245
     C            -4.38409             3.48730            12.72915
     C            -5.05079             2.42837            12.03582
     C            -5.44970             1.24451            12.73224
     C            -5.58634             0.00040            12.03294
     C            -5.44768            -1.24325            12.72916
     C            -5.04873            -2.42435            12.02989
     C            -4.38141            -3.47956            12.72938
     C            -3.49780            -4.36630            12.03580
     C            -2.43490            -5.03023            12.72817
     C            -1.25935            -5.45330            12.03253
     C            -0.01928            -5.60407            12.72677
     C             1.22480            -5.50184            12.03469
     C             2.42441            -5.17553            12.73220
     C             3.55590            -4.64346            12.03946
     C             4.31438            -3.64338            12.73521
     C             4.61584            -2.45395            12.01898
     C             4.79337            -1.24495            12.72788
     C             5.18274            -0.03198            14.83478
     C             5.01006             1.20138            14.13335
     C             4.88158             2.43433            14.84342
     C             4.35040             3.57950            14.15271
     C             3.47265             4.44480            14.86655
     C             2.39650             5.06661            14.15123
     C             1.20572             5.39559            14.86101
     C            -0.02156             5.57880            14.15073
     C            -1.25122             5.40562            14.85306
     C            -2.42858             5.00566            14.15220
     C            -3.46219             4.32301            14.85631
     C            -4.35489             3.46703            14.15132
     C            -4.98842             2.40526            14.85794
     C            -5.41879             1.24175            14.15525
     C            -5.53302             0.00325            14.85442
     C            -5.42013            -1.23568            14.15287
     C            -4.98809            -2.40099            14.85628
     C            -4.35103            -3.46427            14.15203
     C            -3.45624            -4.32340            14.85422
     C            -2.42128            -5.00256            14.15028
     C            -1.24849            -5.39902            14.85623
     C            -0.02044            -5.56447            14.15038
     C             1.20734            -5.38732            14.85808
     C             2.40752            -5.06646            14.15442
     C             3.48645            -4.45380            14.87161
     C             4.37537            -3.60764            14.15593
     C             4.90094            -2.46313            14.84591
     C             5.02784            -1.25413            14.11434
     C             5.42037            -0.01648            16.25194
     C             5.44836             1.23395            16.88632
     C             4.93045             2.37438            16.27350
     C             4.27848             3.41198            16.98100
     C             3.41198             4.27848            16.27350
     C             2.37438             4.93045            16.98100
     C             1.21772             5.33518            16.27350
     C             0.00000             5.47239            16.98100
     C            -1.21772             5.33518            16.27350
     C            -2.37438             4.93045            16.98100
     C            -3.41198             4.27848            16.27350
     C            -4.27848             3.41198            16.98100
     C            -4.93045             2.37438            16.27350
     C            -5.33518             1.21772            16.98100
     C            -5.47239             0.00000            16.27350
     C            -5.33518            -1.21772            16.98100
     C            -4.93045            -2.37438            16.27350
     C            -4.27848            -3.41198            16.98100
     C            -3.41198            -4.27848            16.27350
     C            -2.37438            -4.93045            16.98100
     C            -1.21772            -5.33518            16.27350
     C             0.00000            -5.47239            16.98100
     C             1.21772            -5.33518            16.27350
     C             2.37438            -4.93045            16.98100
     C             3.41198            -4.27848            16.27350
     C             4.27848            -3.41198            16.98100
     C             4.93045            -2.37438            16.27350
     C             5.33518            -1.21772            16.98100
     C             6.64164             0.02800            10.59239
     C             6.63264             0.03053            11.99936
     C             7.77256             0.00981             9.90576
     H             7.78455             0.00900             8.83485
     C             8.99695            -0.00607            10.65013
     H             9.92341            -0.01490            10.10216
     C             8.98886            -0.00852            12.00561
     H             9.90627            -0.02094            12.57482
     C             7.73798             0.00722            12.72221
     H             7.73757             0.00240            13.79296
          178
 Energy:   -1207.535471745935    
     C             5.47239             0.00000             6.36850
     C             5.33518             1.21772             5.66100
     C             4.93045             2.37438             6.36850
     C             4.27848             3.41198             5.66100
     C             3.41198             4.27848             6.36850
     C             2.37438             4.93045             5.66100
     C             1.21772             5.33518             6.36850
     C             0.00000             5.47239             5.66100
     C            -1.21772             5.33518             6.36850
     C            -2.37438             4.93045             5.66100
     C            -3.41198             4.27848             6.36850
     C            -4.27848             3.41198             5.66100
     C            -4.93045             2.37438             6.36850
     C            -5.33518             1.21772             5.66100
     C            -5.47239             0.00000             6.36850
     C            -5.33518            -1.21772             5.66100
     C            -4.93045            -2.37438             6.36850
     C            -4.27848            -3.41198             5.66100
     C            -3.41198            -4.27848             6.36850
     C            -2.37438            -4.93045             5.66100
     C            -1.21772            -5.33518             6.36850
     C             0.00000            -5.47239             5.66100
     C             1.21772            -5.33518             6.36850
     C             2.37438            -4.93045             5.66100
     C             3.41198            -4.27848             6.36850
     C             4.27848            -3.41198             5.66100
     C             4.93045            -2.37438             6.36850
     C             5.33518            -1.21772             5.66100
     C             5.09315             0.00364             7.77618
     C             4.88262             1.21700             8.49425
     C             4.84626             2.44389             7.79402
     C             4.33003             3.58947             8.49100
     C             3.49785             4.48311             7.76786
     C             2.44649             5.17173             8.47057
     C             1.21686             5.40991             7.78526
     C            -0.01481             5.53395             8.49518
     C            -1.24523             5.38628             7.78814
     C            -2.43416             5.01089             8.48972
     C            -3.47915             4.34210             7.78257
     C            -4.37797             3.48675             8.49096
     C            -5.00166             2.41112             7.78828
     C            -5.42099             1.23863             8.48913
     C            -5.53360            -0.00005             7.78560
     C            -5.42678            -1.23726             8.48763
     C            -5.00599            -2.40404             7.78332
     C            -4.37431            -3.47045             8.48905
     C            -3.47183            -4.33058             7.78752
     C            -2.42352            -5.00199             8.49229
     C            -1.24263            -5.38824             7.78574
     C            -0.01715            -5.55014             8.49503
     C             1.21395            -5.42257             7.78581
     C             2.43934            -5.17260             8.47166
     C             3.47598            -4.47185             7.76472
     C             4.29907            -3.57618             8.48749
     C             4.82168            -2.43344             7.79323
     C             4.86635            -1.20743             8.49157
     C             4.56721            -0.01026            10.59991
     C             4.66425             1.21533             9.90044
     C             4.51671             2.42957            10.61655
     C             4.24163             3.62491             9.90989
     C             3.51761             4.64937            10.60592
     C             2.43561             5.25654             9.89374
     C             1.22132             5.53365            10.60895
     C            -0.02413             5.58212             9.91105
     C            -1.26635             5.45191            10.61101
     C            -2.44531             5.03320             9.91052
     C            -3.50848             4.37342            10.60966
     C            -4.39449             3.49089             9.91055
     C            -5.04900             2.42887            10.61152
     C            -5.43839             1.24476             9.90898
     C            -5.57687             0.00251            10.60926
     C            -5.44380            -1.23805             9.90562
     C            -5.04846            -2.42032            10.60486
     C            -4.38985            -3.48155             9.90811
     C            -3.50124            -4.36197            10.61217
     C            -2.43602            -5.01903             9.91255
     C            -1.26272            -5.44209            10.61374
     C            -0.02428            -5.58675             9.91232
     C             1.22274            -5.53271            10.61100
     C             2.43734            -5.26467             9.89500
     C             3.52987            -4.66649            10.60252
     C             4.24096            -3.63718             9.90173
     C             4.54831            -2.45228            10.60685
     C             4.67165            -1.22934             9.89735
     C             4.56987            -0.02218            12.02852
     C             4.67799             1.20217            12.73082
     C             4.51958             2.42231            12.02561
     C             4.23378             3.61543            12.72709
     C             3.50835             4.64063            12.03150
     C             2.42020             5.23712            12.74683
     C             1.21472             5.54040            12.03231
     C            -0.03091             5.61783            12.73169
     C            -1.26758             5.46225            12.03176
     C            -2.44109             5.03712            12.73378
     C            -3.50321             4.37092            12.03307
     C            -4.38031             3.47855            12.73360
     C            -5.04820             2.42275            12.03111
     C            -5.44723             1.23948            12.72903
     C            -5.57958             0.00188            12.02897
     C            -5.44416            -1.23689            12.72848
     C            -5.04464            -2.41853            12.02449
     C            -4.37842            -3.47270            12.73450
     C            -3.49594            -4.36131            12.03601
     C            -2.43628            -5.02915            12.73353
     C            -1.26257            -5.45094            12.03302
     C            -0.02519            -5.60001            12.73394
     C             1.22116            -5.53053            12.03528
     C             2.43584            -5.24397            12.74772
     C             3.53348            -4.66735            12.02853
     C             4.27195            -3.65462            12.72559
     C             4.57208            -2.46863            12.01464
     C             4.70747            -1.24825            12.72594
     C             5.08795            -0.01793            14.83643
     C             4.92907             1.20473            14.13146
     C             4.85361             2.42535            14.84645
     C             4.31859             3.56476            14.14732
     C             3.48461             4.46245            14.87143
     C             2.42414             5.14622            14.16887
     C             1.20393             5.41645            14.85635
     C            -0.02376             5.57673            14.14806
     C            -1.25221             5.41459            14.85534
     C            -2.43197             5.02016            14.15369
     C            -3.46565             4.33437            14.85846
     C            -4.36068             3.47041            14.15355
     C            -4.99924             2.40431            14.85582
     C            -5.42877             1.24138            14.14713
     C            -5.54294             0.00259            14.85184
     C            -5.42743            -1.23698            14.14813
     C            -4.99797            -2.39928            14.85789
     C            -4.36011            -3.46566            14.15567
     C            -3.46370            -4.33239            14.85795
     C            -2.42770            -5.01583            14.15172
     C            -1.24727            -5.40923            14.85315
     C            -0.01608            -5.56335            14.15064
     C             1.21375            -5.40847            14.85696
     C             2.43175            -5.14790            14.16948
     C             3.48345            -4.47677            14.87627
     C             4.33755            -3.60354            14.15046
     C             4.87548            -2.46439            14.85024
     C             4.94682            -1.24191            14.13308
     C             5.31509             0.00042            16.25962
     C             5.48239             1.23798            16.89870
     C             4.93045             2.37438            16.27350
     C             4.27848             3.41198            16.98100
     C             3.41198             4.27848            16.27350
     C             2.37438             4.93045            16.98100
     C             1.21772             5.33518            16.27350
     C             0.00000             5.47239            16.98100
     C            -1.21772             5.33518            16.27350
     C            -2.37438             4.93045            16.98100
     C            -3.41198             4.27848            16.27350
     C            -4.27848             3.41198            16.98100
     C            -4.93045             2.37438            16.27350
     C            -5.33518             1.21772            16.98100
     C            -5.47239             0.00000            16.27350
     C            -5.33518            -1.21772            16.98100
     C            -4.93045            -2.37438            16.27350
     C            -4.27848            -3.41198            16.98100
     C            -3.41198            -4.27848            16.27350
     C            -2.37438            -4.93045            16.98100
     C            -1.21772            -5.33518            16.27350
     C             0.00000            -5.47239            16.98100
     C             1.21772            -5.33518            16.27350
     C             2.37438            -4.93045            16.98100
     C             3.41198            -4.27848            16.27350
     C             4.27848            -3.41198            16.98100
     C             4.93045            -2.37438            16.27350
     C             5.33518            -1.21772            16.98100
     C             6.60878             0.04109            10.62503
     C             6.59184             0.04559            11.95810
     C             7.89943             0.01059             9.93248
     H             7.88433             0.00890             8.84372
     C             9.05264            -0.00879            10.62065
     H            10.00540            -0.02429            10.09563
     C             9.03432            -0.01218            12.03066
     H             9.97128            -0.03247            12.58650
     C             7.87359             0.00828            12.69078
     H             7.82834             0.00307            13.78004
          178
 Energy:   -1207.182908148353    
     C             5.47239             0.00000             6.36850
     C             5.33518             1.21772             5.66100
     C             4.93045             2.37438             6.36850
     C             4.27848             3.41198             5.66100
     C             3.41198             4.27848             6.36850
     C             2.37438             4.93045             5.66100
     C             1.21772             5.33518             6.36850
     C             0.00000             5.47239             5.66100
     C            -1.21772             5.33518             6.36850
     C            -2.37438             4.93045             5.66100
     C            -3.41198             4.27848             6.36850
     C            -4.27848             3.41198             5.66100
     C            -4.93045             2.37438             6.36850
     C            -5.33518             1.21772             5.66100
     C            -5.47239             0.00000             6.36850
     C            -5.33518            -1.21772             5.66100
     C            -4.93045            -2.37438             6.36850
     C            -4.27848            -3.41198             5.66100
     C            -3.41198            -4.27848             6.36850
     C            -2.37438            -4.93045             5.66100
     C            -1.21772            -5.33518             6.36850
     C             0.00000            -5.47239             5.66100
     C             1.21772            -5.33518             6.36850
     C             2.37438            -4.93045             5.66100
     C             3.41198            -4.27848             6.36850
     C             4.27848            -3.41198             5.66100
     C             4.93045            -2.37438             6.36850
     C             5.33518            -1.21772             5.66100
     C             5.12243             0.00338             7.78152
     C             4.84650             1.20546             8.50113
     C             4.78463             2.43012             7.79213
     C             4.27860             3.57529             8.50002
     C             3.47024             4.48132             7.76828
     C             2.46440             5.24969             8.45569
     C             1.23089             5.46859             7.77431
     C            -0.00990             5.54310             8.48378
     C            -1.24055             5.37976             7.78330
     C            -2.42386             5.00567             8.48705
     C            -3.47475             4.34098             7.78757
     C            -4.38423             3.48422             8.48509
     C            -5.01196             2.40826             7.78348
     C            -5.42559             1.23856             8.48794
     C            -5.54096             0.00376             7.78445
     C            -5.42964            -1.23478             8.48554
     C            -5.00697            -2.40942             7.78706
     C            -4.36977            -3.48181             8.48566
     C            -3.46553            -4.33314             7.78362
     C            -2.42711            -5.00014             8.48881
     C            -1.25178            -5.39075             7.78320
     C            -0.01797            -5.56399             8.48063
     C             1.22717            -5.47898             7.77662
     C             2.45433            -5.24209             8.46110
     C             3.44392            -4.46780             7.76703
     C             4.25430            -3.56951             8.49349
     C             4.76732            -2.42500             7.78741
     C             4.84122            -1.20182             8.49703
     C             4.49436            -0.00795            10.60847
     C             4.57401             1.21224             9.89189
     C             4.48306             2.42952            10.60935
     C             4.19346             3.62405             9.91014
     C             3.47535             4.64528            10.60342
     C             2.44331             5.32297             9.88359
     C             1.22343             5.58087            10.60015
     C            -0.02831             5.58452             9.90835
     C            -1.26602             5.43883            10.60848
     C            -2.43680             5.01541             9.90914
     C            -3.49789             4.36314            10.61221
     C            -4.38589             3.48762             9.91008
     C            -5.04196             2.42319            10.60582
     C            -5.43327             1.24001             9.90813
     C            -5.56546             0.00453            10.60446
     C            -5.43456            -1.23236             9.90794
     C            -5.03865            -2.41478            10.60845
     C            -4.38030            -3.47643             9.90945
     C            -3.49440            -4.34979            10.60969
     C            -2.43559            -5.00620             9.91049
     C            -1.26229            -5.43338            10.60974
     C            -0.02460            -5.59104             9.90795
     C             1.22564            -5.58129            10.60405
     C             2.44269            -5.32858             9.88554
     C             3.48346            -4.66447            10.59904
     C             4.19846            -3.64014             9.90343
     C             4.51603            -2.45220            10.60791
     C             4.58792            -1.22598             9.89269
     C             4.53071            -0.02455            12.01200
     C             4.60653             1.19985            12.72693
     C             4.49512             2.42300            12.01604
     C             4.20299             3.61564            12.72954
     C             3.47151             4.63557            12.03548
     C             2.43021             5.29603            12.75505
     C             1.21893             5.58099            12.03649
     C            -0.03180             5.61054            12.73231
     C            -1.26983             5.45228            12.03248
     C            -2.44240             5.03004            12.73104
     C            -3.49451             4.36096            12.03526
     C            -4.36858             3.47255            12.73354
     C            -5.03445             2.42164            12.02948
     C            -5.43761             1.24078            12.72562
     C            -5.57052             0.00244            12.02496
     C            -5.43492            -1.23452            12.72697
     C            -5.03140            -2.41445            12.03288
     C            -4.36639            -3.46715            12.73279
     C            -3.49209            -4.35087            12.03128
     C            -2.44139            -5.01944            12.73317
     C            -1.26426            -5.43846            12.03650
     C            -0.02301            -5.59148            12.73417
     C             1.22589            -5.57367            12.03800
     C             2.43864            -5.31058            12.75085
     C             3.48956            -4.66721            12.03137
     C             4.23747            -3.65995            12.72621
     C             4.53961            -2.46494            12.01865
     C             4.63277            -1.24270            12.73716
     C             5.01309            -0.00929            14.87004
     C             4.85261             1.19799            14.12306
     C             4.79316             2.42613            14.83897
     C             4.27512             3.56267            14.14156
     C             3.45815             4.45823            14.87031
     C             2.45112             5.21366            14.17964
     C             1.22313             5.45677            14.86383
     C            -0.01985             5.56805            14.15799
     C            -1.24855             5.41015            14.86173
     C            -2.43041             5.03090            14.15458
     C            -3.46678             4.33987            14.85452
     C            -4.36042             3.47033            14.15659
     C            -5.00375             2.40135            14.85425
     C            -5.43310             1.23265            14.14970
     C            -5.54704            -0.00041            14.85691
     C            -5.42820            -1.23166            14.14976
     C            -5.00159            -2.39851            14.85488
     C            -4.36122            -3.46513            14.15503
     C            -3.46973            -4.33392            14.85556
     C            -2.43074            -5.02376            14.15823
     C            -1.24269            -5.40458            14.86068
     C            -0.01048            -5.55663            14.15821
     C             1.22443            -5.45559            14.86503
     C             2.45039            -5.22413            14.17525
     C             3.46154            -4.47186            14.86818
     C             4.30431            -3.59382            14.14128
     C             4.82722            -2.44617            14.84349
     C             4.87038            -1.22131            14.13092
     C             5.26754             0.00045            16.28900
     C             5.48118             1.25336            16.85844
     C             4.93045             2.37438            16.27350
     C             4.27848             3.41198            16.98100
     C             3.41198             4.27848            16.27350
     C             2.37438             4.93045            16.98100
     C             1.21772             5.33518            16.27350
     C             0.00000             5.47239            16.98100
     C            -1.21772             5.33518            16.27350
     C            -2.37438             4.93045            16.98100
     C            -3.41198             4.27848            16.27350
     C            -4.27848             3.41198            16.98100
     C            -4.93045             2.37438            16.27350
     C            -5.33518             1.21772            16.98100
     C            -5.47239             0.00000            16.27350
     C            -5.33518            -1.21772            16.98100
     C            -4.93045            -2.37438            16.27350
     C            -4.27848            -3.41198            16.98100
     C            -3.41198            -4.27848            16.27350
     C            -2.37438            -4.93045            16.98100
     C            -1.21772            -5.33518            16.27350
     C             0.00000            -5.47239            16.98100
     C             1.21772            -5.33518            16.27350
     C             2.37438            -4.93045            16.98100
     C             3.41198            -4.27848            16.27350
     C             4.27848            -3.41198            16.98100
     C             4.93045            -2.37438            16.27350
     C             5.33518            -1.21772            16.98100
     C             6.67291             0.05302            10.55200
     C             6.64738             0.05717            12.03726
     C             7.91479             0.01512             9.88375
     H             7.97026             0.00698             8.77607
     C             9.15176            -0.01323            10.63822
     H            10.12253            -0.03538            10.10852
     C             9.13773            -0.01691            12.00473
     H            10.10389            -0.04529            12.54606
     C             7.86372             0.01457            12.72666
     H             7.88724             0.00156            13.83851
          178
 Energy:   -1207.070731095219    
     C             5.47239             0.00000             6.36850
     C             5.33518             1.21772             5.66100
     C             4.93045             2.37438             6.36850
     C             4.27848             3.41198             5.66100
     C             3.41198             4.27848             6.36850
     C             2.37438             4.93045             5.66100
     C             1.21772             5.33518             6.36850
     C             0.00000             5.47239             5.66100
     C            -1.21772             5.33518             6.36850
     C            -2.37438             4.93045             5.66100
     C            -3.41198             4.27848             6.36850
     C            -4.27848             3.41198             5.66100
     C            -4.93045             2.37438             6.36850
     C            -5.33518             1.21772             5.66100
     C            -5.47239             0.00000             6.36850
     C            -5.33518            -1.21772             5.66100
     C            -4.93045            -2.37438             6.36850
     C            -4.27848            -3.41198             5.66100
     C            -3.41198            -4.27848             6.36850
     C            -2.37438            -4.93045             5.66100
     C            -1.21772            -5.33518             6.36850
     C             0.00000            -5.47239             5.66100
     C             1.21772            -5.33518             6.36850
     C             2.37438            -4.93045             5.66100
     C             3.41198            -4.27848             6.36850
     C             4.27848            -3.41198             5.66100
     C             4.93045            -2.37438             6.36850
     C             5.33518            -1.21772             5.66100
     C             5.15033            -0.00350             7.79433
     C             4.84692             1.19768             8.49433
     C             4.73491             2.41116             7.78741
     C             4.21785             3.55796             8.49016
     C             3.43421             4.48133             7.76729
     C             2.45825             5.28386             8.46063
     C             1.23455             5.53406             7.76915
     C            -0.00148             5.56564             8.47920
     C            -1.23106             5.36891             7.78498
     C            -2.41456             4.98954             8.49002
     C            -3.46579             4.32941             7.78381
     C            -4.37321             3.47685             8.48546
     C            -5.00985             2.40967             7.78225
     C            -5.42550             1.23959             8.48503
     C            -5.54342             0.00070             7.78470
     C            -5.42170            -1.23700             8.48766
     C            -5.00042            -2.40727             7.78498
     C            -4.36323            -3.47319             8.48854
     C            -3.46409            -4.32780             7.78167
     C            -2.42053            -4.99612             8.48953
     C            -1.23910            -5.38863             7.78706
     C            -0.00947            -5.58476             8.48032
     C             1.22340            -5.53979             7.76610
     C             2.44145            -5.27602             8.45967
     C             3.41860            -4.47044             7.76885
     C             4.21343            -3.55345             8.49005
     C             4.73006            -2.41276             7.78280
     C             4.85502            -1.20668             8.49447
     C             4.45972            -0.01107            10.59851
     C             4.52193             1.19915             9.88283
     C             4.44872             2.41930            10.60550
     C             4.15183             3.61217             9.90591
     C             3.43901             4.63291            10.61210
     C             2.44041             5.36226             9.89170
     C             1.22332             5.64382            10.60510
     C            -0.01957             5.59784             9.89906
     C            -1.25363             5.41706            10.60718
     C            -2.42640             4.99735             9.90780
     C            -3.48452             4.34731            10.61147
     C            -4.37476             3.48042             9.90462
     C            -5.02443             2.42017            10.60762
     C            -5.42638             1.24234             9.90364
     C            -5.55398             0.00335            10.60572
     C            -5.42267            -1.23623             9.90668
     C            -5.01940            -2.41098            10.61348
     C            -4.36728            -3.46823             9.90687
     C            -3.48037            -4.33759            10.61105
     C            -2.42694            -4.99606             9.90820
     C            -1.25361            -5.41417            10.60880
     C            -0.02203            -5.60632             9.89983
     C             1.22256            -5.64677            10.60247
     C             2.43627            -5.36452             9.88887
     C             3.44775            -4.64790            10.60845
     C             4.16460            -3.62407             9.90666
     C             4.47748            -2.44028            10.61445
     C             4.54060            -1.22154             9.88566
     C             4.51300            -0.01745            12.02741
     C             4.57279             1.19649            12.73269
     C             4.47141             2.41620            12.01642
     C             4.16723             3.60388            12.72200
     C             3.44318             4.61925            12.03123
     C             2.43432             5.33410            12.74725
     C             1.22363             5.63529            12.03173
     C            -0.02324             5.60572            12.73740
     C            -1.25960             5.43318            12.03005
     C            -2.43622             5.02506            12.73472
     C            -3.48146             4.34832            12.03105
     C            -4.35678             3.46841            12.73414
     C            -5.01610             2.41650            12.02752
     C            -5.42584             1.23962            12.73155
     C            -5.55744             0.00421            12.02475
     C            -5.42353            -1.23035            12.73304
     C            -5.01406            -2.40687            12.03212
     C            -4.35598            -3.46093            12.73287
     C            -3.48114            -4.34034            12.02913
     C            -2.43445            -5.01246            12.73613
     C            -1.25457            -5.41579            12.03186
     C            -0.01967            -5.58986            12.73579
     C             1.22208            -5.63552            12.02744
     C             2.43753            -5.35339            12.74575
     C             3.45857            -4.65045            12.02989
     C             4.20382            -3.64195            12.72514
     C             4.50403            -2.44995            12.02391
     C             4.59270            -1.22669            12.73491
     C             4.94831            -0.01680            14.87640
     C             4.78123             1.19022            14.14494
     C             4.73017             2.41664            14.84273
     C             4.22591             3.56310            14.13954
     C             3.42338             4.46285            14.87203
     C             2.44657             5.24894            14.17448
     C             1.23327             5.50945            14.87144
     C            -0.00173             5.56829            14.16058
     C            -1.23983             5.39398            14.85499
     C            -2.42923             5.02365            14.15344
     C            -3.46591             4.33714            14.85721
     C            -4.35345             3.46321            14.15232
     C            -4.99658             2.40067            14.85697
     C            -5.42564             1.23582            14.15216
     C            -5.54538             0.00018            14.85854
     C            -5.42119            -1.23306            14.15197
     C            -4.99536            -2.40026            14.85509
     C            -4.35219            -3.46231            14.14991
     C            -3.46687            -4.33311            14.85826
     C            -2.42873            -5.01464            14.15534
     C            -1.24121            -5.38519            14.85552
     C            -0.00839            -5.55962            14.15781
     C             1.23124            -5.51582            14.87007
     C             2.45321            -5.26051            14.17551
     C             3.44087            -4.46875            14.87063
     C             4.26782            -3.57993            14.14328
     C             4.76856            -2.42713            14.84454
     C             4.80028            -1.20688            14.14213
     C             5.27925            -0.00330            16.27711
     C             5.48051             1.24057            16.84742
     C             4.93045             2.37438            16.27350
     C             4.27848             3.41198            16.98100
     C             3.41198             4.27848            16.27350
     C             2.37438             4.93045            16.98100
     C             1.21772             5.33518            16.27350
     C             0.00000             5.47239            16.98100
     C            -1.21772             5.33518            16.27350
     C            -2.37438             4.93045            16.98100
     C            -3.41198             4.27848            16.27350
     C            -4.27848             3.41198            16.98100
     C            -4.93045             2.37438            16.27350
     C            -5.33518             1.21772            16.98100
     C            -5.47239             0.00000            16.27350
     C            -5.33518            -1.21772            16.98100
     C            -4.93045            -2.37438            16.27350
     C            -4.27848            -3.41198            16.98100
     C            -3.41198            -4.27848            16.27350
     C            -2.37438            -4.93045            16.98100
     C            -1.21772            -5.33518            16.27350
     C             0.00000            -5.47239            16.98100
     C             1.21772            -5.33518            16.27350
     C             2.37438            -4.93045            16.98100
     C             3.41198            -4.27848            16.27350
     C             4.27848            -3.41198            16.98100
     C             4.93045            -2.37438            16.27350
     C             5.33518            -1.21772            16.98100
     C             6.78304             0.06421            10.63535
     C             6.74555             0.06591            11.94157
     C             7.99232             0.01927             9.86231
     H             7.99493             0.00961             8.74603
     C             9.14985            -0.01619            10.59102
     H            10.12006            -0.04461            10.04852
     C             9.11988            -0.01844            12.04658
     H            10.06758            -0.05309            12.62456
     C             7.95563             0.01875            12.74623
     H             7.93269             0.00562            13.86709
          178
 Energy:   -1207.022504428990    
     C             5.47239             0.00000             6.36850
     C             5.33518             1.21772             5.66100
     C             4.93045             2.37438             6.36850
     C             4.27848             3.41198             5.66100
     C             3.41198             4.27848             6.36850
     C             2.37438             4.93045             5.66100
     C             1.21772             5.33518             6.36850
     C             0.00000             5.47239             5.66100
     C            -1.21772             5.33518             6.36850
     C            -2.37438             4.93045             5.66100
     C            -3.41198             4.27848             6.36850
     C            -4.27848             3.41198             5.66100
     C            -4.93045             2.37438             6.36850
     C            -5.33518             1.21772             5.66100
     C            -5.47239             0.00000             6.36850
     C            -5.33518            -1.21772             5.66100
     C            -4.93045            -2.37438             6.36850
     C            -4.27848            -3.41198             5.66100
     C            -3.41198            -4.27848             6.36850
     C            -2.37438            -4.93045             5.66100
     C            -1.21772            -5.33518             6.36850
     C             0.00000            -5.47239             5.66100
     C             1.21772            -5.33518             6.36850
     C             2.37438            -4.93045             5.66100
     C             3.41198            -4.27848             6.36850
     C             4.27848            -3.41198             5.66100
     C             4.93045            -2.37438             6.36850
     C             5.33518            -1.21772             5.66100
     C             5.16857            -0.00829             7.78861
     C             4.85535             1.19369             8.49457
     C             4.72078             2.40729             7.77902
     C             4.16404             3.52639             8.49074
     C             3.41154             4.47738             7.76697
     C             2.43667             5.27756             8.47458
     C             1.23186             5.57158             7.76862
     C            -0.00392             5.60620             8.48367
     C            -1.22328             5.36234             7.78889
     C            -2.40013             4.96326             8.48753
     C            -3.45062             4.31369             7.78243
     C            -4.34985             3.46545             8.48570
     C            -4.99698             2.40792             7.78449
     C            -5.42152             1.23826             8.48350
     C            -5.53690            -0.00300             7.78641
     C            -5.40789            -1.23710             8.48883
     C            -4.98909            -2.39753             7.78180
     C            -4.34953            -3.45382             8.48846
     C            -3.45715            -4.32125             7.78958
     C            -2.40332            -4.98521             8.48672
     C            -1.22650            -5.38296             7.78556
     C            -0.01045            -5.62065             8.48535
     C             1.22218            -5.56974             7.76644
     C             2.42634            -5.26986             8.46812
     C             3.41093            -4.47366             7.76977
     C             4.17462            -3.53415             8.49764
     C             4.73475            -2.41795             7.78249
     C             4.87639            -1.21058             8.50295
     C             4.45634            -0.01350            10.60725
     C             4.53844             1.19550             9.87572
     C             4.40901             2.39952            10.60623
     C             4.10454             3.58629             9.89851
     C             3.42162             4.61967            10.60289
     C             2.42863             5.36376             9.90205
     C             1.22562             5.70818            10.60541
     C            -0.01227             5.63157             9.90277
     C            -1.22848             5.39520            10.60538
     C            -2.40540             4.97883             9.90920
     C            -3.46816             4.33096            10.60681
     C            -4.35834             3.46828             9.90466
     C            -5.00557             2.41215            10.60962
     C            -5.41662             1.24151             9.90553
     C            -5.54304             0.00295            10.60763
     C            -5.40885            -1.23605             9.90872
     C            -4.99799            -2.40376            10.61083
     C            -4.34933            -3.45846             9.90919
     C            -3.46259            -4.32819            10.61038
     C            -2.40767            -4.98540             9.90834
     C            -1.23348            -5.39358            10.60617
     C            -0.02244            -5.64150             9.90359
     C             1.21960            -5.71324            10.59963
     C             2.42380            -5.35984             9.89494
     C             3.42808            -4.63119            10.60356
     C             4.12160            -3.60035             9.90550
     C             4.43112            -2.42051            10.61280
     C             4.56113            -1.22224             9.88267
     C             4.50038            -0.00477            12.01374
     C             4.57506             1.20416            12.75729
     C             4.44265             2.40130            12.01942
     C             4.12321             3.58602            12.72634
     C             3.42321             4.61388            12.02520
     C             2.42601             5.34081            12.73990
     C             1.22595             5.69213            12.03451
     C            -0.01147             5.61831            12.73534
     C            -1.23286             5.40819            12.03291
     C            -2.41881             5.01376            12.72974
     C            -3.46531             4.34008            12.02806
     C            -4.34451             3.46066            12.73163
     C            -4.99925             2.40554            12.03046
     C            -5.41041             1.23873            12.73421
     C            -5.54205             0.00548            12.03230
     C            -5.40831            -1.22794            12.73439
     C            -4.99681            -2.39591            12.03012
     C            -4.34429            -3.45414            12.73256
     C            -3.46349            -4.33342            12.03229
     C            -2.41456            -4.99972            12.72872
     C            -1.23654            -5.38973            12.02873
     C            -0.01925            -5.60969            12.73185
     C             1.22433            -5.69914            12.03291
     C             2.43391            -5.35525            12.74275
     C             3.44333            -4.63314            12.03150
     C             4.15793            -3.61131            12.73359
     C             4.46363            -2.42461            12.02082
     C             4.58707            -1.22081            12.74458
     C             4.91285            -0.01504            14.86512
     C             4.71975             1.18912            14.15797
     C             4.68804             2.40895            14.86450
     C             4.18214             3.53863            14.13861
     C             3.41247             4.47536            14.86572
     C             2.42528             5.25287            14.16518
     C             1.22400             5.54722            14.86946
     C            -0.00538             5.58733            14.15178
     C            -1.22503             5.37471            14.85152
     C            -2.41659             4.99970            14.15484
     C            -3.46009             4.32677            14.85803
     C            -4.33812             3.45790            14.15297
     C            -4.98109             2.40148            14.85796
     C            -5.40959             1.23953            14.15388
     C            -5.53552             0.00349            14.85403
     C            -5.40847            -1.23426            14.15535
     C            -4.98156            -2.40012            14.85807
     C            -4.33798            -3.45709            14.15437
     C            -3.45844            -4.32661            14.85744
     C            -2.41609            -4.98966            14.14942
     C            -1.23184            -5.36576            14.85187
     C            -0.00814            -5.58236            14.15200
     C             1.22887            -5.55029            14.86772
     C             2.43987            -5.25928            14.17036
     C             3.42971            -4.48151            14.87099
     C             4.22205            -3.56332            14.14708
     C             4.72352            -2.42660            14.86148
     C             4.74065            -1.21672            14.14305
     C             5.31978            -0.01760            16.23683
     C             5.48957             1.22999            16.86604
     C             4.93045             2.37438            16.27350
     C             4.27848             3.41198            16.98100
     C             3.41198             4.27848            16.27350
     C             2.37438             4.93045            16.98100
     C             1.21772             5.33518            16.27350
     C             0.00000             5.47239            16.98100
     C            -1.21772             5.33518            16.27350
     C            -2.37438             4.93045            16.98100
     C            -3.41198             4.27848            16.27350
     C            -4.27848             3.41198            16.98100
     C            -4.93045             2.37438            16.27350
     C            -5.33518             1.21772            16.98100
     C            -5.47239             0.00000            16.27350
     C            -5.33518            -1.21772            16.98100
     C            -4.93045            -2.37438            16.27350
     C            -4.27848            -3.41198            16.98100
     C            -3.41198            -4.27848            16.27350
     C            -2.37438            -4.93045            16.98100
     C            -1.21772            -5.33518            16.27350
     C             0.00000            -5.47239            16.98100
     C             1.21772            -5.33518            16.27350
     C             2.37438            -4.93045            16.98100
     C             3.41198            -4.27848            16.27350
     C             4.27848            -3.41198            16.98100
     C             4.93045            -2.37438            16.27350
     C             5.33518            -1.21772            16.98100
     C             6.87742             0.07599            10.57416
     C             6.85364             0.07414            12.00082
     C             8.04764             0.02403             9.84836
     H             7.96910             0.02160             8.74656
     C             9.18058            -0.02088            10.64295
     H            10.16844            -0.05951            10.15323
     C             9.15582            -0.02148            11.98796
     H            10.13043            -0.06287            12.50313
     C             7.98790             0.02418            12.75291
     H             7.89341             0.02335            13.85629
          178
 Energy:   -1207.278052520795    
     C             5.47239             0.00000             6.36850
     C             5.33518             1.21772             5.66100
     C             4.93045             2.37438             6.36850
     C             4.27848             3.41198             5.66100
     C             3.41198             4.27848             6.36850
     C             2.37438             4.93045             5.66100
     C             1.21772             5.33518             6.36850
     C             0.00000             5.47239             5.66100
     C            -1.21772             5.33518             6.36850
     C            -2.37438             4.93045             5.66100
     C            -3.41198             4.27848             6.36850
     C            -4.27848             3.41198             5.66100
     C            -4.93045             2.37438             6.36850
     C            -5.33518             1.21772             5.66100
     C            -5.47239             0.00000             6.36850
     C            -5.33518            -1.21772             5.66100
     C            -4.93045            -2.37438             6.36850
     C            -4.27848            -3.41198             5.66100
     C            -3.41198            -4.27848             6.36850
     C            -2.37438            -4.93045             5.66100
     C            -1.21772            -5.33518             6.36850
     C             0.00000            -5.47239             5.66100
     C             1.21772            -5.33518             6.36850
     C             2.37438            -4.93045             5.66100
     C             3.41198            -4.27848             6.36850
     C             4.27848            -3.41198             5.66100
     C             4.93045            -2.37438             6.36850
     C             5.33518            -1.21772             5.66100
     C             5.16953            -0.00696             7.78661
     C             4.87867             1.19225             8.48917
     C             4.73493             2.40384             7.78697
     C             4.13786             3.49649             8.49544
     C             3.39943             4.45231             7.77482
     C             2.41951             5.24417             8.47010
     C             1.22294             5.56104             7.76897
     C            -0.01110             5.65412             8.48517
     C            -1.22073             5.37146             7.78392
     C            -2.37302             4.93995             8.49232
     C            -3.42896             4.29803             7.78532
     C            -4.32805             3.44477             8.48950
     C            -4.98125             2.39396             7.78311
     C            -5.40933             1.23440             8.49142
     C            -5.52424             0.00368             7.78460
     C            -5.39469            -1.22518             8.49147
     C            -4.97286            -2.38982             7.78498
     C            -4.32233            -3.44417             8.49138
     C            -3.43722            -4.31095             7.78521
     C            -2.38651            -4.96501             8.49054
     C            -1.22829            -5.38591             7.78239
     C            -0.01375            -5.66206             8.48027
     C             1.22610            -5.55168             7.77108
     C             2.42293            -5.23703             8.47318
     C             3.40748            -4.46086             7.77221
     C             4.16200            -3.52118             8.49723
     C             4.76710            -2.42635             7.79450
     C             4.91133            -1.21161             8.49858
     C             4.50685            -0.00681            10.60112
     C             4.59847             1.19152             9.88830
     C             4.38253             2.38478            10.61483
     C             4.05231             3.54607             9.90240
     C             3.40803             4.60804            10.60177
     C             2.41426             5.34418             9.89040
     C             1.24056             5.75005            10.60893
     C            -0.00952             5.68882             9.90996
     C            -1.21378             5.38326            10.61354
     C            -2.37281             4.95209             9.90764
     C            -3.44227             4.32205            10.60912
     C            -4.33255             3.45202             9.90786
     C            -4.99102             2.39966            10.61189
     C            -5.40553             1.23127             9.90843
     C            -5.53281             0.00371            10.61621
     C            -5.39390            -1.22320             9.90882
     C            -4.97993            -2.39330            10.61326
     C            -4.32385            -3.44765             9.90858
     C            -3.44220            -4.32189            10.61001
     C            -2.38250            -4.96528             9.90631
     C            -1.21958            -5.38551            10.60954
     C            -0.01558            -5.69852             9.90747
     C             1.23710            -5.75378            10.61111
     C             2.40688            -5.33728             9.89384
     C             3.40849            -4.61968            10.60976
     C             4.06887            -3.57266             9.90483
     C             4.39997            -2.40884            10.61471
     C             4.62327            -1.21016             9.89564
     C             4.51482            -0.00217            12.03285
     C             4.57185             1.19863            12.73989
     C             4.40828             2.39950            12.02028
     C             4.07771             3.56586            12.73065
     C             3.40932             4.60885            12.02392
     C             2.40986             5.33137            12.74053
     C             1.23684             5.73350            12.03355
     C            -0.00937             5.65805            12.72946
     C            -1.21582             5.38556            12.02576
     C            -2.38914             4.98378            12.72787
     C            -3.45006             4.33208            12.02649
     C            -4.32424             3.45462            12.73201
     C            -4.98212             2.40293            12.02900
     C            -5.39240             1.23490            12.73634
     C            -5.52832             0.00408            12.03107
     C            -5.38996            -1.22740            12.73622
     C            -4.97706            -2.39547            12.03093
     C            -4.32532            -3.44815            12.73523
     C            -3.44999            -4.32224            12.02620
     C            -2.38866            -4.96887            12.72681
     C            -1.21744            -5.37623            12.02324
     C            -0.00945            -5.65770            12.73004
     C             1.24241            -5.73900            12.03863
     C             2.42126            -5.33512            12.74398
     C             3.42518            -4.62026            12.02829
     C             4.10321            -3.58121            12.73246
     C             4.42061            -2.41016            12.01975
     C             4.57978            -1.20536            12.73449
     C             4.91951            -0.02135            14.86550
     C             4.70299             1.18658            14.15767
     C             4.66552             2.40180            14.85879
     C             4.14900             3.51896            14.14291
     C             3.41459             4.47100            14.86887
     C             2.41642             5.23705            14.16428
     C             1.21498             5.54142            14.87030
     C            -0.01870             5.62083            14.15242
     C            -1.22877             5.36484            14.85924
     C            -2.38847             4.96915            14.14615
     C            -3.43737             4.31768            14.85571
     C            -4.32314             3.45224            14.14877
     C            -4.96647             2.39734            14.85714
     C            -5.38903             1.23461            14.15297
     C            -5.51779             0.00278            14.85877
     C            -5.39061            -1.22815            14.15300
     C            -4.96916            -2.39066            14.85844
     C            -4.32718            -3.44715            14.15156
     C            -3.44084            -4.31473            14.85527
     C            -2.38572            -4.96121            14.14534
     C            -1.22125            -5.36208            14.85627
     C            -0.00998            -5.61733            14.15278
     C             1.22206            -5.53524            14.87114
     C             2.42347            -5.24175            14.16619
     C             3.42303            -4.48837            14.87359
     C             4.18124            -3.55427            14.14561
     C             4.70006            -2.42900            14.85534
     C             4.72358            -1.21524            14.14734
     C             5.36253            -0.01113            16.24177
     C             5.48996             1.23508            16.84645
     C             4.93045             2.37438            16.27350
     C             4.27848             3.41198            16.98100
     C             3.41198             4.27848            16.27350
     C             2.37438             4.93045            16.98100
     C             1.21772             5.33518            16.27350
     C             0.00000             5.47239            16.98100
     C            -1.21772             5.33518            16.27350
     C            -2.37438             4.93045            16.98100
     C            -3.41198             4.27848            16.27350
     C            -4.27848             3.41198            16.98100
     C            -4.93045             2.37438            16.27350
     C            -5.33518             1.21772            16.98100
     C            -5.47239             0.00000            16.27350
     C            -5.33518            -1.21772            16.98100
     C            -4.93045            -2.37438            16.27350
     C            -4.27848            -3.41198            16.98100
     C            -3.41198            -4.27848            16.27350
     C            -2.37438            -4.93045            16.98100
     C            -1.21772            -5.33518            16.27350
     C             0.00000            -5.47239            16.98100
     C             1.21772            -5.33518            16.27350
     C             2.37438            -4.93045            16.98100
     C             3.41198            -4.27848            16.27350
     C             4.27848            -3.41198            16.98100
     C             4.93045            -2.37438            16.27350
     C             5.33518            -1.21772            16.98100
     C             6.85707             0.09172            10.59157
     C             6.83058             0.08795            11.96122
     C             8.11711             0.02879             9.83807
     H             8.18162             0.02838             8.74896
     C             9.28093            -0.02872            10.59900
     H            10.25832            -0.07763            10.09632
     C             9.25336            -0.02763            12.03852
     H            10.20558            -0.07133            12.58390
     C             8.07798             0.02757            12.75897
     H             8.07439             0.03345            13.84982
          178
 Energy:   -1207.383052427889    
     C             5.47239             0.00000             6.36850
     C             5.33518             1.21772             5.66100
     C             4.93045             2.37438             6.36850
     C             4.27848             3.41198             5.66100
     C             3.41198             4.27848             6.36850
     C             2.37438             4.93045             5.66100
     C             1.21772             5.33518             6.36850
     C             0.00000             5.47239             5.66100
     C            -1.21772             5.33518             6.36850
     C            -2.37438             4.93045             5.66100
     C            -3.41198             4.27848             6.36850
     C            -4.27848             3.41198             5.66100
     C            -4.93045             2.37438             6.36850
     C            -5.33518             1.21772             5.66100
     C            -5.47239             0.00000             6.36850
     C            -5.33518            -1.21772             5.66100
     C            -4.93045            -2.37438             6.36850
     C            -4.27848            -3.41198             5.66100
     C            -3.41198            -4.27848             6.36850
     C            -2.37438            -4.93045             5.66100
     C            -1.21772            -5.33518             6.36850
     C             0.00000            -5.47239             5.66100
     C             1.21772            -5.33518             6.36850
     C             2.37438            -4.93045             5.66100
     C             3.41198            -4.27848             6.36850
     C             4.27848            -3.41198             5.66100
     C             4.93045            -2.37438             6.36850
     C             5.33518            -1.21772             5.66100
     C             5.17482            -0.00741             7.78280
     C             4.92424             1.19167             8.50712
     C             4.75998             2.39932             7.78936
     C             4.14345             3.47740             8.50437
     C             3.38824             4.41112             7.76754
     C             2.40676             5.19597             8.46151
     C             1.21360             5.51757             7.76604
     C            -0.00922             5.69079             8.48164
     C            -1.21768             5.40169             7.78429
     C            -2.35015             4.92252             8.49417
     C            -3.40674             4.27839             7.79033
     C            -4.30105             3.42338             8.49354
     C            -4.96391             2.38347             7.78711
     C            -5.38887             1.22879             8.49520
     C            -5.51289             0.00755             7.78317
     C            -5.37690            -1.21732             8.49188
     C            -4.95374            -2.38388             7.79121
     C            -4.29371            -3.43272             8.49061
     C            -3.41340            -4.29276             7.78252
     C            -2.36985            -4.94502             8.49124
     C            -1.22510            -5.40897             7.78675
     C            -0.00650            -5.68933             8.47910
     C             1.21864            -5.50847             7.76977
     C             2.41190            -5.19412             8.47275
     C             3.40520            -4.42943             7.76631
     C             4.18451            -3.51175             8.50037
     C             4.80301            -2.42394             7.79095
     C             4.96294            -1.21425             8.50993
     C             4.62360            -0.00586            10.62031
     C             4.67026             1.20229             9.89516
     C             4.38737             2.37155            10.61775
     C             4.01490             3.52166             9.90947
     C             3.38039             4.58480            10.60663
     C             2.40809             5.32425             9.88137
     C             1.24651             5.76293            10.59843
     C            -0.00737             5.75190             9.90677
     C            -1.19848             5.39618            10.60666
     C            -2.34171             4.91983             9.91056
     C            -3.41602             4.30466            10.60962
     C            -4.30063             3.43362             9.91141
     C            -4.97344             2.39527            10.61293
     C            -5.39251             1.22998             9.91301
     C            -5.52440             0.00323            10.61887
     C            -5.37650            -1.22068             9.91132
     C            -4.96021            -2.38676            10.61238
     C            -4.29790            -3.43131             9.90829
     C            -3.42209            -4.30756            10.60757
     C            -2.35651            -4.93921             9.90887
     C            -1.20064            -5.40675            10.60418
     C            -0.00302            -5.75822             9.90528
     C             1.24430            -5.76289            10.60660
     C             2.40272            -5.32288             9.89326
     C             3.38122            -4.59482            10.61090
     C             4.03645            -3.54710             9.90623
     C             4.40316            -2.38927            10.61543
     C             4.69355            -1.21480             9.89733
     C             4.55924            -0.00578            12.00908
     C             4.55809             1.20213            12.74490
     C             4.37500             2.39047            12.02218
     C             4.04400             3.55693            12.73194
     C             3.38821             4.59722            12.02924
     C             2.40802             5.32345            12.75255
     C             1.23929             5.75126            12.03525
     C            -0.01283             5.71386            12.73638
     C            -1.20659             5.38477            12.02792
     C            -2.35785             4.93652            12.72690
     C            -3.42450             4.32017            12.02756
     C            -4.30530             3.44919            12.73000
     C            -4.96706             2.40035            12.03093
     C            -5.37223             1.23119            12.73500
     C            -5.51557             0.00113            12.03555
     C            -5.37043            -1.22673            12.73484
     C            -4.96140            -2.39308            12.03168
     C            -4.30591            -3.44298            12.73181
     C            -3.42566            -4.30944            12.02580
     C            -2.35427            -4.92724            12.72800
     C            -1.19785            -5.38895            12.03159
     C             0.00033            -5.71708            12.73752
     C             1.24767            -5.75022            12.03854
     C             2.41010            -5.32329            12.75502
     C             3.39277            -4.60374            12.03082
     C             4.05717            -3.56885            12.72735
     C             4.38132            -2.39618            12.02244
     C             4.56433            -1.21145            12.74825
     C             4.97036            -0.02339            14.87599
     C             4.74552             1.16946            14.14171
     C             4.66945             2.39045            14.85099
     C             4.13784             3.51316            14.13718
     C             3.40058             4.45550            14.87598
     C             2.41314             5.21220            14.17397
     C             1.21388             5.50310            14.86922
     C            -0.01474             5.65073            14.16112
     C            -1.22639             5.38318            14.85702
     C            -2.36666             4.93665            14.14056
     C            -3.41556             4.29921            14.85232
     C            -4.30491             3.44430            14.14953
     C            -4.95495             2.39193            14.85570
     C            -5.36606             1.22586            14.15292
     C            -5.49818             0.00246            14.85917
     C            -5.36860            -1.21984            14.15132
     C            -4.95880            -2.38424            14.85540
     C            -4.30993            -3.43757            14.15051
     C            -3.41705            -4.29429            14.85338
     C            -2.35995            -4.93069            14.14641
     C            -1.21660            -5.38179            14.85674
     C            -0.00514            -5.64745            14.15933
     C             1.21403            -5.49572            14.87015
     C             2.41281            -5.21559            14.17465
     C             3.41379            -4.47295            14.87320
     C             4.16640            -3.54121            14.13402
     C             4.70485            -2.42023            14.84843
     C             4.75874            -1.20770            14.14164
     C             5.37176            -0.01259            16.25414
     C             5.51095             1.24998            16.82551
     C             4.93045             2.37438            16.27350
     C             4.27848             3.41198            16.98100
     C             3.41198             4.27848            16.27350
     C             2.37438             4.93045            16.98100
     C             1.21772             5.33518            16.27350
     C             0.00000             5.47239            16.98100
     C            -1.21772             5.33518            16.27350
     C            -2.37438             4.93045            16.98100
     C            -3.41198             4.27848            16.27350
     C            -4.27848             3.41198            16.98100
     C            -4.93045             2.37438            16.27350
     C            -5.33518             1.21772            16.98100
     C            -5.47239             0.00000            16.27350
     C            -5.33518            -1.21772            16.98100
     C            -4.93045            -2.37438            16.27350
     C            -4.27848            -3.41198            16.98100
     C            -3.41198            -4.27848            16.27350
     C            -2.37438            -4.93045            16.98100
     C            -1.21772            -5.33518            16.27350
     C             0.00000            -5.47239            16.98100
     C             1.21772            -5.33518            16.27350
     C             2.37438            -4.93045            16.98100
     C             3.41198            -4.27848            16.27350
     C             4.27848            -3.41198            16.98100
     C             4.93045            -2.37438            16.27350
     C             5.33518            -1.21772            16.98100
     C             6.91038             0.10288            10.55383
     C             6.89222             0.09801            11.98673
     C             8.13973             0.03654             9.89259
     H             8.15671             0.04362             8.82228
     C             9.37840            -0.03665            10.62952
     H            10.28926            -0.09007            10.04780
     C             9.36504            -0.03449            12.01347
     H            10.26107            -0.08053            12.61955
     C             8.08582             0.03595            12.69535
     H             8.08528             0.04403            13.76199
          178
 Energy:   -1207.530343209906    
     C             5.47239             0.00000             6.36850
     C             5.33518             1.21772             5.66100
     C             4.93045             2.37438             6.36850
     C             4.27848             3.41198             5.66100
     C             3.41198             4.27848             6.36850
     C             2.37438             4.93045             5.66100
     C             1.21772             5.33518             6.36850
     C             0.00000             5.47239             5.66100
     C            -1.21772             5.33518             6.36850
     C            -2.37438             4.93045             5.66100
     C            -3.41198             4.27848             6.36850
     C            -4.27848             3.41198             5.66100
     C            -4.93045             2.37438             6.36850
     C            -5.33518             1.21772             5.66100
     C            -5.47239             0.00000             6.36850
     C            -5.33518            -1.21772             5.66100
     C            -4.93045            -2.37438             6.36850
     C            -4.27848            -3.41198             5.66100
     C            -3.41198            -4.27848             6.36850
     C            -2.37438            -4.93045             5.66100
     C            -1.21772            -5.33518             6.36850
     C             0.00000            -5.47239             5.66100
     C             1.21772            -5.33518             6.36850
     C             2.37438            -4.93045             5.66100
     C             3.41198            -4.27848             6.36850
     C             4.27848            -3.41198             5.66100
     C             4.93045            -2.37438             6.36850
     C             5.33518            -1.21772             5.66100
     C             5.21515            -0.00788             7.79071
     C             4.98890             1.19503             8.50715
     C             4.78782             2.39564             7.79563
     C             4.16164             3.47042             8.50022
     C             3.37772             4.37998             7.77355
     C             2.39418             5.14168             8.47032
     C             1.21378             5.47857             7.76932
     C            -0.00033             5.70617             8.47064
     C            -1.22180             5.43467             7.78480
     C            -2.33814             4.91632             8.49328
     C            -3.38310             4.26132             7.78544
     C            -4.26598             3.40789             8.49698
     C            -4.94491             2.38310             7.78604
     C            -5.36859             1.22506             8.49567
     C            -5.50342            -0.00099             7.78660
     C            -5.35556            -1.22282             8.49486
     C            -4.93722            -2.37601             7.78140
     C            -4.27206            -3.40973             8.49208
     C            -3.39004            -4.27438             7.78786
     C            -2.34447            -4.93900             8.49400
     C            -1.21841            -5.43658             7.78508
     C            -0.00041            -5.69577             8.47828
     C             1.21187            -5.47408             7.77063
     C             2.39688            -5.14668             8.46999
     C             3.40203            -4.40079             7.77734
     C             4.21416            -3.50316             8.50014
     C             4.82937            -2.42080             7.79506
     C             5.02367            -1.21834             8.50620
     C             4.77649            -0.00953            10.60801
     C             4.75525             1.19925             9.90890
     C             4.41178             2.37097            10.62580
     C             4.02434             3.51201             9.90602
     C             3.34481             4.54597            10.61132
     C             2.39533             5.30690             9.88272
     C             1.24072             5.76279            10.60087
     C            -0.00197             5.79173             9.88981
     C            -1.18745             5.43362            10.60733
     C            -2.31604             4.90277             9.90992
     C            -3.38293             4.27376            10.61095
     C            -4.27068             3.41721             9.90951
     C            -4.95377             2.39458            10.61905
     C            -5.37804             1.23359             9.91364
     C            -5.51575             0.00247            10.61754
     C            -5.36119            -1.22339             9.90985
     C            -4.94038            -2.38427            10.61292
     C            -4.27253            -3.41836             9.90547
     C            -3.38946            -4.28329            10.61202
     C            -2.32409            -4.92858             9.91338
     C            -1.19022            -5.45171            10.61133
     C            -0.00136            -5.79077             9.89551
     C             1.24292            -5.75925            10.60203
     C             2.40077            -5.31179             9.88210
     C             3.35641            -4.54951            10.60997
     C             4.05680            -3.52484             9.90603
     C             4.42707            -2.38002            10.62151
     C             4.77499            -1.21664             9.90335
     C             4.62516            -0.00938            12.03166
     C             4.56764             1.18267            12.74996
     C             4.35222             2.37482            12.02555
     C             4.03832             3.54600            12.73248
     C             3.35990             4.57933            12.02895
     C             2.39763             5.33011            12.75702
     C             1.23647             5.75342            12.03751
     C            -0.00615             5.75746            12.74503
     C            -1.19114             5.41839            12.02780
     C            -2.32378             4.90197            12.72744
     C            -3.39665             4.28515            12.02316
     C            -4.29300             3.44134            12.73322
     C            -4.95375             2.39530            12.03255
     C            -5.35325             1.22839            12.73749
     C            -5.50272             0.00238            12.03360
     C            -5.35325            -1.22537            12.73641
     C            -4.94867            -2.38833            12.02583
     C            -4.29031            -3.43570            12.73092
     C            -3.38707            -4.28592            12.02774
     C            -2.31124            -4.90199            12.72836
     C            -1.18583            -5.42911            12.02938
     C            -0.00096            -5.75970            12.74652
     C             1.23802            -5.75030            12.03710
     C             2.39538            -5.32816            12.75854
     C             3.35428            -4.58176            12.02827
     C             4.04260            -3.55578            12.73125
     C             4.35441            -2.39029            12.01928
     C             4.57027            -1.20401            12.74963
     C             5.04869            -0.02214            14.85530
     C             4.82069             1.17848            14.14905
     C             4.70219             2.38821            14.85423
     C             4.15017             3.49578            14.14149
     C             3.39263             4.42625            14.86975
     C             2.40224             5.18690            14.17332
     C             1.21042             5.47521            14.87486
     C             0.00026             5.66791            14.16312
     C            -1.21870             5.41411            14.85559
     C            -2.34611             4.91659            14.14791
     C            -3.39945             4.27547            14.85965
     C            -4.28922             3.42733            14.14764
     C            -4.94464             2.38860            14.85752
     C            -5.34458             1.22743            14.14971
     C            -5.48172             0.00291            14.85714
     C            -5.34672            -1.22281            14.15022
     C            -4.94712            -2.38728            14.85734
     C            -4.28673            -3.42565            14.14745
     C            -3.39372            -4.26976            14.85813
     C            -2.34161            -4.90887            14.14600
     C            -1.21992            -5.40985            14.85747
     C            -0.00205            -5.66526            14.16483
     C             1.21219            -5.47219            14.87619
     C             2.40673            -5.18511            14.17537
     C             3.40851            -4.43548            14.87036
     C             4.17686            -3.51585            14.13809
     C             4.73787            -2.41860            14.85622
     C             4.82689            -1.21202            14.14509
     C             5.36351            -0.00764            16.25495
     C             5.56093             1.24873            16.83760
     C             4.93045             2.37438            16.27350
     C             4.27848             3.41198            16.98100
     C             3.41198             4.27848            16.27350
     C             2.37438             4.93045            16.98100
     C             1.21772             5.33518            16.27350
     C             0.00000             5.47239            16.98100
     C            -1.21772             5.33518            16.27350
     C            -2.37438             4.93045            16.98100
     C            -3.41198             4.27848            16.27350
     C            -4.27848             3.41198            16.98100
     C            -4.93045             2.37438            16.27350
     C            -5.33518             1.21772            16.98100
     C            -5.47239             0.00000            16.27350
     C            -5.33518            -1.21772            16.98100
     C            -4.93045            -2.37438            16.27350
     C            -4.27848            -3.41198            16.98100
     C            -3.41198            -4.27848            16.27350
     C            -2.37438            -4.93045            16.98100
     C            -1.21772            -5.33518            16.27350
     C             0.00000            -5.47239            16.98100
     C             1.21772            -5.33518            16.27350
     C             2.37438            -4.93045            16.98100
     C             3.41198            -4.27848            16.27350
     C             4.27848            -3.41198            16.98100
     C             4.93045            -2.37438            16.27350
     C             5.33518            -1.21772            16.98100
     C             6.97671             0.11232            10.59402
     C             6.95816             0.10859            11.93864
     C             8.23691             0.04069             9.92438
     H             8.20801             0.04904             8.86862
     C             9.38909            -0.03935            10.62705
     H            10.34463            -0.10206            10.15061
     C             9.36604            -0.03557            12.00863
     H            10.29474            -0.09250            12.53376
     C             8.19247             0.03963            12.65965
     H             8.09831             0.04836            13.71035
          178
 Energy:   -1207.897340773299    
     C             5.47239             0.00000             6.36850
     C             5.33518             1.21772             5.66100
     C             4.93045             2.37438             6.36850
     C             4.27848             3.41198             5.66100
     C             3.41198             4.27848             6.36850
     C             2.37438             4.93045             5.66100
     C             1.21772             5.33518             6.36850
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     C            -1.21772             5.33518             6.36850
     C            -2.37438             4.93045             5.66100
     C            -3.41198             4.27848             6.36850
     C            -4.27848             3.41198             5.66100
     C            -4.93045             2.37438             6.36850
     C            -5.33518             1.21772             5.66100
     C            -5.47239             0.00000             6.36850
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     C            -4.93045            -2.37438             6.36850
     C            -4.27848            -3.41198             5.66100
     C            -3.41198            -4.27848             6.36850
     C            -2.37438            -4.93045             5.66100
     C            -1.21772            -5.33518             6.36850
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     C             1.21772            -5.33518             6.36850
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     C             3.41198            -4.27848             6.36850
     C             4.27848            -3.41198             5.66100
     C             4.93045            -2.37438             6.36850
     C             5.33518            -1.21772             5.66100
     C             5.29806            -0.00619             7.79146
     C             5.06194             1.20315             8.50912
     C             4.81863             2.40006             7.78800
     C             4.18472             3.46640             8.49982
     C             3.37731             4.36694             7.77614
     C             2.37596             5.10455             8.48704
     C             1.21537             5.46667             7.76999
     C            -0.00398             5.70367             8.46482
     C            -1.22350             5.44756             7.77382
     C            -2.32973             4.92975             8.49440
     C            -3.36008             4.25695             7.78375
     C            -4.23554             3.39505             8.49055
     C            -4.92793             2.37760             7.78422
     C            -5.35484             1.22386             8.49308
     C            -5.49197            -0.00254             7.78734
     C            -5.34308            -1.22489             8.49295
     C            -4.92351            -2.37487             7.78142
     C            -4.24410            -3.39691             8.49071
     C            -3.36549            -4.26567             7.79118
     C            -2.32931            -4.94276             8.50086
     C            -1.21905            -5.44481             7.77421
     C            -0.00208            -5.68929             8.47072
     C             1.21489            -5.46284             7.76949
     C             2.38878            -5.11288             8.47470
     C             3.40185            -4.38158             7.77395
     C             4.22860            -3.49783             8.50199
     C             4.85199            -2.42209             7.78901
     C             5.08503            -1.22174             8.50647
     C             4.90662            -0.00901            10.64254
     C             4.86445             1.20840             9.91213
     C             4.45637             2.35642            10.62160
     C             4.06856             3.50779             9.91000
     C             3.32866             4.50597            10.61265
     C             2.37275             5.26525             9.89655
     C             1.23606             5.76177            10.60534
     C            -0.00060             5.79628             9.89064
     C            -1.19353             5.48095            10.60526
     C            -2.29770             4.91659             9.91122
     C            -3.33293             4.23997            10.61023
     C            -4.24166             3.40213             9.90717
     C            -4.93837             2.38649            10.61696
     C            -5.36301             1.22932             9.91019
     C            -5.50365             0.00331            10.61264
     C            -5.34925            -1.22129             9.90865
     C            -4.92621            -2.38111            10.61184
     C            -4.24064            -3.41085             9.90847
     C            -3.33417            -4.25688            10.61150
     C            -2.30312            -4.94121             9.91770
     C            -1.19972            -5.50164            10.61194
     C            -0.00074            -5.78895             9.89502
     C             1.24430            -5.75527            10.60083
     C             2.39002            -5.26796             9.88579
     C             3.34513            -4.51128            10.60560
     C             4.10392            -3.52714             9.90996
     C             4.47373            -2.36914            10.61809
     C             4.88203            -1.22231             9.90888
     C             4.71623            -0.01408            12.02660
     C             4.62842             1.18928            12.76184
     C             4.36213             2.35233            12.03337
     C             4.04391             3.52773            12.73765
     C             3.34241             4.54651            12.03057
     C             2.39071             5.31684            12.74821
     C             1.23521             5.76290            12.03286
     C             0.00411             5.77277            12.74437
     C            -1.19049             5.46814            12.03046
     C            -2.29770             4.89992            12.72960
     C            -3.34789             4.24248            12.03008
     C            -4.27691             3.42555            12.73650
     C            -4.94346             2.39103            12.03256
     C            -5.34029             1.22517            12.73621
     C            -5.48923             0.00252            12.02915
     C            -5.34059            -1.22248            12.73369
     C            -4.93467            -2.38797            12.02791
     C            -4.26391            -3.42470            12.73056
     C            -3.33889            -4.24842            12.03023
     C            -2.29080            -4.90410            12.72865
     C            -1.19462            -5.48185            12.03163
     C            -0.00338            -5.77504            12.74870
     C             1.22911            -5.76123            12.03410
     C             2.38720            -5.31358            12.74806
     C             3.33692            -4.54676            12.02481
     C             4.04396            -3.54321            12.73851
     C             4.36473            -2.37435            12.02691
     C             4.62753            -1.21661            12.75312
     C             5.13723            -0.01607            14.84479
     C             4.89789             1.19447            14.14417
     C             4.75571             2.40185            14.85830
     C             4.16951             3.48367            14.14229
     C             3.39154             4.40123            14.86784
     C             2.39548             5.16045            14.16572
     C             1.21334             5.48128            14.87368
     C            -0.00218             5.67723            14.16456
     C            -1.21668             5.42749            14.86392
     C            -2.32892             4.91414            14.14815
     C            -3.37763             4.26318            14.85393
     C            -4.27159             3.41714            14.15200
     C            -4.93693             2.38445            14.86124
     C            -5.33388             1.22261            14.15244
     C            -5.46934            -0.00044            14.85677
     C            -5.33383            -1.22478            14.15194
     C            -4.93590            -2.38799            14.85928
     C            -4.26472            -3.41386            14.14675
     C            -3.36969            -4.25691            14.85318
     C            -2.32489            -4.90714            14.14427
     C            -1.22117            -5.42307            14.86436
     C            -0.00459            -5.67588            14.16935
     C             1.21625            -5.48114            14.87176
     C             2.40043            -5.15805            14.16593
     C             3.39717            -4.40622            14.87176
     C             4.19304            -3.50520            14.14631
     C             4.79035            -2.41854            14.85358
     C             4.90469            -1.21614            14.13458
     C             5.39051             0.00159            16.26240
     C             5.58264             1.26968            16.84062
     C             4.93045             2.37438            16.27350
     C             4.27848             3.41198            16.98100
     C             3.41198             4.27848            16.27350
     C             2.37438             4.93045            16.98100
     C             1.21772             5.33518            16.27350
     C             0.00000             5.47239            16.98100
     C            -1.21772             5.33518            16.27350
     C            -2.37438             4.93045            16.98100
     C            -3.41198             4.27848            16.27350
     C            -4.27848             3.41198            16.98100
     C            -4.93045             2.37438            16.27350
     C            -5.33518             1.21772            16.98100
     C            -5.47239             0.00000            16.27350
     C            -5.33518            -1.21772            16.98100
     C            -4.93045            -2.37438            16.27350
     C            -4.27848            -3.41198            16.98100
     C            -3.41198            -4.27848            16.27350
     C            -2.37438            -4.93045            16.98100
     C            -1.21772            -5.33518            16.27350
     C             0.00000            -5.47239            16.98100
     C             1.21772            -5.33518            16.27350
     C             2.37438            -4.93045            16.98100
     C             3.41198            -4.27848            16.27350
     C             4.27848            -3.41198            16.98100
     C             4.93045            -2.37438            16.27350
     C             5.33518            -1.21772            16.98100
     C             7.05472             0.12185            10.55811
     C             7.02944             0.11986            11.97243
     C             8.27698             0.04647             9.84210
     H             8.37664             0.04961             8.78178
     C             9.45010            -0.04338            10.62025
     H            10.39344            -0.11404            10.10325
     C             9.41858            -0.04012            12.00417
     H            10.34358            -0.10655            12.55241
     C             8.21250             0.04684            12.73872
     H             8.28360             0.04613            13.80732
          178
 Energy:   -1208.161427467930    
     C             5.47239             0.00000             6.36850
     C             5.33518             1.21772             5.66100
     C             4.93045             2.37438             6.36850
     C             4.27848             3.41198             5.66100
     C             3.41198             4.27848             6.36850
     C             2.37438             4.93045             5.66100
     C             1.21772             5.33518             6.36850
     C             0.00000             5.47239             5.66100
     C            -1.21772             5.33518             6.36850
     C            -2.37438             4.93045             5.66100
     C            -3.41198             4.27848             6.36850
     C            -4.27848             3.41198             5.66100
     C            -4.93045             2.37438             6.36850
     C            -5.33518             1.21772             5.66100
     C            -5.47239             0.00000             6.36850
     C            -5.33518            -1.21772             5.66100
     C            -4.93045            -2.37438             6.36850
     C            -4.27848            -3.41198             5.66100
     C            -3.41198            -4.27848             6.36850
     C            -2.37438            -4.93045             5.66100
     C            -1.21772            -5.33518             6.36850
     C             0.00000            -5.47239             5.66100
     C             1.21772            -5.33518             6.36850
     C             2.37438            -4.93045             5.66100
     C             3.41198            -4.27848             6.36850
     C             4.27848            -3.41198             5.66100
     C             4.93045            -2.37438             6.36850
     C             5.33518            -1.21772             5.66100
     C             5.38389            -0.00397             7.80092
     C             5.15582             1.21349             8.50967
     C             4.84930             2.40112             7.79353
     C             4.21232             3.47080             8.50361
     C             3.38361             4.36551             7.78375
     C             2.36785             5.08692             8.48528
     C             1.20539             5.47951             7.77350
     C            -0.00863             5.69092             8.47862
     C            -1.21476             5.43969             7.77697
     C            -2.33072             4.95595             8.49383
     C            -3.35220             4.26446             7.78760
     C            -4.21574             3.38631             8.49094
     C            -4.91290             2.37118             7.78318
     C            -5.34709             1.22110             8.48997
     C            -5.48271             0.00307             7.78032
     C            -5.34137            -1.21751             8.49053
     C            -4.91186            -2.38109             7.79022
     C            -4.21240            -3.40040             8.49836
     C            -3.35152            -4.26815             7.78406
     C            -2.33562            -4.95328             8.49533
     C            -1.21595            -5.43184             7.78064
     C            -0.00006            -5.67704             8.47443
     C             1.21915            -5.47166             7.77204
     C             2.38907            -5.09699             8.47953
     C             3.39966            -4.37605             7.77721
     C             4.24018            -3.49356             8.49472
     C             4.86946            -2.41501             7.79358
     C             5.16521            -1.22391             8.51178
     C             5.01032            -0.00335            10.63491
     C             4.98160             1.20402             9.92417
     C             4.52718             2.35018            10.62568
     C             4.11204             3.49652             9.91676
     C             3.34485             4.47181            10.61962
     C             2.35917             5.19604             9.90221
     C             1.23587             5.74760            10.59940
     C            -0.00608             5.78521             9.89370
     C            -1.20585             5.52666            10.61365
     C            -2.30249             4.95178             9.90893
     C            -3.28595             4.20877            10.61846
     C            -4.20202             3.38536             9.90650
     C            -4.92277             2.37925            10.60834
     C            -5.35011             1.22255             9.90284
     C            -5.48874             0.00066            10.61188
     C            -5.34008            -1.22288             9.90601
     C            -4.91171            -2.38277            10.61241
     C            -4.19864            -3.39614             9.91202
     C            -3.28823            -4.22507            10.61592
     C            -2.30763            -4.97032             9.90933
     C            -1.20552            -5.54498            10.61319
     C             0.00299            -5.77519             9.89075
     C             1.24326            -5.73792            10.59818
     C             2.36929            -5.20235             9.89544
     C             3.36021            -4.48892            10.61391
     C             4.14486            -3.52651             9.91047
     C             4.54994            -2.37568            10.62231
     C             4.99447            -1.21698             9.92736
     C             4.83351            -0.00842            12.04572
     C             4.74141             1.18787            12.75369
     C             4.42193             2.35074            12.02120
     C             4.04722             3.50148            12.73512
     C             3.34302             4.50086            12.02862
     C             2.39395             5.26902            12.74346
     C             1.24830             5.77070            12.03688
     C            -0.00115             5.77549            12.74535
     C            -1.20370             5.51210            12.02878
     C            -2.29145             4.92802            12.73192
     C            -3.29086             4.20759            12.03284
     C            -4.23482             3.40706            12.73403
     C            -4.93542             2.38529            12.02637
     C            -5.33788             1.22078            12.73689
     C            -5.47693            -0.00068            12.02679
     C            -5.33317            -1.22413            12.73401
     C            -4.92042            -2.38513            12.02842
     C            -4.21969            -3.40370            12.73087
     C            -3.29177            -4.21355            12.02475
     C            -2.30152            -4.93348            12.73309
     C            -1.21350            -5.52975            12.03500
     C            -0.00356            -5.78180            12.74735
     C             1.24198            -5.76809            12.03431
     C             2.38529            -5.26787            12.73818
     C             3.34004            -4.51237            12.02306
     C             4.05535            -3.52194            12.73530
     C             4.42958            -2.37441            12.01970
     C             4.74290            -1.20853            12.75246
     C             5.21852            -0.01171            14.85595
     C             4.98278             1.19737            14.14802
     C             4.80498             2.41380            14.84460
     C             4.18702             3.49310            14.14142
     C             3.38567             4.39693            14.86760
     C             2.39622             5.14348            14.15955
     C             1.22113             5.50692            14.86646
     C            -0.00525             5.68516            14.16537
     C            -1.21400             5.41822            14.86266
     C            -2.32384             4.92661            14.14326
     C            -3.36069             4.26633            14.85481
     C            -4.25398             3.41282            14.15187
     C            -4.93064             2.38010            14.85762
     C            -5.33333             1.21525            14.15149
     C            -5.46621            -0.00585            14.86136
     C            -5.33230            -1.22194            14.14712
     C            -4.92644            -2.38253            14.85541
     C            -4.24259            -3.40817            14.14665
     C            -3.35708            -4.25982            14.85443
     C            -2.32068            -4.92343            14.14620
     C            -1.20752            -5.41760            14.86400
     C            -0.00232            -5.68625            14.16526
     C             1.22028            -5.50700            14.86774
     C             2.39189            -5.14430            14.15596
     C             3.38428            -4.39921            14.86798
     C             4.20605            -3.51032            14.14079
     C             4.83492            -2.42482            14.84376
     C             4.99399            -1.20957            14.13850
     C             5.46849             0.00532            16.27142
     C             5.56989             1.27870            16.83777
     C             4.93045             2.37438            16.27350
     C             4.27848             3.41198            16.98100
     C             3.41198             4.27848            16.27350
     C             2.37438             4.93045            16.98100
     C             1.21772             5.33518            16.27350
     C             0.00000             5.47239            16.98100
     C            -1.21772             5.33518            16.27350
     C            -2.37438             4.93045            16.98100
     C            -3.41198             4.27848            16.27350
     C            -4.27848             3.41198            16.98100
     C            -4.93045             2.37438            16.27350
     C            -5.33518             1.21772            16.98100
     C            -5.47239             0.00000            16.27350
     C            -5.33518            -1.21772            16.98100
     C            -4.93045            -2.37438            16.27350
     C            -4.27848            -3.41198            16.98100
     C            -3.41198            -4.27848            16.27350
     C            -2.37438            -4.93045            16.98100
     C            -1.21772            -5.33518            16.27350
     C             0.00000            -5.47239            16.98100
     C             1.21772            -5.33518            16.27350
     C             2.37438            -4.93045            16.98100
     C             3.41198            -4.27848            16.27350
     C             4.27848            -3.41198            16.98100
     C             4.93045            -2.37438            16.27350
     C             5.33518            -1.21772            16.98100
     C             7.12657             0.13220            10.56735
     C             7.08777             0.13331            11.96117
     C             8.34868             0.04828             9.78765
     H             8.32028             0.06391             8.69229
     C             9.49886            -0.04510            10.58285
     H            10.48059            -0.12641            10.11195
     C             9.46030            -0.04380            12.03325
     H            10.41551            -0.12103            12.55580
     C             8.27506             0.04932            12.78483
     H             8.24884             0.06116            13.89122
          178
 Energy:   -1208.666714097912    
     C             5.47239             0.00000             6.36850
     C             5.33518             1.21772             5.66100
     C             4.93045             2.37438             6.36850
     C             4.27848             3.41198             5.66100
     C             3.41198             4.27848             6.36850
     C             2.37438             4.93045             5.66100
     C             1.21772             5.33518             6.36850
     C             0.00000             5.47239             5.66100
     C            -1.21772             5.33518             6.36850
     C            -2.37438             4.93045             5.66100
     C            -3.41198             4.27848             6.36850
     C            -4.27848             3.41198             5.66100
     C            -4.93045             2.37438             6.36850
     C            -5.33518             1.21772             5.66100
     C            -5.47239             0.00000             6.36850
     C            -5.33518            -1.21772             5.66100
     C            -4.93045            -2.37438             6.36850
     C            -4.27848            -3.41198             5.66100
     C            -3.41198            -4.27848             6.36850
     C            -2.37438            -4.93045             5.66100
     C            -1.21772            -5.33518             6.36850
     C             0.00000            -5.47239             5.66100
     C             1.21772            -5.33518             6.36850
     C             2.37438            -4.93045             5.66100
     C             3.41198            -4.27848             6.36850
     C             4.27848            -3.41198             5.66100
     C             4.93045            -2.37438             6.36850
     C             5.33518            -1.21772             5.66100
     C             5.44978            -0.00295             7.80656
     C             5.26125             1.22601             8.51963
     C             4.88638             2.40254             7.80065
     C             4.23844             3.47331             8.50381
     C             3.39772             4.36218             7.78265
     C             2.37153             5.07895             8.48261
     C             1.21689             5.48799             7.77425
     C            -0.00260             5.67471             8.48624
     C            -1.21139             5.42494             7.78152
     C            -2.35296             4.97971             8.49569
     C            -3.36816             4.27944             7.78464
     C            -4.20164             3.38434             8.49865
     C            -4.90126             2.37544             7.78521
     C            -5.33972             1.22123             8.48545
     C            -5.48307            -0.00239             7.78079
     C            -5.33734            -1.22505             8.48963
     C            -4.90476            -2.38208             7.78870
     C            -4.20104            -3.39162             8.49940
     C            -3.36422            -4.27817             7.78126
     C            -2.34734            -4.97690             8.48929
     C            -1.20266            -5.41390             7.77799
     C             0.00750            -5.66128             8.48142
     C             1.22723            -5.48335             7.77338
     C             2.38521            -5.08928             8.48584
     C             3.40718            -4.37131             7.78074
     C             4.25163            -3.48432             8.49665
     C             4.88916            -2.40205             7.79836
     C             5.26010            -1.22939             8.52396
     C             5.10730            -0.00912            10.63603
     C             5.08405             1.21737             9.92270
     C             4.63276             2.35901            10.61638
     C             4.14929             3.47757             9.91380
     C             3.36695             4.43926            10.60945
     C             2.35957             5.14155             9.89795
     C             1.24469             5.70012            10.60759
     C            -0.00408             5.78012             9.90613
     C            -1.22150             5.55911            10.61319
     C            -2.32315             4.99217             9.91353
     C            -3.25714             4.19471            10.61649
     C            -4.15754             3.36138             9.91147
     C            -4.90098             2.37375            10.60732
     C            -5.34057             1.21899             9.90168
     C            -5.47451            -0.00564            10.61191
     C            -5.33473            -1.23037             9.90543
     C            -4.89233            -2.37990            10.61115
     C            -4.15719            -3.36877             9.91293
     C            -3.25944            -4.20960            10.61462
     C            -2.32223            -5.00244             9.90710
     C            -1.21740            -5.56714            10.60804
     C             0.00252            -5.77150             9.89925
     C             1.24228            -5.69217            10.60457
     C             2.36559            -5.15354             9.90034
     C             3.38454            -4.46704            10.60823
     C             4.17593            -3.50878             9.90735
     C             4.66080            -2.38812            10.61533
     C             5.09101            -1.23485             9.92779
     C             4.98476            -0.00427            12.02972
     C             4.88916             1.20201            12.74957
     C             4.53984             2.34918            12.03163
     C             4.06987             3.47120            12.73298
     C             3.34467             4.46083            12.02546
     C             2.38651             5.22346            12.74138
     C             1.25369             5.74448            12.03877
     C             0.00713             5.79002            12.74209
     C            -1.20824             5.54667            12.03478
     C            -2.30569             4.96587            12.73314
     C            -3.25625             4.18971            12.02769
     C            -4.18183             3.37459            12.72688
     C            -4.91360             2.38088            12.02401
     C            -5.34294             1.22163            12.73177
     C            -5.47111            -0.00490            12.02668
     C            -5.33299            -1.22720            12.73152
     C            -4.89800            -2.37987            12.02516
     C            -4.17078            -3.37000            12.73166
     C            -3.26324            -4.19928            12.02852
     C            -2.31517            -4.98243            12.73590
     C            -1.21688            -5.56570            12.03223
     C             0.00532            -5.80000            12.73611
     C             1.24949            -5.74067            12.03079
     C             2.37779            -5.22620            12.74093
     C             3.35454            -4.48227            12.02546
     C             4.08975            -3.49465            12.72818
     C             4.55923            -2.36587            12.02875
     C             4.89630            -1.21140            12.74684
     C             5.30265            -0.01463            14.86101
     C             5.07443             1.20775            14.15025
     C             4.83256             2.42035            14.85039
     C             4.20199             3.49109            14.13810
     C             3.39568             4.39661            14.86349
     C             2.39449             5.14437            14.16046
     C             1.22925             5.52409            14.87295
     C             0.00698             5.69082            14.16196
     C            -1.20059             5.40689            14.86172
     C            -2.33732             4.94738            14.14892
     C            -3.37093             4.27412            14.85820
     C            -4.23278             3.40500            14.14262
     C            -4.92325             2.38125            14.85282
     C            -5.33781             1.21832            14.14912
     C            -5.47662            -0.00332            14.85689
     C            -5.33634            -1.22496            14.14753
     C            -4.91643            -2.38280            14.85362
     C            -4.22055            -3.39933            14.14559
     C            -3.36532            -4.27434            14.86164
     C            -2.33499            -4.95116            14.15273
     C            -1.19670            -5.40698            14.86025
     C             0.00994            -5.69563            14.15844
     C             1.22808            -5.52531            14.87343
     C             2.38784            -5.14090            14.15768
     C             3.39468            -4.39653            14.85869
     C             4.21550            -3.50004            14.13676
     C             4.85534            -2.43400            14.85308
     C             5.08744            -1.22662            14.15241
     C             5.55478            -0.01227            16.27326
     C             5.55724             1.25882            16.86726
     C             4.93045             2.37438            16.27350
     C             4.27848             3.41198            16.98100
     C             3.41198             4.27848            16.27350
     C             2.37438             4.93045            16.98100
     C             1.21772             5.33518            16.27350
     C             0.00000             5.47239            16.98100
     C            -1.21772             5.33518            16.27350
     C            -2.37438             4.93045            16.98100
     C            -3.41198             4.27848            16.27350
     C            -4.27848             3.41198            16.98100
     C            -4.93045             2.37438            16.27350
     C            -5.33518             1.21772            16.98100
     C            -5.47239             0.00000            16.27350
     C            -5.33518            -1.21772            16.98100
     C            -4.93045            -2.37438            16.27350
     C            -4.27848            -3.41198            16.98100
     C            -3.41198            -4.27848            16.27350
     C            -2.37438            -4.93045            16.98100
     C            -1.21772            -5.33518            16.27350
     C             0.00000            -5.47239            16.98100
     C             1.21772            -5.33518            16.27350
     C             2.37438            -4.93045            16.98100
     C             3.41198            -4.27848            16.27350
     C             4.27848            -3.41198            16.98100
     C             4.93045            -2.37438            16.27350
     C             5.33518            -1.21772            16.98100
     C             7.20842             0.14334            10.57154
     C             7.16436             0.14654            11.95520
     C             8.39665             0.05056             9.84497
     H             8.33845             0.06251             8.73423
     C             9.54730            -0.04706            10.61033
     H            10.53110            -0.12708            10.12291
     C             9.50373            -0.04736            12.00195
     H            10.45455            -0.12887            12.55117
     C             8.33155             0.05137            12.71620
     H             8.21089             0.06745            13.82776
          178
 Energy:   -1208.921511512555    
     C             5.47239             0.00000             6.36850
     C             5.33518             1.21772             5.66100
     C             4.93045             2.37438             6.36850
     C             4.27848             3.41198             5.66100
     C             3.41198             4.27848             6.36850
     C             2.37438             4.93045             5.66100
     C             1.21772             5.33518             6.36850
     C             0.00000             5.47239             5.66100
     C            -1.21772             5.33518             6.36850
     C            -2.37438             4.93045             5.66100
     C            -3.41198             4.27848             6.36850
     C            -4.27848             3.41198             5.66100
     C            -4.93045             2.37438             6.36850
     C            -5.33518             1.21772             5.66100
     C            -5.47239             0.00000             6.36850
     C            -5.33518            -1.21772             5.66100
     C            -4.93045            -2.37438             6.36850
     C            -4.27848            -3.41198             5.66100
     C            -3.41198            -4.27848             6.36850
     C            -2.37438            -4.93045             5.66100
     C            -1.21772            -5.33518             6.36850
     C             0.00000            -5.47239             5.66100
     C             1.21772            -5.33518             6.36850
     C             2.37438            -4.93045             5.66100
     C             3.41198            -4.27848             6.36850
     C             4.27848            -3.41198             5.66100
     C             4.93045            -2.37438             6.36850
     C             5.33518            -1.21772             5.66100
     C             5.50439             0.00018             7.80014
     C             5.34503             1.23850             8.50824
     C             4.93792             2.40577             7.79112
     C             4.26110             3.45838             8.48746
     C             3.41474             4.35389             7.78057
     C             2.39815             5.06677             8.48132
     C             1.23462             5.47653             7.77355
     C             0.00864             5.66183             8.48427
     C            -1.21771             5.41704             7.78412
     C            -2.37512             5.00515             8.49393
     C            -3.39142             4.30339             7.78811
     C            -4.19736             3.38301             8.49951
     C            -4.90019             2.37715             7.78663
     C            -5.33345             1.21875             8.49005
     C            -5.48909            -0.00950             7.78769
     C            -5.33619            -1.23325             8.49157
     C            -4.90451            -2.37719             7.77872
     C            -4.20309            -3.37828             8.49352
     C            -3.38590            -4.29986             7.79134
     C            -2.35886            -5.00354             8.48809
     C            -1.20053            -5.40639             7.77819
     C             0.01176            -5.65147             8.48407
     C             1.23504            -5.47971             7.77446
     C             2.39853            -5.07450             8.48214
     C             3.41815            -4.36068             7.78304
     C             4.26080            -3.46084             8.49287
     C             4.92099            -2.40079             7.79160
     C             5.33671            -1.23830             8.50588
     C             5.21944            -0.01178            10.61639
     C             5.18358             1.21659             9.92299
     C             4.75670             2.38023            10.62646
     C             4.19089             3.46701             9.90434
     C             3.37142             4.40344            10.60367
     C             2.37304             5.12259             9.89865
     C             1.24647             5.62857            10.61272
     C             0.01058             5.77042             9.90898
     C            -1.22255             5.58228            10.61627
     C            -2.33835             5.02646             9.90998
     C            -3.25535             4.20507            10.61327
     C            -4.12754             3.33821             9.91076
     C            -4.87023             2.35666            10.61315
     C            -5.33069             1.21708             9.90570
     C            -5.46949            -0.00813            10.60753
     C            -5.33215            -1.23129             9.90470
     C            -4.86412            -2.36616            10.61294
     C            -4.12664            -3.34843             9.90531
     C            -3.25758            -4.21646            10.61648
     C            -2.33322            -5.02423             9.90396
     C            -1.22444            -5.57875            10.60759
     C             0.00493            -5.76432             9.90343
     C             1.24252            -5.62796            10.60821
     C             2.38283            -5.13662             9.90095
     C             3.39635            -4.43339            10.60657
     C             4.20994            -3.49055             9.91133
     C             4.78250            -2.40740            10.62544
     C             5.18895            -1.23973             9.91901
     C             5.16290            -0.00513            12.03424
     C             5.06334             1.20294            12.74940
     C             4.69357             2.36953            12.02604
     C             4.12110             3.45777            12.73321
     C             3.34622             4.41854            12.02191
     C             2.38314             5.18972            12.74135
     C             1.24812             5.67881            12.03169
     C             0.01735             5.80752            12.74381
     C            -1.20879             5.57546            12.04044
     C            -2.31780             4.99853            12.73960
     C            -3.25084             4.19868            12.02411
     C            -4.13679             3.34332            12.72656
     C            -4.87775             2.36136            12.02380
     C            -5.34711             1.22526            12.72683
     C            -5.47784            -0.00292            12.02437
     C            -5.33703            -1.22837            12.73225
     C            -4.86479            -2.36360            12.02555
     C            -4.12854            -3.34655            12.73435
     C            -3.25258            -4.21837            12.03129
     C            -2.31900            -5.02574            12.73605
     C            -1.21193            -5.59081            12.02881
     C             0.01069            -5.81811            12.73670
     C             1.24424            -5.67621            12.03006
     C             2.38713            -5.19155            12.74127
     C             3.37387            -4.44321            12.02554
     C             4.15155            -3.47360            12.73156
     C             4.72460            -2.38647            12.02481
     C             5.07715            -1.21653            12.74939
     C             5.40724            -0.02062            14.84923
     C             5.17385             1.21289            14.15984
     C             4.84486             2.40346            14.85806
     C             4.21103             3.46432            14.14573
     C             3.41382             4.39562            14.85867
     C             2.41027             5.14343            14.16527
     C             1.23881             5.52061            14.87547
     C             0.01778             5.69267            14.16491
     C            -1.19781             5.40857            14.85946
     C            -2.35034             4.97785            14.15668
     C            -3.38884             4.29178            14.85165
     C            -4.21352             3.38542            14.13740
     C            -4.91656             2.38375            14.85342
     C            -5.34882             1.22902            14.14318
     C            -5.49497             0.00098            14.85302
     C            -5.34462            -1.22881            14.14919
     C            -4.91007            -2.38223            14.85860
     C            -4.20156            -3.38436            14.14648
     C            -3.38208            -4.29672            14.85297
     C            -2.35252            -4.99073            14.15201
     C            -1.19877            -5.41260            14.85918
     C             0.01350            -5.70080            14.15931
     C             1.23782            -5.52210            14.87225
     C             2.40914            -5.13452            14.16649
     C             3.41380            -4.39301            14.86146
     C             4.22160            -3.47586            14.14492
     C             4.86215            -2.42368            14.86010
     C             5.18339            -1.24241            14.14987
     C             5.60486            -0.01473            16.27734
     C             5.53634             1.25355            16.89277
     C             4.93045             2.37438            16.27350
     C             4.27848             3.41198            16.98100
     C             3.41198             4.27848            16.27350
     C             2.37438             4.93045            16.98100
     C             1.21772             5.33518            16.27350
     C             0.00000             5.47239            16.98100
     C            -1.21772             5.33518            16.27350
     C            -2.37438             4.93045            16.98100
     C            -3.41198             4.27848            16.27350
     C            -4.27848             3.41198            16.98100
     C            -4.93045             2.37438            16.27350
     C            -5.33518             1.21772            16.98100
     C            -5.47239             0.00000            16.27350
     C            -5.33518            -1.21772            16.98100
     C            -4.93045            -2.37438            16.27350
     C            -4.27848            -3.41198            16.98100
     C            -3.41198            -4.27848            16.27350
     C            -2.37438            -4.93045            16.98100
     C            -1.21772            -5.33518            16.27350
     C             0.00000            -5.47239            16.98100
     C             1.21772            -5.33518            16.27350
     C             2.37438            -4.93045            16.98100
     C             3.41198            -4.27848            16.27350
     C             4.27848            -3.41198            16.98100
     C             4.93045            -2.37438            16.27350
     C             5.33518            -1.21772            16.98100
     C             7.22320             0.15993            10.54991
     C             7.18707             0.16377            11.96012
     C             8.45618             0.05212             9.89763
     H             8.55105             0.04292             8.77979
     C             9.62771            -0.05178            10.62141
     H            10.58328            -0.12816            10.07767
     C             9.59046            -0.05406            11.98910
     H            10.53193            -0.13947            12.56274
     C             8.38071             0.05473            12.66622
     H             8.43590             0.04568            13.78790
          178
 Energy:   -1209.103698241835    
     C             5.47239             0.00000             6.36850
     C             5.33518             1.21772             5.66100
     C             4.93045             2.37438             6.36850
     C             4.27848             3.41198             5.66100
     C             3.41198             4.27848             6.36850
     C             2.37438             4.93045             5.66100
     C             1.21772             5.33518             6.36850
     C             0.00000             5.47239             5.66100
     C            -1.21772             5.33518             6.36850
     C            -2.37438             4.93045             5.66100
     C            -3.41198             4.27848             6.36850
     C            -4.27848             3.41198             5.66100
     C            -4.93045             2.37438             6.36850
     C            -5.33518             1.21772             5.66100
     C            -5.47239             0.00000             6.36850
     C            -5.33518            -1.21772             5.66100
     C            -4.93045            -2.37438             6.36850
     C            -4.27848            -3.41198             5.66100
     C            -3.41198            -4.27848             6.36850
     C            -2.37438            -4.93045             5.66100
     C            -1.21772            -5.33518             6.36850
     C             0.00000            -5.47239             5.66100
     C             1.21772            -5.33518             6.36850
     C             2.37438            -4.93045             5.66100
     C             3.41198            -4.27848             6.36850
     C             4.27848            -3.41198             5.66100
     C             4.93045            -2.37438             6.36850
     C             5.33518            -1.21772             5.66100
     C             5.54858             0.00128             7.78638
     C             5.39455             1.23703             8.49099
     C             4.98666             2.40838             7.78339
     C             4.28652             3.43899             8.48343
     C             3.43555             4.33375             7.77953
     C             2.41893             5.06163             8.48054
     C             1.24210             5.44703             7.78088
     C             0.01309             5.64926             8.47815
     C            -1.21040             5.42904             7.78205
     C            -2.38012             5.03607             8.48997
     C            -3.40752             4.32497             7.78796
     C            -4.20543             3.38260             8.49486
     C            -4.90767             2.36673             7.78677
     C            -5.33319             1.21332             8.49483
     C            -5.49381            -0.00202             7.78353
     C            -5.34697            -1.22490             8.48989
     C            -4.90717            -2.37640             7.78558
     C            -4.19930            -3.38771             8.49278
     C            -3.40076            -4.32065             7.78295
     C            -2.37619            -5.01887             8.49054
     C            -1.21147            -5.42067             7.78346
     C             0.01347            -5.64835             8.47865
     C             1.24162            -5.45341             7.77936
     C             2.41715            -5.06564             8.48013
     C             3.42925            -4.33422             7.78163
     C             4.27185            -3.43964             8.49321
     C             4.95891            -2.40723             7.78159
     C             5.38031            -1.23811             8.48306
     C             5.29006            -0.01498            10.61845
     C             5.28801             1.23049             9.90744
     C             4.88225             2.40151            10.61004
     C             4.24141             3.45756             9.90350
     C             3.37867             4.35826            10.61005
     C             2.39905             5.10730             9.89639
     C             1.24023             5.56562            10.60367
     C             0.01423             5.73736             9.89413
     C            -1.21147             5.59380            10.61323
     C            -2.33790             5.05045             9.91140
     C            -3.27381             4.23781            10.61350
     C            -4.12020             3.33775             9.90741
     C            -4.82594             2.33347            10.61253
     C            -5.31809             1.21052             9.90580
     C            -5.48251            -0.00554            10.61161
     C            -5.32575            -1.22567             9.90492
     C            -4.82442            -2.34652            10.61509
     C            -4.12055            -3.34745             9.90520
     C            -3.27790            -4.24268            10.61376
     C            -2.33632            -5.03647             9.90881
     C            -1.21350            -5.58732            10.60796
     C             0.01535            -5.73308             9.89525
     C             1.24297            -5.57164            10.60612
     C             2.40785            -5.12186             9.89756
     C             3.40350            -4.38929            10.61448
     C             4.25312            -3.47373             9.91109
     C             4.90417            -2.41946            10.61263
     C             5.29496            -1.24626             9.90250
     C             5.26959            -0.01928            12.03546
     C             5.24170             1.22279            12.74090
     C             4.85745             2.39854            12.04283
     C             4.19669             3.45191            12.73186
     C             3.36245             4.36869            12.03038
     C             2.40162             5.14309            12.73931
     C             1.24044             5.60120            12.03390
     C             0.01238             5.79642            12.75083
     C            -1.21501             5.59956            12.04230
     C            -2.31961             5.02412            12.73719
     C            -3.26251             4.23230            12.03163
     C            -4.11218             3.33216            12.72978
     C            -4.82929             2.33578            12.02377
     C            -5.34679             1.21756            12.73117
     C            -5.49857            -0.00295            12.02333
     C            -5.33784            -1.21947            12.73484
     C            -4.81975            -2.34363            12.03003
     C            -4.10366            -3.34790            12.73244
     C            -3.26436            -4.25247            12.02887
     C            -2.32330            -5.05055            12.73153
     C            -1.21295            -5.61052            12.03431
     C             0.01379            -5.80374            12.74817
     C             1.24735            -5.59927            12.03708
     C             2.41495            -5.14491            12.73914
     C             3.39893            -4.39175            12.03516
     C             4.22757            -3.47273            12.73617
     C             4.89435            -2.42538            12.04218
     C             5.26245            -1.24801            12.73090
     C             5.52561            -0.02401            14.85976
     C             5.28346             1.20148            14.16009
     C             4.85561             2.37047            14.85523
     C             4.21407             3.43443            14.14861
     C             3.43136             4.37755            14.86407
     C             2.43386             5.13187            14.15998
     C             1.25119             5.49894            14.86603
     C             0.01679             5.69370            14.17162
     C            -1.20571             5.43143            14.86469
     C            -2.36076             5.01056            14.15200
     C            -3.39191             4.31140            14.85353
     C            -4.19295             3.37577            14.14324
     C            -4.91539             2.37417            14.85420
     C            -5.36830             1.22743            14.14741
     C            -5.51242             0.00387            14.85560
     C            -5.35853            -1.22184            14.15118
     C            -4.90737            -2.37192            14.85455
     C            -4.18727            -3.37657            14.14479
     C            -3.38850            -4.31923            14.85254
     C            -2.36493            -5.03429            14.14792
     C            -1.20930            -5.44462            14.86400
     C             0.01258            -5.70211            14.17041
     C             1.24689            -5.49700            14.86306
     C             2.43208            -5.12741            14.15919
     C             3.42908            -4.37831            14.86600
     C             4.23128            -3.45363            14.15357
     C             4.87600            -2.39074            14.85557
     C             5.29375            -1.23360            14.15119
     C             5.60537            -0.00283            16.29330
     C             5.51097             1.26275            16.88739
     C             4.93045             2.37438            16.27350
     C             4.27848             3.41198            16.98100
     C             3.41198             4.27848            16.27350
     C             2.37438             4.93045            16.98100
     C             1.21772             5.33518            16.27350
     C             0.00000             5.47239            16.98100
     C            -1.21772             5.33518            16.27350
     C            -2.37438             4.93045            16.98100
     C            -3.41198             4.27848            16.27350
     C            -4.27848             3.41198            16.98100
     C            -4.93045             2.37438            16.27350
     C            -5.33518             1.21772            16.98100
     C            -5.47239             0.00000            16.27350
     C            -5.33518            -1.21772            16.98100
     C            -4.93045            -2.37438            16.27350
     C            -4.27848            -3.41198            16.98100
     C            -3.41198            -4.27848            16.27350
     C            -2.37438            -4.93045            16.98100
     C            -1.21772            -5.33518            16.27350
     C             0.00000            -5.47239            16.98100
     C             1.21772            -5.33518            16.27350
     C             2.37438            -4.93045            16.98100
     C             3.41198            -4.27848            16.27350
     C             4.27848            -3.41198            16.98100
     C             4.93045            -2.37438            16.27350
     C             5.33518            -1.21772            16.98100
     C             7.28840             0.18523            10.54091
     C             7.28161             0.19184            11.93784
     C             8.53362             0.05128             9.87402
     H             8.50224             0.04944             8.75121
     C             9.71807            -0.05662            10.60199
     H            10.70411            -0.14436            10.12292
     C             9.68234            -0.05998            12.01515
     H            10.63332            -0.15427            12.56354
     C             8.47547             0.05284            12.68720
     H             8.38374             0.05040            13.80358
          178
 Energy:   -1208.859093070281    
     C             5.47239             0.00000             6.36850
     C             5.33518             1.21772             5.66100
     C             4.93045             2.37438             6.36850
     C             4.27848             3.41198             5.66100
     C             3.41198             4.27848             6.36850
     C             2.37438             4.93045             5.66100
     C             1.21772             5.33518             6.36850
     C             0.00000             5.47239             5.66100
     C            -1.21772             5.33518             6.36850
     C            -2.37438             4.93045             5.66100
     C            -3.41198             4.27848             6.36850
     C            -4.27848             3.41198             5.66100
     C            -4.93045             2.37438             6.36850
     C            -5.33518             1.21772             5.66100
     C            -5.47239             0.00000             6.36850
     C            -5.33518            -1.21772             5.66100
     C            -4.93045            -2.37438             6.36850
     C            -4.27848            -3.41198             5.66100
     C            -3.41198            -4.27848             6.36850
     C            -2.37438            -4.93045             5.66100
     C            -1.21772            -5.33518             6.36850
     C             0.00000            -5.47239             5.66100
     C             1.21772            -5.33518             6.36850
     C             2.37438            -4.93045             5.66100
     C             3.41198            -4.27848             6.36850
     C             4.27848            -3.41198             5.66100
     C             4.93045            -2.37438             6.36850
     C             5.33518            -1.21772             5.66100
     C             5.56497            -0.00383             7.77908
     C             5.43304             1.22983             8.48215
     C             5.00712             2.40266             7.78674
     C             4.31859             3.43741             8.49515
     C             3.44471             4.31770             7.78838
     C             2.43108             5.04712             8.47943
     C             1.24329             5.41820             7.77736
     C             0.01953             5.62888             8.47123
     C            -1.21223             5.45182             7.77159
     C            -2.37809             5.05595             8.48961
     C            -3.40493             4.33362             7.78877
     C            -4.21454             3.39677             8.49150
     C            -4.90813             2.37077             7.78714
     C            -5.33898             1.21533             8.49024
     C            -5.49990            -0.00023             7.77922
     C            -5.35556            -1.22168             8.49113
     C            -4.90967            -2.38124             7.79273
     C            -4.20809            -3.40309             8.49581
     C            -3.40098            -4.32822             7.78439
     C            -2.38054            -5.03320             8.49260
     C            -1.22235            -5.44922             7.77727
     C             0.01531            -5.63654             8.47168
     C             1.24245            -5.42347             7.77778
     C             2.42856            -5.05230             8.48345
     C             3.42910            -4.31234             7.78643
     C             4.29799            -3.43259             8.49297
     C             4.98409            -2.40071             7.78602
     C             5.41578            -1.23498             8.48090
     C             5.33938            -0.00647            10.60269
     C             5.37410             1.22876             9.90642
     C             5.00156             2.42276            10.61524
     C             4.29288             3.44547             9.91273
     C             3.40861             4.31536            10.61191
     C             2.41718             5.06654             9.90808
     C             1.24785             5.52132            10.60504
     C             0.01993             5.68862             9.89231
     C            -1.21169             5.58580            10.60704
     C            -2.34306             5.06372             9.91186
     C            -3.29960             4.28345            10.61607
     C            -4.12956             3.36846             9.90752
     C            -4.77641             2.31706            10.61224
     C            -5.30224             1.20454             9.90612
     C            -5.50858            -0.00591            10.61468
     C            -5.31500            -1.21750             9.90828
     C            -4.78564            -2.32540            10.61712
     C            -4.13480            -3.37189             9.91088
     C            -3.30266            -4.28409            10.61367
     C            -2.33680            -5.05024             9.91199
     C            -1.20469            -5.57992            10.60782
     C             0.03071            -5.68786             9.89592
     C             1.26012            -5.52838            10.61169
     C             2.42565            -5.08065             9.91201
     C             3.42703            -4.34093            10.61376
     C             4.29653            -3.45625             9.91252
     C             5.01850            -2.44198            10.61060
     C             5.37835            -1.24541             9.90121
     C             5.33125            -0.01770            12.02650
     C             5.38635             1.21951            12.73059
     C             5.01342             2.42633            12.02708
     C             4.28159             3.43774            12.73533
     C             3.40616             4.31862            12.03162
     C             2.41174             5.08052            12.73125
     C             1.24260             5.53352            12.03301
     C             0.01891             5.74646            12.74645
     C            -1.21495             5.61149            12.03064
     C            -2.33104             5.05176            12.73213
     C            -3.28824             4.26902            12.03000
     C            -4.10851             3.34636            12.73718
     C            -4.78055             2.31214            12.03014
     C            -5.33685             1.21347            12.73596
     C            -5.52668            -0.00446            12.03142
     C            -5.32593            -1.22103            12.73432
     C            -4.77662            -2.32322            12.03278
     C            -4.10876            -3.36035            12.73163
     C            -3.29295            -4.28485            12.02441
     C            -2.33983            -5.07117            12.73155
     C            -1.20853            -5.61765            12.03490
     C             0.03197            -5.74687            12.74818
     C             1.25887            -5.53475            12.03798
     C             2.42666            -5.08804            12.73351
     C             3.43152            -4.34632            12.03465
     C             4.31535            -3.47340            12.74115
     C             5.04678            -2.47179            12.02435
     C             5.41421            -1.26842            12.73481
     C             5.62070            -0.01788            14.87680
     C             5.40509             1.20913            14.15711
     C             4.87623             2.34664            14.84770
     C             4.23504             3.40420            14.15091
     C             3.43331             4.34557            14.85477
     C             2.44144             5.09865            14.15868
     C             1.25212             5.47396            14.86117
     C             0.01709             5.68873            14.17228
     C            -1.21445             5.46844            14.86657
     C            -2.36612             5.03881            14.15278
     C            -3.38057             4.31521            14.85603
     C            -4.18260             3.37685            14.15254
     C            -4.90967             2.37126            14.85259
     C            -5.38343             1.22301            14.15327
     C            -5.53028             0.00058            14.86404
     C            -5.36851            -1.21694            14.14958
     C            -4.89908            -2.36872            14.84835
     C            -4.17892            -3.38569            14.14669
     C            -3.38495            -4.32557            14.85486
     C            -2.37784            -5.06460            14.15444
     C            -1.21882            -5.49102            14.86762
     C             0.01910            -5.69583            14.17409
     C             1.24936            -5.46839            14.86244
     C             2.43763            -5.10134            14.15922
     C             3.43389            -4.35350            14.85461
     C             4.26338            -3.42792            14.15638
     C             4.90693            -2.36626            14.85440
     C             5.42506            -1.23873            14.15243
     C             5.58850            -0.00888            16.31573
     C             5.50038             1.25972            16.89586
     C             4.93045             2.37438            16.27350
     C             4.27848             3.41198            16.98100
     C             3.41198             4.27848            16.27350
     C             2.37438             4.93045            16.98100
     C             1.21772             5.33518            16.27350
     C             0.00000             5.47239            16.98100
     C            -1.21772             5.33518            16.27350
     C            -2.37438             4.93045            16.98100
     C            -3.41198             4.27848            16.27350
     C            -4.27848             3.41198            16.98100
     C            -4.93045             2.37438            16.27350
     C            -5.33518             1.21772            16.98100
     C            -5.47239             0.00000            16.27350
     C            -5.33518            -1.21772            16.98100
     C            -4.93045            -2.37438            16.27350
     C            -4.27848            -3.41198            16.98100
     C            -3.41198            -4.27848            16.27350
     C            -2.37438            -4.93045            16.98100
     C            -1.21772            -5.33518            16.27350
     C             0.00000            -5.47239            16.98100
     C             1.21772            -5.33518            16.27350
     C             2.37438            -4.93045            16.98100
     C             3.41198            -4.27848            16.27350
     C             4.27848            -3.41198            16.98100
     C             4.93045            -2.37438            16.27350
     C             5.33518            -1.21772            16.98100
     C             7.44976             0.21467            10.53497
     C             7.47404             0.22827            11.92649
     C             8.63433             0.05297             9.81262
     H             8.60260             0.03596             8.71061
     C             9.77621            -0.06092            10.61681
     H            10.72180            -0.15600            10.08818
     C             9.76521            -0.06576            12.00874
     H            10.68982            -0.16739            12.57108
     C             8.57445             0.05589            12.73002
     H             8.44176             0.03869            13.81534
          178
 Energy:   -1208.764300047299    
     C             5.47239             0.00000             6.36850
     C             5.33518             1.21772             5.66100
     C             4.93045             2.37438             6.36850
     C             4.27848             3.41198             5.66100
     C             3.41198             4.27848             6.36850
     C             2.37438             4.93045             5.66100
     C             1.21772             5.33518             6.36850
     C             0.00000             5.47239             5.66100
     C            -1.21772             5.33518             6.36850
     C            -2.37438             4.93045             5.66100
     C            -3.41198             4.27848             6.36850
     C            -4.27848             3.41198             5.66100
     C            -4.93045             2.37438             6.36850
     C            -5.33518             1.21772             5.66100
     C            -5.47239             0.00000             6.36850
     C            -5.33518            -1.21772             5.66100
     C            -4.93045            -2.37438             6.36850
     C            -4.27848            -3.41198             5.66100
     C            -3.41198            -4.27848             6.36850
     C            -2.37438            -4.93045             5.66100
     C            -1.21772            -5.33518             6.36850
     C             0.00000            -5.47239             5.66100
     C             1.21772            -5.33518             6.36850
     C             2.37438            -4.93045             5.66100
     C             3.41198            -4.27848             6.36850
     C             4.27848            -3.41198             5.66100
     C             4.93045            -2.37438             6.36850
     C             5.33518            -1.21772             5.66100
     C             5.55952            -0.00461             7.78595
     C             5.46070             1.23360             8.49112
     C             5.00218             2.39234             7.78815
     C             4.34719             3.44454             8.49875
     C             3.45399             4.30986             7.79201
     C             2.42215             5.00997             8.49699
     C             1.25179             5.40309             7.78171
     C             0.02157             5.60015             8.47907
     C            -1.21923             5.46623             7.78110
     C            -2.38239             5.05537             8.48546
     C            -3.39012             4.33110             7.78597
     C            -4.21952             3.42567             8.49966
     C            -4.90403             2.39165             7.78843
     C            -5.33953             1.22697             8.49066
     C            -5.50818            -0.00685             7.78833
     C            -5.34841            -1.23431             8.49618
     C            -4.91564            -2.38694             7.78624
     C            -4.23239            -3.41615             8.50273
     C            -3.39227            -4.32341             7.79435
     C            -2.37146            -5.05072             8.48855
     C            -1.21567            -5.47014             7.77762
     C             0.01846            -5.60990             8.48344
     C             1.24401            -5.40893             7.78497
     C             2.41630            -5.01629             8.49854
     C             3.43631            -4.30338             7.79118
     C             4.32692            -3.43590             8.49123
     C             4.99164            -2.38934             7.78571
     C             5.45060            -1.23863             8.49443
     C             5.46189            -0.00911            10.60202
     C             5.42800             1.23759             9.90612
     C             5.10721             2.43050            10.60599
     C             4.35804             3.43275             9.92159
     C             3.44923             4.29144            10.61288
     C             2.42225             5.00383             9.91520
     C             1.26688             5.47695            10.61077
     C             0.03690             5.64236             9.89956
     C            -1.20873             5.56169            10.60088
     C            -2.35999             5.07763             9.90004
     C            -3.33393             4.32581            10.61274
     C            -4.15430             3.40102             9.91302
     C            -4.74054             2.31756            10.61816
     C            -5.28640             1.21276             9.90850
     C            -5.52821            -0.00099            10.61616
     C            -5.30437            -1.21962             9.91123
     C            -4.75865            -2.32421            10.61618
     C            -4.16142            -3.40194             9.91705
     C            -3.33024            -4.32661            10.61446
     C            -2.34388            -5.07003             9.90505
     C            -1.19426            -5.55463            10.61011
     C             0.04664            -5.64748             9.90359
     C             1.27841            -5.48536            10.61439
     C             2.43498            -5.01650             9.91660
     C             3.45991            -4.30427            10.61317
     C             4.35194            -3.44345             9.90810
     C             5.11737            -2.45866            10.59964
     C             5.42535            -1.24870             9.91153
     C             5.49900            -0.02481            12.01739
     C             5.47617             1.22549            12.72640
     C             5.13723             2.42964            12.04013
     C             4.36381             3.41917            12.72689
     C             3.45483             4.28634            12.03554
     C             2.42038             5.00097            12.72572
     C             1.26415             5.47465            12.02986
     C             0.03443             5.68212            12.73223
     C            -1.21004             5.58818            12.02817
     C            -2.35397             5.08838            12.73299
     C            -3.31881             4.30791            12.03056
     C            -4.12153             3.36826            12.73842
     C            -4.74411             2.30875            12.03490
     C            -5.32169             1.21355            12.73898
     C            -5.54387            -0.00505            12.03394
     C            -5.31205            -1.22019            12.73648
     C            -4.75110            -2.31713            12.02857
     C            -4.13063            -3.37868            12.73392
     C            -3.32343            -4.32039            12.03465
     C            -2.35686            -5.10236            12.73752
     C            -1.20121            -5.58567            12.03591
     C             0.04327            -5.67651            12.73830
     C             1.27349            -5.48410            12.03392
     C             2.43116            -5.01990            12.73313
     C             3.47065            -4.31677            12.03651
     C             4.40001            -3.47382            12.72746
     C             5.17050            -2.47898            12.03498
     C             5.50816            -1.26795            12.72098
     C             5.68492            -0.01639            14.87804
     C             5.51242             1.22383            14.16033
     C             4.93460             2.34192            14.85595
     C             4.27414             3.38476            14.14568
     C             3.42780             4.29951            14.85042
     C             2.41458             5.03643            14.14755
     C             1.24699             5.45374            14.86107
     C             0.02252             5.66903            14.15636
     C            -1.21416             5.49746            14.86308
     C            -2.37024             5.05853            14.15234
     C            -3.36717             4.30555            14.85622
     C            -4.18579             3.38539            14.15004
     C            -4.90422             2.37490            14.85594
     C            -5.37798             1.23027            14.15496
     C            -5.54468            -0.00336            14.85535
     C            -5.35982            -1.23390            14.15146
     C            -4.89027            -2.37717            14.85465
     C            -4.18896            -3.39495            14.14672
     C            -3.37687            -4.32186            14.85739
     C            -2.38192            -5.08347            14.15708
     C            -1.22103            -5.51885            14.86349
     C             0.02430            -5.67309            14.16120
     C             1.24855            -5.45075            14.86466
     C             2.42253            -5.03962            14.15470
     C             3.44245            -4.30925            14.85364
     C             4.31142            -3.41413            14.15067
     C             4.97395            -2.36862            14.85967
     C             5.54702            -1.25625            14.16557
     C             5.59623             0.00028            16.31296
     C             5.49365             1.25664            16.93251
     C             4.93045             2.37438            16.27350
     C             4.27848             3.41198            16.98100
     C             3.41198             4.27848            16.27350
     C             2.37438             4.93045            16.98100
     C             1.21772             5.33518            16.27350
     C             0.00000             5.47239            16.98100
     C            -1.21772             5.33518            16.27350
     C            -2.37438             4.93045            16.98100
     C            -3.41198             4.27848            16.27350
     C            -4.27848             3.41198            16.98100
     C            -4.93045             2.37438            16.27350
     C            -5.33518             1.21772            16.98100
     C            -5.47239             0.00000            16.27350
     C            -5.33518            -1.21772            16.98100
     C            -4.93045            -2.37438            16.27350
     C            -4.27848            -3.41198            16.98100
     C            -3.41198            -4.27848            16.27350
     C            -2.37438            -4.93045            16.98100
     C            -1.21772            -5.33518            16.27350
     C             0.00000            -5.47239            16.98100
     C             1.21772            -5.33518            16.27350
     C             2.37438            -4.93045            16.98100
     C             3.41198            -4.27848            16.27350
     C             4.27848            -3.41198            16.98100
     C             4.93045            -2.37438            16.27350
     C             5.33518            -1.21772            16.98100
     C             7.55016             0.25329            10.52191
     C             7.53787             0.27555            11.91697
     C             8.76929             0.05479             9.78459
     H             8.86407             0.00650             8.71574
     C             9.86759            -0.07329            10.59993
     H            10.83723            -0.18405            10.13699
     C             9.87173            -0.07823            12.02265
     H            10.83117            -0.19724            12.49527
     C             8.72410             0.05958            12.75275
     H             8.72920             0.00344            13.82180
          178
 Energy:   -1208.902801247487    
     C             5.47239             0.00000             6.36850
     C             5.33518             1.21772             5.66100
     C             4.93045             2.37438             6.36850
     C             4.27848             3.41198             5.66100
     C             3.41198             4.27848             6.36850
     C             2.37438             4.93045             5.66100
     C             1.21772             5.33518             6.36850
     C             0.00000             5.47239             5.66100
     C            -1.21772             5.33518             6.36850
     C            -2.37438             4.93045             5.66100
     C            -3.41198             4.27848             6.36850
     C            -4.27848             3.41198             5.66100
     C            -4.93045             2.37438             6.36850
     C            -5.33518             1.21772             5.66100
     C            -5.47239             0.00000             6.36850
     C            -5.33518            -1.21772             5.66100
     C            -4.93045            -2.37438             6.36850
     C            -4.27848            -3.41198             5.66100
     C            -3.41198            -4.27848             6.36850
     C            -2.37438            -4.93045             5.66100
     C            -1.21772            -5.33518             6.36850
     C             0.00000            -5.47239             5.66100
     C             1.21772            -5.33518             6.36850
     C             2.37438            -4.93045             5.66100
     C             3.41198            -4.27848             6.36850
     C             4.27848            -3.41198             5.66100
     C             4.93045            -2.37438             6.36850
     C             5.33518            -1.21772             5.66100
     C             5.55788             0.00079             7.79194
     C             5.45405             1.23848             8.48743
     C             4.99761             2.38743             7.78269
     C             4.36510             3.44413             8.49451
     C             3.46205             4.30661             7.79189
     C             2.41184             4.94915             8.50160
     C             1.24928             5.39226             7.79295
     C             0.02555             5.57537             8.49396
     C            -1.20942             5.45140             7.78139
     C            -2.38289             5.05160             8.48230
     C            -3.38938             4.32403             7.77983
     C            -4.23430             3.44146             8.50131
     C            -4.90892             2.40213             7.79352
     C            -5.32770             1.23563             8.49791
     C            -5.50550             0.00138             7.79398
     C            -5.33673            -1.23407             8.49711
     C            -4.92161            -2.40118             7.79066
     C            -4.24709            -3.43897             8.50060
     C            -3.38833            -4.31942             7.78610
     C            -2.37475            -5.05631             8.48467
     C            -1.19982            -5.45881             7.78110
     C             0.02979            -5.58542             8.49912
     C             1.24780            -5.39860             7.79031
     C             2.40600            -4.95296             8.49770
     C             3.44981            -4.30253             7.78827
     C             4.34934            -3.43866             8.48669
     C             4.99679            -2.38812             7.78133
     C             5.45637            -1.24046             8.49040
     C             5.63171            -0.01098            10.61187
     C             5.49229             1.22456             9.91090
     C             5.17591             2.43421            10.61897
     C             4.42510             3.44826             9.91656
     C             3.49679             4.27464            10.61827
     C             2.43228             4.93443             9.92413
     C             1.28036             5.41699            10.61013
     C             0.04697             5.60411             9.91148
     C            -1.19855             5.52320            10.60307
     C            -2.37196             5.09389             9.90243
     C            -3.36883             4.36581            10.61596
     C            -4.17920             3.42490             9.91987
     C            -4.74371             2.33114            10.62277
     C            -5.27698             1.22524             9.91614
     C            -5.51773             0.00241            10.61013
     C            -5.29558            -1.22422             9.91669
     C            -4.76475            -2.33905            10.61797
     C            -4.18432            -3.43077             9.91915
     C            -3.36066            -4.36366            10.61982
     C            -2.35516            -5.08894             9.90900
     C            -1.18546            -5.51502            10.61381
     C             0.05305            -5.61394             9.91720
     C             1.28720            -5.43069            10.61209
     C             2.43441            -4.94805             9.92004
     C             3.49373            -4.28415            10.61593
     C             4.41693            -3.45543             9.90986
     C             5.18160            -2.45940            10.61342
     C             5.48295            -1.24835             9.91131
     C             5.67919            -0.01856            12.03977
     C             5.57079             1.21796            12.74373
     C             5.19600             2.42458            12.03551
     C             4.42036             3.42105            12.72834
     C             3.49998             4.26408            12.03574
     C             2.42973             4.92260            12.72612
     C             1.28460             5.41435            12.02853
     C             0.04702             5.62391            12.72112
     C            -1.20053             5.53349            12.02387
     C            -2.37380             5.11648            12.73369
     C            -3.35226             4.35617            12.03219
     C            -4.13672             3.39465            12.73142
     C            -4.74189             2.31824            12.03371
     C            -5.30235             1.22007            12.73240
     C            -5.53104             0.00069            12.03365
     C            -5.29950            -1.22206            12.73358
     C            -4.75672            -2.32909            12.03080
     C            -4.15055            -3.40413            12.73279
     C            -3.35345            -4.36394            12.03931
     C            -2.37122            -5.12301            12.73863
     C            -1.19450            -5.52076            12.03140
     C             0.04557            -5.61878            12.73001
     C             1.28614            -5.42950            12.03376
     C             2.44004            -4.94801            12.73137
     C             3.51495            -4.29617            12.03667
     C             4.46420            -3.47120            12.72749
     C             5.23082            -2.46905            12.03146
     C             5.60224            -1.26268            12.74221
     C             5.73999            -0.01221            14.87522
     C             5.56746             1.22256            14.16589
     C             5.02480             2.36063            14.85458
     C             4.32798             3.37957            14.14460
     C             3.41819             4.24766            14.84619
     C             2.39192             4.93554            14.14467
     C             1.24633             5.42519            14.85055
     C             0.02341             5.63614            14.14488
     C            -1.21046             5.49120            14.85906
     C            -2.37598             5.07043            14.15459
     C            -3.36291             4.30385            14.85501
     C            -4.19647             3.39782            14.14698
     C            -4.90312             2.38223            14.85512
     C            -5.35702             1.22720            14.14991
     C            -5.53593            -0.00590            14.85200
     C            -5.34251            -1.23637            14.15299
     C            -4.89350            -2.38812            14.86076
     C            -4.20312            -3.41131            14.14921
     C            -3.37433            -4.32287            14.85304
     C            -2.38300            -5.09193            14.15866
     C            -1.21298            -5.50084            14.86442
     C             0.02353            -5.63541            14.15222
     C             1.25261            -5.42656            14.85114
     C             2.40843            -4.94437            14.15317
     C             3.44322            -4.26149            14.84966
     C             4.37374            -3.42134            14.14285
     C             5.07204            -2.39751            14.85462
     C             5.61265            -1.25961            14.15893
     C             5.63270             0.00416            16.32063
     C             5.47399             1.26475            16.94691
     C             4.93045             2.37438            16.27350
     C             4.27848             3.41198            16.98100
     C             3.41198             4.27848            16.27350
     C             2.37438             4.93045            16.98100
     C             1.21772             5.33518            16.27350
     C             0.00000             5.47239            16.98100
     C            -1.21772             5.33518            16.27350
     C            -2.37438             4.93045            16.98100
     C            -3.41198             4.27848            16.27350
     C            -4.27848             3.41198            16.98100
     C            -4.93045             2.37438            16.27350
     C            -5.33518             1.21772            16.98100
     C            -5.47239             0.00000            16.27350
     C            -5.33518            -1.21772            16.98100
     C            -4.93045            -2.37438            16.27350
     C            -4.27848            -3.41198            16.98100
     C            -3.41198            -4.27848            16.27350
     C            -2.37438            -4.93045            16.98100
     C            -1.21772            -5.33518            16.27350
     C             0.00000            -5.47239            16.98100
     C             1.21772            -5.33518            16.27350
     C             2.37438            -4.93045            16.98100
     C             3.41198            -4.27848            16.27350
     C             4.27848            -3.41198            16.98100
     C             4.93045            -2.37438            16.27350
     C             5.33518            -1.21772            16.98100
     C             7.64628             0.29082            10.52225
     C             7.65404             0.31388            11.92969
     C             8.86225             0.06845             9.82937
     H             8.93792             0.02219             8.78122
     C            10.04914            -0.09952            10.60882
     H            10.98763            -0.23360            10.08877
     C            10.03148            -0.09928            11.97972
     H            10.93200            -0.23977            12.55620
     C             8.79372             0.08382            12.69385
     H             8.81804             0.03045            13.74600
          178
 Energy:   -1208.635433875692    
     C             5.47239             0.00000             6.36850
     C             5.33518             1.21772             5.66100
     C             4.93045             2.37438             6.36850
     C             4.27848             3.41198             5.66100
     C             3.41198             4.27848             6.36850
     C             2.37438             4.93045             5.66100
     C             1.21772             5.33518             6.36850
     C             0.00000             5.47239             5.66100
     C            -1.21772             5.33518             6.36850
     C            -2.37438             4.93045             5.66100
     C            -3.41198             4.27848             6.36850
     C            -4.27848             3.41198             5.66100
     C            -4.93045             2.37438             6.36850
     C            -5.33518             1.21772             5.66100
     C            -5.47239             0.00000             6.36850
     C            -5.33518            -1.21772             5.66100
     C            -4.93045            -2.37438             6.36850
     C            -4.27848            -3.41198             5.66100
     C            -3.41198            -4.27848             6.36850
     C            -2.37438            -4.93045             5.66100
     C            -1.21772            -5.33518             6.36850
     C             0.00000            -5.47239             5.66100
     C             1.21772            -5.33518             6.36850
     C             2.37438            -4.93045             5.66100
     C             3.41198            -4.27848             6.36850
     C             4.27848            -3.41198             5.66100
     C             4.93045            -2.37438             6.36850
     C             5.33518            -1.21772             5.66100
     C             5.55543            -0.00093             7.77554
     C             5.43357             1.22451             8.49502
     C             5.00118             2.38626             7.78082
     C             4.38190             3.44730             8.49043
     C             3.46854             4.28520             7.78408
     C             2.40312             4.89849             8.50147
     C             1.25193             5.36046             7.79027
     C             0.02762             5.55912             8.49798
     C            -1.19627             5.40960             7.78143
     C            -2.37647             5.04692             8.48855
     C            -3.40181             4.32999             7.78989
     C            -4.25526             3.44028             8.49996
     C            -4.92234             2.39628             7.78908
     C            -5.31433             1.23224             8.50311
     C            -5.48118             0.00997             7.78997
     C            -5.32679            -1.22318             8.49636
     C            -4.92904            -2.40354             7.79548
     C            -4.25137            -3.45784             8.49757
     C            -3.39310            -4.33619             7.78248
     C            -2.37857            -5.04741             8.49253
     C            -1.19949            -5.41524             7.78780
     C             0.03528            -5.57037             8.49765
     C             1.25830            -5.36818             7.78781
     C             2.40341            -4.89994             8.49736
     C             3.46652            -4.28372             7.78209
     C             4.37786            -3.44777             8.49475
     C             5.00502            -2.39030             7.78088
     C             5.44159            -1.22921             8.48576
     C             5.79265            -0.01550            10.62684
     C             5.57813             1.22944             9.91591
     C             5.19971             2.42330            10.60871
     C             4.48747             3.46172             9.91002
     C             3.53963             4.26585            10.61747
     C             2.44461             4.87446             9.91914
     C             1.28565             5.34094            10.61305
     C             0.05049             5.56448             9.91871
     C            -1.19221             5.47626            10.61180
     C            -2.37488             5.09831             9.90811
     C            -3.39873             4.40274            10.61623
     C            -4.19803             3.44854             9.91637
     C            -4.78648             2.36017            10.61843
     C            -5.27585             1.22302             9.91629
     C            -5.47337             0.00095            10.61568
     C            -5.28684            -1.22327             9.91266
     C            -4.80498            -2.36817            10.61802
     C            -4.20363            -3.45528             9.91641
     C            -3.39174            -4.39602            10.61838
     C            -2.37162            -5.09091             9.90945
     C            -1.18841            -5.46860            10.61431
     C             0.05444            -5.57666             9.92073
     C             1.28538            -5.36314            10.62126
     C             2.43316            -4.88476             9.91558
     C             3.52935            -4.27912            10.61577
     C             4.47533            -3.47178             9.91263
     C             5.20184            -2.44328            10.60744
     C             5.57707            -1.24748             9.90929
     C             5.79869            -0.01972            12.05404
     C             5.66642             1.23890            12.75057
     C             5.20646             2.40576            12.05086
     C             4.46015             3.41898            12.73873
     C             3.52885             4.24971            12.03770
     C             2.43185             4.85805            12.72686
     C             1.28505             5.34475            12.03038
     C             0.05169             5.57076            12.72270
     C            -1.18742             5.47570            12.02631
     C            -2.37529             5.11815            12.73538
     C            -3.39399             4.40163            12.03452
     C            -4.16034             3.42175            12.73052
     C            -4.77072             2.35185            12.03185
     C            -5.28302             1.22074            12.73058
     C            -5.48215            -0.00031            12.02632
     C            -5.28905            -1.22089            12.73210
     C            -4.79051            -2.36218            12.03643
     C            -4.17308            -3.43454            12.73357
     C            -3.39426            -4.39876            12.03512
     C            -2.37735            -5.11293            12.73884
     C            -1.18523            -5.45986            12.03139
     C             0.05325            -5.56947            12.72950
     C             1.29000            -5.35950            12.03822
     C             2.44705            -4.88183            12.72701
     C             3.54913            -4.27806            12.03702
     C             4.50023            -3.46313            12.73241
     C             5.24057            -2.44401            12.04530
     C             5.69971            -1.27826            12.74614
     C             5.77996            -0.01929            14.90425
     C             5.59582             1.22291            14.18366
     C             5.09462             2.38975            14.86067
     C             4.38773             3.39649            14.15343
     C             3.43009             4.18966            14.85726
     C             2.37883             4.83527            14.14386
     C             1.24997             5.36412            14.84858
     C             0.02613             5.59245            14.14406
     C            -1.20689             5.45016            14.86052
     C            -2.38343             5.07251            14.15458
     C            -3.37956             4.32051            14.85678
     C            -4.20690             3.41402            14.14346
     C            -4.90607             2.38261            14.84793
     C            -5.32849             1.21993            14.14535
     C            -5.49516            -0.00176            14.85851
     C            -5.32609            -1.22526            14.14708
     C            -4.90699            -2.39156            14.84743
     C            -4.21696            -3.43080            14.14633
     C            -3.38693            -4.33778            14.85939
     C            -2.38520            -5.08413            14.15918
     C            -1.20291            -5.44563            14.86270
     C             0.03028            -5.58701            14.14927
     C             1.25646            -5.36787            14.85010
     C             2.39504            -4.85670            14.14247
     C             3.45351            -4.21645            14.85282
     C             4.44569            -3.44470            14.15537
     C             5.15124            -2.42522            14.86611
     C             5.63956            -1.25762            14.18700
     C             5.67711            -0.00472            16.34072
     C             5.45455             1.24577            16.92975
     C             4.93045             2.37438            16.27350
     C             4.27848             3.41198            16.98100
     C             3.41198             4.27848            16.27350
     C             2.37438             4.93045            16.98100
     C             1.21772             5.33518            16.27350
     C             0.00000             5.47239            16.98100
     C            -1.21772             5.33518            16.27350
     C            -2.37438             4.93045            16.98100
     C            -3.41198             4.27848            16.27350
     C            -4.27848             3.41198            16.98100
     C            -4.93045             2.37438            16.27350
     C            -5.33518             1.21772            16.98100
     C            -5.47239             0.00000            16.27350
     C            -5.33518            -1.21772            16.98100
     C            -4.93045            -2.37438            16.27350
     C            -4.27848            -3.41198            16.98100
     C            -3.41198            -4.27848            16.27350
     C            -2.37438            -4.93045            16.98100
     C            -1.21772            -5.33518            16.27350
     C             0.00000            -5.47239            16.98100
     C             1.21772            -5.33518            16.27350
     C             2.37438            -4.93045            16.98100
     C             3.41198            -4.27848            16.27350
     C             4.27848            -3.41198            16.98100
     C             4.93045            -2.37438            16.27350
     C             5.33518            -1.21772            16.98100
     C             7.77143             0.32694            10.56482
     C             7.77795             0.36973            11.87729
     C             9.00371             0.07699             9.89104
     H             8.93816             0.05959             8.83920
     C            10.18393            -0.12013            10.56298
     H            11.12691            -0.29261            10.04697
     C            10.13050            -0.11333            11.99129
     H            11.02290            -0.28661            12.57917
     C             8.97440             0.09384            12.63729
     H             8.83546             0.08523            13.68972
          178
 Energy:   -1208.493421481754    
     C             5.47239             0.00000             6.36850
     C             5.33518             1.21772             5.66100
     C             4.93045             2.37438             6.36850
     C             4.27848             3.41198             5.66100
     C             3.41198             4.27848             6.36850
     C             2.37438             4.93045             5.66100
     C             1.21772             5.33518             6.36850
     C             0.00000             5.47239             5.66100
     C            -1.21772             5.33518             6.36850
     C            -2.37438             4.93045             5.66100
     C            -3.41198             4.27848             6.36850
     C            -4.27848             3.41198             5.66100
     C            -4.93045             2.37438             6.36850
     C            -5.33518             1.21772             5.66100
     C            -5.47239             0.00000             6.36850
     C            -5.33518            -1.21772             5.66100
     C            -4.93045            -2.37438             6.36850
     C            -4.27848            -3.41198             5.66100
     C            -3.41198            -4.27848             6.36850
     C            -2.37438            -4.93045             5.66100
     C            -1.21772            -5.33518             6.36850
     C             0.00000            -5.47239             5.66100
     C             1.21772            -5.33518             6.36850
     C             2.37438            -4.93045             5.66100
     C             3.41198            -4.27848             6.36850
     C             4.27848            -3.41198             5.66100
     C             4.93045            -2.37438             6.36850
     C             5.33518            -1.21772             5.66100
     C             5.53390            -0.00340             7.78460
     C             5.44665             1.21272             8.50087
     C             5.01056             2.36844             7.78983
     C             4.41531             3.45031             8.48983
     C             3.46341             4.25778             7.78449
     C             2.40753             4.86635             8.49512
     C             1.25378             5.31736             7.78886
     C             0.03993             5.52849             8.49266
     C            -1.19507             5.37380             7.78936
     C            -2.37932             5.02679             8.49426
     C            -3.41840             4.34283             7.78849
     C            -4.26644             3.44616             8.49515
     C            -4.92664             2.39604             7.78901
     C            -5.30852             1.22165             8.49484
     C            -5.44802            -0.00128             7.78576
     C            -5.31224            -1.22514             8.49396
     C            -4.92550            -2.39886             7.78885
     C            -4.26563            -3.45235             8.49437
     C            -3.41867            -4.35285             7.78766
     C            -2.37794            -5.02796             8.49418
     C            -1.19572            -5.37829             7.78766
     C             0.03608            -5.54021             8.48960
     C             1.25427            -5.32627             7.78906
     C             2.40860            -4.87004             8.49948
     C             3.47066            -4.26063             7.79066
     C             4.42161            -3.45770             8.49349
     C             5.01481            -2.38062             7.78927
     C             5.45471            -1.22507             8.49692
     C             5.90408            -0.00748            10.60933
     C             5.65341             1.23121             9.91420
     C             5.20806             2.40401            10.62464
     C             4.51217             3.45501             9.90874
     C             3.56544             4.26458            10.61537
     C             2.44685             4.83661             9.91470
     C             1.27967             5.26127            10.61489
     C             0.05877             5.51231             9.91367
     C            -1.18294             5.43293            10.61746
     C            -2.37395             5.08252             9.91021
     C            -3.42900             4.42399            10.61074
     C            -4.23253             3.46751             9.91222
     C            -4.84846             2.39637            10.61174
     C            -5.27309             1.22757             9.91461
     C            -5.40776            -0.00432            10.61456
     C            -5.27567            -1.23294             9.91246
     C            -4.86109            -2.40276            10.61283
     C            -4.23896            -3.47019             9.91262
     C            -3.43087            -4.41493            10.61156
     C            -2.37965            -5.07478             9.91083
     C            -1.18856            -5.42749            10.61361
     C             0.05290            -5.52648             9.91146
     C             1.27678            -5.28427            10.61773
     C             2.43825            -4.84159             9.92103
     C             3.56036            -4.27883            10.61620
     C             4.50314            -3.46561             9.91293
     C             5.21192            -2.41709            10.61615
     C             5.66519            -1.24807             9.90508
     C             5.94224            -0.01246            12.06022
     C             5.72216             1.23536            12.76615
     C             5.20988             2.39148            12.04198
     C             4.47812             3.41068            12.74338
     C             3.54482             4.23313            12.03887
     C             2.42653             4.80291            12.73031
     C             1.27411             5.26478            12.03422
     C             0.05620             5.51409            12.73665
     C            -1.18335             5.43258            12.03775
     C            -2.37657             5.08824            12.73828
     C            -3.42646             4.43047            12.03366
     C            -4.20415             3.45714            12.73235
     C            -4.82884             2.38801            12.02840
     C            -5.25984             1.22419            12.72757
     C            -5.40734            -0.00306            12.02871
     C            -5.27416            -1.23132            12.72773
     C            -4.84836            -2.39680            12.03073
     C            -4.22018            -3.46349            12.73277
     C            -3.42652            -4.42050            12.03171
     C            -2.37592            -5.07528            12.73753
     C            -1.18077            -5.42176            12.03601
     C             0.06170            -5.51300            12.73570
     C             1.28524            -5.27920            12.03759
     C             2.44398            -4.82502            12.72630
     C             3.56059            -4.25952            12.03787
     C             4.51455            -3.45035            12.74564
     C             5.23753            -2.42178            12.03986
     C             5.75597            -1.26987            12.77194
     C             5.79540            -0.02308            14.92086
     C             5.64530             1.23021            14.20697
     C             5.11710             2.39905            14.87597
     C             4.44187             3.41973            14.16196
     C             3.44216             4.17453            14.86103
     C             2.37822             4.76483            14.14776
     C             1.24611             5.27623            14.85519
     C             0.03574             5.52548            14.15425
     C            -1.19913             5.40421            14.85784
     C            -2.38796             5.05756            14.15696
     C            -3.41142             4.34779            14.85835
     C            -4.22786             3.42886            14.14930
     C            -4.89949             2.38975            14.85326
     C            -5.29561             1.22267            14.14435
     C            -5.44231             0.00089            14.85257
     C            -5.30831            -1.22244            14.14341
     C            -4.91409            -2.39573            14.84924
     C            -4.24155            -3.44520            14.15085
     C            -3.41638            -4.35445            14.86125
     C            -2.38696            -5.05096            14.15658
     C            -1.19314            -5.39024            14.85435
     C             0.04264            -5.51739            14.15314
     C             1.25456            -5.28085            14.85540
     C             2.39680            -4.79399            14.14336
     C             3.47076            -4.20767            14.85548
     C             4.50180            -3.46643            14.17036
     C             5.17104            -2.43387            14.89101
     C             5.68066            -1.27352            14.20397
     C             5.70598            -0.02038            16.35221
     C             5.43619             1.23310            16.92344
     C             4.93045             2.37438            16.27350
     C             4.27848             3.41198            16.98100
     C             3.41198             4.27848            16.27350
     C             2.37438             4.93045            16.98100
     C             1.21772             5.33518            16.27350
     C             0.00000             5.47239            16.98100
     C            -1.21772             5.33518            16.27350
     C            -2.37438             4.93045            16.98100
     C            -3.41198             4.27848            16.27350
     C            -4.27848             3.41198            16.98100
     C            -4.93045             2.37438            16.27350
     C            -5.33518             1.21772            16.98100
     C            -5.47239             0.00000            16.27350
     C            -5.33518            -1.21772            16.98100
     C            -4.93045            -2.37438            16.27350
     C            -4.27848            -3.41198            16.98100
     C            -3.41198            -4.27848            16.27350
     C            -2.37438            -4.93045            16.98100
     C            -1.21772            -5.33518            16.27350
     C             0.00000            -5.47239            16.98100
     C             1.21772            -5.33518            16.27350
     C             2.37438            -4.93045            16.98100
     C             3.41198            -4.27848            16.27350
     C             4.27848            -3.41198            16.98100
     C             4.93045            -2.37438            16.27350
     C             5.33518            -1.21772            16.98100
     C             7.93028             0.35735            10.49969
     C             7.89152             0.42281            11.96348
     C             9.12779             0.08974             9.83642
     H             9.19292             0.05325             8.75313
     C            10.29149            -0.14045            10.59378
     H            11.21603            -0.33851            10.05016
     C            10.29425            -0.14129            11.93505
     H            11.23930            -0.35353            12.45256
     C             9.06574             0.13058            12.66698
     H             9.10763             0.09210            13.76350
          178
 Energy:   -1208.418103105011    
     C             5.47239             0.00000             6.36850
     C             5.33518             1.21772             5.66100
     C             4.93045             2.37438             6.36850
     C             4.27848             3.41198             5.66100
     C             3.41198             4.27848             6.36850
     C             2.37438             4.93045             5.66100
     C             1.21772             5.33518             6.36850
     C             0.00000             5.47239             5.66100
     C            -1.21772             5.33518             6.36850
     C            -2.37438             4.93045             5.66100
     C            -3.41198             4.27848             6.36850
     C            -4.27848             3.41198             5.66100
     C            -4.93045             2.37438             6.36850
     C            -5.33518             1.21772             5.66100
     C            -5.47239             0.00000             6.36850
     C            -5.33518            -1.21772             5.66100
     C            -4.93045            -2.37438             6.36850
     C            -4.27848            -3.41198             5.66100
     C            -3.41198            -4.27848             6.36850
     C            -2.37438            -4.93045             5.66100
     C            -1.21772            -5.33518             6.36850
     C             0.00000            -5.47239             5.66100
     C             1.21772            -5.33518             6.36850
     C             2.37438            -4.93045             5.66100
     C             3.41198            -4.27848             6.36850
     C             4.27848            -3.41198             5.66100
     C             4.93045            -2.37438             6.36850
     C             5.33518            -1.21772             5.66100
     C             5.52050            -0.00847             7.79278
     C             5.49719             1.22460             8.50036
     C             5.02765             2.36268             7.78142
     C             4.43809             3.43778             8.49385
     C             3.47929             4.23785             7.78727
     C             2.41137             4.84750             8.50288
     C             1.25665             5.28603             7.78424
     C             0.03703             5.46748             8.49480
     C            -1.19690             5.36258             7.78692
     C            -2.38243             5.00163             8.49110
     C            -3.42878             4.34569             7.77719
     C            -4.27929             3.46244             8.49048
     C            -4.92099             2.39830             7.78785
     C            -5.30014             1.22102             8.49232
     C            -5.42914            -0.01259             7.78705
     C            -5.29088            -1.23815             8.49676
     C            -4.91327            -2.39791             7.78056
     C            -4.28741            -3.45237             8.49150
     C            -3.44382            -4.34635             7.78378
     C            -2.38215            -5.00535             8.48701
     C            -1.19697            -5.36560             7.78106
     C             0.03132            -5.47855             8.49439
     C             1.25224            -5.29108             7.78941
     C             2.40798            -4.85461             8.50945
     C             3.47806            -4.25533             7.78753
     C             4.44692            -3.45530             8.49080
     C             5.03676            -2.37473             7.78094
     C             5.50602            -1.23866             8.50018
     C             5.97911            -0.00453            10.61375
     C             5.68477             1.23694             9.91288
     C             5.22133             2.38782            10.61974
     C             4.50155             3.42649             9.92237
     C             3.56346             4.25510            10.61781
     C             2.44967             4.81874             9.91849
     C             1.26877             5.19395            10.61871
     C             0.05898             5.44506             9.91093
     C            -1.17782             5.39545            10.61845
     C            -2.37581             5.04585             9.91326
     C            -3.45498             4.42297            10.61131
     C            -4.28528             3.49499             9.90804
     C            -4.91200             2.42345            10.61102
     C            -5.26760             1.23310             9.90687
     C            -5.33953            -0.00447            10.60997
     C            -5.26621            -1.24357             9.90960
     C            -4.91801            -2.42907            10.61190
     C            -4.29354            -3.49065             9.90440
     C            -3.46296            -4.41877            10.60909
     C            -2.38072            -5.04254             9.91089
     C            -1.18546            -5.39598            10.61691
     C             0.04922            -5.45871             9.90942
     C             1.26447            -5.20770            10.61092
     C             2.45082            -4.82613             9.92384
     C             3.57276            -4.26216            10.62164
     C             4.50895            -3.43268             9.91911
     C             5.23136            -2.39935            10.62230
     C             5.70369            -1.24878             9.91546
     C             6.04297            -0.01091            12.05747
     C             5.74808             1.22835            12.77702
     C             5.22799             2.36345            12.06416
     C             4.48837             3.39660            12.74090
     C             3.54404             4.21324            12.03560
     C             2.42203             4.74976            12.73431
     C             1.26344             5.18297            12.03383
     C             0.05415             5.44378            12.74478
     C            -1.18485             5.40069            12.04008
     C            -2.38117             5.05027            12.74053
     C            -3.45103             4.42401            12.02918
     C            -4.27615             3.49300            12.73143
     C            -4.89581             2.42557            12.02556
     C            -5.23376             1.23337            12.72824
     C            -5.32768            -0.00462            12.02702
     C            -5.25635            -1.24379            12.72767
     C            -4.91383            -2.43246            12.02164
     C            -4.29179            -3.49492            12.73224
     C            -3.45199            -4.41372            12.02985
     C            -2.37139            -5.03153            12.73406
     C            -1.18146            -5.39552            12.03447
     C             0.05779            -5.44059            12.73612
     C             1.27009            -5.20013            12.02550
     C             2.43424            -4.77589            12.73383
     C             3.56331            -4.23109            12.04398
     C             4.52271            -3.43025            12.74861
     C             5.24683            -2.38752            12.06157
     C             5.77408            -1.25725            12.77018
     C             5.81726            -0.02806            14.91131
     C             5.69294             1.23466            14.21221
     C             5.11923             2.38359            14.86749
     C             4.45907             3.42741            14.16220
     C             3.47317             4.20481            14.85654
     C             2.37245             4.74063            14.14344
     C             1.23930             5.19640            14.86406
     C             0.03598             5.43158            14.15839
     C            -1.20048             5.36848            14.86039
     C            -2.38800             5.02820            14.15848
     C            -3.43604             4.36517            14.86261
     C            -4.26468             3.46046            14.14923
     C            -4.89060             2.39633            14.86034
     C            -5.25695             1.22994            14.14386
     C            -5.40631            -0.00016            14.85105
     C            -5.28113            -1.23487            14.14428
     C            -4.91402            -2.39983            14.86259
     C            -4.28847            -3.46037            14.14959
     C            -3.43998            -4.35680            14.85779
     C            -2.38050            -5.00281            14.15141
     C            -1.19651            -5.35007            14.85829
     C             0.04144            -5.42143            14.15152
     C             1.25110            -5.20262            14.85934
     C             2.40217            -4.76574            14.14571
     C             3.50551            -4.23727            14.86047
     C             4.50470            -3.47149            14.17353
     C             5.15972            -2.42113            14.87427
     C             5.72341            -1.28111            14.21093
     C             5.69626            -0.00534            16.34789
     C             5.42383             1.23670            16.94279
     C             4.93045             2.37438            16.27350
     C             4.27848             3.41198            16.98100
     C             3.41198             4.27848            16.27350
     C             2.37438             4.93045            16.98100
     C             1.21772             5.33518            16.27350
     C             0.00000             5.47239            16.98100
     C            -1.21772             5.33518            16.27350
     C            -2.37438             4.93045            16.98100
     C            -3.41198             4.27848            16.27350
     C            -4.27848             3.41198            16.98100
     C            -4.93045             2.37438            16.27350
     C            -5.33518             1.21772            16.98100
     C            -5.47239             0.00000            16.27350
     C            -5.33518            -1.21772            16.98100
     C            -4.93045            -2.37438            16.27350
     C            -4.27848            -3.41198            16.98100
     C            -3.41198            -4.27848            16.27350
     C            -2.37438            -4.93045            16.98100
     C            -1.21772            -5.33518            16.27350
     C             0.00000            -5.47239            16.98100
     C             1.21772            -5.33518            16.27350
     C             2.37438            -4.93045            16.98100
     C             3.41198            -4.27848            16.27350
     C             4.27848            -3.41198            16.98100
     C             4.93045            -2.37438            16.27350
     C             5.33518            -1.21772            16.98100
     C             8.08192             0.40062            10.55799
     C             8.04872             0.45591            11.91881
     C             9.27039             0.09879             9.75869
     H             9.33452             0.07753             8.63735
     C            10.38165            -0.16189            10.53006
     H            11.33715            -0.38572            10.03349
     C            10.36535            -0.14724            11.98652
     H            11.30025            -0.38264            12.53681
     C             9.25155             0.14985            12.70083
     H             9.25401             0.14482            13.82706
          178
 Energy:   -1208.188747413061    
     C             5.47239             0.00000             6.36850
     C             5.33518             1.21772             5.66100
     C             4.93045             2.37438             6.36850
     C             4.27848             3.41198             5.66100
     C             3.41198             4.27848             6.36850
     C             2.37438             4.93045             5.66100
     C             1.21772             5.33518             6.36850
     C             0.00000             5.47239             5.66100
     C            -1.21772             5.33518             6.36850
     C            -2.37438             4.93045             5.66100
     C            -3.41198             4.27848             6.36850
     C            -4.27848             3.41198             5.66100
     C            -4.93045             2.37438             6.36850
     C            -5.33518             1.21772             5.66100
     C            -5.47239             0.00000             6.36850
     C            -5.33518            -1.21772             5.66100
     C            -4.93045            -2.37438             6.36850
     C            -4.27848            -3.41198             5.66100
     C            -3.41198            -4.27848             6.36850
     C            -2.37438            -4.93045             5.66100
     C            -1.21772            -5.33518             6.36850
     C             0.00000            -5.47239             5.66100
     C             1.21772            -5.33518             6.36850
     C             2.37438            -4.93045             5.66100
     C             3.41198            -4.27848             6.36850
     C             4.27848            -3.41198             5.66100
     C             4.93045            -2.37438             6.36850
     C             5.33518            -1.21772             5.66100
     C             5.56739            -0.00535             7.78586
     C             5.54570             1.23122             8.48541
     C             5.06765             2.38018             7.78076
     C             4.42272             3.41430             8.50486
     C             3.49407             4.24947             7.79349
     C             2.42192             4.83635             8.50614
     C             1.25473             5.26692             7.79416
     C             0.02807             5.39511             8.49775
     C            -1.20341             5.35581             7.78402
     C            -2.37679             4.98831             8.49068
     C            -3.42549             4.33677             7.78538
     C            -4.31253             3.47566             8.48710
     C            -4.91769             2.39670             7.78224
     C            -5.28453             1.22371             8.49139
     C            -5.42914            -0.00415             7.79192
     C            -5.27425            -1.22948             8.49340
     C            -4.91147            -2.39949             7.78224
     C            -4.31334            -3.47873             8.48629
     C            -3.43174            -4.33526             7.77956
     C            -2.39306            -4.98656             8.48734
     C            -1.21321            -5.35693             7.78837
     C             0.02390            -5.40283             8.49781
     C             1.25061            -5.26831             7.79250
     C             2.42085            -4.84672             8.50244
     C             3.49622            -4.26510             7.79141
     C             4.43152            -3.43558             8.49767
     C             5.07670            -2.39677             7.77916
     C             5.55844            -1.24644             8.49111
     C             6.00616            -0.00302            10.61816
     C             5.70143             1.22390             9.91549
     C             5.23087             2.37860            10.64254
     C             4.47893             3.39053             9.92620
     C             3.54712             4.21626            10.62325
     C             2.44931             4.80975             9.92452
     C             1.26132             5.14721            10.62186
     C             0.04481             5.36747             9.91684
     C            -1.19610             5.35251            10.61653
     C            -2.38052             5.00127             9.90800
     C            -3.46912             4.40234            10.61151
     C            -4.34759             3.52349             9.90384
     C            -4.96412             2.44599            10.60416
     C            -5.25743             1.23319             9.90994
     C            -5.28883            -0.00326            10.60865
     C            -5.25594            -1.23806             9.91101
     C            -4.96819            -2.45006            10.60672
     C            -4.35108            -3.52494             9.90346
     C            -3.47496            -4.40503            10.60687
     C            -2.38673            -5.00420             9.90387
     C            -1.20059            -5.36094            10.61152
     C             0.04305            -5.37618             9.91618
     C             1.26373            -5.14938            10.61537
     C             2.46088            -4.81758             9.92364
     C             3.56256            -4.22015            10.62709
     C             4.49934            -3.40211             9.92210
     C             5.24905            -2.39327            10.64576
     C             5.71345            -1.23675             9.92079
     C             6.05325            -0.00701            12.07020
     C             5.78749             1.21733            12.76609
     C             5.24154             2.35711            12.05919
     C             4.49192             3.37797            12.73688
     C             3.53993             4.17818            12.03887
     C             2.41167             4.70862            12.72958
     C             1.24925             5.11145            12.03339
     C             0.04150             5.35301            12.73657
     C            -1.19550             5.36286            12.03362
     C            -2.38863             5.01519            12.73384
     C            -3.46765             4.39942            12.03396
     C            -4.35521             3.53214            12.73299
     C            -4.95912             2.45005            12.02610
     C            -5.20930             1.23201            12.72670
     C            -5.26420            -0.00349            12.02499
     C            -5.23728            -1.24090            12.72830
     C            -4.97621            -2.45635            12.02817
     C            -4.36675            -3.53341            12.73249
     C            -3.47028            -4.39247            12.02931
     C            -2.38056            -4.98757            12.72877
     C            -1.19480            -5.35845            12.02972
     C             0.04362            -5.35112            12.73035
     C             1.25668            -5.12407            12.02901
     C             2.42715            -4.73369            12.72777
     C             3.55772            -4.19397            12.04461
     C             4.51900            -3.40447            12.74413
     C             5.25438            -2.38161            12.06335
     C             5.79988            -1.24290            12.76273
     C             5.85457            -0.01142            14.92182
     C             5.70393             1.22321            14.19596
     C             5.11173             2.37254            14.86487
     C             4.44617             3.40780            14.15088
     C             3.50648             4.24795            14.85601
     C             2.39004             4.74568            14.14485
     C             1.22646             5.15933            14.86359
     C             0.01549             5.33240            14.15209
     C            -1.20952             5.33385            14.86097
     C            -2.39149             4.99879            14.15357
     C            -3.44400             4.36122            14.85993
     C            -4.32209             3.50168            14.14906
     C            -4.89213             2.40372            14.85299
     C            -5.22215             1.21698            14.14556
     C            -5.39196            -0.00294            14.85190
     C            -5.25492            -1.22613            14.14729
     C            -4.92000            -2.40703            14.85651
     C            -4.34217            -3.49508            14.14917
     C            -3.44483            -4.33737            14.85559
     C            -2.37976            -4.95776            14.14826
     C            -1.20227            -5.31240            14.85714
     C             0.02329            -5.31949            14.14584
     C             1.23659            -5.16674            14.86088
     C             2.41045            -4.77137            14.14656
     C             3.52941            -4.27758            14.86129
     C             4.47675            -3.44631            14.15566
     C             5.13846            -2.40406            14.86915
     C             5.73311            -1.25868            14.19104
     C             5.65366            -0.00206            16.34504
     C             5.42171             1.24709            16.95803
     C             4.93045             2.37438            16.27350
     C             4.27848             3.41198            16.98100
     C             3.41198             4.27848            16.27350
     C             2.37438             4.93045            16.98100
     C             1.21772             5.33518            16.27350
     C             0.00000             5.47239            16.98100
     C            -1.21772             5.33518            16.27350
     C            -2.37438             4.93045            16.98100
     C            -3.41198             4.27848            16.27350
     C            -4.27848             3.41198            16.98100
     C            -4.93045             2.37438            16.27350
     C            -5.33518             1.21772            16.98100
     C            -5.47239             0.00000            16.27350
     C            -5.33518            -1.21772            16.98100
     C            -4.93045            -2.37438            16.27350
     C            -4.27848            -3.41198            16.98100
     C            -3.41198            -4.27848            16.27350
     C            -2.37438            -4.93045            16.98100
     C            -1.21772            -5.33518            16.27350
     C             0.00000            -5.47239            16.98100
     C             1.21772            -5.33518            16.27350
     C             2.37438            -4.93045            16.98100
     C             3.41198            -4.27848            16.27350
     C             4.27848            -3.41198            16.98100
     C             4.93045            -2.37438            16.27350
     C             5.33518            -1.21772            16.98100
     C             8.26297             0.43987            10.52296
     C             8.27019             0.46861            11.93142
     C             9.35346             0.12388             9.78474
     H             9.23891             0.15110             8.65886
     C            10.51562            -0.19282            10.55196
     H            11.45961            -0.45272            10.04223
     C            10.48467            -0.16464            11.92733
     H            11.42403            -0.43534            12.45341
     C             9.34123             0.19248            12.69840
     H             9.21332             0.26288            13.81852
          178
 Energy:   -1208.151740597401    
     C             5.47239             0.00000             6.36850
     C             5.33518             1.21772             5.66100
     C             4.93045             2.37438             6.36850
     C             4.27848             3.41198             5.66100
     C             3.41198             4.27848             6.36850
     C             2.37438             4.93045             5.66100
     C             1.21772             5.33518             6.36850
     C             0.00000             5.47239             5.66100
     C            -1.21772             5.33518             6.36850
     C            -2.37438             4.93045             5.66100
     C            -3.41198             4.27848             6.36850
     C            -4.27848             3.41198             5.66100
     C            -4.93045             2.37438             6.36850
     C            -5.33518             1.21772             5.66100
     C            -5.47239             0.00000             6.36850
     C            -5.33518            -1.21772             5.66100
     C            -4.93045            -2.37438             6.36850
     C            -4.27848            -3.41198             5.66100
     C            -3.41198            -4.27848             6.36850
     C            -2.37438            -4.93045             5.66100
     C            -1.21772            -5.33518             6.36850
     C             0.00000            -5.47239             5.66100
     C             1.21772            -5.33518             6.36850
     C             2.37438            -4.93045             5.66100
     C             3.41198            -4.27848             6.36850
     C             4.27848            -3.41198             5.66100
     C             4.93045            -2.37438             6.36850
     C             5.33518            -1.21772             5.66100
     C             5.66348            -0.00689             7.77422
     C             5.58621             1.23226             8.49105
     C             5.10316             2.39325             7.78500
     C             4.39762             3.39873             8.50618
     C             3.49746             4.26156             7.78905
     C             2.42235             4.85302             8.50978
     C             1.25106             5.24845             7.79474
     C             0.02472             5.34307             8.50639
     C            -1.20144             5.33271             7.78953
     C            -2.38580             4.97449             8.49302
     C            -3.42929             4.32080             7.78441
     C            -4.34768             3.49283             8.48506
     C            -4.92853             2.39920             7.78338
     C            -5.27243             1.22638             8.49919
     C            -5.43370             0.00853             7.78353
     C            -5.26910            -1.21398             8.49538
     C            -4.92953            -2.40089             7.78813
     C            -4.34562            -3.50538             8.48316
     C            -3.42522            -4.32361             7.77796
     C            -2.39293            -4.97812             8.49454
     C            -1.21276            -5.33427             7.79112
     C             0.01917            -5.34215             8.50235
     C             1.24866            -5.24971             7.79187
     C             2.43274            -4.86246             8.50403
     C             3.50824            -4.26688             7.78549
     C             4.41420            -3.41315             8.50901
     C             5.11369            -2.40546             7.78523
     C             5.59618            -1.24590             8.48644
     C             5.96853            -0.00585            10.61884
     C             5.71576             1.22766             9.91216
     C             5.22730             2.35995            10.62229
     C             4.45804             3.34896             9.92840
     C             3.52309             4.15964            10.62818
     C             2.44700             4.78817             9.92508
     C             1.24633             5.11532            10.61948
     C             0.02399             5.29514             9.91831
     C            -1.21269             5.29580            10.61280
     C            -2.39828             4.96299             9.90683
     C            -3.48174             4.37093            10.60883
     C            -4.40011             3.53993             9.90190
     C            -5.00705             2.45866            10.60933
     C            -5.24239             1.23771             9.91293
     C            -5.26596             0.00071            10.61461
     C            -5.24041            -1.23602             9.91066
     C            -5.01131            -2.46232            10.60846
     C            -4.40043            -3.54935             9.90167
     C            -3.48228            -4.37953            10.60982
     C            -2.40468            -4.97467             9.90586
     C            -1.21334            -5.30715            10.60728
     C             0.03283            -5.29518             9.91770
     C             1.26043            -5.11108            10.62185
     C             2.45867            -4.79198             9.91845
     C             3.53489            -4.17291            10.62265
     C             4.47988            -3.37488             9.92771
     C             5.24819            -2.38390            10.62251
     C             5.72053            -1.24042             9.91267
     C             6.00616            -0.00934            12.04375
     C             5.80482             1.24264            12.76146
     C             5.26149             2.36359            12.05698
     C             4.48233             3.35090            12.73961
     C             3.52249             4.13361            12.03809
     C             2.41054             4.68492            12.73663
     C             1.23209             5.05511            12.03100
     C             0.01217             5.25255            12.72862
     C            -1.21703             5.30209            12.02471
     C            -2.40614             4.98197            12.73129
     C            -3.48649             4.38324            12.02555
     C            -4.42202             3.56106            12.73277
     C            -5.00569             2.45836            12.02844
     C            -5.18973             1.22744            12.72551
     C            -5.23312            -0.00287            12.02473
     C            -5.21798            -1.23200            12.72771
     C            -5.02415            -2.46271            12.03036
     C            -4.42965            -3.56358            12.73157
     C            -3.49128            -4.37695            12.02235
     C            -2.40213            -4.94977            12.73153
     C            -1.21769            -5.29419            12.02274
     C             0.01860            -5.25104            12.72666
     C             1.24472            -5.05711            12.03448
     C             2.42804            -4.70474            12.73473
     C             3.53519            -4.15300            12.03157
     C             4.49343            -3.37746            12.73974
     C             5.27730            -2.38443            12.05897
     C             5.81133            -1.25394            12.76611
     C             5.86097            -0.00545            14.92788
     C             5.68921             1.23382            14.19548
     C             5.09614             2.35851            14.86414
     C             4.42874             3.38639            14.15510
     C             3.52052             4.25478            14.85587
     C             2.40647             4.77780            14.14458
     C             1.22875             5.16494            14.85046
     C             0.00378             5.25787            14.13933
     C            -1.22024             5.28959            14.85335
     C            -2.40557             4.97485            14.14350
     C            -3.45608             4.34595            14.85828
     C            -4.38523             3.52866            14.15673
     C            -4.92019             2.40245            14.85469
     C            -5.20314             1.21312            14.14005
     C            -5.38457            -0.00061            14.85869
     C            -5.24023            -1.21976            14.14041
     C            -4.94726            -2.40995            14.85224
     C            -4.39009            -3.52734            14.15554
     C            -3.44430            -4.31834            14.86222
     C            -2.39205            -4.92589            14.14327
     C            -1.21253            -5.26160            14.85255
     C             0.01146            -5.24697            14.13986
     C             1.23354            -5.17203            14.85229
     C             2.41360            -4.80446            14.13909
     C             3.52574            -4.27761            14.85080
     C             4.44878            -3.40920            14.16048
     C             5.11810            -2.36960            14.86680
     C             5.70662            -1.23899            14.20518
     C             5.62607             0.00414            16.35493
     C             5.42356             1.24743            16.95432
     C             4.93045             2.37438            16.27350
     C             4.27848             3.41198            16.98100
     C             3.41198             4.27848            16.27350
     C             2.37438             4.93045            16.98100
     C             1.21772             5.33518            16.27350
     C             0.00000             5.47239            16.98100
     C            -1.21772             5.33518            16.27350
     C            -2.37438             4.93045            16.98100
     C            -3.41198             4.27848            16.27350
     C            -4.27848             3.41198            16.98100
     C            -4.93045             2.37438            16.27350
     C            -5.33518             1.21772            16.98100
     C            -5.47239             0.00000            16.27350
     C            -5.33518            -1.21772            16.98100
     C            -4.93045            -2.37438            16.27350
     C            -4.27848            -3.41198            16.98100
     C            -3.41198            -4.27848            16.27350
     C            -2.37438            -4.93045            16.98100
     C            -1.21772            -5.33518            16.27350
     C             0.00000            -5.47239            16.98100
     C             1.21772            -5.33518            16.27350
     C             2.37438            -4.93045            16.98100
     C             3.41198            -4.27848            16.27350
     C             4.27848            -3.41198            16.98100
     C             4.93045            -2.37438            16.27350
     C             5.33518            -1.21772            16.98100
     C             8.33369             0.51092            10.55195
     C             8.33558             0.52613            11.88152
     C             9.53433             0.12262             9.81361
     H             9.54621             0.09873             8.68696
     C            10.61978            -0.21473            10.52149
     H            11.52627            -0.52884             9.99045
     C            10.63042            -0.18346            11.94589
     H            11.54770            -0.47585            12.47994
     C             9.54271             0.19641            12.66403
     H             9.54732             0.27416            13.78067
          178
 Energy:   -1207.999558011715    
     C             5.47239             0.00000             6.36850
     C             5.33518             1.21772             5.66100
     C             4.93045             2.37438             6.36850
     C             4.27848             3.41198             5.66100
     C             3.41198             4.27848             6.36850
     C             2.37438             4.93045             5.66100
     C             1.21772             5.33518             6.36850
     C             0.00000             5.47239             5.66100
     C            -1.21772             5.33518             6.36850
     C            -2.37438             4.93045             5.66100
     C            -3.41198             4.27848             6.36850
     C            -4.27848             3.41198             5.66100
     C            -4.93045             2.37438             6.36850
     C            -5.33518             1.21772             5.66100
     C            -5.47239             0.00000             6.36850
     C            -5.33518            -1.21772             5.66100
     C            -4.93045            -2.37438             6.36850
     C            -4.27848            -3.41198             5.66100
     C            -3.41198            -4.27848             6.36850
     C            -2.37438            -4.93045             5.66100
     C            -1.21772            -5.33518             6.36850
     C             0.00000            -5.47239             5.66100
     C             1.21772            -5.33518             6.36850
     C             2.37438            -4.93045             5.66100
     C             3.41198            -4.27848             6.36850
     C             4.27848            -3.41198             5.66100
     C             4.93045            -2.37438             6.36850
     C             5.33518            -1.21772             5.66100
     C             5.74194            -0.00235             7.77170
     C             5.63527             1.23727             8.47538
     C             5.09722             2.37949             7.77800
     C             4.40013             3.39060             8.49710
     C             3.48613             4.25397             7.79228
     C             2.42836             4.87256             8.50601
     C             1.24429             5.24208             7.78877
     C             0.02262             5.31802             8.50148
     C            -1.20825             5.29177             7.79141
     C            -2.40132             4.94944             8.48793
     C            -3.45100             4.31928             7.77561
     C            -4.37531             3.50511             8.48348
     C            -4.95547             2.41096             7.78575
     C            -5.27510             1.22886             8.49977
     C            -5.42726             0.00715             7.79270
     C            -5.27584            -1.21799             8.49562
     C            -4.96044            -2.40400             7.78472
     C            -4.38286            -3.50326             8.48276
     C            -3.44944            -4.32502             7.78433
     C            -2.39307            -4.96402             8.48937
     C            -1.19836            -5.29685             7.78618
     C             0.02783            -5.30748             8.50217
     C             1.25189            -5.24147             7.79209
     C             2.43773            -4.87722             8.50240
     C             3.49729            -4.25668             7.79227
     C             4.42188            -3.40249             8.49562
     C             5.10928            -2.38553             7.77571
     C             5.64005            -1.24555             8.47341
     C             5.89339            -0.01173            10.60020
     C             5.71996             1.22069             9.89807
     C             5.21881             2.35466            10.61577
     C             4.42439             3.32213             9.91104
     C             3.48682             4.10889            10.62516
     C             2.42720             4.75854             9.92378
     C             1.23468             5.07483            10.62079
     C             0.01531             5.24771             9.91596
     C            -1.22418             5.22343            10.60979
     C            -2.42051             4.93624             9.90357
     C            -3.50842             4.35126            10.60577
     C            -4.43140             3.53491             9.90275
     C            -5.03666             2.45996            10.61511
     C            -5.23847             1.23579             9.91779
     C            -5.26416             0.00160            10.61176
     C            -5.23566            -1.23077             9.91401
     C            -5.04001            -2.46258            10.60609
     C            -4.43467            -3.54260             9.90153
     C            -3.51043            -4.36100            10.60771
     C            -2.41709            -4.95701             9.90901
     C            -1.21443            -5.22901            10.61438
     C             0.02309            -5.23897             9.91703
     C             1.24155            -5.07101            10.61875
     C             2.43153            -4.76333             9.91737
     C             3.50015            -4.13495            10.61674
     C             4.44888            -3.35178             9.91387
     C             5.24079            -2.37955            10.61467
     C             5.72241            -1.24030             9.89096
     C             5.94220            -0.00358            12.05424
     C             5.78387             1.23805            12.76670
     C             5.27294             2.38039            12.03333
     C             4.46057             3.32893            12.74625
     C             3.49043             4.08641            12.03975
     C             2.40524             4.68688            12.73387
     C             1.21921             5.01032            12.03129
     C            -0.00671             5.16486            12.72256
     C            -1.23788             5.21251            12.02199
     C            -2.44149             4.94957            12.72600
     C            -3.53166             4.37497            12.02260
     C            -4.46253             3.56756            12.73565
     C            -5.02656             2.46171            12.03617
     C            -5.18573             1.23085            12.72833
     C            -5.23499             0.00035            12.02530
     C            -5.21015            -1.23533            12.72444
     C            -5.04441            -2.46632            12.02922
     C            -4.47251            -3.56513            12.73602
     C            -3.53227            -4.36908            12.02878
     C            -2.42938            -4.92219            12.72996
     C            -1.23027            -5.19987            12.02522
     C             0.00052            -5.15803            12.72342
     C             1.22562            -5.00706            12.02937
     C             2.41509            -4.70211            12.73144
     C             3.50113            -4.10966            12.03232
     C             4.47096            -3.34262            12.74223
     C             5.29039            -2.39525            12.03820
     C             5.78681            -1.24573            12.77556
     C             5.80719             0.00581            14.92728
     C             5.68285             1.23896            14.20299
     C             5.07064             2.35914            14.87639
     C             4.41344             3.38045            14.15936
     C             3.49172             4.23323            14.85881
     C             2.41937             4.81194            14.14337
     C             1.23816             5.20215            14.85252
     C             0.00707             5.22339            14.14015
     C            -1.22137             5.24294            14.85145
     C            -2.42697             4.94599            14.14636
     C            -3.49103             4.33893            14.86129
     C            -4.43129             3.53103            14.16039
     C            -4.96416             2.41267            14.86029
     C            -5.21555             1.21913            14.14289
     C            -5.37198             0.00061            14.84741
     C            -5.24664            -1.22400            14.14299
     C            -4.98436            -2.41988            14.85930
     C            -4.42813            -3.52776            14.16091
     C            -3.47440            -4.31485            14.86164
     C            -2.40525            -4.90371            14.14697
     C            -1.21446            -5.21224            14.85716
     C             0.00808            -5.21762            14.14116
     C             1.24171            -5.20829            14.85064
     C             2.42690            -4.82909            14.14210
     C             3.49382            -4.23644            14.86005
     C             4.42010            -3.38073            14.15854
     C             5.08081            -2.35731            14.87934
     C             5.67796            -1.23344            14.20624
     C             5.64556             0.00476            16.34920
     C             5.42150             1.25476            16.95489
     C             4.93045             2.37438            16.27350
     C             4.27848             3.41198            16.98100
     C             3.41198             4.27848            16.27350
     C             2.37438             4.93045            16.98100
     C             1.21772             5.33518            16.27350
     C             0.00000             5.47239            16.98100
     C            -1.21772             5.33518            16.27350
     C            -2.37438             4.93045            16.98100
     C            -3.41198             4.27848            16.27350
     C            -4.27848             3.41198            16.98100
     C            -4.93045             2.37438            16.27350
     C            -5.33518             1.21772            16.98100
     C            -5.47239             0.00000            16.27350
     C            -5.33518            -1.21772            16.98100
     C            -4.93045            -2.37438            16.27350
     C            -4.27848            -3.41198            16.98100
     C            -3.41198            -4.27848            16.27350
     C            -2.37438            -4.93045            16.98100
     C            -1.21772            -5.33518            16.27350
     C             0.00000            -5.47239            16.98100
     C             1.21772            -5.33518            16.27350
     C             2.37438            -4.93045            16.98100
     C             3.41198            -4.27848            16.27350
     C             4.27848            -3.41198            16.98100
     C             4.93045            -2.37438            16.27350
     C             5.33518            -1.21772            16.98100
     C             8.45881             0.56115            10.48579
     C             8.45761             0.57540            11.95597
     C             9.60350             0.15390             9.80217
     H             9.69384             0.10469             8.71184
     C            10.78860            -0.25687            10.57290
     H            11.66007            -0.61273            10.02093
     C            10.82331            -0.21782            11.91676
     H            11.70068            -0.50840            12.48769
     C             9.64951             0.22725            12.60637
     H             9.74746             0.29157            13.68507
          178
 Energy:   -1207.857221928583    
     C             5.47239             0.00000             6.36850
     C             5.33518             1.21772             5.66100
     C             4.93045             2.37438             6.36850
     C             4.27848             3.41198             5.66100
     C             3.41198             4.27848             6.36850
     C             2.37438             4.93045             5.66100
     C             1.21772             5.33518             6.36850
     C             0.00000             5.47239             5.66100
     C            -1.21772             5.33518             6.36850
     C            -2.37438             4.93045             5.66100
     C            -3.41198             4.27848             6.36850
     C            -4.27848             3.41198             5.66100
     C            -4.93045             2.37438             6.36850
     C            -5.33518             1.21772             5.66100
     C            -5.47239             0.00000             6.36850
     C            -5.33518            -1.21772             5.66100
     C            -4.93045            -2.37438             6.36850
     C            -4.27848            -3.41198             5.66100
     C            -3.41198            -4.27848             6.36850
     C            -2.37438            -4.93045             5.66100
     C            -1.21772            -5.33518             6.36850
     C             0.00000            -5.47239             5.66100
     C             1.21772            -5.33518             6.36850
     C             2.37438            -4.93045             5.66100
     C             3.41198            -4.27848             6.36850
     C             4.27848            -3.41198             5.66100
     C             4.93045            -2.37438             6.36850
     C             5.33518            -1.21772             5.66100
     C             5.76495             0.00098             7.74643
     C             5.67604             1.24714             8.44915
     C             5.07273             2.35867             7.76907
     C             4.39986             3.38177             8.48065
     C             3.48246             4.23860             7.78677
     C             2.42224             4.86254             8.50609
     C             1.24818             5.25838             7.79246
     C             0.00804             5.30872             8.49455
     C            -1.22082             5.25444             7.78222
     C            -2.40967             4.92058             8.48515
     C            -3.48688             4.33340             7.77979
     C            -4.40273             3.50463             8.48207
     C            -4.98984             2.41714             7.78001
     C            -5.29325             1.23059             8.49984
     C            -5.41709            -0.00087             7.79174
     C            -5.29530            -1.22870             8.49919
     C            -4.99118            -2.41014             7.77675
     C            -4.40665            -3.49750             8.48022
     C            -3.48774            -4.33666             7.78358
     C            -2.40348            -4.93695             8.48837
     C            -1.20166            -5.25601             7.78832
     C             0.02854            -5.29605             8.49969
     C             1.25888            -5.25478             7.78830
     C             2.42889            -4.85994             8.50690
     C             3.48902            -4.24553             7.78636
     C             4.41973            -3.39821             8.47513
     C             5.08125            -2.36420             7.76562
     C             5.67701            -1.24711             8.44665
     C             5.83929            -0.01098            10.62506
     C             5.69512             1.22316             9.88528
     C             5.21246             2.36336            10.60123
     C             4.40334             3.30855             9.90062
     C             3.44371             4.07032            10.61630
     C             2.40142             4.73115             9.91345
     C             1.21263             5.02737            10.62178
     C             0.00606             5.22403             9.90912
     C            -1.23068             5.14566            10.60732
     C            -2.43759             4.90865             9.89744
     C            -3.54727             4.36342            10.60795
     C            -4.44407             3.51760             9.89750
     C            -5.04486             2.44633            10.61504
     C            -5.26104             1.23098             9.91407
     C            -5.27876             0.00040            10.61560
     C            -5.25853            -1.22842             9.91049
     C            -5.04920            -2.44389            10.60928
     C            -4.44734            -3.52015             9.89631
     C            -3.54812            -4.37286            10.60760
     C            -2.43051            -4.92658             9.90528
     C            -1.22020            -5.13940            10.61801
     C             0.00479            -5.21092             9.90894
     C             1.21065            -5.02277            10.61668
     C             2.40557            -4.74127             9.91430
     C             3.46695            -4.09997            10.61715
     C             4.43008            -3.33572             9.89597
     C             5.23338            -2.38619            10.60340
     C             5.70409            -1.24424             9.88800
     C             5.87590            -0.00371            12.04870
     C             5.72705             1.23523            12.76629
     C             5.25623             2.37429            12.04626
     C             4.44014             3.32317            12.73929
     C             3.45320             4.05419            12.02859
     C             2.39825             4.69911            12.73368
     C             1.20238             4.97980            12.02770
     C            -0.01467             5.10942            12.73728
     C            -1.24803             5.10579            12.02593
     C            -2.47035             4.91534            12.73432
     C            -3.58621             4.38540            12.02703
     C            -4.48347             3.55053            12.74599
     C            -5.03411             2.45176            12.03365
     C            -5.21335             1.22999            12.73479
     C            -5.25795            -0.00017            12.02947
     C            -5.23163            -1.23392            12.72866
     C            -5.04852            -2.45478            12.02555
     C            -4.48917            -3.54752            12.74391
     C            -3.57824            -4.37955            12.03040
     C            -2.45193            -4.89352            12.73827
     C            -1.23396            -5.08923            12.03222
     C            -0.00651            -5.09552            12.74208
     C             1.20174            -4.97718            12.02130
     C             2.40221            -4.70840            12.73224
     C             3.47223            -4.07290            12.03182
     C             4.44770            -3.32580            12.73770
     C             5.27156            -2.38202            12.04441
     C             5.72662            -1.23613            12.76162
     C             5.74704            -0.00030            14.91443
     C             5.65239             1.24725            14.19887
     C             5.06922             2.36697            14.86804
     C             4.38403             3.37909            14.15616
     C             3.45834             4.21230            14.85906
     C             2.40713             4.83406            14.13994
     C             1.24254             5.24561            14.84944
     C             0.00588             5.22541            14.14648
     C            -1.22692             5.20947            14.85482
     C            -2.43628             4.91516            14.15014
     C            -3.52621             4.34884            14.86541
     C            -4.45217             3.53000            14.16172
     C            -5.00817             2.42493            14.86056
     C            -5.25655             1.22582            14.14819
     C            -5.37158            -0.00359            14.85631
     C            -5.27236            -1.23149            14.14297
     C            -5.01714            -2.42181            14.86405
     C            -4.45304            -3.51752            14.16068
     C            -3.51573            -4.33126            14.86087
     C            -2.41801            -4.88576            14.15189
     C            -1.21309            -5.18918            14.85867
     C             0.01446            -5.21980            14.14633
     C             1.24763            -5.25134            14.84881
     C             2.41825            -4.83204            14.14304
     C             3.46168            -4.19566            14.85973
     C             4.37511            -3.36231            14.15256
     C             5.06019            -2.35552            14.86768
     C             5.63276            -1.23369            14.19547
     C             5.66908             0.00370            16.35697
     C             5.43181             1.24513            16.96107
     C             4.93045             2.37438            16.27350
     C             4.27848             3.41198            16.98100
     C             3.41198             4.27848            16.27350
     C             2.37438             4.93045            16.98100
     C             1.21772             5.33518            16.27350
     C             0.00000             5.47239            16.98100
     C            -1.21772             5.33518            16.27350
     C            -2.37438             4.93045            16.98100
     C            -3.41198             4.27848            16.27350
     C            -4.27848             3.41198            16.98100
     C            -4.93045             2.37438            16.27350
     C            -5.33518             1.21772            16.98100
     C            -5.47239             0.00000            16.27350
     C            -5.33518            -1.21772            16.98100
     C            -4.93045            -2.37438            16.27350
     C            -4.27848            -3.41198            16.98100
     C            -3.41198            -4.27848            16.27350
     C            -2.37438            -4.93045            16.98100
     C            -1.21772            -5.33518            16.27350
     C             0.00000            -5.47239            16.98100
     C             1.21772            -5.33518            16.27350
     C             2.37438            -4.93045            16.98100
     C             3.41198            -4.27848            16.27350
     C             4.27848            -3.41198            16.98100
     C             4.93045            -2.37438            16.27350
     C             5.33518            -1.21772            16.98100
     C             8.59916             0.60414            10.56507
     C             8.62782             0.61459            11.86920
     C             9.78323             0.14386             9.81566
     H             9.65045             0.17459             8.76623
     C            10.87065            -0.27343            10.49579
     H            11.73974            -0.64945             9.96395
     C            10.91615            -0.21502            11.94781
     H            11.80652            -0.51670            12.47052
     C             9.81171             0.23913            12.60915
     H             9.72910             0.35175            13.65752
          178
 Energy:   -1207.971337792593    
     C             5.47239             0.00000             6.36850
     C             5.33518             1.21772             5.66100
     C             4.93045             2.37438             6.36850
     C             4.27848             3.41198             5.66100
     C             3.41198             4.27848             6.36850
     C             2.37438             4.93045             5.66100
     C             1.21772             5.33518             6.36850
     C             0.00000             5.47239             5.66100
     C            -1.21772             5.33518             6.36850
     C            -2.37438             4.93045             5.66100
     C            -3.41198             4.27848             6.36850
     C            -4.27848             3.41198             5.66100
     C            -4.93045             2.37438             6.36850
     C            -5.33518             1.21772             5.66100
     C            -5.47239             0.00000             6.36850
     C            -5.33518            -1.21772             5.66100
     C            -4.93045            -2.37438             6.36850
     C            -4.27848            -3.41198             5.66100
     C            -3.41198            -4.27848             6.36850
     C            -2.37438            -4.93045             5.66100
     C            -1.21772            -5.33518             6.36850
     C             0.00000            -5.47239             5.66100
     C             1.21772            -5.33518             6.36850
     C             2.37438            -4.93045             5.66100
     C             3.41198            -4.27848             6.36850
     C             4.27848            -3.41198             5.66100
     C             4.93045            -2.37438             6.36850
     C             5.33518            -1.21772             5.66100
     C             5.75587            -0.00121             7.75138
     C             5.66389             1.23794             8.45524
     C             5.07215             2.36075             7.77181
     C             4.37324             3.36677             8.48574
     C             3.47376             4.23714             7.78289
     C             2.40298             4.82664             8.49768
     C             1.23924             5.28114             7.79425
     C             0.00032             5.31257             8.49256
     C            -1.22677             5.23966             7.78365
     C            -2.41987             4.90017             8.48950
     C            -3.51461             4.34202             7.77577
     C            -4.43172             3.50079             8.47814
     C            -5.01514             2.40949             7.77948
     C            -5.32577             1.22077             8.48907
     C            -5.42326            -0.00130             7.78214
     C            -5.32692            -1.22591             8.48945
     C            -5.00905            -2.41513             7.78158
     C            -4.41846            -3.50545             8.47642
     C            -3.50679            -4.34508             7.77289
     C            -2.42237            -4.90515             8.49300
     C            -1.22465            -5.23319             7.78653
     C             0.00736            -5.30450             8.49113
     C             1.24786            -5.27255             7.79458
     C             2.40947            -4.82499             8.49970
     C             3.48276            -4.24425             7.78030
     C             4.38915            -3.38469             8.48276
     C             5.07464            -2.36528             7.77370
     C             5.66457            -1.24179             8.45835
     C             5.81356            -0.00142            10.60243
     C             5.67028             1.22029             9.88731
     C             5.20249             2.36803            10.61025
     C             4.39922             3.31651             9.89651
     C             3.41775             4.04401            10.60230
     C             2.37214             4.69719             9.90892
     C             1.18215             4.99593            10.61145
     C            -0.02417             5.20060             9.90280
     C            -1.23906             5.07493            10.61831
     C            -2.44560             4.87671             9.90770
     C            -3.58978             4.39252            10.60768
     C            -4.45075             3.50808             9.89943
     C            -5.03232             2.42463            10.61118
     C            -5.30331             1.22182             9.90708
     C            -5.32010             0.00002            10.62148
     C            -5.30462            -1.22193             9.90818
     C            -5.03419            -2.42760            10.61147
     C            -4.44599            -3.50847             9.89836
     C            -3.58921            -4.39397            10.60715
     C            -2.44918            -4.87836             9.91001
     C            -1.23945            -5.05828            10.62041
     C            -0.02066            -5.18574             9.90411
     C             1.18806            -4.98736            10.61465
     C             2.38921            -4.70707             9.91572
     C             3.44663            -4.07013            10.60687
     C             4.42265            -3.34460             9.89507
     C             5.22043            -2.38996            10.60393
     C             5.68700            -1.23070             9.88782
     C             5.81079             0.00368            12.04578
     C             5.66081             1.22271            12.76252
     C             5.19910             2.36875            12.03035
     C             4.40729             3.33393            12.73045
     C             3.42701             4.05627            12.01421
     C             2.38274             4.69855            12.72596
     C             1.18124             4.96581            12.02836
     C            -0.03144             5.08842            12.74782
     C            -1.24961             5.01346            12.03169
     C            -2.46776             4.87321            12.73802
     C            -3.61801             4.41102            12.03461
     C            -4.49533             3.53162            12.74063
     C            -5.03870             2.42418            12.02985
     C            -5.27439             1.21996            12.74016
     C            -5.30094            -0.00137            12.03336
     C            -5.28292            -1.22322            12.73822
     C            -5.04545            -2.42668            12.03069
     C            -4.48919            -3.53066            12.73518
     C            -3.60606            -4.40251            12.03137
     C            -2.45818            -4.85310            12.73997
     C            -1.23919            -4.99221            12.03648
     C            -0.01917            -5.07166            12.75118
     C             1.19250            -4.96049            12.03122
     C             2.39180            -4.69717            12.72629
     C             3.44480            -4.07114            12.01814
     C             4.41097            -3.32698            12.73372
     C             5.20567            -2.37462            12.02678
     C             5.65353            -1.22183            12.75742
     C             5.72378            -0.00209            14.91131
     C             5.59230             1.22910            14.18612
     C             5.07166             2.38671            14.86595
     C             4.35445             3.37031            14.14262
     C             3.44067             4.21589            14.85298
     C             2.38962             4.83617            14.13770
     C             1.22638             5.27275            14.84755
     C            -0.01343             5.25087            14.15428
     C            -1.23733             5.20686            14.85930
     C            -2.43527             4.89563            14.15416
     C            -3.53035             4.35957            14.86980
     C            -4.46485             3.53193            14.16895
     C            -5.03346             2.42378            14.86556
     C            -5.31357             1.22264            14.15590
     C            -5.40470            -0.00204            14.86017
     C            -5.31353            -1.22116            14.15118
     C            -5.02912            -2.41706            14.86167
     C            -4.46312            -3.52456            14.16460
     C            -3.52942            -4.34877            14.87093
     C            -2.42726            -4.88066            14.15635
     C            -1.22617            -5.20234            14.85661
     C             0.00449            -5.24164            14.15812
     C             1.24354            -5.27079            14.85121
     C             2.38863            -4.82190            14.13572
     C             3.43039            -4.19671            14.85337
     C             4.33836            -3.34297            14.14331
     C             5.05159            -2.36036            14.86490
     C             5.56994            -1.22155            14.17313
     C             5.66082            -0.00454            16.34582
     C             5.45031             1.25256            16.95426
     C             4.93045             2.37438            16.27350
     C             4.27848             3.41198            16.98100
     C             3.41198             4.27848            16.27350
     C             2.37438             4.93045            16.98100
     C             1.21772             5.33518            16.27350
     C             0.00000             5.47239            16.98100
     C            -1.21772             5.33518            16.27350
     C            -2.37438             4.93045            16.98100
     C            -3.41198             4.27848            16.27350
     C            -4.27848             3.41198            16.98100
     C            -4.93045             2.37438            16.27350
     C            -5.33518             1.21772            16.98100
     C            -5.47239             0.00000            16.27350
     C            -5.33518            -1.21772            16.98100
     C            -4.93045            -2.37438            16.27350
     C            -4.27848            -3.41198            16.98100
     C            -3.41198            -4.27848            16.27350
     C            -2.37438            -4.93045            16.98100
     C            -1.21772            -5.33518            16.27350
     C             0.00000            -5.47239            16.98100
     C             1.21772            -5.33518            16.27350
     C             2.37438            -4.93045            16.98100
     C             3.41198            -4.27848            16.27350
     C             4.27848            -3.41198            16.98100
     C             4.93045            -2.37438            16.27350
     C             5.33518            -1.21772            16.98100
     C             8.79889             0.62099            10.49462
     C             8.83102             0.65214            11.92317
     C             9.85335             0.16739             9.77954
     H             9.91212             0.12546             8.73060
     C            10.99057            -0.29396            10.52429
     H            11.84027            -0.68196             9.97037
     C            10.99616            -0.21332            11.87028
     H            11.87894            -0.52785            12.38762
     C             9.91932             0.26866            12.67299
     H             9.97975             0.30924            13.72817
          178
 Energy:   -1208.006680330759    
     C             5.47239             0.00000             6.36850
     C             5.33518             1.21772             5.66100
     C             4.93045             2.37438             6.36850
     C             4.27848             3.41198             5.66100
     C             3.41198             4.27848             6.36850
     C             2.37438             4.93045             5.66100
     C             1.21772             5.33518             6.36850
     C             0.00000             5.47239             5.66100
     C            -1.21772             5.33518             6.36850
     C            -2.37438             4.93045             5.66100
     C            -3.41198             4.27848             6.36850
     C            -4.27848             3.41198             5.66100
     C            -4.93045             2.37438             6.36850
     C            -5.33518             1.21772             5.66100
     C            -5.47239             0.00000             6.36850
     C            -5.33518            -1.21772             5.66100
     C            -4.93045            -2.37438             6.36850
     C            -4.27848            -3.41198             5.66100
     C            -3.41198            -4.27848             6.36850
     C            -2.37438            -4.93045             5.66100
     C            -1.21772            -5.33518             6.36850
     C             0.00000            -5.47239             5.66100
     C             1.21772            -5.33518             6.36850
     C             2.37438            -4.93045             5.66100
     C             3.41198            -4.27848             6.36850
     C             4.27848            -3.41198             5.66100
     C             4.93045            -2.37438             6.36850
     C             5.33518            -1.21772             5.66100
     C             5.71550            -0.00522             7.77644
     C             5.59689             1.23477             8.47964
     C             5.08241             2.37344             7.78053
     C             4.35234             3.36026             8.49037
     C             3.45425             4.22661             7.78835
     C             2.36404             4.80345             8.49294
     C             1.22410             5.27761             7.79068
     C            -0.01277             5.32732             8.50110
     C            -1.23988             5.25212             7.79060
     C            -2.42935             4.89418             8.49995
     C            -3.51716             4.33085             7.77946
     C            -4.44817             3.50253             8.47933
     C            -5.02263             2.40165             7.77944
     C            -5.36603             1.21846             8.48678
     C            -5.46249            -0.00496             7.77727
     C            -5.36326            -1.22837             8.48780
     C            -5.01222            -2.41301             7.78097
     C            -4.43211            -3.50778             8.48278
     C            -3.51107            -4.33214             7.77799
     C            -2.42639            -4.88884             8.49621
     C            -1.24939            -5.24512             7.78431
     C            -0.02657            -5.31886             8.50124
     C             1.21798            -5.26932             7.79552
     C             2.37396            -4.80809             8.49830
     C             3.46334            -4.23463             7.78985
     C             4.36502            -3.37329             8.49366
     C             5.08104            -2.37790             7.78254
     C             5.60240            -1.24263             8.47837
     C             5.80748             0.00004            10.60149
     C             5.65494             1.23573             9.89450
     C             5.17419             2.36411            10.60083
     C             4.40025             3.32420             9.90374
     C             3.40842             4.05273            10.60202
     C             2.33323             4.65489             9.89528
     C             1.15904             4.98526            10.61265
     C            -0.05024             5.16626             9.90828
     C            -1.25675             5.01957            10.62875
     C            -2.46043             4.85448             9.91586
     C            -3.61862             4.40870            10.61169
     C            -4.47082             3.51038             9.90082
     C            -5.01854             2.40300            10.60907
     C            -5.34298             1.21790             9.89906
     C            -5.39808            -0.00159            10.61629
     C            -5.34805            -1.22557             9.90265
     C            -5.01750            -2.40977            10.61083
     C            -4.46240            -3.50754             9.90003
     C            -3.61652            -4.39892            10.61276
     C            -2.46225            -4.84113             9.91043
     C            -1.25462            -4.99665            10.62327
     C            -0.03982            -5.14916             9.91126
     C             1.17766            -4.97520            10.61796
     C             2.35396            -4.66413             9.89832
     C             3.43395            -4.07540            10.60545
     C             4.42634            -3.34609             9.90458
     C             5.19524            -2.37111            10.59666
     C             5.66806            -1.23668             9.89488
     C             5.75750             0.00272            12.01629
     C             5.57828             1.22541            12.74613
     C             5.13160             2.36221            12.02913
     C             4.36870             3.33450            12.72083
     C             3.41404             4.09049            12.00685
     C             2.34752             4.69106            12.72053
     C             1.15664             4.96904            12.01897
     C            -0.04223             5.09471            12.74664
     C            -1.25058             4.96773            12.03454
     C            -2.45942             4.82879            12.74069
     C            -3.62660             4.41186            12.03659
     C            -4.50297             3.52903            12.74059
     C            -5.03772             2.40887            12.03095
     C            -5.34663             1.22109            12.74619
     C            -5.38189            -0.00045            12.03179
     C            -5.34157            -1.22135            12.74744
     C            -5.03380            -2.41212            12.03236
     C            -4.49281            -3.52479            12.74160
     C            -3.61988            -4.40029            12.03460
     C            -2.45366            -4.81477            12.74071
     C            -1.24182            -4.94254            12.03197
     C            -0.03057            -5.07824            12.74837
     C             1.17459            -4.95733            12.02417
     C             2.36386            -4.68083            12.72490
     C             3.43153            -4.09559            12.00736
     C             4.36476            -3.32587            12.72443
     C             5.13064            -2.35901            12.02229
     C             5.56649            -1.21686            12.73583
     C             5.70903            -0.00298            14.89764
     C             5.53157             1.22473            14.18152
     C             5.04715             2.38077            14.86135
     C             4.33785             3.37819            14.14036
     C             3.44048             4.23288            14.85173
     C             2.36598             4.82939            14.13130
     C             1.21013             5.26770            14.84783
     C            -0.03007             5.28355            14.14691
     C            -1.25010             5.24254            14.86338
     C            -2.43058             4.89383            14.15077
     C            -3.52512             4.33939            14.86436
     C            -4.47173             3.52483            14.16407
     C            -5.03275             2.41719            14.86339
     C            -5.37420             1.23478            14.15795
     C            -5.47604             0.00678            14.86254
     C            -5.36103            -1.22488            14.16151
     C            -5.01811            -2.41528            14.86023
     C            -4.46107            -3.52816            14.16084
     C            -3.52244            -4.34374            14.86482
     C            -2.43067            -4.89445            14.15101
     C            -1.24876            -5.24783            14.86259
     C            -0.02489            -5.27345            14.14989
     C             1.21307            -5.25652            14.84881
     C             2.36471            -4.81061            14.13160
     C             3.42677            -4.21053            14.85458
     C             4.31486            -3.35263            14.14587
     C             5.02713            -2.35803            14.86758
     C             5.51699            -1.21369            14.17575
     C             5.62789             0.00651            16.33121
     C             5.47389             1.25826            16.92984
     C             4.93045             2.37438            16.27350
     C             4.27848             3.41198            16.98100
     C             3.41198             4.27848            16.27350
     C             2.37438             4.93045            16.98100
     C             1.21772             5.33518            16.27350
     C             0.00000             5.47239            16.98100
     C            -1.21772             5.33518            16.27350
     C            -2.37438             4.93045            16.98100
     C            -3.41198             4.27848            16.27350
     C            -4.27848             3.41198            16.98100
     C            -4.93045             2.37438            16.27350
     C            -5.33518             1.21772            16.98100
     C            -5.47239             0.00000            16.27350
     C            -5.33518            -1.21772            16.98100
     C            -4.93045            -2.37438            16.27350
     C            -4.27848            -3.41198            16.98100
     C            -3.41198            -4.27848            16.27350
     C            -2.37438            -4.93045            16.98100
     C            -1.21772            -5.33518            16.27350
     C             0.00000            -5.47239            16.98100
     C             1.21772            -5.33518            16.27350
     C             2.37438            -4.93045            16.98100
     C             3.41198            -4.27848            16.27350
     C             4.27848            -3.41198            16.98100
     C             4.93045            -2.37438            16.27350
     C             5.33518            -1.21772            16.98100
     C             8.91343             0.67436            10.54787
     C             8.94547             0.72743            11.91359
     C            10.04223             0.13727             9.70097
     H            10.08601             0.09944             8.62013
     C            11.07137            -0.29390            10.47237
     H            11.95218            -0.72318            10.00349
     C            11.10885            -0.21885            11.91337
     H            12.01104            -0.58042            12.39477
     C            10.09124             0.26569            12.67947
     H            10.21484             0.27622            13.75053
          178
 Energy:   -1208.195202643240    
     C             5.47239             0.00000             6.36850
     C             5.33518             1.21772             5.66100
     C             4.93045             2.37438             6.36850
     C             4.27848             3.41198             5.66100
     C             3.41198             4.27848             6.36850
     C             2.37438             4.93045             5.66100
     C             1.21772             5.33518             6.36850
     C             0.00000             5.47239             5.66100
     C            -1.21772             5.33518             6.36850
     C            -2.37438             4.93045             5.66100
     C            -3.41198             4.27848             6.36850
     C            -4.27848             3.41198             5.66100
     C            -4.93045             2.37438             6.36850
     C            -5.33518             1.21772             5.66100
     C            -5.47239             0.00000             6.36850
     C            -5.33518            -1.21772             5.66100
     C            -4.93045            -2.37438             6.36850
     C            -4.27848            -3.41198             5.66100
     C            -3.41198            -4.27848             6.36850
     C            -2.37438            -4.93045             5.66100
     C            -1.21772            -5.33518             6.36850
     C             0.00000            -5.47239             5.66100
     C             1.21772            -5.33518             6.36850
     C             2.37438            -4.93045             5.66100
     C             3.41198            -4.27848             6.36850
     C             4.27848            -3.41198             5.66100
     C             4.93045            -2.37438             6.36850
     C             5.33518            -1.21772             5.66100
     C             5.62415            -0.00057             7.77493
     C             5.53349             1.23274             8.48218
     C             5.05882             2.38096             7.77137
     C             4.35685             3.38033             8.48933
     C             3.42126             4.20658             7.78595
     C             2.33848             4.77932             8.49221
     C             1.18891             5.25329             7.79275
     C            -0.03817             5.33529             8.51045
     C            -1.26020             5.28692             7.79077
     C            -2.43539             4.90272             8.50231
     C            -3.50058             4.30928             7.78375
     C            -4.44650             3.49707             8.48367
     C            -5.02071             2.40368             7.78027
     C            -5.40421             1.22770             8.48428
     C            -5.52686            -0.00845             7.78778
     C            -5.39925            -1.24093             8.48727
     C            -5.01480            -2.40384             7.77850
     C            -4.44452            -3.49163             8.48477
     C            -3.50392            -4.30724             7.78205
     C            -2.43336            -4.89042             8.49873
     C            -1.25798            -5.28624             7.79290
     C            -0.03956            -5.32139             8.51527
     C             1.18030            -5.24888             7.79334
     C             2.33685            -4.79344             8.48981
     C             3.42589            -4.21686             7.78779
     C             4.36726            -3.38768             8.49017
     C             5.06177            -2.38574             7.76843
     C             5.54317            -1.23972             8.47955
     C             5.80715             0.00123            10.60031
     C             5.63661             1.23028             9.90482
     C             5.13214             2.36733            10.61665
     C             4.37259             3.34098             9.89966
     C             3.40364             4.09625            10.60060
     C             2.30434             4.62960             9.89539
     C             1.14668             4.97466            10.61081
     C            -0.06294             5.14011             9.91146
     C            -1.27286             4.99149            10.62386
     C            -2.48378             4.85282             9.91482
     C            -3.63155             4.39000            10.61509
     C            -4.50089             3.51548             9.90577
     C            -5.02490             2.39961            10.61475
     C            -5.37544             1.22118             9.90376
     C            -5.50095            -0.00672            10.60956
     C            -5.38080            -1.23180             9.90322
     C            -5.02551            -2.40038            10.61913
     C            -4.49805            -3.50932             9.90787
     C            -3.61713            -4.37770            10.61443
     C            -2.46597            -4.83069             9.91135
     C            -1.25741            -4.96242            10.62192
     C            -0.05262            -5.11997             9.91244
     C             1.15596            -4.96887            10.60952
     C             2.32247            -4.63956             9.89624
     C             3.43105            -4.10750            10.59870
     C             4.40222            -3.34876             9.90336
     C             5.14622            -2.36643            10.61958
     C             5.64119            -1.22999             9.90121
     C             5.70839             0.00523            12.03008
     C             5.50400             1.20819            12.73981
     C             5.07113             2.35720            12.02171
     C             4.33144             3.34428            12.73238
     C             3.40155             4.13064            12.01680
     C             2.32087             4.69505            12.72606
     C             1.14443             4.98457            12.01663
     C            -0.05311             5.12618            12.73865
     C            -1.26214             4.97395            12.03319
     C            -2.46446             4.80589            12.74130
     C            -3.61798             4.37408            12.03770
     C            -4.51213             3.52469            12.73933
     C            -5.04387             2.41735            12.03151
     C            -5.40965             1.23782            12.73538
     C            -5.50547            -0.00025            12.03146
     C            -5.38985            -1.23306            12.74092
     C            -5.03298            -2.41073            12.03456
     C            -4.50516            -3.51835            12.74545
     C            -3.61109            -4.36744            12.04011
     C            -2.45419            -4.80229            12.73619
     C            -1.25078            -4.94900            12.02782
     C            -0.04842            -5.10731            12.73445
     C             1.15247            -4.96767            12.01741
     C             2.32935            -4.68439            12.73052
     C             3.41534            -4.12812            12.01881
     C             4.33140            -3.32468            12.73432
     C             5.06521            -2.34298            12.02372
     C             5.49138            -1.19692            12.74419
     C             5.66541             0.00054            14.88120
     C             5.49267             1.22883            14.15557
     C             4.98382             2.36975            14.85688
     C             4.33304             3.39793            14.14329
     C             3.43613             4.25540            14.84833
     C             2.34788             4.81417            14.13461
     C             1.19701             5.24330            14.84788
     C            -0.03050             5.31364            14.14007
     C            -1.25891             5.29686            14.84842
     C            -2.44104             4.89534            14.15081
     C            -3.50946             4.30865            14.86219
     C            -4.45693             3.50592            14.15844
     C            -5.02768             2.41307            14.86185
     C            -5.43683             1.24349            14.15789
     C            -5.55887             0.00430            14.85808
     C            -5.41209            -1.23511            14.16348
     C            -5.00872            -2.40812            14.86519
     C            -4.44563            -3.50552            14.16567
     C            -3.50711            -4.32629            14.86197
     C            -2.43935            -4.91525            14.14548
     C            -1.26606            -5.30498            14.84920
     C            -0.04503            -5.30543            14.13378
     C             1.18193            -5.22546            14.84675
     C             2.34272            -4.79853            14.14373
     C             3.42859            -4.23324            14.85611
     C             4.31670            -3.37324            14.14339
     C             4.98296            -2.35592            14.85690
     C             5.48403            -1.22155            14.15383
     C             5.60265            -0.00232            16.31898
     C             5.49414             1.26583            16.92015
     C             4.93045             2.37438            16.27350
     C             4.27848             3.41198            16.98100
     C             3.41198             4.27848            16.27350
     C             2.37438             4.93045            16.98100
     C             1.21772             5.33518            16.27350
     C             0.00000             5.47239            16.98100
     C            -1.21772             5.33518            16.27350
     C            -2.37438             4.93045            16.98100
     C            -3.41198             4.27848            16.27350
     C            -4.27848             3.41198            16.98100
     C            -4.93045             2.37438            16.27350
     C            -5.33518             1.21772            16.98100
     C            -5.47239             0.00000            16.27350
     C            -5.33518            -1.21772            16.98100
     C            -4.93045            -2.37438            16.27350
     C            -4.27848            -3.41198            16.98100
     C            -3.41198            -4.27848            16.27350
     C            -2.37438            -4.93045            16.98100
     C            -1.21772            -5.33518            16.27350
     C             0.00000            -5.47239            16.98100
     C             1.21772            -5.33518            16.27350
     C             2.37438            -4.93045            16.98100
     C             3.41198            -4.27848            16.27350
     C             4.27848            -3.41198            16.98100
     C             4.93045            -2.37438            16.27350
     C             5.33518            -1.21772            16.98100
     C             9.09134             0.69716            10.50288
     C             9.09288             0.78939            11.92998
     C            10.09597             0.17402             9.75436
     H             9.97288             0.16627             8.64989
     C            11.24321            -0.32551            10.49955
     H            12.07390            -0.76701             9.93310
     C            11.28378            -0.26054            11.87541
     H            12.16092            -0.64419            12.42342
     C            10.19420             0.29142            12.62687
     H            10.16320             0.35797            13.73070
