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 Energy:   -1204.113782075420    
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          178
 Energy:   -1204.145733416291    
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          178
 Energy:   -1205.021151084330    
     C             5.47239             0.00000             6.36850
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     C             0.00002            -5.39444             8.48947
     C             1.20169            -5.26478             7.78820
     C             2.34062            -4.86024             8.48942
     C             3.36697            -4.22202             7.78819
     C             4.21758            -3.36340             8.48943
     C             4.86533            -2.34302             7.78823
     C             5.25927            -1.20041             8.48944
     C             5.44709             0.00001            10.61482
     C             5.31144             1.21230             9.88760
     C             4.90762             2.36345            10.61485
     C             4.25940             3.39675             9.88754
     C             3.39626             4.25873            10.61486
     C             2.36379             4.90839             9.88757
     C             1.21208             5.31054            10.61491
     C             0.00001             5.44783             9.88753
     C            -1.21205             5.31050            10.61491
     C            -2.36377             4.90837             9.88758
     C            -3.39625             4.25872            10.61487
     C            -4.25943             3.39677             9.88755
     C            -4.90763             2.36345            10.61486
     C            -5.31143             1.21230             9.88760
     C            -5.44703             0.00000            10.61482
     C            -5.31140            -1.21229             9.88759
     C            -4.90761            -2.36345            10.61484
     C            -4.25935            -3.39672             9.88753
     C            -3.39622            -4.25871            10.61485
     C            -2.36375            -4.90838             9.88757
     C            -1.21205            -5.31056            10.61490
     C             0.00001            -5.44791             9.88752
     C             1.21207            -5.31056            10.61491
     C             2.36378            -4.90838             9.88758
     C             3.39622            -4.25867            10.61487
     C             4.25937            -3.39671             9.88754
     C             4.90762            -2.36342            10.61485
     C             5.31143            -1.21228             9.88759
     C             5.44711             0.00001            12.02718
     C             5.31145             1.21230            12.75441
     C             4.90761             2.36343            12.02715
     C             4.25939             3.39672            12.75447
     C             3.39626             4.25872            12.02715
     C             2.36381             4.90840            12.75444
     C             1.21209             5.31055            12.02710
     C             0.00003             5.44785            12.75448
     C            -1.21204             5.31050            12.02710
     C            -2.36374             4.90833            12.75444
     C            -3.39622             4.25869            12.02715
     C            -4.25936             3.39670            12.75447
     C            -4.90759             2.36341            12.02716
     C            -5.31139             1.21226            12.75441
     C            -5.44704            -0.00003            12.02718
     C            -5.31146            -1.21234            12.75440
     C            -4.90767            -2.36349            12.02715
     C            -4.25946            -3.39680            12.75446
     C            -3.39627            -4.25874            12.02714
     C            -2.36379            -4.90838            12.75443
     C            -1.21207            -5.31053            12.02710
     C            -0.00001            -5.44782            12.75448
     C             1.21205            -5.31051            12.02710
     C             2.36375            -4.90832            12.75444
     C             3.39621            -4.25865            12.02714
     C             4.25938            -3.39670            12.75447
     C             4.90764            -2.36342            12.02715
     C             5.31148            -1.21229            12.75441
     C             5.40014             0.00000            14.85374
     C             5.25929             1.20041            14.15257
     C             4.86534             2.34302            14.85377
     C             4.21759             3.36340            14.15257
     C             3.36698             4.22201            14.85381
     C             2.34063             4.86023            14.15259
     C             1.20170             5.26476            14.85380
     C             0.00002             5.39439            14.15254
     C            -1.20166             5.26474            14.85381
     C            -2.34058             4.86019            14.15259
     C            -3.36694             4.22199            14.85381
     C            -4.21756             3.36338            14.15258
     C            -4.86532             2.34300            14.85377
     C            -5.25926             1.20039            14.15256
     C            -5.40013            -0.00002            14.85374
     C            -5.25932            -1.20045            14.15256
     C            -4.86539            -2.34306            14.85377
     C            -4.21766            -3.36346            14.15257
     C            -3.36700            -4.22204            14.85381
     C            -2.34063            -4.86022            14.15258
     C            -1.20169            -5.26473            14.85381
     C            -0.00002            -5.39434            14.15254
     C             1.20166            -5.26470            14.85381
     C             2.34058            -4.86016            14.15259
     C             3.36695            -4.22199            14.85381
     C             4.21758            -3.36339            14.15257
     C             4.86535            -2.34302            14.85377
     C             5.25931            -1.20042            14.15257
     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            -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            10.67657             0.53724            10.98692
     C            10.67716            -0.53585            11.65789
     C            11.86032             1.26225            10.91142
     H            12.01860             2.26572            10.57246
     C            13.24019             0.71989            11.05009
     H            14.11543             1.46526            11.44968
     C            13.23822            -0.71875            11.59425
     H            14.11643            -1.46432            11.20328
     C            11.86128            -1.26482            11.72377
     H            12.01566            -2.26639            12.05971
          178
 Energy:   -1207.095263492745    
     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             5.50015             0.00001             7.78260
     C             5.31935             1.21410             8.50028
     C             4.95553             2.38643             7.78256
     C             4.26581             3.40184             8.50024
     C             3.42937             4.30029             7.78263
     C             2.36731             4.91581             8.50027
     C             1.22390             5.36232             7.78263
     C             0.00001             5.45605             8.50022
     C            -1.22389             5.36232             7.78263
     C            -2.36730             4.91580             8.50027
     C            -3.42938             4.30030             7.78264
     C            -4.26583             3.40187             8.50024
     C            -4.95556             2.38645             7.78257
     C            -5.31937             1.21412             8.50029
     C            -5.50015             0.00002             7.78260
     C            -5.31932            -1.21408             8.50028
     C            -4.95549            -2.38640             7.78256
     C            -4.26575            -3.40180             8.50023
     C            -3.42933            -4.30027             7.78263
     C            -2.36728            -4.91580             8.50027
     C            -1.22388            -5.36234             7.78262
     C             0.00001            -5.45612             8.50022
     C             1.22391            -5.36235             7.78262
     C             2.36731            -4.91582             8.50027
     C             3.42936            -4.30029             7.78264
     C             4.26579            -3.40182             8.50024
     C             4.95552            -2.38642             7.78257
     C             5.31935            -1.21409             8.50028
     C             5.52274             0.00001            10.60988
     C             5.35148             1.22146             9.92259
     C             4.97582             2.39620            10.60986
     C             4.29150             3.42238             9.92260
     C             3.44342             4.31790            10.60983
     C             2.38159             4.94538             9.92259
     C             1.22899             5.38428            10.60980
     C             0.00001             5.48892             9.92263
     C            -1.22895             5.38424            10.60980
     C            -2.38157             4.94536             9.92260
     C            -3.44340             4.31789            10.60984
     C            -4.29153             3.42240             9.92260
     C            -4.97584             2.39621            10.60987
     C            -5.35148             1.22146             9.92260
     C            -5.52269             0.00000            10.60988
     C            -5.35145            -1.22145             9.92259
     C            -4.97581            -2.39621            10.60985
     C            -4.29146            -3.42235             9.92259
     C            -3.44339            -4.31789            10.60982
     C            -2.38156            -4.94538             9.92259
     C            -1.22897            -5.38430            10.60980
     C             0.00001            -5.48899             9.92263
     C             1.22898            -5.38430            10.60980
     C             2.38158            -4.94538             9.92259
     C             3.44339            -4.31786            10.60983
     C             4.29149            -3.42235             9.92259
     C             4.97583            -2.39618            10.60986
     C             5.35148            -1.22144             9.92260
     C             5.52276             0.00001            12.03211
     C             5.35150             1.22146            12.71940
     C             4.97582             2.39620            12.03213
     C             4.29150             3.42237            12.71940
     C             3.44342             4.31791            12.03216
     C             2.38160             4.94540            12.71940
     C             1.22900             5.38430            12.03220
     C             0.00002             5.48893            12.71937
     C            -1.22894             5.38424            12.03220
     C            -2.38154             4.94533            12.71941
     C            -3.44338             4.31786            12.03217
     C            -4.29146             3.42233            12.71940
     C            -4.97580             2.39617            12.03214
     C            -5.35146             1.22142            12.71940
     C            -5.52271            -0.00003            12.03211
     C            -5.35152            -1.22149            12.71939
     C            -4.97587            -2.39625            12.03212
     C            -4.29156            -3.42243            12.71939
     C            -3.44343            -4.31793            12.03216
     C            -2.38159            -4.94539            12.71940
     C            -1.22898            -5.38428            12.03220
     C            -0.00001            -5.48891            12.71937
     C             1.22896            -5.38425            12.03220
     C             2.38155            -4.94531            12.71941
     C             3.44338            -4.31784            12.03217
     C             4.29149            -3.42234            12.71940
     C             4.97584            -2.39618            12.03213
     C             5.35153            -1.22145            12.71940
     C             5.50019             0.00000            14.85940
     C             5.31937             1.21409            14.14171
     C             4.95554             2.38642            14.85944
     C             4.26580             3.40183            14.14176
     C             3.42938             4.30029            14.85937
     C             2.36732             4.91582            14.14173
     C             1.22391             5.36234            14.85938
     C             0.00002             5.45607            14.14178
     C            -1.22388             5.36232            14.85938
     C            -2.36727             4.91577            14.14173
     C            -3.42934             4.30026            14.85937
     C            -4.26576             3.40180            14.14176
     C            -4.95551             2.38640            14.85944
     C            -5.31934             1.21407            14.14171
     C            -5.50017            -0.00002            14.85940
     C            -5.31940            -1.21413            14.14171
     C            -4.95558            -2.38646            14.85943
     C            -4.26586            -3.40188            14.14176
     C            -3.42940            -4.30031            14.85937
     C            -2.36733            -4.91581            14.14172
     C            -1.22391            -5.36230            14.85938
     C            -0.00001            -5.45602            14.14177
     C             1.22389            -5.36228            14.85938
     C             2.36728            -4.91575            14.14173
     C             3.42936            -4.30026            14.85937
     C             4.26580            -3.40181            14.14176
     C             4.95555            -2.38642            14.85944
     C             5.31940            -1.21410            14.14171
     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            -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            10.07844             0.66595            10.94557
     C            10.08073            -0.66356            11.69936
     C            11.37027             1.33097            10.60149
     H            11.12437             2.37929            10.28598
     C            12.55250             0.66717            11.14345
     H            13.49510             1.31441            10.82374
     C            12.55404            -0.66783            11.50027
     H            13.49906            -1.30519            11.83341
     C            11.36980            -1.33349            12.03407
     H            11.12384            -2.37941            12.34261
          178
 Energy:   -1206.778372808693    
     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             5.56523             0.00001             7.79147
     C             5.42813             1.23893             8.50187
     C             5.01415             2.41467             7.79153
     C             4.35307             3.47143             8.50192
     C             3.46989             4.35113             7.79149
     C             2.41575             5.01636             8.50190
     C             1.23839             5.42569             7.79148
     C             0.00001             5.56773             8.50196
     C            -1.23838             5.42569             7.79148
     C            -2.41574             5.01636             8.50190
     C            -3.46989             4.35113             7.79149
     C            -4.35309             3.47144             8.50192
     C            -5.01416             2.41468             7.79153
     C            -5.42814             1.23894             8.50188
     C            -5.56523             0.00001             7.79147
     C            -5.42809            -1.23891             8.50187
     C            -5.01411            -2.41465             7.79154
     C            -4.35301            -3.47139             8.50192
     C            -3.46985            -4.35111             7.79149
     C            -2.41573            -5.01636             8.50190
     C            -1.23837            -5.42572             7.79148
     C             0.00001            -5.56779             8.50196
     C             1.23839            -5.42573             7.79148
     C             2.41575            -5.01638             8.50190
     C             3.46988            -4.35113             7.79149
     C             4.35305            -3.47141             8.50192
     C             5.01414            -2.41466             7.79153
     C             5.42812            -1.23891             8.50187
     C             5.58698             0.00001            10.62099
     C             5.40520             1.23367             9.92058
     C             5.03369             2.42408            10.62101
     C             4.33468             3.45672             9.92061
     C             3.48343             4.36806            10.62102
     C             2.40557             4.99515             9.92057
     C             1.24321             5.44681            10.62107
     C             0.00001             5.54416             9.92060
     C            -1.24318             5.44677            10.62108
     C            -2.40554             4.99512             9.92058
     C            -3.48341             4.36804            10.62103
     C            -4.33470             3.45674             9.92062
     C            -5.03370             2.42408            10.62101
     C            -5.40520             1.23367             9.92058
     C            -5.58695             0.00000            10.62099
     C            -5.40517            -1.23366             9.92058
     C            -5.03368            -2.42408            10.62101
     C            -4.33465            -3.45671             9.92061
     C            -3.48341            -4.36806            10.62102
     C            -2.40554            -4.99515             9.92058
     C            -1.24320            -5.44683            10.62107
     C             0.00000            -5.54422             9.92061
     C             1.24320            -5.44682            10.62107
     C             2.40555            -4.99514             9.92058
     C             3.48340            -4.36803            10.62103
     C             4.33467            -3.45671             9.92062
     C             5.03369            -2.42407            10.62101
     C             5.40520            -1.23366             9.92058
     C             5.58700             0.00001            12.02099
     C             5.40522             1.23367            12.72140
     C             5.03369             2.42408            12.02097
     C             4.33469             3.45673            12.72137
     C             3.48343             4.36807            12.02096
     C             2.40558             4.99517            12.72141
     C             1.24322             5.44682            12.02092
     C             0.00002             5.54418            12.72139
     C            -1.24318             5.44677            12.02092
     C            -2.40552             4.99510            12.72141
     C            -3.48338             4.36802            12.02096
     C            -4.33464             3.45668            12.72138
     C            -5.03367             2.42406            12.02098
     C            -5.40519             1.23365            12.72141
     C            -5.58697            -0.00002            12.02099
     C            -5.40523            -1.23370            12.72140
     C            -5.03372            -2.42411            12.02097
     C            -4.33473            -3.45677            12.72137
     C            -3.48344            -4.36808            12.02096
     C            -2.40557            -4.99517            12.72141
     C            -1.24321            -5.44681            12.02092
     C            -0.00001            -5.54416            12.72138
     C             1.24320            -5.44678            12.02092
     C             2.40554            -4.99509            12.72141
     C             3.48340            -4.36801            12.02096
     C             4.33468            -3.45669            12.72137
     C             5.03370            -2.42407            12.02097
     C             5.40525            -1.23367            12.72140
     C             5.56527             0.00000            14.85052
     C             5.42815             1.23893            14.14012
     C             5.01415             2.41467            14.85046
     C             4.35307             3.47143            14.14007
     C             3.46989             4.35114            14.85050
     C             2.41576             5.01639            14.14009
     C             1.23840             5.42572            14.85051
     C             0.00001             5.56775            14.14004
     C            -1.23837             5.42570            14.85051
     C            -2.41572             5.01634            14.14009
     C            -3.46985             4.35111            14.85050
     C            -4.35302             3.47139            14.14007
     C            -5.01412             2.41464            14.85046
     C            -5.42811             1.23890            14.14012
     C            -5.56524            -0.00002            14.85053
     C            -5.42817            -1.23895            14.14011
     C            -5.01419            -2.41470            14.85046
     C            -4.35312            -3.47147            14.14007
     C            -3.46991            -4.35115            14.85050
     C            -2.41577            -5.01638            14.14009
     C            -1.23839            -5.42569            14.85051
     C            -0.00001            -5.56771            14.14004
     C             1.23837            -5.42567            14.85051
     C             2.41573            -5.01632            14.14009
     C             3.46988            -4.35110            14.85050
     C             4.35307            -3.47140            14.14007
     C             5.01417            -2.41466            14.85046
     C             5.42818            -1.23893            14.14012
     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            -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             9.58785             0.60712            10.98290
     C             9.58883            -0.60302            11.65988
     C            10.75791             1.30463            10.46803
     H            11.02550             2.25265             9.80464
     C            11.81520             0.67656            11.01699
     H            12.86252             0.79812            10.85463
     C            11.81833            -0.67714            11.62580
     H            12.86492            -0.79928            11.79804
     C            10.75893            -1.30709            12.17144
     H            11.03503            -2.26449            12.81776
          178
 Energy:   -1205.784201270377    
     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             5.60116             0.00000             7.80198
     C             5.52870             1.26189             8.48103
     C             5.04645             2.43029             7.80195
     C             4.43371             3.53580             8.48106
     C             3.49227             4.37909             7.80198
     C             2.46056             5.10932             8.48102
     C             1.24636             5.46066             7.80199
     C             0.00000             5.67095             8.48103
     C            -1.24635             5.46066             7.80199
     C            -2.46054             5.10930             8.48102
     C            -3.49227             4.37909             7.80198
     C            -4.43371             3.53581             8.48106
     C            -5.04645             2.43029             7.80195
     C            -5.52870             1.26188             8.48103
     C            -5.60115             0.00000             7.80198
     C            -5.52867            -1.26188             8.48103
     C            -5.04642            -2.43027             7.80196
     C            -4.43367            -3.53578             8.48107
     C            -3.49224            -4.37908             7.80198
     C            -2.46054            -5.10932             8.48102
     C            -1.24635            -5.46069             7.80200
     C             0.00000            -5.67100             8.48104
     C             1.24636            -5.46069             7.80200
     C             2.46055            -5.10933             8.48102
     C             3.49226            -4.37909             7.80198
     C             4.43369            -3.53579             8.48106
     C             5.04644            -2.43028             7.80196
     C             5.52870            -1.26188             8.48103
     C             5.61783             0.00000            10.59754
     C             5.49465             1.25412             9.90581
     C             5.06148             2.43743            10.59753
     C             4.40644             3.51401             9.90585
     C             3.50264             4.39208            10.59751
     C             2.44541             5.07793             9.90586
     C             1.25004             5.47679            10.59748
     C             0.00001             5.63603             9.90587
     C            -1.25001             5.47676            10.59748
     C            -2.44539             5.07789             9.90586
     C            -3.50262             4.39205            10.59751
     C            -4.40644             3.51401             9.90586
     C            -5.06148             2.43742            10.59753
     C            -5.49465             1.25411             9.90580
     C            -5.61782             0.00000            10.59754
     C            -5.49463            -1.25410             9.90581
     C            -5.06147            -2.43742            10.59752
     C            -4.40642            -3.51400             9.90586
     C            -3.50263            -4.39209            10.59751
     C            -2.44540            -5.07793             9.90586
     C            -1.25003            -5.47681            10.59748
     C             0.00000            -5.63607             9.90588
     C             1.25002            -5.47679            10.59748
     C             2.44540            -5.07792             9.90586
     C             3.50262            -4.39207            10.59751
     C             4.40644            -3.51401             9.90585
     C             5.06149            -2.43742            10.59752
     C             5.49466            -1.25411             9.90581
     C             5.61785             0.00000            12.04444
     C             5.49468             1.25412            12.73618
     C             5.06149             2.43743            12.04446
     C             4.40646             3.51403            12.73613
     C             3.50265             4.39210            12.04447
     C             2.44542             5.07795            12.73612
     C             1.25004             5.47680            12.04450
     C             0.00001             5.63604            12.73611
     C            -1.25001             5.47676            12.04450
     C            -2.44538             5.07789            12.73612
     C            -3.50260             4.39204            12.04447
     C            -4.40641             3.51398            12.73613
     C            -5.06147             2.43741            12.04446
     C            -5.49465             1.25410            12.73618
     C            -5.61784            -0.00001            12.04444
     C            -5.49468            -1.25412            12.73618
     C            -5.06150            -2.43744            12.04446
     C            -4.40648            -3.51404            12.73613
     C            -3.50266            -4.39210            12.04447
     C            -2.44542            -5.07795            12.73612
     C            -1.25004            -5.47681            12.04451
     C            -0.00001            -5.63603            12.73611
     C             1.25002            -5.47677            12.04451
     C             2.44539            -5.07789            12.73612
     C             3.50263            -4.39205            12.04447
     C             4.40644            -3.51399            12.73613
     C             5.06150            -2.43742            12.04446
     C             5.49469            -1.25411            12.73618
     C             5.60119             0.00001            14.84001
     C             5.52873             1.26190            14.16096
     C             5.04646             2.43029            14.84004
     C             4.43371             3.53581            14.16093
     C             3.49227             4.37910            14.84002
     C             2.46057             5.10935            14.16097
     C             1.24636             5.46069            14.84000
     C             0.00001             5.67097            14.16095
     C            -1.24635             5.46067            14.84000
     C            -2.46053             5.10930            14.16096
     C            -3.49224             4.37907            14.84001
     C            -4.43367             3.53577            14.16092
     C            -5.04643             2.43026            14.84004
     C            -5.52869             1.26187            14.16096
     C            -5.60116            -0.00002            14.84001
     C            -5.52873            -1.26190            14.16096
     C            -5.04648            -2.43031            14.84004
     C            -4.43374            -3.53584            14.16093
     C            -3.49229            -4.37911            14.84002
     C            -2.46057            -5.10935            14.16097
     C            -1.24636            -5.46067            14.84000
     C             0.00000            -5.67095            14.16095
     C             1.24635            -5.46065            14.84000
     C             2.46055            -5.10929            14.16096
     C             3.49227            -4.37907            14.84001
     C             4.43371            -3.53578            14.16092
     C             5.04647            -2.43028            14.84004
     C             5.52875            -1.26188            14.16096
     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            -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             9.02146             0.56518            10.95975
     C             9.02542            -0.56396            11.68247
     C            10.07614             1.21289            10.44081
     H             9.97936             1.84505             9.45492
     C            11.31928             0.54799            10.84359
     H            12.05134             1.28652            10.67120
     C            11.31897            -0.54780            11.79942
     H            12.04967            -1.28565            11.96111
     C            10.07692            -1.21361            12.19916
     H             9.97463            -1.85443            13.18519
          178
 Energy:   -1204.703977341696    
     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             5.64250             0.00000             7.76279
     C             5.57283             1.27202             8.47136
     C             5.08371             2.44818             7.76280
     C             4.46915             3.56396             8.47134
     C             3.51800             4.41145             7.76282
     C             2.48019             5.15012             8.47140
     C             1.25560             5.50101             7.76281
     C             0.00000             5.71622             8.47134
     C            -1.25560             5.50101             7.76281
     C            -2.48017             5.15010             8.47140
     C            -3.51799             4.41144             7.76282
     C            -4.46914             3.56395             8.47134
     C            -5.08370             2.44818             7.76280
     C            -5.57282             1.27202             8.47136
     C            -5.64249            -0.00001             7.76279
     C            -5.57281            -1.27202             8.47136
     C            -5.08369            -2.44818             7.76280
     C            -4.46914            -3.56396             8.47135
     C            -3.51799            -4.41145             7.76282
     C            -2.48018            -5.15013             8.47140
     C            -1.25561            -5.50103             7.76281
     C             0.00000            -5.71625             8.47134
     C             1.25560            -5.50103             7.76281
     C             2.48018            -5.15012             8.47140
     C             3.51799            -4.41145             7.76282
     C             4.46914            -3.56397             8.47134
     C             5.08370            -2.44819             7.76280
     C             5.57283            -1.27203             8.47136
     C             5.64359             0.00000            10.60426
     C             5.58051             1.27371             9.90689
     C             5.08470             2.44867            10.60433
     C             4.47528             3.56888             9.90687
     C             3.51867             4.41230            10.60432
     C             2.48363             5.15718             9.90687
     C             1.25584             5.50198            10.60435
     C             0.00001             5.72402             9.90681
     C            -1.25582             5.50195            10.60434
     C            -2.48361             5.15714             9.90687
     C            -3.51864             4.41225            10.60432
     C            -4.47526             3.56885             9.90687
     C            -5.08469             2.44865            10.60432
     C            -5.58051             1.27371             9.90689
     C            -5.64360             0.00000            10.60426
     C            -5.58049            -1.27370             9.90689
     C            -5.08467            -2.44865            10.60433
     C            -4.47527            -3.56887             9.90688
     C            -3.51868            -4.41230            10.60433
     C            -2.48363            -5.15719             9.90688
     C            -1.25584            -5.50199            10.60435
     C            -0.00001            -5.72404             9.90682
     C             1.25582            -5.50196            10.60435
     C             2.48362            -5.15717             9.90687
     C             3.51867            -4.41229            10.60432
     C             4.47528            -3.56888             9.90687
     C             5.08470            -2.44867            10.60433
     C             5.58051            -1.27371             9.90689
     C             5.64360             0.00001            12.03773
     C             5.58053             1.27372            12.73510
     C             5.08471             2.44868            12.03766
     C             4.47530             3.56889            12.73511
     C             3.51868             4.41231            12.03767
     C             2.48364             5.15719            12.73512
     C             1.25584             5.50198            12.03764
     C             0.00001             5.72404            12.73517
     C            -1.25582             5.50196            12.03763
     C            -2.48360             5.15715            12.73511
     C            -3.51864             4.41225            12.03766
     C            -4.47525             3.56885            12.73511
     C            -5.08469             2.44865            12.03766
     C            -5.58051             1.27371            12.73510
     C            -5.64361             0.00000            12.03773
     C            -5.58052            -1.27371            12.73510
     C            -5.08469            -2.44866            12.03767
     C            -4.47529            -3.56888            12.73512
     C            -3.51868            -4.41231            12.03767
     C            -2.48364            -5.15720            12.73512
     C            -1.25585            -5.50200            12.03764
     C            -0.00001            -5.72404            12.73517
     C             1.25583            -5.50196            12.03764
     C             2.48362            -5.15716            12.73511
     C             3.51867            -4.41228            12.03766
     C             4.47529            -3.56887            12.73511
     C             5.08471            -2.44866            12.03766
     C             5.58053            -1.27370            12.73510
     C             5.64252             0.00001            14.87920
     C             5.57285             1.27204            14.17064
     C             5.08371             2.44820            14.87920
     C             4.46917             3.56399            14.17065
     C             3.51801             4.41147            14.87918
     C             2.48019             5.15014            14.17059
     C             1.25561             5.50103            14.87919
     C             0.00000             5.71624            14.17065
     C            -1.25560             5.50102            14.87918
     C            -2.48017             5.15010            14.17059
     C            -3.51798             4.41144            14.87918
     C            -4.46913             3.56394            14.17064
     C            -5.08369             2.44817            14.87919
     C            -5.57282             1.27202            14.17063
     C            -5.64250             0.00000            14.87920
     C            -5.57284            -1.27203            14.17064
     C            -5.08372            -2.44819            14.87920
     C            -4.46917            -3.56399            14.17065
     C            -3.51801            -4.41147            14.87918
     C            -2.48020            -5.15015            14.17060
     C            -1.25561            -5.50103            14.87919
     C             0.00000            -5.71624            14.17065
     C             1.25561            -5.50101            14.87918
     C             2.48018            -5.15010            14.17059
     C             3.51800            -4.41144            14.87918
     C             4.46916            -3.56396            14.17065
     C             5.08372            -2.44818            14.87920
     C             5.57286            -1.27202            14.17064
     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            -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
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     C             4.27848            -3.41198            16.98100
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     C             8.22983            -0.56529            11.71269
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     C            10.83036             0.50801            10.78944
     H            11.84968             0.91568            10.49550
     C            10.82801            -0.50862            11.85269
     H            11.85311            -0.91444            12.12709
     C             9.53177            -1.01537            12.31308
     H             9.33283            -1.78001            13.06245
          178
 Energy:   -1203.093114423707    
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     C             5.33518            -1.21772             5.66100
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     C             5.11243             2.46198             7.79412
     C             4.47120             3.56567             8.46285
     C             3.53793             4.43638             7.79414
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     C            -2.48131             5.15251             8.46285
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     C            -4.47118             3.56565             8.46285
     C            -5.11241             2.46197             7.79412
     C            -5.57550             1.27251             8.46289
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     C            -5.11243            -2.46199             7.79413
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     C            -2.48134            -5.15255             8.46285
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     C             2.48132            -5.15253             8.46285
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     C             4.47120            -3.56568             8.46285
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     C             5.57552            -1.27253             8.46288
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     C             5.59721             1.27757             9.90968
     C             5.13611             2.47346            10.60424
     C             4.48860             3.57953             9.90966
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     C            -2.49092             5.17247             9.90969
     C            -3.55431             4.45688            10.60423
     C            -4.48856             3.57949             9.90966
     C            -5.13609             2.47344            10.60424
     C            -5.59720             1.27756             9.90968
     C            -5.70064             0.00000            10.60430
     C            -5.59720            -1.27757             9.90968
     C            -5.13609            -2.47345            10.60425
     C            -4.48860            -3.57953             9.90967
     C            -3.55435            -4.45694            10.60424
     C            -2.49095            -5.17252             9.90969
     C            -1.26854            -5.55774            10.60421
     C            -0.00001            -5.74100             9.90974
     C             1.26851            -5.55771            10.60421
     C             2.49093            -5.17250             9.90969
     C             3.55435            -4.45693            10.60423
     C             4.48860            -3.57953             9.90966
     C             5.13611            -2.47346            10.60424
     C             5.59721            -1.27758             9.90968
     C             5.70061             0.00001            12.03771
     C             5.59722             1.27759            12.73233
     C             5.13612             2.47347            12.03776
     C             4.48861             3.57955            12.73234
     C             3.55436             4.45694            12.03776
     C             2.49095             5.17251            12.73231
     C             1.26853             5.55774            12.03778
     C             0.00000             5.74102            12.73226
     C            -1.26852             5.55773            12.03778
     C            -2.49093             5.17249            12.73230
     C            -3.55432             4.45689            12.03775
     C            -4.48858             3.57951            12.73233
     C            -5.13610             2.47344            12.03775
     C            -5.59722             1.27757            12.73232
     C            -5.70064             0.00000            12.03770
     C            -5.59720            -1.27757            12.73233
     C            -5.13608            -2.47345            12.03777
     C            -4.48858            -3.57952            12.73235
     C            -3.55435            -4.45694            12.03777
     C            -2.49095            -5.17253            12.73232
     C            -1.26854            -5.55775            12.03779
     C             0.00000            -5.74103            12.73226
     C             1.26852            -5.55772            12.03778
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     C             5.13612            -2.47346            12.03776
     C             5.59721            -1.27757            12.73233
     C             5.67433             0.00000            14.84783
     C             5.57553             1.27253            14.17912
     C             5.11245             2.46200            14.84788
     C             4.47122             3.56570            14.17915
     C             3.53794             4.43641            14.84786
     C             2.48133             5.15255            14.17915
     C             1.26268             5.53216            14.84788
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     C            -2.48132             5.15252            14.17914
     C            -3.53792             4.43638            14.84785
     C            -4.47119             3.56566            14.17914
     C            -5.11242             2.46198            14.84787
     C            -5.57551             1.27253            14.17911
     C            -5.67432             0.00001            14.84783
     C            -5.57550            -1.27252            14.17912
     C            -5.11242            -2.46198            14.84788
     C            -4.47120            -3.56567            14.17916
     C            -3.53793            -4.43640            14.84786
     C            -2.48133            -5.15256            14.17915
     C            -1.26268            -5.53218            14.84789
     C             0.00000            -5.71890            14.17918
     C             1.26268            -5.53216            14.84789
     C             2.48132            -5.15254            14.17914
     C             3.53793            -4.43639            14.84786
     C             4.47121            -3.56568            14.17915
     C             5.11243            -2.46198            14.84788
     C             5.57552            -1.27252            14.17912
     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            -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
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     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             7.60436             0.55349            10.83705
     C             7.60182            -0.55580            11.80163
     C             8.95888             0.82485            10.25610
     H             9.16027             1.58201             9.66902
     C            10.20365             0.44048            10.80598
     H            11.08777             0.43412            10.13859
     C            10.20529            -0.44136            11.83091
     H            11.08306            -0.44477            12.52019
     C             8.96086            -0.82176            12.38996
     H             9.16579            -1.57043            12.98606
          178
 Energy:   -1204.285625477846    
     C             5.47239             0.00000             6.36850
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     C             4.27848             3.41198             5.66100
     C             3.41198             4.27848             6.36850
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     C             4.27848            -3.41198             5.66100
     C             4.93045            -2.37438             6.36850
     C             5.33518            -1.21772             5.66100
     C             5.65607             0.00014             7.78927
     C             5.56094             1.27522             8.50694
     C             5.09600             2.45388             7.78609
     C             4.46023             3.55703             8.50301
     C             3.52645             4.42205             7.78735
     C             2.47526             5.13993             8.50304
     C             1.25856             5.51422             7.78737
     C             0.00001             5.70489             8.50315
     C            -1.25855             5.51422             7.78737
     C            -2.47524             5.13991             8.50304
     C            -3.52644             4.42203             7.78735
     C            -4.46023             3.55689             8.50307
     C            -5.09583             2.45400             7.78741
     C            -5.56190             1.26947             8.50308
     C            -5.65591            -0.00001             7.78737
     C            -5.56192            -1.26949             8.50309
     C            -5.09587            -2.45403             7.78741
     C            -4.46030            -3.55696             8.50307
     C            -3.52648            -4.42207             7.78735
     C            -2.47528            -5.13995             8.50304
     C            -1.25857            -5.51422             7.78738
     C            -0.00001            -5.70486             8.50315
     C             1.25855            -5.51421             7.78738
     C             2.47525            -5.13992             8.50304
     C             3.52646            -4.42205             7.78735
     C             4.46022            -3.55705             8.50301
     C             5.09604            -2.45388             7.78683
     C             5.56141            -1.27379             8.51061
     C             5.77303            -0.01371            10.52839
     C             5.53382             1.34456             9.86948
     C             5.19140             2.49570            10.58870
     C             4.46211             3.55871             9.91508
     C             3.59257             4.50489            10.59250
     C             2.47626             5.14197             9.91461
     C             1.28214             5.61753            10.59252
     C             0.00001             5.70716             9.91460
     C            -1.28213             5.61753            10.59252
     C            -2.47623             5.14194             9.91460
     C            -3.59251             4.50486            10.59246
     C            -4.46205             3.55838             9.91460
     C            -5.19133             2.50001            10.59247
     C            -5.56420             1.26994             9.91466
     C            -5.76192            -0.00001            10.59242
     C            -5.56421            -1.26997             9.91467
     C            -5.19134            -2.50003            10.59248
     C            -4.46211            -3.55844             9.91461
     C            -3.59256            -4.50492            10.59247
     C            -2.47627            -5.14199             9.91461
     C            -1.28215            -5.61754            10.59252
     C            -0.00001            -5.70713             9.91460
     C             1.28213            -5.61751            10.59252
     C             2.47625            -5.14195             9.91461
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     C             4.46223            -3.55844             9.91492
     C             5.19178            -2.49397            10.58820
     C             5.53783            -1.32060             9.88624
     C             5.77100             0.01402            12.11377
     C             5.53791             1.32070            12.75584
     C             5.19180             2.49402            12.05381
     C             4.46225             3.55845            12.72708
     C             3.59259             4.50488            12.04952
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     C             0.00000             5.70717            12.72740
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     C            -2.47624             5.14196            12.72739
     C            -3.59253             4.50488            12.04954
     C            -4.46209             3.55841            12.72739
     C            -5.19136             2.50003            12.04953
     C            -5.56422             1.26996            12.72735
     C            -5.76192             0.00000            12.04960
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     C            -5.19132            -2.50002            12.04954
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     C            -3.59254            -4.50491            12.04956
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     C             1.28213            -5.61754            12.04949
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     C             3.59257            -4.50491            12.04951
     C             4.46212            -3.55873            12.72693
     C             5.19140            -2.49573            12.05330
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     C             5.65606            -0.00014            14.85274
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     C             5.09606             2.45389            14.85518
     C             4.46024             3.55706            14.13900
     C             3.52647             4.42206            14.85466
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     C            -4.46027             3.55694            14.13893
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     C            -5.56192             1.26949            14.13893
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     C            -5.56189            -1.26947            14.13893
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     C             4.46023            -3.55704            14.13900
     C             5.09599            -2.45389            14.85591
     C             5.56094            -1.27525            14.13510
     C             5.47239             0.00000            16.27350
     C             5.33518             1.21772            16.98100
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     C             4.27848             3.41198            16.98100
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     C             4.27848            -3.41198            16.98100
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     C             5.33518            -1.21772            16.98100
     C             7.19950             0.41454            10.71458
     C             7.20109            -0.41965            11.92549
     C             8.31416             0.80071            10.20973
     H             8.20819             1.35159             9.26942
     C             9.53378             0.27137            10.63219
     H            10.45475             0.66061            10.14562
     C             9.52913            -0.27558            12.00690
     H            10.47893            -0.64848            12.48360
     C             8.31365            -0.79511            12.43568
     H             8.20270            -1.32595            13.37671
          178
 Energy:   -1199.884326871809    
     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
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     C            -4.93045             2.37438             6.36850
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     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             5.59895             0.00225             7.80766
     C             5.48698             1.31507             8.41479
     C             5.03859             2.44788             7.76136
     C             4.41733             3.52362             8.48048
     C             3.49002             4.37755             7.79422
     C             2.45116             5.09001             8.48194
     C             1.24578             5.45811             7.79445
     C             0.00001             5.64945             8.48183
     C            -1.24577             5.45810             7.79444
     C            -2.45117             5.08996             8.48189
     C            -3.49057             4.37707             7.79443
     C            -4.41685             3.52235             8.48187
     C            -5.04403             2.42910             7.79441
     C            -5.50784             1.25713             8.48187
     C            -5.59852            -0.00002             7.79444
     C            -5.50787            -1.25717             8.48187
     C            -5.04408            -2.42914             7.79441
     C            -4.41694            -3.52242             8.48186
     C            -3.49063            -4.37712             7.79443
     C            -2.45122            -5.09000             8.48189
     C            -1.24580            -5.45809             7.79445
     C            -0.00001            -5.64940             8.48183
     C             1.24576            -5.45807             7.79446
     C             2.45116            -5.08999             8.48191
     C             3.49020            -4.37745             7.79427
     C             4.41705            -3.52362             8.48089
     C             5.04115            -2.44111             7.77561
     C             5.49072            -1.30231             8.44386
     C             5.44856            -0.03362            10.43036
     C             5.43212             1.38661             9.83528
     C             5.16836             2.54088            10.62754
     C             4.44898             3.57012             9.94942
     C             3.59387             4.51126            10.62224
     C             2.47169             5.13282             9.94334
     C             1.28329             5.62236            10.62122
     C             0.00001             5.69690             9.94327
     C            -1.28328             5.62237            10.62122
     C            -2.47173             5.13268             9.94320
     C            -3.59559             4.50882            10.62127
     C            -4.45395             3.55187             9.94324
     C            -5.19589             2.50215            10.62127
     C            -5.55403             1.26767             9.94318
     C            -5.76700            -0.00001            10.62133
     C            -5.55405            -1.26771             9.94318
     C            -5.19591            -2.50219            10.62128
     C            -4.45402            -3.55195             9.94325
     C            -3.59563            -4.50887            10.62128
     C            -2.47177            -5.13273             9.94320
     C            -1.28330            -5.62236            10.62123
     C            -0.00001            -5.69686             9.94327
     C             1.28330            -5.62233            10.62122
     C             2.47182            -5.13267             9.94325
     C             3.59494            -4.50990            10.62161
     C             4.45182            -3.56088             9.94599
     C             5.17351            -2.52416            10.62794
     C             5.45361            -1.36548             9.85968
     C             5.45208             0.03514            12.20799
     C             5.45453             1.36539            12.78191
     C             5.17361             2.52436            12.01407
     C             4.45182             3.56094            12.69604
     C             3.59493             4.50991            12.02041
     C             2.47183             5.13268            12.69877
     C             1.28330             5.62235            12.02079
     C             0.00000             5.69690            12.69875
     C            -1.28329             5.62237            12.02079
     C            -2.47175             5.13271            12.69882
     C            -3.59560             4.50884            12.02074
     C            -4.45400             3.55193            12.69877
     C            -5.19591             2.50218            12.02075
     C            -5.55405             1.26770            12.69884
     C            -5.76699             0.00000            12.02070
     C            -5.55400            -1.26768            12.69884
     C            -5.19587            -2.50216            12.02075
     C            -4.45395            -3.55190            12.69877
     C            -3.59560            -4.50885            12.02074
     C            -2.47174            -5.13271            12.69882
     C            -1.28330            -5.62238            12.02079
     C             0.00000            -5.69692            12.69874
     C             1.28328            -5.62238            12.02079
     C             2.47170            -5.13285            12.69867
     C             3.59387            -4.51128            12.01978
     C             4.44900            -3.57012            12.69260
     C             5.16847            -2.54092            12.01447
     C             5.43298            -1.38678            12.80650
     C             5.59893            -0.00224            14.83435
     C             5.49086             1.30218            14.19811
     C             5.04116             2.44113            14.86644
     C             4.41706             3.52363            14.16113
     C             3.49020             4.37745            14.84773
     C             2.45117             5.09000            14.16010
     C             1.24578             5.45809            14.84755
     C             0.00000             5.64944            14.16018
     C            -1.24578             5.45810            14.84756
     C            -2.45119             5.08998            14.16012
     C            -3.49060             4.37711            14.84758
     C            -4.41692             3.52241            14.16015
     C            -5.04407             2.42914            14.84760
     C            -5.50787             1.25716            14.16014
     C            -5.59851             0.00001            14.84757
     C            -5.50781            -1.25713            14.16013
     C            -5.04401            -2.42910            14.84760
     C            -4.41685            -3.52236            14.16015
     C            -3.49057            -4.37708            14.84758
     C            -2.45119            -5.08999            14.16012
     C            -1.24578            -5.45812            14.84756
     C             0.00000            -5.64948            14.16018
     C             1.24577            -5.45813            14.84755
     C             2.45116            -5.09005            14.16007
     C             3.49002            -4.37757            14.84779
     C             4.41733            -3.52365            14.16153
     C             5.03860            -2.44787            14.88062
     C             5.48713            -1.31491            14.22704
     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            -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             6.97880             0.22727            10.68864
     C             6.97901            -0.23496            11.95264
     C             7.88984             0.85988             9.92208
     H             7.90803             1.25271             8.78724
     C             8.94092             0.26336            10.58321
     H             9.95104             0.31404            10.31821
     C             8.94207            -0.26202            12.05295
     H             9.95139            -0.33873            12.34723
     C             7.89032            -0.85543            12.72615
     H             7.91133            -1.22504            13.86543
          178
 Energy:   -1196.881354912021    
     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             5.51004             0.00483             7.77190
     C             5.39215             1.29453             8.42692
     C             4.96174             2.48270             7.73631
     C             4.34593             3.50317             8.50428
     C             3.43642             4.32779             7.79039
     C             2.41450             5.01846             8.51264
     C             1.22887             5.38569             7.79133
     C            -0.00007             5.56885             8.51176
     C            -1.22923             5.38554             7.79127
     C            -2.41620             5.01731             8.51174
     C            -3.44418             4.31889             7.79133
     C            -4.35382             3.47207             8.51178
     C            -4.97705             2.39682             7.79130
     C            -5.42917             1.23916             8.51168
     C            -5.52424            -0.00002             7.79130
     C            -5.42922            -1.23921             8.51167
     C            -4.97711            -2.39687             7.79129
     C            -4.35392            -3.47215             8.51176
     C            -3.44424            -4.31895             7.79133
     C            -2.41624            -5.01735             8.51173
     C            -1.22925            -5.38552             7.79127
     C            -0.00006            -5.56878             8.51175
     C             1.22896            -5.38561             7.79129
     C             2.41501            -5.01806             8.51195
     C             3.43901            -4.32504             7.79056
     C             4.34917            -3.49289             8.50575
     C             4.96452            -2.46415             7.73664
     C             5.40057            -1.28917             8.42620
     C             4.91063             0.00099            10.58797
     C             5.28559             1.37012             9.78586
     C             5.08526             2.53231            10.56826
     C             4.44277             3.63274             9.88673
     C             3.54286             4.49469            10.59774
     C             2.46932             5.14677             9.90452
     C             1.26947             5.56879            10.59058
     C            -0.00019             5.70652             9.90498
     C            -1.27091             5.56821            10.59048
     C            -2.47593             5.14134             9.90504
     C            -3.56099             4.46534            10.59041
     C            -4.46136             3.55785             9.90505
     C            -5.14583             2.47809            10.59042
     C            -5.56329             1.26977             9.90501
     C            -5.71150            -0.00001            10.59032
     C            -5.56333            -1.26980             9.90501
     C            -5.14587            -2.47814            10.59041
     C            -4.46144            -3.55793             9.90504
     C            -3.56103            -4.46539            10.59041
     C            -2.47596            -5.14137             9.90503
     C            -1.27091            -5.56820            10.59047
     C            -0.00008            -5.70644             9.90496
     C             1.27018            -5.56846            10.59038
     C             2.47167            -5.14445             9.90349
     C             3.54689            -4.48587            10.59210
     C             4.44286            -3.61837             9.89349
     C             5.08768            -2.54053            10.58126
     C             5.29910            -1.38429             9.79666
     C             4.91415             0.00198            12.05058
     C             5.30119             1.38450            12.84369
     C             5.08816             2.54084            12.06050
     C             4.44291             3.61823            12.74865
     C             3.54688             4.48586            12.04995
     C             2.47165             5.14447            12.73854
     C             1.27018             5.56848            12.05164
     C            -0.00007             5.70648            12.73707
     C            -1.27090             5.56822            12.05155
     C            -2.47594             5.14136            12.73699
     C            -3.56101             4.46537            12.05161
     C            -4.46142             3.55791            12.73697
     C            -5.14586             2.47812            12.05160
     C            -5.56332             1.26979            12.73701
     C            -5.71148             0.00000            12.05169
     C            -5.56326            -1.26977            12.73701
     C            -5.14582            -2.47810            12.05160
     C            -4.46135            -3.55786            12.73697
     C            -3.56099            -4.46536            12.05160
     C            -2.47593            -5.14135            12.73698
     C            -1.27092            -5.56822            12.05154
     C            -0.00020            -5.70654            12.73703
     C             1.26947            -5.56881            12.05144
     C             2.46934            -5.14680            12.73749
     C             3.54289            -4.49465            12.04430
     C             4.44283            -3.63254            12.75528
     C             5.08544            -2.53253            12.07329
     C             5.28427            -1.37089            12.85593
     C             5.51008            -0.00488            14.86997
     C             5.40067             1.28847            14.21435
     C             4.96462             2.46363            14.90479
     C             4.34918             3.49284            14.13627
     C             3.43902             4.32502            14.85147
     C             2.41501             5.01807            14.13007
     C             1.22897             5.38564            14.85072
     C            -0.00005             5.56882            14.13028
     C            -1.22924             5.38553            14.85074
     C            -2.41622             5.01734            14.13029
     C            -3.44422             4.31893            14.85068
     C            -4.35390             3.47214            14.13025
     C            -4.97711             2.39687            14.85071
     C            -5.42921             1.23920            14.13034
     C            -5.52422             0.00001            14.85071
     C            -5.42913            -1.23916            14.13033
     C            -4.97703            -2.39682            14.85071
     C            -4.35381            -3.47207            14.13023
     C            -3.44417            -4.31890            14.85067
     C            -2.41620            -5.01733            14.13028
     C            -1.22924            -5.38555            14.85074
     C            -0.00008            -5.56888            14.13026
     C             1.22887            -5.38572            14.85068
     C             2.41451            -5.01850            14.12939
     C             3.43645            -4.32779            14.85162
     C             4.34597            -3.50308            14.13770
     C             4.96181            -2.48223            14.90531
     C             5.39217            -1.29405            14.21457
     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            -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             6.61340             0.19509            10.52777
     C             6.62164            -0.20462            12.11344
     C             7.66853             0.79790             9.55959
     H             7.46722             1.61968             8.59307
     C             8.75977             0.30711            10.73465
     H             9.50445             0.06758             9.97286
     C             8.75897            -0.30652            11.91351
     H             9.52467            -0.07708            12.62561
     C             7.67035            -0.79173            13.08636
     H             7.50133            -1.60782            14.07052
          178
 Energy:   -1198.797673858408    
     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             5.41487             0.00285             7.78006
     C             5.25181             1.25160             8.45044
     C             4.94345             2.41895             7.77879
     C             4.29244             3.51713             8.44871
     C             3.36642             4.30823             7.76940
     C             2.36590             4.96686             8.48044
     C             1.20607             5.31878             7.78968
     C            -0.00196             5.49731             8.47808
     C            -1.21368             5.31577             7.79084
     C            -2.38506             4.95248             8.47779
     C            -3.39959             4.26288             7.79089
     C            -4.29760             3.42719             8.47777
     C            -4.91255             2.36575             7.79092
     C            -5.35904             1.22313             8.47778
     C            -5.45262            -0.00002             7.79084
     C            -5.35909            -1.22318             8.47777
     C            -4.91261            -2.36580             7.79092
     C            -4.29769            -3.42727             8.47776
     C            -3.39963            -4.26294             7.79088
     C            -2.38507            -4.95251             8.47778
     C            -1.21358            -5.31575             7.79085
     C            -0.00134            -5.49710             8.47780
     C             1.20795            -5.31784             7.78937
     C             2.37090            -4.96258             8.47766
     C             3.37476            -4.29639             7.77495
     C             4.29220            -3.49675             8.45439
     C             4.93445            -2.41778             7.78053
     C             5.27930            -1.24189             8.46102
     C             4.70003             0.04128            10.50223
     C             4.94076             1.35526             9.84741
     C             4.95620             2.57469            10.60343
     C             4.41019             3.66293             9.88960
     C             3.49771             4.49409            10.61761
     C             2.42570             5.12879             9.90699
     C             1.24307             5.51693            10.61896
     C            -0.00445             5.66158             9.91329
     C            -1.25854             5.51006            10.61639
     C            -2.45628             5.10018             9.91382
     C            -3.52381             4.41869            10.61639
     C            -4.42573             3.52939             9.91381
     C            -5.09201             2.45222            10.61634
     C            -5.51882             1.25964             9.91378
     C            -5.65180            -0.00001            10.61642
     C            -5.51887            -1.25967             9.91378
     C            -5.09206            -2.45225            10.61633
     C            -4.42581            -3.52946             9.91380
     C            -3.52383            -4.41872            10.61637
     C            -2.45623            -5.10021             9.91381
     C            -1.25817            -5.51005            10.61631
     C            -0.00316            -5.66120             9.91304
     C             1.24618            -5.51517            10.61675
     C             2.42742            -5.12357             9.90439
     C             3.48997            -4.49081            10.61768
     C             4.40415            -3.65455             9.88619
     C             4.97890            -2.55071            10.61765
     C             5.06943            -1.27666             9.89256
     C             4.71426            -0.04265            12.13755
     C             5.07177             1.27809            12.74782
     C             4.97986             2.55191            12.02324
     C             4.40418             3.65444            12.75550
     C             3.49002             4.49066            12.02448
     C             2.42745             5.12354            12.73766
     C             1.24618             5.51518            12.02528
     C            -0.00316             5.66123            12.72897
     C            -1.25817             5.51007            12.02571
     C            -2.45623             5.10022            12.72821
     C            -3.52382             4.41871            12.02564
     C            -4.42579             3.52944            12.72821
     C            -5.09204             2.45224            12.02567
     C            -5.51884             1.25966            12.72822
     C            -5.65179             0.00000            12.02558
     C            -5.51880            -1.25964            12.72822
     C            -5.09201            -2.45222            12.02566
     C            -4.42572            -3.52938            12.72820
     C            -3.52381            -4.41868            12.02562
     C            -2.45628            -5.10017            12.72819
     C            -1.25853            -5.51006            12.02563
     C            -0.00444            -5.66159            12.72872
     C             1.24310            -5.51695            12.02308
     C             2.42576            -5.12877            12.73505
     C             3.49767            -4.49408            12.02447
     C             4.41027            -3.66318            12.75207
     C             4.95516            -2.57394            12.03821
     C             4.93833            -1.35284            12.79328
     C             5.41502            -0.00287            14.86138
     C             5.27960             1.24172            14.17968
     C             4.93424             2.41682            14.86099
     C             4.29223             3.49626            14.18747
     C             3.37489             4.29618            14.86706
     C             2.37096             4.96255            14.16442
     C             1.20796             5.31786            14.85264
     C            -0.00134             5.49714            14.16421
     C            -1.21358             5.31576            14.85115
     C            -2.38507             4.95251            14.16423
     C            -3.39963             4.26293            14.85113
     C            -4.29768             3.42725            14.16425
     C            -4.91261             2.36579            14.85109
     C            -5.35908             1.22317            14.16423
     C            -5.45259             0.00001            14.85117
     C            -5.35900            -1.22314            14.16422
     C            -4.91252            -2.36575            14.85109
     C            -4.29758            -3.42719            14.16423
     C            -3.39957            -4.26289            14.85112
     C            -2.38505            -4.95248            14.16422
     C            -1.21367            -5.31577            14.85117
     C            -0.00196            -5.49733            14.16393
     C             1.20610            -5.31880            14.85233
     C             2.36600            -4.96685            14.16160
     C             3.36661            -4.30802            14.87251
     C             4.29252            -3.51669            14.19311
     C             4.94335            -2.41871            14.86327
     C             5.25057            -1.25147            14.19067
     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            -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             6.36199             0.09125            10.51673
     C             6.36397            -0.09823            12.12448
     C             7.39923             0.62573             9.53454
     H             7.33084             1.40620             8.62596
     C             8.49443             0.31929            10.61327
     H             9.52603             0.15018            10.03197
     C             8.51807            -0.31594            12.05087
     H             9.56639            -0.19149            12.51929
     C             7.40839            -0.62240            13.10708
     H             7.35712            -1.40318            14.02583
          178
 Energy:   -1199.879885966902    
     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             5.33062             0.00891             7.84774
     C             5.04663             1.23255             8.57245
     C             4.90739             2.41531             7.76416
     C             4.31791             3.51600             8.47256
     C             3.36196             4.29352             7.75444
     C             2.33066             4.95318             8.49517
     C             1.17075             5.29672             7.75904
     C            -0.01698             5.45930             8.50589
     C            -1.21155             5.28008             7.76569
     C            -2.36863             4.91451             8.50513
     C            -3.37705             4.23400             7.76630
     C            -4.26506             3.40114             8.50507
     C            -4.87945             2.34973             7.76629
     C            -5.31842             1.21385             8.50511
     C            -5.41576            -0.00001             7.76637
     C            -5.31848            -1.21389             8.50511
     C            -4.87951            -2.34978             7.76630
     C            -4.26512            -3.40123             8.50506
     C            -3.37698            -4.23410             7.76631
     C            -2.36816            -4.91462             8.50508
     C            -1.21001            -5.28001             7.76566
     C            -0.01265            -5.45801             8.50441
     C             1.17749            -5.29237             7.75883
     C             2.33533            -4.94470             8.49385
     C             3.35836            -4.28358             7.75167
     C             4.30100            -3.49886             8.48128
     C             4.91093            -2.37959             7.79669
     C             5.11848            -1.20860             8.58806
     C             4.60566             0.00256            10.59006
     C             4.69075             1.35855             9.88435
     C             4.77725             2.53114            10.60055
     C             4.32283             3.68523             9.88250
     C             3.45792             4.54459            10.60156
     C             2.35459             5.05943             9.89958
     C             1.20602             5.48560            10.60949
     C            -0.02294             5.54760             9.90766
     C            -1.25558             5.46142            10.60544
     C            -2.40723             4.99270             9.91145
     C            -3.49319             4.37937            10.60386
     C            -4.33316             3.45543             9.91182
     C            -5.04698             2.43045            10.60383
     C            -5.40328             1.23324             9.91191
     C            -5.60176            -0.00001            10.60374
     C            -5.40333            -1.23327             9.91190
     C            -5.04702            -2.43048            10.60382
     C            -4.33319            -3.45550             9.91180
     C            -3.49304            -4.37946            10.60380
     C            -2.40664            -4.99280             9.91138
     C            -1.25408            -5.46129            10.60448
     C            -0.02172            -5.54650             9.90605
     C             1.20454            -5.48415            10.60589
     C             2.35093            -5.05412             9.89625
     C             3.46544            -4.52126            10.60250
     C             4.32838            -3.61666             9.89765
     C             4.82851            -2.48727            10.60649
     C             4.80503            -1.34287             9.89180
     C             4.61449            -0.00221            12.04693
     C             4.81145             1.34128            12.74760
     C             4.83033             2.48774            12.03532
     C             4.32853             3.61667            12.74420
     C             3.46524             4.52130            12.03922
     C             2.35097             5.05401            12.74584
     C             1.20461             5.48411            12.03620
     C            -0.02171             5.54651            12.73597
     C            -1.25408             5.46131            12.03753
     C            -2.40665             4.99282            12.73063
     C            -3.49304             4.37947            12.03820
     C            -4.33317             3.45549            12.73019
     C            -5.04700             2.43047            12.03818
     C            -5.40330             1.23326            12.73009
     C            -5.60175             0.00001            12.03825
     C            -5.40326            -1.23324            12.73009
     C            -5.04698            -2.43045            12.03817
     C            -4.33314            -3.45541            12.73018
     C            -3.49317            -4.37936            12.03814
     C            -2.40721            -4.99268            12.73056
     C            -1.25555            -5.46142            12.03657
     C            -0.02290            -5.54761            12.73435
     C             1.20606            -5.48559            12.03258
     C             2.35455            -5.05944            12.74255
     C             3.45803            -4.54477            12.04034
     C             4.32305            -3.68423            12.75895
     C             4.77404            -2.52939            12.04055
     C             4.68971            -1.35994            12.75801
     C             5.33044            -0.00886            14.79377
     C             5.11933             1.20888            14.05318
     C             4.90999             2.37959            14.84539
     C             4.30063             3.49815            14.16022
     C             3.35851             4.28312            14.89012
     C             2.33550             4.94454            14.14821
     C             1.17760             5.29233            14.88318
     C            -0.01261             5.45803            14.13760
     C            -1.21001             5.28003            14.87633
     C            -2.36817             4.91464            14.13692
     C            -3.37698             4.23410            14.87569
     C            -4.26512             3.40122            14.13694
     C            -4.87950             2.34977            14.87570
     C            -5.31845             1.21388            14.13689
     C            -5.41573             0.00001            14.87563
     C            -5.31839            -1.21385            14.13689
     C            -4.87943            -2.34972            14.87570
     C            -4.26504            -3.40113            14.13693
     C            -3.37703            -4.23401            14.87570
     C            -2.36860            -4.91450            14.13687
     C            -1.21151            -5.28008            14.87631
     C            -0.01688            -5.45930            14.13613
     C             1.17091            -5.29666            14.88295
     C             2.33082            -4.95304            14.14687
     C             3.36199            -4.29328            14.88748
     C             4.31781            -3.51613            14.16913
     C             4.90676            -2.41514            14.87724
     C             5.04347            -1.23213            14.06972
     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            -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             6.16182             0.10249            10.63602
     C             6.17913            -0.10605            12.01937
     C             7.10937             0.37174             9.86568
     H             7.20158             0.59833             8.88993
     C             8.26149             0.19159            10.51320
     H             9.30087             0.71585            10.41853
     C             8.30780            -0.18960            12.14754
     H             9.25690            -0.81652            12.36050
     C             7.13703            -0.36223            12.75989
     H             7.20051            -0.59615            13.73274
          178
 Energy:   -1198.616447777889    
     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             5.21890             0.02498             7.88271
     C             4.86783             1.24411             8.50872
     C             4.84546             2.43775             7.82809
     C             4.32808             3.56754             8.49708
     C             3.40118             4.32306             7.80359
     C             2.32998             4.92343             8.47686
     C             1.17525             5.32166             7.79793
     C            -0.03846             5.42400             8.49097
     C            -1.23683             5.29849             7.80099
     C            -2.35995             4.87090             8.49505
     C            -3.39179             4.24510             7.80597
     C            -4.23007             3.37135             8.49427
     C            -4.89473             2.35670             7.80688
     C            -5.27333             1.20352             8.49417
     C            -5.43243            -0.00001             7.80693
     C            -5.27336            -1.20357             8.49416
     C            -4.89471            -2.35682             7.80689
     C            -4.22980            -3.37163             8.49421
     C            -3.39073            -4.24559             7.80612
     C            -2.35699            -4.87129             8.49438
     C            -1.23228            -5.29756             7.80063
     C            -0.03410            -5.42047             8.48844
     C             1.17485            -5.31731             7.79699
     C             2.32524            -4.91540             8.47868
     C             3.40262            -4.30038             7.81630
     C             4.31364            -3.49849             8.50595
     C             4.86739            -2.41117             7.79014
     C             4.96146            -1.22528             8.51148
     C             4.26305            -0.04136            10.49283
     C             4.47719             1.31157             9.85326
     C             4.54635             2.49457            10.62453
     C             4.26642             3.64346             9.90974
     C             3.43796             4.59193            10.60909
     C             2.29155             5.03018             9.88767
     C             1.15824             5.43711            10.61430
     C            -0.05297             5.45535             9.90316
     C            -1.26168             5.38612            10.62009
     C            -2.37425             4.89507             9.90758
     C            -3.44889             4.31538            10.61703
     C            -4.25172             3.38823             9.90968
     C            -4.97624             2.39590            10.61608
     C            -5.29997             1.20956             9.90984
     C            -5.52296            -0.00001            10.61610
     C            -5.30001            -1.20961             9.90984
     C            -4.97622            -2.39601            10.61605
     C            -4.25150            -3.38843             9.90966
     C            -3.44824            -4.31562            10.61662
     C            -2.37371            -4.89475             9.90706
     C            -1.26166            -5.38560            10.61778
     C            -0.05366            -5.45383             9.89881
     C             1.16528            -5.43336            10.61278
     C             2.31305            -5.00218             9.89324
     C             3.44376            -4.54159            10.60348
     C             4.24768            -3.61403             9.91403
     C             4.58724            -2.49875            10.65257
     C             4.57548            -1.29595             9.88209
     C             4.29497             0.03969            12.12772
     C             4.58572             1.29474            12.75641
     C             4.59156             2.49938            11.98805
     C             4.24750             3.61237            12.72764
     C             3.44396             4.54081            12.03850
     C             2.31307             5.00204            12.74866
     C             1.16525             5.43332            12.02927
     C            -0.05364             5.45381            12.74324
     C            -1.26164             5.38562            12.02424
     C            -2.37372             4.89479            12.73493
     C            -3.44825             4.31564            12.02537
     C            -4.25149             3.38843            12.73232
     C            -4.97619             2.39600            12.02593
     C            -5.29997             1.20960            12.73214
     C            -5.52295             0.00001            12.02589
     C            -5.29997            -1.20955            12.73214
     C            -4.97625            -2.39590            12.02591
     C            -4.25170            -3.38822            12.73231
     C            -3.44885            -4.31536            12.02496
     C            -2.37421            -4.89505            12.73441
     C            -1.26162            -5.38610            12.02193
     C            -0.05295            -5.45533            12.73892
     C             1.15830            -5.43708            12.02778
     C             2.29193            -5.03010            12.75417
     C             3.43829            -4.59217            12.03271
     C             4.26452            -3.64306            12.73194
     C             4.54307            -2.49346            12.01681
     C             4.49356            -1.29652            12.77697
     C             5.21754            -0.02498            14.75991
     C             4.96318             1.22414            14.12955
     C             4.86662             2.41017            14.85066
     C             4.31254             3.49818            14.13599
     C             3.40213             4.30024            14.82580
     C             2.32523             4.91521            14.16320
     C             1.17501             5.31717            14.84500
     C            -0.03395             5.42043            14.15362
     C            -1.23221             5.29758            14.84137
     C            -2.35698             4.87133            14.14761
     C            -3.39073             4.24561            14.83588
     C            -4.22979             3.37164            14.14778
     C            -4.89469             2.35682            14.83510
     C            -5.27333             1.20357            14.14782
     C            -5.43241             0.00002            14.83507
     C            -5.27331            -1.20351            14.14782
     C            -4.89471            -2.35669            14.83511
     C            -4.23005            -3.37134            14.14772
     C            -3.39175            -4.24509            14.83603
     C            -2.35987            -4.87089            14.14695
     C            -1.23670            -5.29848            14.84100
     C            -0.03831            -5.42395            14.15107
     C             1.17529            -5.32155            14.84410
     C             2.32984            -4.92332            14.16507
     C             3.40112            -4.32327            14.83825
     C             4.32828            -3.56758            14.14433
     C             4.84359            -2.43748            14.81435
     C             4.86404            -1.24226            14.13257
     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            -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             5.83492             0.13773            10.66511
     C             5.86713            -0.14265            12.00575
     C             7.09054             0.08592            10.01352
     H             6.93294            -0.07549             9.04694
     C             8.34056             0.14615            10.73766
     H             8.96353             0.77178            10.04331
     C             8.32950            -0.16142            11.91622
     H             9.07958            -0.74646            12.49631
     C             7.11479            -0.07818            12.66320
     H             6.99131             0.07500            13.63570
          178
 Energy:   -1196.911619461882    
     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             5.08334             0.00729             7.73812
     C             4.73777             1.23234             8.44292
     C             4.81425             2.47381             7.74538
     C             4.33197             3.61855             8.52501
     C             3.42237             4.42323             7.75494
     C             2.32500             4.93859             8.50134
     C             1.19273             5.34355             7.76035
     C            -0.02707             5.41940             8.49424
     C            -1.25058             5.33411             7.76026
     C            -2.37019             4.85830             8.50623
     C            -3.42370             4.26262             7.76258
     C            -4.22366             3.35643             8.50821
     C            -4.92339             2.36674             7.76553
     C            -5.25733             1.19867             8.50792
     C            -5.46200            -0.00010             7.76601
     C            -5.25722            -1.19899             8.50791
     C            -4.92289            -2.36740             7.76562
     C            -4.22208            -3.35741             8.50799
     C            -3.42112            -4.26331             7.76252
     C            -2.36728            -4.85716             8.50463
     C            -1.25089            -5.33114             7.75854
     C            -0.03037            -5.41548             8.49473
     C             1.19782            -5.33964             7.76407
     C             2.33786            -4.91230             8.50445
     C             3.42698            -4.37012             7.75402
     C             4.30160            -3.55937             8.51392
     C             4.83332            -2.45009             7.76987
     C             4.82677            -1.21777             8.46139
     C             3.91443             0.06437            10.50670
     C             4.15613             1.30910             9.72478
     C             4.30396             2.38654            10.57667
     C             4.22001             3.67301             9.94994
     C             3.42242             4.59661            10.61890
     C             2.31542             5.05684             9.90755
     C             1.12725             5.35432            10.61887
     C            -0.07846             5.43278             9.90546
     C            -1.26595             5.27396            10.61896
     C            -2.38334             4.85393             9.91042
     C            -3.38937             4.21186            10.62082
     C            -4.22481             3.35462             9.91296
     C            -4.86779             2.33915            10.61909
     C            -5.25685             1.19839             9.91418
     C            -5.39983            -0.00008            10.61847
     C            -5.25679            -1.19858             9.91418
     C            -4.86758            -2.33944            10.61892
     C            -4.22452            -3.35459             9.91272
     C            -3.38910            -4.21171            10.61997
     C            -2.38286            -4.85313             9.90771
     C            -1.26067            -5.27427            10.61594
     C            -0.06290            -5.42792             9.90733
     C             1.14088            -5.34150            10.61250
     C             2.29420            -5.02865             9.90535
     C             3.39475            -4.58956            10.62656
     C             4.21138            -3.65059             9.93943
     C             4.34157            -2.38927            10.60497
     C             4.40357            -1.29273             9.78194
     C             3.97174            -0.05181            12.09486
     C             4.41921             1.29588            12.84867
     C             4.34899             2.39117            12.03464
     C             4.21062             3.64862            12.70281
     C             3.39425             4.58733            12.01533
     C             2.29459             5.02800            12.73636
     C             1.14105             5.34144            12.02941
     C            -0.06284             5.42785            12.73475
     C            -1.26066             5.27429            12.02611
     C            -2.38286             4.85317            12.73431
     C            -3.38911             4.21176            12.02202
     C            -4.22452             3.35461            12.72927
     C            -4.86755             2.33944            12.02306
     C            -5.25676             1.19857            12.72780
     C            -5.39982             0.00008            12.02351
     C            -5.25685            -1.19839            12.72780
     C            -4.86779            -2.33916            12.02289
     C            -4.22478            -3.35462            12.72902
     C            -3.38931            -4.21184            12.02117
     C            -2.38329            -4.85388            12.73160
     C            -1.26586            -5.27393            12.02311
     C            -0.07826            -5.43268            12.73655
     C             1.12733            -5.35433            12.02296
     C             2.31501            -5.05750            12.73434
     C             3.42231            -4.59599            12.02377
     C             4.21601            -3.66580            12.69191
     C             4.30665            -2.38561            12.06018
     C             4.18231            -1.31165            12.90414
     C             5.08086            -0.00696            14.90499
     C             4.82664             1.21499            14.17482
     C             4.83253             2.44784            14.87154
     C             4.30045             3.55691            14.12762
     C             3.42666             4.36970            14.88779
     C             2.33743             4.91233            14.13734
     C             1.19761             5.33960            14.87789
     C            -0.03039             5.41537            14.14729
     C            -1.25080             5.33111            14.88347
     C            -2.36720             4.85721            14.13739
     C            -3.42107             4.26336            14.87947
     C            -4.22206             3.35745            14.13400
     C            -4.92286             2.36741            14.87638
     C            -5.25718             1.19900            14.13408
     C            -5.46199             0.00011            14.87598
     C            -5.25733            -1.19867            14.13407
     C            -4.92337            -2.36674            14.87646
     C            -4.22362            -3.35643            14.13378
     C            -3.42362            -4.26261            14.87940
     C            -2.37008            -4.85826            14.13578
     C            -1.25055            -5.33404            14.88177
     C            -0.02717            -5.41931            14.14778
     C             1.19261            -5.34344            14.88158
     C             2.32499            -4.93860            14.14037
     C             3.42307            -4.42377            14.88694
     C             4.33058            -3.61734            14.11685
     C             4.80915            -2.46822            14.89170
     C             4.73663            -1.22642            14.19134
     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            -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             5.70752            -0.00708            10.57512
     C             5.74682             0.00202            12.16267
     C             7.06990            -0.17030             9.97708
     H             7.25955            -0.52939             8.98980
     C             8.33051             0.25687            10.51599
     H             9.45377             0.17037            10.12818
     C             8.35505            -0.27005            12.10963
     H             9.42609            -0.13065            12.44218
     C             7.11016             0.16333            12.72719
     H             7.31225             0.52647            13.69662
          178
 Energy:   -1196.487874696427    
     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             4.92304             0.00055             7.70198
     C             4.59032             1.20271             8.38300
     C             4.80650             2.46460             7.78952
     C             4.34273             3.64448             8.46188
     C             3.45420             4.49645             7.79480
     C             2.35256             5.05104             8.49023
     C             1.17496             5.33988             7.78817
     C            -0.03330             5.47231             8.47414
     C            -1.23630             5.33484             7.79448
     C            -2.39429             4.91558             8.46567
     C            -3.42782             4.25982             7.78948
     C            -4.27558             3.38278             8.47222
     C            -4.92425             2.35633             7.78984
     C            -5.30917             1.20545             8.47362
     C            -5.45605            -0.00057             7.79157
     C            -5.30854            -1.20670             8.47349
     C            -4.92296            -2.35745             7.78986
     C            -4.27391            -3.38280             8.47166
     C            -3.42828            -4.25769             7.78796
     C            -2.39614            -4.91226             8.46488
     C            -1.23379            -5.33264             7.79673
     C            -0.01956            -5.46725             8.47433
     C             1.19034            -5.32904             7.78689
     C             2.34438            -5.00888             8.47661
     C             3.41411            -4.45373             7.78038
     C             4.32379            -3.63243             8.48283
     C             4.81878            -2.45024             7.79012
     C             4.70530            -1.18957             8.40676
     C             3.97400             0.00767            10.53576
     C             3.93441             1.23401             9.69398
     C             4.07614             2.37960            10.57217
     C             4.20775             3.62335             9.90839
     C             3.42204             4.62734            10.61521
     C             2.31572             5.12051             9.89688
     C             1.13671             5.28735            10.61321
     C            -0.05519             5.42269             9.88529
     C            -1.24551             5.18990            10.61589
     C            -2.39659             4.83948             9.88166
     C            -3.34867             4.12359            10.61903
     C            -4.22520             3.32640             9.88303
     C            -4.78022             2.28120            10.61979
     C            -5.23555             1.18641             9.88589
     C            -5.29253            -0.00021            10.61920
     C            -5.23540            -1.18667             9.88581
     C            -4.78002            -2.28136            10.61958
     C            -4.22439            -3.32657             9.88206
     C            -3.34495            -4.12521            10.61698
     C            -2.38771            -4.83975             9.88127
     C            -1.23919            -5.18755            10.61240
     C            -0.06468            -5.41464             9.88359
     C             1.10982            -5.27804            10.62568
     C             2.29970            -5.09273             9.88434
     C             3.42014            -4.61594            10.60171
     C             4.18643            -3.60483             9.93901
     C             4.14156            -2.35067            10.60886
     C             4.09573            -1.22321             9.70639
     C             4.04289            -0.00629            12.06971
     C             4.09496             1.24618            12.91744
     C             4.14607             2.36790            12.01876
     C             4.18597             3.60972            12.69959
     C             3.41804             4.61478            12.04161
     C             2.29887             5.09160            12.75807
     C             1.10997             5.27794            12.01606
     C            -0.06437             5.41455            12.75818
     C            -1.23908             5.18756            12.02964
     C            -2.38768             4.83979            12.76079
     C            -3.34495             4.12528            12.02504
     C            -4.22438             3.32661            12.75994
     C            -4.77999             2.28138            12.02242
     C            -5.23537             1.18668            12.75619
     C            -5.29252             0.00020            12.02279
     C            -5.23556            -1.18642            12.75610
     C            -4.78023            -2.28121            12.02220
     C            -4.22516            -3.32639            12.75897
     C            -3.34859            -4.12356            12.02299
     C            -2.39648            -4.83941            12.76038
     C            -1.24549            -5.18980            12.02612
     C            -0.05531            -5.42257            12.75657
     C             1.13656            -5.28776            12.02853
     C             2.31644            -5.12071            12.74542
     C             3.42039            -4.62424            12.02731
     C             4.20195            -3.62317            12.72975
     C             4.08309            -2.38313            12.05846
     C             3.96673            -1.22233            12.92510
     C             4.92023             0.00215            14.93510
     C             4.70283             1.19388            14.23423
     C             4.81605             2.44777            14.85222
     C             4.32156             3.62883            14.15832
     C             3.41432             4.45173            14.86121
     C             2.34475             5.00849            14.16552
     C             1.19028             5.32915            14.85508
     C            -0.01984             5.46719            14.16754
     C            -1.23395             5.33256            14.84530
     C            -2.39616             4.91225            14.17713
     C            -3.42824             4.25773            14.85406
     C            -4.27385             3.38286            14.17034
     C            -4.92291             2.35749            14.85214
     C            -5.30849             1.20672            14.16851
     C            -5.45604             0.00058            14.85042
     C            -5.30918            -1.20546            14.16837
     C            -4.92422            -2.35636            14.85215
     C            -4.27552            -3.38277            14.16977
     C            -3.42779            -4.25975            14.85255
     C            -2.39433            -4.91546            14.17634
     C            -1.23641            -5.33476            14.84752
     C            -0.03327            -5.47216            14.16775
     C             1.17502            -5.33972            14.85391
     C             2.35292            -5.05181            14.15244
     C             3.45539            -4.49596            14.84651
     C             4.33701            -3.63566            14.17681
     C             4.79953            -2.45890            14.85487
     C             4.59757            -1.20007            14.25417
     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
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     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
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     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             5.62815            -0.11777            10.63894
     C             5.71039             0.07292            12.17438
     C             6.98346            -0.29137             9.85681
     H             6.84778            -1.04530             8.90071
     C             8.24089             0.06014            10.57199
     H             9.23683             0.01020             9.97266
     C             8.30010            -0.04980            12.06840
     H             9.20660            -0.06814            12.77240
     C             7.07822             0.26292            12.81912
     H             7.05160             0.99768            13.77477
          178
 Energy:   -1195.594363610416    
     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             4.81793             0.01741             7.75664
     C             4.37638             1.21007             8.45625
     C             4.77479             2.41321             7.80018
     C             4.36328             3.62209             8.51119
     C             3.49406             4.50741             7.74127
     C             2.41504             5.19159             8.46345
     C             1.18509             5.37334             7.76958
     C            -0.03822             5.52281             8.50004
     C            -1.25270             5.34904             7.76145
     C            -2.42193             4.97361             8.48761
     C            -3.43501             4.28289             7.76138
     C            -4.32508             3.42319             8.48301
     C            -4.94658             2.36325             7.75744
     C            -5.37000             1.21397             8.48842
     C            -5.47782            -0.00081             7.75758
     C            -5.36926            -1.21489             8.48835
     C            -4.94647            -2.36204             7.75677
     C            -4.32601            -3.42092             8.48314
     C            -3.43455            -4.28222             7.76196
     C            -2.41369            -4.97353             8.48668
     C            -1.23990            -5.34765             7.76196
     C            -0.03704            -5.51456             8.49569
     C             1.15653            -5.36286             7.75298
     C             2.36662            -5.15315             8.47775
     C             3.46926            -4.47840             7.77683
     C             4.36021            -3.61382             8.51492
     C             4.80335            -2.44942             7.78186
     C             4.48876            -1.23585             8.45637
     C             4.14953            -0.02585            10.43887
     C             3.84453             1.23480             9.73957
     C             3.90811             2.34105            10.54871
     C             4.12504             3.60235             9.90271
     C             3.49940             4.67152            10.58106
     C             2.36293             5.17899             9.88798
     C             1.14954             5.29341            10.61266
     C            -0.04124             5.39148             9.89843
     C            -1.21133             5.17274            10.60283
     C            -2.36172             4.83393             9.88866
     C            -3.33319             4.11628            10.60065
     C            -4.21486             3.30755             9.88300
     C            -4.76621             2.25859            10.60398
     C            -5.21319             1.17033             9.88186
     C            -5.26579            -0.00032            10.60527
     C            -5.21268            -1.17137             9.88164
     C            -4.76435            -2.26086            10.60337
     C            -4.21063            -3.30931             9.88271
     C            -3.33061            -4.11485            10.59839
     C            -2.36854            -4.82669             9.88619
     C            -1.23205            -5.16841            10.60947
     C            -0.05289            -5.38585             9.89718
     C             1.15467            -5.28279            10.60457
     C             2.35343            -5.14890             9.89572
     C             3.48729            -4.64185            10.58958
     C             4.14035            -3.57964             9.90882
     C             3.96318            -2.35271            10.57543
     C             3.81816            -1.29517             9.70609
     C             4.26141             0.04746            12.15905
     C             3.82551             1.27823            12.89712
     C             3.95545             2.36341            12.04813
     C             4.14419             3.59273            12.72651
     C             3.48388             4.65624            12.04821
     C             2.34972             5.14881            12.74759
     C             1.15346             5.28253            12.03794
     C            -0.05344             5.38596            12.74472
     C            -1.23210             5.16836            12.03230
     C            -2.36839             4.82670            12.75574
     C            -3.33058             4.11493            12.04365
     C            -4.21061             3.30936            12.75932
     C            -4.76432             2.26090            12.03864
     C            -5.21264             1.17138            12.76037
     C            -5.26578             0.00033            12.03675
     C            -5.21321            -1.17034            12.76014
     C            -4.76621            -2.25859            12.03803
     C            -4.21482            -3.30751            12.75902
     C            -3.33318            -4.11618            12.04138
     C            -2.36177            -4.83374            12.75332
     C            -1.21142            -5.17258            12.03896
     C            -0.04117            -5.39157            12.74361
     C             1.14985            -5.29417            12.03019
     C             2.36143            -5.17930            12.75407
     C             3.49442            -4.67062            12.05651
     C             4.12291            -3.59583            12.73259
     C             3.91762            -2.33055            12.07639
     C             3.89364            -1.22151            12.87577
     C             4.82090            -0.00977            14.88333
     C             4.47499             1.24012            14.16974
     C             4.79724             2.45642            14.85868
     C             4.35685             3.61542            14.12222
     C             3.46713             4.47696            14.86499
     C             2.36633             5.15200            14.16519
     C             1.15697             5.36289            14.88922
     C            -0.03658             5.51460            14.14623
     C            -1.23988             5.34766            14.87991
     C            -2.41389             4.97348            14.15529
     C            -3.43467             4.28215            14.88008
     C            -4.32601             3.42090            14.15887
     C            -4.94642             2.36205            14.88523
     C            -5.36921             1.21490            14.15366
     C            -5.47780             0.00081            14.88441
     C            -5.37000            -1.21397            14.15358
     C            -4.94659            -2.36322            14.88457
     C            -4.32510            -3.42310            14.15898
     C            -3.43510            -4.28278            14.88066
     C            -2.42196            -4.97353            14.15439
     C            -1.25251            -5.34898            14.88043
     C            -0.03797            -5.52248            14.14208
     C             1.18551            -5.37352            14.87272
     C             2.41641            -5.19293            14.17838
     C             3.49340            -4.50341            14.89863
     C             4.35062            -3.61351            14.12747
     C             4.76811            -2.41260            14.84089
     C             4.39118            -1.20376            14.17596
     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            -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             5.77212            -0.16970            10.76715
     C             5.90648             0.07285            12.10777
     C             6.78273            -0.37712             9.99136
     H             6.81224            -0.92169             8.84907
     C             8.03642            -0.30639            10.67351
     H             8.82073             0.02451            10.08066
     C             8.09851             0.30907            11.99346
     H             9.04148            -0.07431            12.41116
     C             6.97683             0.36257            12.75869
     H             7.06349             0.86228            13.87920
          178
 Energy:   -1195.197831370936    
     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             4.72282            -0.03416             7.81858
     C             4.26771             1.20656             8.41128
     C             4.66492             2.42062             7.80985
     C             4.31429             3.60154             8.50638
     C             3.53293             4.51309             7.78210
     C             2.48697             5.25146             8.43700
     C             1.22829             5.48238             7.77427
     C            -0.02070             5.50943             8.47424
     C            -1.26258             5.40838             7.79636
     C            -2.42353             4.97563             8.49364
     C            -3.48046             4.33662             7.79484
     C            -4.32327             3.43193             8.48150
     C            -5.00647             2.40377             7.79202
     C            -5.37515             1.22160             8.47605
     C            -5.55247             0.00097             7.78723
     C            -5.37552            -1.21986             8.47659
     C            -5.00693            -2.40333             7.79209
     C            -4.32039            -3.43422             8.48036
     C            -3.47305            -4.33945             7.79512
     C            -2.42148            -4.97058             8.49062
     C            -1.28263            -5.40330             7.78838
     C            -0.05754            -5.50381             8.48747
     C             1.20472            -5.46393             7.79533
     C             2.45735            -5.21322             8.45751
     C             3.51401            -4.50994             7.77104
     C             4.33011            -3.61696             8.50549
     C             4.74027            -2.44163             7.81648
     C             4.26406            -1.25176             8.40883
     C             4.28780            -0.04602            10.51310
     C             3.90538             1.16576             9.83278
     C             3.79292             2.35498            10.64031
     C             4.05282             3.55929             9.94874
     C             3.55028             4.74002            10.60861
     C             2.44994             5.27819             9.88863
     C             1.23283             5.35683            10.61930
     C            -0.00281             5.38464             9.90492
     C            -1.20298             5.19923            10.63244
     C            -2.34381             4.84278             9.90835
     C            -3.33485             4.17253            10.62897
     C            -4.20078             3.34158             9.90145
     C            -4.80273             2.30019            10.62852
     C            -5.22563             1.18313             9.89536
     C            -5.31875            -0.00173            10.63014
     C            -5.22417            -1.18538             9.89557
     C            -4.80211            -2.29881            10.62779
     C            -4.20477            -3.33414             9.89967
     C            -3.34788            -4.16410            10.63326
     C            -2.35268            -4.84090             9.90911
     C            -1.19974            -5.20351            10.63234
     C            -0.00298            -5.37923             9.91212
     C             1.22065            -5.34915            10.61779
     C             2.44178            -5.23919             9.90074
     C             3.53983            -4.72968            10.62762
     C             4.11460            -3.61748             9.95646
     C             3.75637            -2.39290            10.59632
     C             3.77223            -1.19063             9.80747
     C             4.27529             0.04175            12.22449
     C             3.81498             1.20062            12.81351
     C             3.74145             2.38781            12.02656
     C             4.10971             3.61202            12.67220
     C             3.54770             4.74332            12.00972
     C             2.43910             5.24482            12.74004
     C             1.21596             5.34876            12.02420
     C            -0.00582             5.37959            12.73086
     C            -1.20089             5.20359            12.00953
     C            -2.35308             4.84076            12.73275
     C            -3.34800             4.16405            12.00866
     C            -4.20475             3.33417            12.74233
     C            -4.80207             2.29884            12.01424
     C            -5.22411             1.18540            12.74646
     C            -5.31874             0.00176            12.01189
     C            -5.22565            -1.18309            12.74666
     C            -4.80278            -2.30011            12.01350
     C            -4.20086            -3.34143            12.74059
     C            -3.33494            -4.17235            12.01295
     C            -2.34367            -4.84266            12.73346
     C            -1.20274            -5.19917            12.00961
     C            -0.00357            -5.38504            12.73757
     C             1.23067            -5.35822            12.02242
     C             2.45289            -5.27633            12.74968
     C             3.55054            -4.72297            12.02697
     C             4.04460            -3.54131            12.68393
     C             3.81336            -2.33868            11.97940
     C             3.94289            -1.16694            12.80029
     C             4.72425             0.04171            14.81156
     C             4.25018             1.25629            14.21598
     C             4.72539             2.43777            14.80558
     C             4.32769             3.62888            14.12861
     C             3.50901             4.51362            14.86855
     C             2.45310             5.21284            14.18355
     C             1.20340             5.46386            14.84757
     C            -0.05767             5.50404            14.15502
     C            -1.28225             5.40337            14.85361
     C            -2.42122             4.97068            14.15129
     C            -3.47309             4.33948            14.84682
     C            -4.32051             3.43412            14.16164
     C            -5.00696             2.40323            14.84994
     C            -5.37549             1.21981            14.16541
     C            -5.55244            -0.00095            14.85479
     C            -5.37518            -1.22153            14.16596
     C            -5.00654            -2.40366            14.85001
     C            -4.32333            -3.43185            14.16053
     C            -3.48041            -4.33666            14.84708
     C            -2.42331            -4.97560            14.14832
     C            -1.26231            -5.40809            14.84582
     C            -0.02013            -5.50919            14.16808
     C             1.22933            -5.48352            14.86719
     C             2.48604            -5.25259            14.20324
     C             3.52405            -4.50893            14.85795
     C             4.30320            -3.59406            14.12845
     C             4.66214            -2.41107            14.82443
     C             4.28778            -1.20036            14.21002
     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            -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             5.71406            -0.21216            10.65359
     C             5.86090             0.12196            12.20900
     C             6.76181            -0.59862            10.05210
     H             6.70851            -0.34009             8.92317
     C             7.93107            -0.41687            10.72339
     H             8.75455            -0.81634            10.18576
     C             8.09362             0.40379            11.88706
     H             9.02205             0.96099            12.28259
     C             6.96972             0.54555            12.76032
     H             7.04094             0.39248            13.92920
          178
 Energy:   -1194.426751069145    
     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             4.63450            -0.02973             7.72204
     C             4.29362             1.15209             8.46396
     C             4.55346             2.38383             7.76909
     C             4.20842             3.56437             8.56329
     C             3.50787             4.55866             7.77197
     C             2.49962             5.29167             8.48254
     C             1.29073             5.56771             7.77845
     C             0.03856             5.49997             8.49259
     C            -1.23652             5.43516             7.79551
     C            -2.39831             4.97037             8.50817
     C            -3.49748             4.37750             7.79431
     C            -4.31178             3.43973             8.51775
     C            -5.03905             2.43283             7.79342
     C            -5.37294             1.23253             8.50778
     C            -5.59741             0.00087             7.79355
     C            -5.37272            -1.23263             8.50668
     C            -5.03770            -2.43500             7.79339
     C            -4.31152            -3.43704             8.51466
     C            -3.50812            -4.36673             7.78984
     C            -2.42670            -4.96209             8.52237
     C            -1.26270            -5.43620             7.80033
     C             0.02009            -5.49545             8.49907
     C             1.28052            -5.53809             7.79169
     C             2.50593            -5.25849             8.48233
     C             3.50928            -4.55818             7.75833
     C             4.28379            -3.64817             8.54743
     C             4.59306            -2.42207             7.81203
     C             4.14138            -1.19728             8.44477
     C             4.09189            -0.01844            10.58661
     C             4.00022             1.24561             9.83606
     C             3.74573             2.31422            10.60617
     C             4.02052             3.56065             9.96077
     C             3.59115             4.77083            10.57300
     C             2.52898             5.42126             9.87654
     C             1.29403             5.47844            10.57859
     C             0.07096             5.41503             9.88916
     C            -1.14677             5.25203            10.59240
     C            -2.34053             4.89160             9.90435
     C            -3.36762             4.24280            10.60782
     C            -4.22686             3.40080             9.90465
     C            -4.86116             2.37101            10.60247
     C            -5.28242             1.22523             9.90178
     C            -5.40982             0.00215            10.59836
     C            -5.28470            -1.21877             9.90051
     C            -4.86736            -2.36302            10.60487
     C            -4.23212            -3.39914             9.90480
     C            -3.36612            -4.24875            10.60822
     C            -2.33722            -4.89721             9.91409
     C            -1.15397            -5.25010            10.59784
     C             0.05427            -5.41443             9.89598
     C             1.28344            -5.46600            10.60897
     C             2.50472            -5.39309             9.88589
     C             3.61392            -4.82814            10.59891
     C             4.07574            -3.61922             9.95043
     C             3.63455            -2.36168            10.54136
     C             3.80698            -1.24633             9.78942
     C             4.19469             0.00665            12.06976
     C             3.81555             1.29354            12.90235
     C             3.63797             2.36858            12.08906
     C             4.05736             3.61578            12.67329
     C             3.61634             4.82809            12.03897
     C             2.51245             5.40034            12.75006
     C             1.28410             5.46549            12.03044
     C             0.05251             5.41461            12.74643
     C            -1.15680             5.25071            12.04456
     C            -2.33915             4.89710            12.72827
     C            -3.36693             4.24839            12.03358
     C            -4.23240             3.39892            12.73718
     C            -4.86740             2.36291            12.03712
     C            -5.28465             1.21877            12.74151
     C            -5.40981            -0.00205            12.04364
     C            -5.28248            -1.22507            12.74025
     C            -4.86128            -2.37087            12.03954
     C            -4.22686            -3.40078            12.73728
     C            -3.36746            -4.24277            12.03409
     C            -2.34059            -4.89147            12.73758
     C            -1.14707            -5.25210            12.04972
     C             0.07188            -5.41615            12.75263
     C             1.29887            -5.47914            12.06220
     C             2.53590            -5.41241            12.75888
     C             3.57983            -4.74841            12.06223
     C             4.01179            -3.55144            12.67164
     C             3.77340            -2.31840            12.02745
     C             3.94331            -1.27875            12.87105
     C             4.63074             0.03139            14.90077
     C             4.14916             1.21677            14.22952
     C             4.58767             2.43330            14.84342
     C             4.27956             3.64470            14.07977
     C             3.50837             4.56421            14.87899
     C             2.49966             5.26313            14.15505
     C             1.27571             5.53843            14.84897
     C             0.01667             5.49617            14.14371
     C            -1.26421             5.43614            14.84257
     C            -2.42686             4.96193            14.11983
     C            -3.50786             4.36686            14.85209
     C            -4.31144             3.43718            14.12734
     C            -5.03773             2.43501            14.84861
     C            -5.37273             1.23259            14.13532
     C            -5.59742            -0.00086            14.84849
     C            -5.37299            -1.23248            14.13425
     C            -5.03908            -2.43284            14.84857
     C            -4.31172            -3.43980            14.12427
     C            -3.49729            -4.37757            14.84760
     C            -2.39793            -4.97019            14.13367
     C            -1.23618            -5.43464            14.84658
     C             0.03776            -5.50057            14.14950
     C             1.28902            -5.57069            14.86194
     C             2.49801            -5.29046            14.15304
     C             3.50293            -4.54725            14.86369
     C             4.20008            -3.55247            14.07359
     C             4.56109            -2.38671            14.87870
     C             4.30869            -1.17219            14.20465
     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            -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             5.72504            -0.23416            10.84598
     C             5.80323             0.22546            12.18886
     C             6.84279            -0.69555             9.88842
     H             7.06379            -0.94738             8.85636
     C             8.14156            -0.50241            10.77415
     H             8.74420            -1.40024            10.94369
     C             8.19210             0.49590            11.85503
     H             8.69684             1.39135            11.48528
     C             7.05439             0.57495            12.74604
     H             7.29965             0.84759            13.80454
          178
 Energy:   -1194.818738336656    
     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             4.58341            -0.00494             7.67037
     C             4.44917             1.16709             8.44752
     C             4.50216             2.35844             7.78327
     C             4.09641             3.51539             8.49137
     C             3.47178             4.53566             7.77686
     C             2.51250             5.38088             8.44940
     C             1.27678             5.56483             7.75235
     C             0.07422             5.55398             8.46634
     C            -1.16341             5.37809             7.78310
     C            -2.36025             5.00528             8.47038
     C            -3.44286             4.35653             7.78024
     C            -4.33337             3.48436             8.47028
     C            -4.99245             2.41863             7.78350
     C            -5.41670             1.24682             8.48245
     C            -5.54705            -0.00121             7.79133
     C            -5.41723            -1.24517             8.48029
     C            -4.99713            -2.40902             7.78092
     C            -4.35003            -3.46874             8.47971
     C            -3.46140            -4.34788             7.78572
     C            -2.37817            -5.01608             8.47509
     C            -1.16902            -5.38312             7.79559
     C             0.08799            -5.54277             8.46658
     C             1.28589            -5.53395             7.73699
     C             2.49470            -5.37135             8.46060
     C             3.50908            -4.58055             7.78301
     C             4.23012            -3.60014             8.49892
     C             4.46205            -2.40363             7.77111
     C             4.23229            -1.19483             8.35924
     C             4.13903            -0.06092            10.50172
     C             3.98500             1.22439             9.78919
     C             3.77970             2.40043            10.63993
     C             3.97304             3.60588             9.94220
     C             3.61647             4.81681            10.61608
     C             2.58634             5.52539             9.90680
     C             1.34454             5.65136            10.61575
     C             0.11447             5.48573             9.89577
     C            -1.10068             5.29467            10.61107
     C            -2.30393             4.96732             9.91396
     C            -3.38609             4.33688            10.62104
     C            -4.28823             3.46445             9.91396
     C            -4.94466             2.41409            10.62917
     C            -5.36469             1.24746             9.92516
     C            -5.50409             0.00644            10.62601
     C            -5.36899            -1.23991             9.92501
     C            -4.94521            -2.41868            10.62702
     C            -4.28594            -3.47276             9.91973
     C            -3.38909            -4.33682            10.62718
     C            -2.32047            -4.96839             9.92065
     C            -1.11273            -5.29433            10.63834
     C             0.11545            -5.48731             9.91402
     C             1.33541            -5.63396            10.63361
     C             2.58196            -5.54193             9.91893
     C             3.65570            -4.83866            10.60766
     C             3.98916            -3.62910             9.92530
     C             3.69459            -2.43576            10.60952
     C             3.74946            -1.26531             9.73062
     C             4.15043             0.05264            12.20509
     C             3.76332             1.23544            12.91438
     C             3.68980             2.43164            12.06111
     C             3.98692             3.65047            12.72667
     C             3.64415             4.84680            12.01890
     C             2.58086             5.55169            12.71582
     C             1.33814             5.63569            12.00750
     C             0.11918             5.48701            12.72528
     C            -1.11249             5.29555            12.00381
     C            -2.32226             4.96929            12.72188
     C            -3.39070             4.33667            12.01484
     C            -4.28685             3.47227            12.72243
     C            -4.94557             2.41828            12.01492
     C            -5.36909             1.23977            12.71704
     C            -5.50414            -0.00641            12.01593
     C            -5.36475            -1.24746            12.71681
     C            -4.94463            -2.41421            12.01282
     C            -4.28808            -3.46460            12.72782
     C            -3.38582            -4.33688            12.02079
     C            -2.30320            -4.96754            12.72807
     C            -1.09744            -5.29522            12.03146
     C             0.11995            -5.48769            12.74322
     C             1.34379            -5.65190            12.02299
     C             2.57614            -5.51706            12.73260
     C             3.60388            -4.82095            12.01133
     C             3.99204            -3.62665            12.71112
     C             3.74963            -2.39749            12.03089
     C             3.92609            -1.19664            12.86528
     C             4.60483            -0.00006            15.02915
     C             4.23373             1.19911            14.32277
     C             4.48402             2.42529            14.90968
     C             4.21477             3.59333            14.14580
     C             3.51197             4.58261            14.84979
     C             2.49911             5.37932            14.17605
     C             1.28450             5.53534            14.90218
     C             0.08293             5.54356            14.17293
     C            -1.17275             5.38346            14.84630
     C            -2.38100             5.01561            14.16755
     C            -3.46232             4.34716            14.85689
     C            -4.35014             3.46863            14.16237
     C            -4.99706             2.40922            14.86105
     C            -5.41724             1.24530            14.16174
     C            -5.54711             0.00121            14.85067
     C            -5.41673            -1.24693            14.15958
     C            -4.99236            -2.41881            14.85842
     C            -4.33321            -3.48449            14.17151
     C            -3.44272            -4.35640            14.86181
     C            -2.36039            -5.00469            14.17175
     C            -1.16414            -5.37782            14.85851
     C             0.07351            -5.55642            14.17279
     C             1.27980            -5.56673            14.88721
     C             2.51311            -5.37115            14.18954
     C             3.46537            -4.52988            14.86279
     C             4.09640            -3.51735            14.15169
     C             4.52556            -2.38881            14.88352
     C             4.39655            -1.16403            14.23755
     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            -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             5.76834            -0.33300            10.71382
     C             5.86754             0.34714            12.24532
     C             7.00129            -0.65202            10.05923
     H             6.81109            -1.38405             9.37079
     C             8.24466            -0.67136            10.77840
     H             8.79200            -1.49770            11.30316
     C             8.20673             0.59234            11.71268
     H             8.54469             1.59004            11.47019
     C             7.17758             0.58981            12.69668
     H             7.19493             1.26653            13.42418
          178
 Energy:   -1196.091173898869    
     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             4.74568            -0.01595             7.67755
     C             4.50761             1.19729             8.43940
     C             4.60119             2.42490             7.73368
     C             4.01886             3.50907             8.50404
     C             3.41372             4.50323             7.73514
     C             2.55110             5.44092             8.42827
     C             1.28014             5.55034             7.75976
     C             0.06029             5.60969             8.48740
     C            -1.14026             5.31344             7.77162
     C            -2.31304             5.01328             8.48793
     C            -3.36464             4.32202             7.78529
     C            -4.34088             3.51859             8.47979
     C            -4.93510             2.39794             7.78510
     C            -5.43960             1.25320             8.49375
     C            -5.48347             0.00693             7.78529
     C            -5.44690            -1.23949             8.49919
     C            -4.94451            -2.38930             7.78810
     C            -4.34983            -3.52040             8.48514
     C            -3.36963            -4.33276             7.79224
     C            -2.30786            -5.03448             8.48628
     C            -1.12198            -5.31576             7.76641
     C             0.06735            -5.58980             8.50223
     C             1.28176            -5.53492             7.77917
     C             2.56020            -5.46233             8.44376
     C             3.49760            -4.59063             7.74001
     C             4.09293            -3.55315             8.49402
     C             4.51910            -2.41146             7.68033
     C             4.25986            -1.20180             8.35494
     C             4.33154            -0.09089            10.51072
     C             3.99282             1.19149             9.82723
     C             3.88845             2.38245            10.60852
     C             3.94906             3.64125             9.88622
     C             3.60624             4.85609            10.58606
     C             2.59495             5.61200             9.87492
     C             1.36948             5.83258            10.58567
     C             0.13824             5.62604             9.89772
     C            -1.07955             5.33223            10.59145
     C            -2.29644             5.02169             9.88900
     C            -3.40353             4.41345            10.57515
     C            -4.34765             3.54382             9.89467
     C            -5.02330             2.45643            10.58777
     C            -5.46268             1.25172             9.90571
     C            -5.58743            -0.00547            10.59489
     C            -5.46091            -1.25852             9.90822
     C            -5.02364            -2.45338            10.58720
     C            -4.35979            -3.53582             9.90211
     C            -3.41604            -4.40955            10.59506
     C            -2.29956            -5.03491             9.90036
     C            -1.07505            -5.33909            10.59532
     C             0.13959            -5.61291             9.90237
     C             1.38997            -5.83446            10.58983
     C             2.62943            -5.64604             9.87493
     C             3.59363            -4.86307            10.57146
     C             3.96718            -3.65704             9.89428
     C             3.81314            -2.41345            10.57757
     C             3.77065            -1.25192             9.76061
     C             4.39368             0.07884            12.10742
     C             3.77118             1.27504            12.95505
     C             3.81777             2.40297            12.10136
     C             3.97191             3.65085            12.77064
     C             3.59616             4.85963            12.07676
     C             2.62288             5.65807            12.75852
     C             1.38069             5.84222            12.04270
     C             0.13840             5.61283            12.73668
     C            -1.07402             5.33885            12.04650
     C            -2.29921             5.03660            12.74101
     C            -3.41666             4.41069            12.04692
     C            -4.36073             3.53589            12.74005
     C            -5.02430             2.45305            12.05472
     C            -5.46132             1.25814            12.73387
     C            -5.58757             0.00507            12.04711
     C            -5.46266            -1.25217            12.73611
     C            -5.02302            -2.45683            12.05408
     C            -4.34714            -3.54428            12.74720
     C            -3.40148            -4.41413            12.06705
     C            -2.29307            -5.02204            12.75247
     C            -1.07884            -5.33166            12.04966
     C             0.13171            -5.62859            12.74437
     C             1.35715            -5.83307            12.04920
     C             2.58207            -5.60987            12.76208
     C             3.62521            -4.87287            12.06035
     C             3.96801            -3.64579            12.76593
     C             3.81038            -2.37553            12.07658
     C             3.95316            -1.21937            12.88123
     C             4.71963             0.01195            14.99193
     C             4.26929             1.18580            14.30678
     C             4.53026             2.39271            14.92928
     C             4.09460             3.56052            14.17323
     C             3.48956             4.59408            14.92246
     C             2.56488             5.47251            14.19614
     C             1.28682             5.53831            14.86108
     C             0.07239             5.58954            14.13771
     C            -1.12214             5.31720            14.87356
     C            -2.31133             5.03549            14.15529
     C            -3.37215             4.33189            14.84995
     C            -4.35141             3.51924            14.15704
     C            -4.94496             2.38862            14.85423
     C            -5.44701             1.23935            14.14289
     C            -5.48349            -0.00697            14.85665
     C            -5.43959            -1.25332            14.14812
     C            -4.93502            -2.39801            14.85684
     C            -4.34090            -3.51851            14.16207
     C            -3.36479            -4.32159            14.85671
     C            -2.31253            -5.01307            14.15347
     C            -1.13750            -5.31517            14.86872
     C             0.06444            -5.61311            14.15422
     C             1.27881            -5.54774            14.88378
     C             2.54103            -5.43168            14.21106
     C             3.40832            -4.51282            14.92016
     C             4.05486            -3.54397            14.15835
     C             4.59566            -2.40921            14.88368
     C             4.41458            -1.18914            14.24548
     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            -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             5.81554            -0.23071            10.76645
     C             5.92693             0.25339            12.11468
     C             7.01625            -0.81305            10.28214
     H             7.00732            -1.59784             9.49525
     C             8.23385            -0.58580            10.94397
     H             8.90851            -1.49647            10.72667
     C             8.23895             0.57006            11.55465
     H             8.97628             1.32631            11.34258
     C             7.15630             0.73118            12.57746
     H             7.38801             1.34706            13.38651
          178
 Energy:   -1196.113906968960    
     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             4.95603            -0.00169             7.79383
     C             4.51677             1.20729             8.45800
     C             4.69741             2.44811             7.83219
     C             4.07121             3.54682             8.47794
     C             3.39085             4.52132             7.75575
     C             2.52970             5.42343             8.41157
     C             1.28337             5.59575             7.78294
     C             0.07073             5.62757             8.49074
     C            -1.13869             5.33868             7.79027
     C            -2.30428             4.93875             8.48902
     C            -3.35883             4.29729             7.79775
     C            -4.29429             3.50149             8.48831
     C            -4.92796             2.41558             7.80700
     C            -5.39452             1.25044             8.48094
     C            -5.48757             0.00651             7.79601
     C            -5.39965            -1.24397             8.48016
     C            -4.93074            -2.42266             7.81336
     C            -4.29051            -3.51888             8.48682
     C            -3.34818            -4.32049             7.79693
     C            -2.29294            -4.95206             8.49832
     C            -1.13633            -5.32944             7.79221
     C             0.07428            -5.60305             8.49515
     C             1.30701            -5.58607             7.79517
     C             2.60385            -5.48998             8.38911
     C             3.47372            -4.58550             7.72388
     C             4.02468            -3.55854             8.46604
     C             4.57821            -2.42958             7.84371
     C             4.30243            -1.17364             8.40986
     C             4.35143            -0.02876            10.49038
     C             4.15439             1.22263             9.78113
     C             4.00458             2.34467            10.63766
     C             3.94558             3.58056             9.93966
     C             3.53386             4.84252            10.59492
     C             2.60718             5.67270             9.82287
     C             1.38294             6.01082            10.58637
     C             0.09566             5.79376             9.91360
     C            -1.08340             5.40421            10.62611
     C            -2.30019             5.03194             9.92359
     C            -3.44570             4.45275            10.61409
     C            -4.39439             3.58980             9.91831
     C            -5.09421             2.49921            10.60233
     C            -5.52824             1.28036             9.91288
     C            -5.66993            -0.00161            10.61202
     C            -5.52978            -1.27883             9.91652
     C            -5.09804            -2.49408            10.61618
     C            -4.39676            -3.59517             9.92238
     C            -3.43672            -4.46433            10.61361
     C            -2.29733            -5.04910             9.92372
     C            -1.07577            -5.40557            10.61608
     C             0.12404            -5.77529             9.91740
     C             1.38952            -6.03698            10.57332
     C             2.61493            -5.70620             9.82368
     C             3.54215            -4.86825            10.62299
     C             3.95485            -3.63147             9.89741
     C             3.89646            -2.38710            10.60337
     C             4.00152            -1.23801             9.76951
     C             4.42743             0.01267            12.16807
     C             4.01134             1.19794            12.84615
     C             3.93599             2.39907            12.07122
     C             3.95331             3.64164            12.77071
     C             3.54362             4.84604            12.04708
     C             2.62459             5.70193            12.82791
     C             1.39543             6.04329            12.06172
     C             0.12133             5.77851            12.72110
     C            -1.08001             5.40364            12.02316
     C            -2.29887             5.04929            12.71663
     C            -3.43757             4.46504            12.02871
     C            -4.39751             3.59568            12.71950
     C            -5.09868             2.49417            12.02562
     C            -5.53037             1.27841            12.72542
     C            -5.67009             0.00087            12.02996
     C            -5.52809            -1.28115            12.72903
     C            -5.09338            -2.50013            12.03950
     C            -4.39281            -3.59076            12.72367
     C            -3.44408            -4.45194            12.02810
     C            -2.30182            -5.02967            12.71855
     C            -1.09150            -5.40366            12.01299
     C             0.08942            -5.79892            12.72770
     C             1.38560            -6.00229            12.04535
     C             2.61207            -5.67531            12.82505
     C             3.56120            -4.85968            12.07685
     C             3.93511            -3.60575            12.72367
     C             3.94139            -2.36887            12.03779
     C             4.12824            -1.20126            12.84210
     C             4.87418            -0.00655            14.82796
     C             4.30042             1.17441            14.23680
     C             4.59520             2.43011            14.84313
     C             4.04846             3.56069            14.18216
     C             3.47626             4.58476            14.91246
     C             2.60367             5.49466            14.26262
     C             1.30625             5.59492            14.84914
     C             0.07703             5.60218            14.14481
     C            -1.13064             5.32986            14.84907
     C            -2.28938             4.95618            14.14278
     C            -3.34834             4.32248            14.84351
     C            -4.29245             3.51855            14.15523
     C            -4.93203             2.42139            14.82875
     C            -5.40032             1.24279            14.16179
     C            -5.48763            -0.00719            14.84604
     C            -5.39448            -1.25066            14.16088
     C            -4.92804            -2.41548            14.83500
     C            -4.29389            -3.50178            14.15375
     C            -3.35652            -4.29815            14.84337
     C            -2.30032            -4.93974            14.15271
     C            -1.13968            -5.34087            14.85377
     C             0.06218            -5.62986            14.15329
     C             1.27401            -5.59034            14.86024
     C             2.51845            -5.41985            14.23003
     C             3.41340            -4.53791            14.88081
     C             4.12951            -3.57417            14.15881
     C             4.66706            -2.45081            14.85995
     C             4.43138            -1.19994            14.21342
     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            -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             5.99360            -0.19768            10.76477
     C             6.12837             0.24596            12.14377
     C             6.95656            -1.10482            10.39342
     H             7.06743            -1.67278             9.42220
     C             8.18667            -0.65481            10.92220
     H             9.28184            -0.64793            10.51153
     C             8.30655             0.65934            11.67589
     H             9.31505             1.07115            11.69002
     C             7.23672             0.96042            12.36098
     H             7.30003             1.25399            13.40738
          178
 Energy:   -1197.211010467060    
     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             5.01126            -0.00092             7.85825
     C             4.66743             1.23161             8.46982
     C             4.73373             2.44391             7.78859
     C             4.21013             3.59511             8.58508
     C             3.46398             4.51142             7.76976
     C             2.48393             5.39217             8.43924
     C             1.25885             5.63807             7.72265
     C             0.05960             5.68586             8.50612
     C            -1.16814             5.39030             7.80314
     C            -2.29009             4.87940             8.53578
     C            -3.37973             4.28539             7.78052
     C            -4.27755             3.44792             8.53052
     C            -4.94909             2.42101             7.78358
     C            -5.35460             1.24664             8.51224
     C            -5.50717            -0.01106             7.79074
     C            -5.34816            -1.26539             8.51122
     C            -4.94045            -2.43552             7.78118
     C            -4.27188            -3.46233             8.53132
     C            -3.38202            -4.29176             7.77981
     C            -2.29583            -4.87701             8.53216
     C            -1.15289            -5.37850             7.80977
     C             0.11370            -5.65919             8.49320
     C             1.30313            -5.64473             7.69986
     C             2.54683            -5.49524             8.40017
     C             3.46543            -4.55890             7.75653
     C             4.09841            -3.58511             8.56716
     C             4.62508            -2.40627             7.77507
     C             4.55661            -1.18478             8.47579
     C             4.50599             0.02386            10.53461
     C             4.31457             1.26955             9.84894
     C             4.10069             2.37674            10.61169
     C             3.94528             3.60709             9.96570
     C             3.44115             4.75126            10.61390
     C             2.57487             5.65414             9.87908
     C             1.38414             6.17211            10.59419
     C             0.07643             5.92087             9.92760
     C            -1.14129             5.52342            10.60091
     C            -2.31809             4.98173             9.95839
     C            -3.47599             4.46810            10.61975
     C            -4.39996             3.57161             9.94736
     C            -5.16043             2.53279            10.60435
     C            -5.52579             1.29704             9.93184
     C            -5.74465             0.00982            10.59582
     C            -5.53085            -1.29083             9.93187
     C            -5.15459            -2.54830            10.60441
     C            -4.38446            -3.59452             9.94345
     C            -3.47187            -4.47728            10.60412
     C            -2.31004            -4.99222             9.95111
     C            -1.13007            -5.51666            10.60056
     C             0.07518            -5.90959             9.91175
     C             1.37028            -6.18232            10.58622
     C             2.60103            -5.70257             9.87866
     C             3.47691            -4.81976            10.61086
     C             3.88835            -3.64503             9.96932
     C             4.00200            -2.37401            10.58668
     C             4.19555            -1.22948             9.84094
     C             4.59666            -0.04221            12.11694
     C             4.24214             1.24931            12.78314
     C             4.06379             2.35719            12.02242
     C             3.91613             3.62691            12.69334
     C             3.45827             4.81084            12.05042
     C             2.60343             5.69180            12.78359
     C             1.38822             6.18043            12.06875
     C             0.08523             5.91410            12.72628
     C            -1.12477             5.51931            12.03783
     C            -2.31029             4.99304            12.68959
     C            -3.47454             4.47679            12.03783
     C            -4.38632             3.59422            12.69818
     C            -5.15559             2.54764            12.03788
     C            -5.53148             1.29007            12.70981
     C            -5.74473            -0.01064            12.04583
     C            -5.52540            -1.29798            12.71008
     C            -5.15952            -2.53314            12.03788
     C            -4.39997            -3.57037            12.69498
     C            -3.47825            -4.46493            12.02171
     C            -2.32086            -4.98091            12.68416
     C            -1.14014            -5.52932            12.03769
     C             0.08106            -5.92128            12.71056
     C             1.39124            -6.15777            12.05719
     C             2.58067            -5.67549            12.77981
     C             3.44618            -4.78521            12.04767
     C             3.94422            -3.61113            12.69318
     C             4.08068            -2.37234            12.00312
     C             4.30015            -1.30409            12.78969
     C             4.96110            -0.00298            14.81814
     C             4.50693             1.20810            14.14010
     C             4.61242             2.41939            14.84749
     C             4.13076             3.58643            14.10072
     C             3.48132             4.55479            14.89227
     C             2.55041             5.49015            14.24902
     C             1.30322             5.65032            14.94654
     C             0.11139             5.66344            14.14642
     C            -1.15264             5.37612            14.83362
     C            -2.29274             4.87791            14.10908
     C            -3.37835             4.29564            14.86132
     C            -4.27023             3.46572            14.11046
     C            -4.94071             2.43669            14.86005
     C            -5.34918             1.26469            14.13059
     C            -5.50756             0.00993            14.85142
     C            -5.35448            -1.24781            14.12973
     C            -4.94820            -2.42257            14.85824
     C            -4.27505            -3.44932            14.11169
     C            -3.37828            -4.28483            14.86219
     C            -2.29470            -4.87765            14.10738
     C            -1.17825            -5.39288            14.84208
     C             0.05074            -5.68865            14.13216
     C             1.25666            -5.62574            14.91616
     C             2.49476            -5.39632            14.21128
     C             3.50119            -4.53734            14.87649
     C             4.23241            -3.61415            14.08136
     C             4.68680            -2.44770            14.83610
     C             4.59035            -1.25583            14.15347
     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            -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             5.96411            -0.38888            10.72484
     C             6.17496             0.37719            12.14074
     C             7.08441            -1.22643            10.40515
     H             6.54888            -2.08573             9.87861
     C             8.30834            -0.59050            10.83494
     H             9.19229            -1.00073            10.11022
     C             8.48680             0.57426            11.70458
     H             9.44451             0.92321            12.13903
     C             7.30704             1.16864            12.45964
     H             7.35563             2.18926            13.26042
          178
 Energy:   -1197.947247928322    
     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             5.05769             0.00920             7.74280
     C             4.87530             1.25507             8.53803
     C             4.75382             2.47909             7.79159
     C             4.31465             3.62903             8.52004
     C             3.50589             4.55070             7.82210
     C             2.48682             5.35306             8.48084
     C             1.26561             5.62928             7.78347
     C             0.03012             5.80981             8.48109
     C            -1.20117             5.41032             7.81606
     C            -2.30268             4.87610             8.53056
     C            -3.36604             4.26179             7.84039
     C            -4.29791             3.42666             8.51187
     C            -4.95666             2.37749             7.80916
     C            -5.37231             1.22028             8.51514
     C            -5.48096            -0.01603             7.82494
     C            -5.36244            -1.24544             8.51652
     C            -4.94614            -2.38917             7.80678
     C            -4.30038            -3.42949             8.50442
     C            -3.36978            -4.25934             7.83257
     C            -2.28225            -4.87714             8.51478
     C            -1.15983            -5.38928             7.80802
     C             0.05206            -5.78636             8.47069
     C             1.28228            -5.69869             7.77281
     C             2.49731            -5.45055             8.47543
     C             3.45601            -4.55514             7.82722
     C             4.21121            -3.57585             8.53402
     C             4.66450            -2.43910             7.78135
     C             4.87612            -1.24806             8.52462
     C             4.57308             0.01011            10.61239
     C             4.49741             1.28631             9.86521
     C             4.18332             2.43966            10.60220
     C             4.00262             3.66884             9.92896
     C             3.31491             4.73106            10.64978
     C             2.46994             5.57363             9.91431
     C             1.34436             6.23231            10.59599
     C             0.05761             6.00471             9.91145
     C            -1.19320             5.65443            10.61166
     C            -2.31577             4.95953             9.94249
     C            -3.49461             4.42397            10.60905
     C            -4.37849             3.51509             9.92847
     C            -5.19228             2.53992            10.62248
     C            -5.49751             1.26978             9.93915
     C            -5.76625            -0.01312            10.60506
     C            -5.48962            -1.29206             9.93362
     C            -5.18969            -2.53775            10.60020
     C            -4.38481            -3.51283             9.91690
     C            -3.49591            -4.43062            10.61023
     C            -2.31641            -4.94921             9.93343
     C            -1.20273            -5.64588            10.59211
     C             0.06602            -6.00271             9.89457
     C             1.35257            -6.22036            10.59403
     C             2.50900            -5.67977             9.88187
     C             3.34161            -4.76948            10.61580
     C             3.88515            -3.59331             9.92322
     C             4.11845            -2.40021            10.62611
     C             4.36263            -1.26489             9.82435
     C             4.67949            -0.00954            12.06862
     C             4.46133             1.28267            12.81138
     C             4.17772             2.40532            11.97316
     C             3.92753             3.58568            12.67659
     C             3.34438             4.72559            12.03096
     C             2.50290             5.66245            12.76718
     C             1.34607             6.22106            12.06661
     C             0.07190             6.00208            12.75703
     C            -1.19378             5.64802            12.05138
     C            -2.30845             4.95301            12.70714
     C            -3.49170             4.43454            12.03017
     C            -4.38473             3.51471            12.72446
     C            -5.19095             2.53691            12.04257
     C            -5.49039             1.29098            12.70835
     C            -5.76623             0.01203            12.03694
     C            -5.49736            -1.26980            12.70290
     C            -5.19267            -2.53853            12.01977
     C            -4.37875            -3.51382            12.71429
     C            -3.49276            -4.42496            12.03147
     C            -2.31380            -4.96417            12.69853
     C            -1.19341            -5.65662            12.03168
     C             0.05718            -5.99242            12.73826
     C             1.32821            -6.23976            12.06631
     C             2.47940            -5.59821            12.74414
     C             3.32541            -4.73433            11.99768
     C             4.00576            -3.67262            12.67769
     C             4.19030            -2.45215            11.99111
     C             4.51359            -1.28717            12.76626
     C             5.00870            -0.01317            14.88202
     C             4.84012             1.21632            14.15702
     C             4.64630             2.43188            14.85374
     C             4.22048             3.58986            14.08425
     C             3.46685             4.56386            14.83624
     C             2.50769             5.43448            14.17879
     C             1.29007             5.69173            14.86690
     C             0.05817             5.79448            14.17789
     C            -1.16063             5.39060            14.83066
     C            -2.28352             4.87371            14.12530
     C            -3.36977             4.25841            14.81137
     C            -4.29840             3.43150            14.13737
     C            -4.94407             2.39254            14.83479
     C            -5.36208             1.24765            14.12569
     C            -5.48133             0.01598            14.81650
     C            -5.37192            -1.22209            14.12708
     C            -4.95574            -2.37846            14.83307
     C            -4.29880            -3.42416            14.13048
     C            -3.37152            -4.25786            14.80450
     C            -2.31036            -4.87762            14.11050
     C            -1.20264            -5.41657            14.81852
     C             0.04008            -5.80371            14.16375
     C             1.27328            -5.61537            14.85878
     C             2.51093            -5.38101            14.18006
     C             3.52107            -4.58848            14.85471
     C             4.27638            -3.63167            14.10041
     C             4.73698            -2.48120            14.84733
     C             4.84523            -1.23228            14.12443
     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            -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             6.14537            -0.48569            10.84780
     C             6.23823             0.59340            12.06685
     C             7.25335            -1.25124            10.42349
     H             7.60874            -2.32257            10.37988
     C             8.45766            -0.53070            10.68191
     H             9.42274            -1.09622            10.49253
     C             8.57473             0.45513            11.81872
     H             9.66572             0.67105            12.00317
     C             7.43304             1.14529            12.41397
     H             7.56316             2.29973            12.40779
          178
 Energy:   -1199.375526483774    
     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             5.19888             0.00964             7.80151
     C             5.02782             1.24034             8.49343
     C             4.86691             2.46837             7.82434
     C             4.29208             3.69637             8.48069
     C             3.49259             4.59681             7.71122
     C             2.47451             5.32991             8.50389
     C             1.26934             5.58410             7.78452
     C            -0.00005             5.90430             8.46275
     C            -1.18380             5.43908             7.78059
     C            -2.30760             4.92261             8.50643
     C            -3.36942             4.22229             7.77976
     C            -4.31768             3.41476             8.49383
     C            -4.94840             2.34961             7.79091
     C            -5.40606             1.20822             8.52346
     C            -5.46023             0.00048             7.77877
     C            -5.40305            -1.21287             8.51685
     C            -4.95036            -2.35168             7.77863
     C            -4.31227            -3.42696             8.48251
     C            -3.34543            -4.23126             7.77941
     C            -2.28913            -4.89934             8.49533
     C            -1.17962            -5.40228             7.76914
     C            -0.02705            -5.92543             8.47397
     C             1.24870            -5.68582             7.77472
     C             2.46461            -5.38007             8.48196
     C             3.45096            -4.54135             7.73217
     C             4.18543            -3.60804             8.48493
     C             4.85163            -2.47396             7.80661
     C             5.04273            -1.24758             8.48019
     C             4.70611            -0.01089            10.51265
     C             4.67763             1.28566             9.87102
     C             4.31023             2.44929            10.57592
     C             4.09591             3.70520             9.88892
     C             3.26501             4.67590            10.60763
     C             2.35150             5.51505             9.89758
     C             1.25098             6.13726            10.59377
     C            -0.03976             6.09741             9.90233
     C            -1.23178             5.72767            10.62452
     C            -2.32520             5.02268             9.94937
     C            -3.43796             4.33690            10.60519
     C            -4.38103             3.46267             9.91115
     C            -5.16414             2.45885            10.60304
     C            -5.50440             1.22693             9.93887
     C            -5.69680            -0.00916            10.61726
     C            -5.49701            -1.24019             9.93181
     C            -5.16534            -2.46482            10.60368
     C            -4.39082            -3.46074             9.90339
     C            -3.45487            -4.32022            10.59610
     C            -2.32684            -5.00410             9.92754
     C            -1.22673            -5.73232            10.59510
     C            -0.02219            -6.07821             9.90636
     C             1.26087            -6.17750            10.59178
     C             2.41031            -5.59676             9.89962
     C             3.22155            -4.64382            10.55890
     C             3.95006            -3.61734             9.87698
     C             4.22794            -2.41989            10.57895
     C             4.60366            -1.30364             9.82977
     C             4.68052             0.03303            12.17884
     C             4.67147             1.36440            12.85032
     C             4.29435             2.41673            12.05932
     C             3.98893             3.63245            12.73591
     C             3.21629             4.63908            12.04855
     C             2.42070             5.55160            12.73462
     C             1.26705             6.16453            12.05723
     C            -0.03206             6.07892            12.75108
     C            -1.22778             5.72754            12.05916
     C            -2.32453             5.00196            12.71459
     C            -3.44944             4.32302            12.04580
     C            -4.38518             3.46555            12.73714
     C            -5.16325             2.46907            12.03813
     C            -5.49661             1.24241            12.71096
     C            -5.69698             0.00958            12.02619
     C            -5.50472            -1.22679            12.70425
     C            -5.16360            -2.45975            12.03886
     C            -4.37853            -3.46394            12.72974
     C            -3.43939            -4.33703            12.03686
     C            -2.33399            -5.02395            12.69338
     C            -1.24134            -5.71778            12.02952
     C            -0.04855            -6.08257            12.75322
     C             1.26331            -6.15697            12.05694
     C             2.37111            -5.52507            12.74716
     C             3.25385            -4.69253            12.00784
     C             4.08653            -3.71318            12.72917
     C             4.34155            -2.42654            12.07013
     C             4.73423            -1.28124            12.77209
     C             5.18306            -0.01788            14.88039
     C             5.04372             1.25902            14.18412
     C             4.83370             2.46227            14.87778
     C             4.19002             3.57992            14.13517
     C             3.46332             4.53965            14.85959
     C             2.46596             5.37308            14.14884
     C             1.25520             5.66923            14.87550
     C            -0.02115             5.92584            14.18129
     C            -1.17712             5.40766            14.87574
     C            -2.28423             4.89946            14.14744
     C            -3.34462             4.22908            14.86062
     C            -4.31348             3.42545            14.15808
     C            -4.94971             2.35035            14.86422
     C            -5.40148             1.21411            14.12571
     C            -5.45952             0.00189            14.86261
     C            -5.40665            -1.20489            14.11873
     C            -4.95131            -2.34463            14.85318
     C            -4.32134            -3.41202            14.14766
     C            -3.36980            -4.22583            14.85823
     C            -2.30606            -4.93244            14.13565
     C            -1.17681            -5.43758            14.86654
     C             0.01091            -5.88172            14.18874
     C             1.27754            -5.59039            14.86914
     C             2.49247            -5.38073            14.14688
     C             3.49498            -4.59491            14.88702
     C             4.24717            -3.65934            14.14145
     C             4.86638            -2.47004            14.83959
     C             5.03562            -1.26287            14.14577
     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            -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             6.32653            -0.54300            10.93161
     C             6.34337             0.66529            11.92964
     C             7.56877            -1.23890            10.53850
     H             7.46974            -2.37941            10.19597
     C             8.73260            -0.46427            10.73986
     H             9.62602            -0.75920            10.33081
     C             8.67238             0.31177            11.80776
     H             9.63189             0.67823            12.23803
     C             7.62523             1.09619            12.15636
     H             7.82553             2.08544            12.52945
          178
 Energy:   -1199.203575088633    
     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             5.41520            -0.01710             7.85246
     C             5.11408             1.27676             8.49828
     C             4.96431             2.51346             7.75865
     C             4.29837             3.67172             8.47103
     C             3.46468             4.58189             7.76422
     C             2.40208             5.32323             8.40226
     C             1.19070             5.59609             7.73455
     C            -0.00178             5.89850             8.44508
     C            -1.20760             5.49123             7.77485
     C            -2.33199             4.97640             8.49020
     C            -3.35377             4.24281             7.78952
     C            -4.29203             3.40523             8.47812
     C            -4.96222             2.36509             7.77838
     C            -5.41194             1.22696             8.47677
     C            -5.50739             0.01137             7.78119
     C            -5.41564            -1.21278             8.47112
     C            -4.96508            -2.37053             7.78369
     C            -4.29251            -3.40552             8.47310
     C            -3.35387            -4.22130             7.77952
     C            -2.33227            -4.92577             8.49414
     C            -1.22367            -5.48475             7.79393
     C            -0.02374            -5.95785             8.43324
     C             1.19289            -5.64842             7.72534
     C             2.39478            -5.33471             8.40040
     C             3.40147            -4.53571             7.74305
     C             4.19952            -3.59460             8.45843
     C             5.02240            -2.51505             7.75357
     C             5.09525            -1.28943             8.47926
     C             5.01245            -0.00966            10.58353
     C             4.83753             1.28786             9.84375
     C             4.50112             2.45212            10.62309
     C             4.11991             3.67128             9.91960
     C             3.26986             4.59535            10.59875
     C             2.33504             5.41300             9.88324
     C             1.13138             5.97173            10.60301
     C            -0.10305             6.15543             9.86934
     C            -1.30857             5.75358            10.60680
     C            -2.38687             5.08408             9.92231
     C            -3.35616             4.23615            10.61811
     C            -4.34965             3.43009             9.91772
     C            -5.07088             2.37653            10.60340
     C            -5.51836             1.22865             9.89051
     C            -5.59752             0.01461            10.61948
     C            -5.52393            -1.21181             9.89665
     C            -5.08267            -2.37927            10.61540
     C            -4.35528            -3.43859             9.90919
     C            -3.33956            -4.23633            10.59546
     C            -2.37600            -5.07096             9.91485
     C            -1.31010            -5.73338            10.61318
     C            -0.10797            -6.15452             9.87842
     C             1.15903            -6.05077            10.60120
     C             2.31293            -5.42721             9.86140
     C             3.16898            -4.54597            10.62579
     C             3.99330            -3.63020             9.89257
     C             4.41503            -2.43986            10.60331
     C             4.86067            -1.34095             9.82372
     C             4.95966             0.05377            12.08990
     C             4.83587             1.37376            12.85211
     C             4.45078             2.50163            12.04854
     C             4.01367             3.64863            12.76685
     C             3.20367             4.54367            11.98863
     C             2.28912             5.41541            12.74650
     C             1.15513             6.01561            12.03755
     C            -0.09265             6.15531            12.77155
     C            -1.31207             5.73370            12.04238
     C            -2.37975             5.06305            12.73655
     C            -3.33979             4.23282            12.04940
     C            -4.35362             3.43682            12.73206
     C            -5.07879             2.38243            12.02636
     C            -5.52080             1.21770            12.74504
     C            -5.59727            -0.01021            12.02482
     C            -5.51876            -1.22718            12.75149
     C            -5.07139            -2.37393            12.03915
     C            -4.35430            -3.42577            12.72478
     C            -3.36719            -4.23344            12.02684
     C            -2.39943            -5.08254            12.72848
     C            -1.30377            -5.74534            12.04775
     C            -0.08364            -6.14726            12.77540
     C             1.13724            -5.99014            12.03700
     C             2.33364            -5.44603            12.73086
     C             3.26805            -4.58659            12.00964
     C             4.10602            -3.63227            12.73385
     C             4.50928            -2.45276            12.02897
     C             4.88448            -1.29400            12.81971
     C             5.43933             0.01708            14.78768
     C             5.15839             1.31231            14.20342
     C             5.00442             2.54121            14.88307
     C             4.19807             3.56174            14.19999
     C             3.40036             4.50119            14.92254
     C             2.39551             5.31073            14.20811
     C             1.19571             5.64052            14.90023
     C            -0.02408             5.95018            14.21692
     C            -1.22438             5.48599            14.85635
     C            -2.32815             4.92671            14.15376
     C            -3.34864             4.22125            14.86220
     C            -4.29035             3.40553            14.16834
     C            -4.96516             2.36980            14.85741
     C            -5.41453             1.21260            14.17000
     C            -5.50665            -0.00811            14.86259
     C            -5.41327            -1.22229            14.16619
     C            -4.96304            -2.36494            14.86141
     C            -4.29120            -3.40800            14.16406
     C            -3.35270            -4.25028            14.85248
     C            -2.33078            -4.98224            14.15920
     C            -1.20223            -5.47240            14.87396
     C            -0.00326            -5.87847            14.19848
     C             1.20565            -5.63026            14.90270
     C             2.41528            -5.34127            14.21186
     C             3.43845            -4.54149            14.89369
     C             4.28551            -3.63253            14.17673
     C             4.94931            -2.53048            14.85758
     C             5.18804            -1.27962            14.16774
     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            -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             6.50413            -0.62867            10.92492
     C             6.44049             0.55409            11.75722
     C             7.67911            -1.17529            10.62551
     H             7.66634            -1.92843             9.78002
     C             8.99237            -0.63241            10.76274
     H             9.61641            -0.60383             9.97411
     C             8.95753             0.40702            11.85238
     H             9.81310             0.43642            12.60455
     C             7.69194             1.17154            12.01941
     H             7.71844             1.79726            12.80367
          178
 Energy:   -1201.475242373856    
     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             5.51984            -0.00035             7.79161
     C             5.24450             1.30023             8.47722
     C             4.96358             2.53538             7.80287
     C             4.33466             3.58560             8.53418
     C             3.43546             4.47219             7.80456
     C             2.35099             5.29512             8.45364
     C             1.17495             5.64251             7.73089
     C            -0.07381             5.86179             8.43520
     C            -1.27962             5.53449             7.77907
     C            -2.39034             5.04541             8.49376
     C            -3.36888             4.28942             7.81815
     C            -4.24345             3.41212             8.51106
     C            -4.96851             2.42449             7.77716
     C            -5.43779             1.25194             8.44737
     C            -5.58003             0.00160             7.76731
     C            -5.44413            -1.23432             8.46486
     C            -4.98481            -2.39590             7.78389
     C            -4.26719            -3.38655             8.51905
     C            -3.37763            -4.25002             7.82026
     C            -2.38323            -5.01396             8.49721
     C            -1.28357            -5.56633             7.77023
     C            -0.05949            -5.91496             8.42385
     C             1.17806            -5.63228             7.72635
     C             2.32449            -5.26349             8.46272
     C             3.38659            -4.45241             7.80344
     C             4.28076            -3.59380             8.51414
     C             4.96835            -2.55822             7.80640
     C             5.26076            -1.32248             8.47417
     C             5.13005            -0.03494            10.45205
     C             4.99430             1.30247             9.90569
     C             4.69191             2.46284            10.63599
     C             4.14946             3.54437             9.91654
     C             3.27156             4.52277            10.57253
     C             2.28026             5.30417             9.84011
     C             1.12739             5.80387            10.57675
     C            -0.11888             6.05712             9.85326
     C            -1.39149             5.79120            10.57252
     C            -2.44842             5.07397             9.89040
     C            -3.29964             4.19487            10.61092
     C            -4.23277             3.37643             9.92013
     C            -4.95675             2.37041            10.60920
     C            -5.46283             1.25640             9.86720
     C            -5.55691             0.01049            10.58511
     C            -5.47561            -1.23053             9.87340
     C            -4.96796            -2.35087            10.59799
     C            -4.23851            -3.37105             9.92648
     C            -3.30078            -4.18891            10.61957
     C            -2.42791            -5.05104             9.90587
     C            -1.37484            -5.76382            10.60373
     C            -0.13273            -6.13156             9.84678
     C             1.09782            -5.84765            10.56030
     C             2.18552            -5.24877             9.85992
     C             3.18504            -4.49722            10.59694
     C             4.04953            -3.52947             9.91194
     C             4.67235            -2.48224            10.61033
     C             5.03737            -1.40024             9.85809
     C             5.28333             0.00330            12.09709
     C             4.97494             1.34573            12.75520
     C             4.66607             2.49835            12.05983
     C             4.04631             3.58723            12.76350
     C             3.20115             4.53852            12.05969
     C             2.19988             5.23293            12.76606
     C             1.07505             5.81484            12.04426
     C            -0.13543             6.11642            12.78401
     C            -1.37391             5.77386            12.04951
     C            -2.42261             5.05189            12.74490
     C            -3.29742             4.18478            12.03030
     C            -4.23991             3.36670            12.72000
     C            -4.96735             2.34845            12.04287
     C            -5.47280             1.23092            12.76891
     C            -5.55565            -0.00490            12.05672
     C            -5.46468            -1.24663            12.77576
     C            -4.96246            -2.36105            12.03235
     C            -4.24192            -3.37287            12.72634
     C            -3.30569            -4.20049            12.03900
     C            -2.44048            -5.07886            12.75891
     C            -1.37575            -5.78510            12.07868
     C            -0.11955            -6.05651            12.78109
     C             1.12479            -5.82747            12.03034
     C             2.31146            -5.30926            12.77675
     C             3.25753            -4.49385            12.08891
     C             4.10589            -3.53467            12.73422
     C             4.67075            -2.42581            12.02835
     C             5.00937            -1.27640            12.73531
     C             5.61179             0.03046            14.83202
     C             5.30969             1.33751            14.12447
     C             5.01876             2.56543            14.86022
     C             4.24718             3.62312            14.15897
     C             3.33959             4.42968            14.85325
     C             2.31688             5.21004            14.17504
     C             1.18447             5.62043            14.90989
     C            -0.05763             5.91212            14.20320
     C            -1.28227             5.56331            14.86659
     C            -2.38734             5.00967            14.15438
     C            -3.37887             4.24608            14.82939
     C            -4.26166             3.38647            14.12571
     C            -4.98256             2.40070            14.85838
     C            -5.44290             1.23850            14.17731
     C            -5.58046            -0.00213            14.87363
     C            -5.43667            -1.25593            14.19493
     C            -4.96527            -2.42831            14.86502
     C            -4.24369            -3.41470            14.13352
     C            -3.37969            -4.28818            14.83400
     C            -2.39905            -5.03394            14.15507
     C            -1.26836            -5.51145            14.84906
     C            -0.06248            -5.86965            14.19381
     C             1.18954            -5.66695            14.90330
     C             2.34684            -5.26101            14.17506
     C             3.39654            -4.44016            14.84166
     C             4.31092            -3.59168            14.12367
     C             4.99396            -2.50308            14.87568
     C             5.33007            -1.28727            14.14784
     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            -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             6.65856            -0.69136            10.86764
     C             6.81139             0.53535            11.78682
     C             7.87536            -1.28791            10.43798
     H             7.86197            -1.92143             9.59405
     C             9.09720            -0.67608            10.92609
     H             9.86588            -0.65723            10.07430
     C             9.17727             0.52995            11.82244
     H             9.82728             0.56574            12.70356
     C             7.93151             1.23978            12.10771
     H             7.96183             2.06132            12.74747
          178
 Energy:   -1201.274432961829    
     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             5.49937            -0.00748             7.81592
     C             5.38002             1.28034             8.51730
     C             4.95052             2.43297             7.79802
     C             4.27183             3.53208             8.52256
     C             3.38131             4.36795             7.80129
     C             2.37511             5.16747             8.47927
     C             1.20093             5.64462             7.78200
     C            -0.10383             5.84621             8.44639
     C            -1.32714             5.55462             7.73575
     C            -2.47924             5.10814             8.47242
     C            -3.43966             4.32698             7.75797
     C            -4.21782             3.40964             8.51214
     C            -4.96971             2.43315             7.78984
     C            -5.47369             1.27210             8.47634
     C            -5.62691             0.00927             7.77235
     C            -5.49149            -1.24426             8.47534
     C            -4.98730            -2.40520             7.78822
     C            -4.23102            -3.38136             8.52222
     C            -3.41801            -4.31080             7.78162
     C            -2.45165            -5.11632             8.48112
     C            -1.32357            -5.59269             7.73193
     C            -0.11967            -5.87962             8.44314
     C             1.16817            -5.60831             7.78827
     C             2.30153            -5.09006             8.51652
     C             3.36932            -4.39171             7.80819
     C             4.28156            -3.58598             8.55909
     C             4.89252            -2.46320             7.76759
     C             5.44438            -1.35293             8.45912
     C             5.35410            -0.01782            10.57812
     C             5.20278             1.28854             9.85921
     C             4.85120             2.43085            10.63490
     C             4.15082             3.51723             9.97178
     C             3.25779             4.43814            10.62562
     C             2.26393             5.16354             9.92773
     C             1.09750             5.66327            10.59933
     C            -0.13103             5.84935             9.89263
     C            -1.39555             5.80996            10.60162
     C            -2.42368             5.09097             9.91536
     C            -3.28205             4.21283            10.61387
     C            -4.09034             3.30965             9.92116
     C            -4.86264             2.36012            10.62370
     C            -5.36405             1.24110             9.90787
     C            -5.56648             0.00623            10.60858
     C            -5.37313            -1.23031             9.90856
     C            -4.86197            -2.33835            10.62817
     C            -4.09899            -3.28158             9.93281
     C            -3.30387            -4.19566            10.64555
     C            -2.40185            -5.04769             9.93000
     C            -1.39317            -5.82650            10.59933
     C            -0.15351            -5.95466             9.88726
     C             1.05003            -5.64552            10.61357
     C             2.18664            -5.06041             9.94302
     C             3.23057            -4.39213            10.63117
     C             4.12502            -3.53395             9.97457
     C             4.88920            -2.50123            10.62782
     C             5.24646            -1.36854             9.83118
     C             5.52600             0.02303            12.03038
     C             5.18547             1.28456            12.73687
     C             4.82034             2.45771            12.03504
     C             4.14436             3.53472            12.68431
     C             3.25259             4.45050            12.01903
     C             2.15304             5.08254            12.73241
     C             1.06069             5.61572            12.01345
     C            -0.15934             5.92904            12.72540
     C            -1.41623             5.83108            12.02963
     C            -2.40468             5.05107            12.71426
     C            -3.29376             4.19276            12.00903
     C            -4.09395             3.28136            12.71485
     C            -4.86022             2.34162            12.01732
     C            -5.37249             1.23119            12.73548
     C            -5.56734            -0.00314            12.02996
     C            -5.36443            -1.23800            12.73393
     C            -4.86448            -2.36094            12.02171
     C            -4.09301            -3.31595            12.72265
     C            -3.28291            -4.22047            12.03940
     C            -2.41688            -5.08395            12.72741
     C            -1.40121            -5.80168            12.02918
     C            -0.12008            -5.86524            12.72402
     C             1.13311            -5.68087            12.02652
     C             2.23652            -5.15561            12.73571
     C             3.23109            -4.40131            12.01769
     C             4.13224            -3.46796            12.70616
     C             4.79325            -2.39823            12.03269
     C             5.23770            -1.25209            12.74811
     C             5.62675             0.01731            14.83643
     C             5.45044             1.33775            14.10601
     C             4.94695             2.48319            14.80235
     C             4.30403             3.60386            14.09736
     C             3.32119             4.37909            14.83933
     C             2.24681             5.05733            14.13864
     C             1.14934             5.58901            14.86076
     C            -0.10898             5.87135            14.18355
     C            -1.31549             5.58925            14.90400
     C            -2.45319             5.11235            14.16034
     C            -3.42148             4.30821            14.86198
     C            -4.23206             3.37663            14.12543
     C            -4.98785             2.40346            14.85743
     C            -5.49079             1.24447            14.16949
     C            -5.62619            -0.01064            14.86915
     C            -5.47214            -1.27108            14.16627
     C            -4.97205            -2.42784            14.85611
     C            -4.23082            -3.40547            14.13368
     C            -3.44738            -4.32422            14.88115
     C            -2.46975            -5.09204            14.16748
     C            -1.31227            -5.54394            14.90040
     C            -0.09138            -5.86991            14.18548
     C             1.19523            -5.62553            14.86787
     C             2.33934            -5.12776            14.16968
     C             3.36548            -4.35662            14.82931
     C             4.27699            -3.49275            14.13358
     C             4.99657            -2.42234            14.79933
     C             5.43103            -1.25438            14.09826
     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            -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             6.91749            -0.70544            10.70299
     C             7.13591             0.45427            11.82504
     C             8.06986            -1.34197            10.28689
     H             7.97157            -2.11198             9.64995
     C             9.20109            -0.56374            11.02146
     H            10.33313            -1.21460            11.05087
     C             9.30225             0.52655            11.80947
     H            10.34081             0.77975            12.03748
     C             8.24704             1.26728            12.22592
     H             8.48712             2.33903            12.46477
          178
 Energy:   -1202.511245423409    
     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             5.51512            -0.04986             7.80513
     C             5.44026             1.20420             8.47321
     C             4.92255             2.37843             7.78733
     C             4.18534             3.40393             8.50740
     C             3.32967             4.31187             7.78083
     C             2.33370             5.02736             8.54512
     C             1.21318             5.54354             7.79019
     C            -0.06302             5.78371             8.48638
     C            -1.30497             5.57639             7.78138
     C            -2.50586             5.16316             8.46311
     C            -3.49461             4.38031             7.78858
     C            -4.21787             3.37221             8.47324
     C            -4.97922             2.37240             7.80229
     C            -5.46431             1.24869             8.53276
     C            -5.64165             0.02285             7.81938
     C            -5.48248            -1.23512             8.51867
     C            -4.97616            -2.38236             7.80622
     C            -4.18001            -3.36934             8.47433
     C            -3.46876            -4.37687             7.78452
     C            -2.50865            -5.16135             8.48298
     C            -1.33058            -5.59393             7.78499
     C            -0.09235            -5.81917             8.49719
     C             1.16266            -5.49800             7.81253
     C             2.24980            -4.92409             8.55050
     C             3.34063            -4.35762             7.80041
     C             4.22887            -3.45125             8.49263
     C             4.90746            -2.40923             7.78303
     C             5.48285            -1.28819             8.46836
     C             5.65363            -0.01550            10.51963
     C             5.42541             1.26541             9.91794
     C             4.92527             2.41071            10.57798
     C             4.20561             3.48281             9.93078
     C             3.28691             4.31465            10.63262
     C             2.27415             5.02694             9.94543
     C             1.07219             5.48384            10.60341
     C            -0.12405             5.71272             9.90220
     C            -1.34614             5.74691            10.59453
     C            -2.43356             5.15720             9.88360
     C            -3.25918             4.25668            10.60580
     C            -4.02449             3.28388             9.87672
     C            -4.75025             2.30002            10.59544
     C            -5.32265             1.20091             9.92740
     C            -5.55064             0.00326            10.61693
     C            -5.32815            -1.19335             9.92449
     C            -4.75153            -2.28620            10.62369
     C            -4.01221            -3.26983             9.89102
     C            -3.24405            -4.24713            10.60207
     C            -2.42382            -5.12727             9.89097
     C            -1.38995            -5.79884            10.58691
     C            -0.12542            -5.75758             9.92181
     C             1.07471            -5.43908            10.62922
     C             2.22314            -4.91160             9.96087
     C             3.26195            -4.26129            10.64524
     C             4.31303            -3.53654             9.95624
     C             5.00181            -2.45163            10.60725
     C             5.45764            -1.38211             9.86270
     C             5.87956             0.05027            12.09208
     C             5.41905             1.31858            12.77050
     C             4.92233             2.37055            12.00144
     C             4.29442             3.51077            12.66138
     C             3.28348             4.29457            12.03364
     C             2.22586             4.91803            12.67517
     C             1.03886             5.44316            12.01926
     C            -0.13536             5.74182            12.71940
     C            -1.38630             5.79579            12.02961
     C            -2.43754             5.13552            12.74037
     C            -3.24640             4.23488            12.03465
     C            -4.00548             3.26604            12.75820
     C            -4.74887             2.29028            12.02531
     C            -5.33011             1.19624            12.71891
     C            -5.55161            -0.00541            12.02670
     C            -5.31993            -1.20815            12.71475
     C            -4.74711            -2.30973            12.05159
     C            -4.03101            -3.28809            12.77229
     C            -3.26727            -4.25082            12.03394
     C            -2.41736            -5.14519            12.74987
     C            -1.32726            -5.75020            12.02067
     C            -0.11655            -5.74721            12.73765
     C             1.06386            -5.50823            12.04665
     C             2.24040            -4.96986            12.70374
     C             3.24959            -4.25654            12.05703
     C             4.16307            -3.42448            12.71408
     C             4.92607            -2.36181            12.03000
     C             5.50031            -1.24283            12.70557
     C             5.57476             0.03480            14.81811
     C             5.47694             1.25483            14.16337
     C             4.92347             2.40225            14.85024
     C             4.27444             3.47717            14.10370
     C             3.36462             4.32386            14.83172
     C             2.21598             4.90650            14.11701
     C             1.11509             5.48459            14.84588
     C            -0.11655             5.79867            14.13353
     C            -1.33516             5.58935            14.85450
     C            -2.50166             5.16427            14.15305
     C            -3.46550             4.37992            14.85176
     C            -4.18477             3.36629            14.17025
     C            -4.98034             2.37388            14.83714
     C            -5.48407             1.22898            14.12403
     C            -5.64029            -0.01916            14.82698
     C            -5.46643            -1.23757            14.10854
     C            -4.98899            -2.36462            14.83853
     C            -4.22916            -3.37565            14.16805
     C            -3.48237            -4.37853            14.84572
     C            -2.47963            -5.14891            14.17368
     C            -1.30612            -5.58708            14.86224
     C            -0.07203            -5.79354            14.15264
     C             1.17965            -5.50245            14.85823
     C             2.31139            -4.99056            14.11955
     C             3.36226            -4.28036            14.87274
     C             4.18320            -3.37477            14.12934
     C             4.95579            -2.36628            14.84454
     C             5.47816            -1.20140            14.14694
     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            -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             7.18475            -0.53974            10.60084
     C             7.35242             0.42875            11.92914
     C             8.34229            -1.19240            10.29700
     H             8.63102            -2.13799             9.82426
     C             9.40444            -0.77267            10.98908
     H             9.89965            -1.73773            11.54831
     C             9.67256             0.55558            11.78952
     H            10.42849             1.26340            11.50117
     C             8.43163             1.15063            12.19402
     H             8.10620             2.22780            12.67181
          178
 Energy:   -1203.744713681867    
     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             5.58935            -0.02832             7.75061
     C             5.41309             1.21658             8.47696
     C             4.88739             2.32348             7.79480
     C             4.13366             3.29089             8.46125
     C             3.31902             4.22713             7.81392
     C             2.27078             4.90586             8.50549
     C             1.16640             5.38959             7.79829
     C            -0.01903             5.65952             8.48057
     C            -1.25351             5.56137             7.77360
     C            -2.46942             5.21566             8.46598
     C            -3.48665             4.40858             7.78094
     C            -4.21677             3.36116             8.47422
     C            -4.95383             2.33751             7.78242
     C            -5.41874             1.20055             8.50849
     C            -5.61531            -0.01820             7.79105
     C            -5.41200            -1.21793             8.51646
     C            -4.93219            -2.34705             7.78908
     C            -4.17063            -3.34810             8.47937
     C            -3.48752            -4.40145             7.77212
     C            -2.49793            -5.19943             8.45168
     C            -1.28176            -5.56746             7.78260
     C            -0.03672            -5.67421             8.50943
     C             1.13727            -5.33893             7.79158
     C             2.23864            -4.82017             8.51278
     C             3.33315            -4.21798             7.79770
     C             4.21292            -3.35347             8.48475
     C             4.96244            -2.38887             7.78380
     C             5.40973            -1.27974             8.47960
     C             5.99124            -0.02073            10.52942
     C             5.56983             1.28063             9.82541
     C             4.99899             2.35251            10.55733
     C             4.26938             3.35200             9.84839
     C             3.35396             4.18181            10.58439
     C             2.27178             4.87595             9.93247
     C             1.11121             5.27527            10.61967
     C            -0.04558             5.67192             9.89432
     C            -1.32089             5.64168            10.58455
     C            -2.49383             5.22296             9.88570
     C            -3.27552             4.26583            10.59086
     C            -4.03152             3.30686             9.87663
     C            -4.61172             2.24119            10.61546
     C            -5.32236             1.21071             9.92606
     C            -5.51504            -0.00032            10.63571
     C            -5.31918            -1.21849             9.93021
     C            -4.60786            -2.25573            10.60206
     C            -3.99708            -3.30081             9.87300
     C            -3.24151            -4.25046            10.59068
     C            -2.49804            -5.26151             9.87950
     C            -1.29793            -5.67408            10.60928
     C            -0.04961            -5.63459             9.92355
     C             1.09927            -5.25156            10.62993
     C             2.23937            -4.77227             9.93603
     C             3.36955            -4.13681            10.61592
     C             4.40376            -3.45723             9.85937
     C             5.08527            -2.43327            10.60635
     C             5.61798            -1.35087             9.86502
     C             6.08298             0.05596            12.12890
     C             5.59944             1.32253            12.79169
     C             5.02677             2.37516            11.99652
     C             4.37911             3.39353            12.74939
     C             3.36695             4.13226            12.02427
     C             2.23521             4.77659            12.72385
     C             1.11590             5.24991            12.02910
     C            -0.08107             5.63820            12.73031
     C            -1.31287             5.65921            12.02907
     C            -2.50314             5.27171            12.74067
     C            -3.24598             4.25188            12.03616
     C            -3.99605             3.29140            12.76539
     C            -4.61214             2.24230            12.04011
     C            -5.32463             1.20918            12.71321
     C            -5.51255            -0.00585            12.01150
     C            -5.32120            -1.20829            12.72036
     C            -4.61894            -2.23700            12.02782
     C            -4.03836            -3.31438            12.76143
     C            -3.26288            -4.26907            12.03533
     C            -2.46385            -5.21048            12.73709
     C            -1.32215            -5.65184            12.05304
     C            -0.06767            -5.71589            12.76331
     C             1.11431            -5.26449            12.03948
     C             2.23476            -4.80277            12.74243
     C             3.30155            -4.09493            12.05139
     C             4.24467            -3.24899            12.76002
     C             5.07682            -2.35385            12.04171
     C             5.70222            -1.26838            12.77775
     C             5.53958             0.00820            14.90579
     C             5.38769             1.26544            14.19329
     C             4.93910             2.36109            14.89225
     C             4.25730             3.31975            14.15807
     C             3.36475             4.23943            14.81898
     C             2.26591             4.80396            14.11389
     C             1.14348             5.31157            14.83748
     C            -0.07161             5.65021            14.15187
     C            -1.31368             5.56313            14.86599
     C            -2.51985             5.20083            14.17048
     C            -3.48769             4.39999            14.87034
     C            -4.16825             3.35165            14.16311
     C            -4.93122             2.35134            14.85093
     C            -5.41533             1.22224            14.12574
     C            -5.61788             0.01950            14.84992
     C            -5.42166            -1.20345            14.13532
     C            -4.95817            -2.34869            14.85726
     C            -4.21466            -3.37113            14.17333
     C            -3.46703            -4.39707            14.86409
     C            -2.46516            -5.20363            14.15637
     C            -1.26785            -5.58555            14.87455
     C            -0.03637            -5.64917            14.17640
     C             1.16236            -5.34634            14.83955
     C             2.27187            -4.85731            14.14474
     C             3.31295            -4.21821            14.82153
     C             4.14462            -3.25545            14.17121
     C             4.88641            -2.31561            14.87442
     C             5.46151            -1.24355            14.15252
     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            -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             7.56644            -0.26198            10.61544
     C             7.62655             0.27702            11.88885
     C             8.59439            -1.07140            10.27911
     H             8.28498            -1.95647             9.39867
     C             9.82027            -0.89320            11.22058
     H            10.51455            -1.65248            11.66645
     C             9.89166             0.55490            11.59362
     H            10.78568             1.15637            11.34573
     C             8.70519             1.01514            12.18302
     H             8.88200             1.92370            13.01830
          178
 Energy:   -1205.658117856138    
     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             5.60138            -0.01224             7.78929
     C             5.42174             1.20429             8.44008
     C             4.86350             2.28760             7.73087
     C             4.14978             3.25599             8.45557
     C             3.30921             4.16803             7.76234
     C             2.27910             4.80725             8.48994
     C             1.16198             5.28523             7.75903
     C            -0.03909             5.58078             8.48204
     C            -1.25917             5.51398             7.75907
     C            -2.47941             5.21289             8.45428
     C            -3.44201             4.38458             7.77726
     C            -4.20072             3.40453             8.48692
     C            -4.89952             2.36085             7.78695
     C            -5.37916             1.20243             8.47739
     C            -5.56102            -0.02283             7.77147
     C            -5.35728            -1.23725             8.49047
     C            -4.87058            -2.35898             7.78191
     C            -4.17843            -3.38008             8.47946
     C            -3.45501            -4.37686             7.77760
     C            -2.48441            -5.23495             8.45208
     C            -1.25510            -5.51660             7.75699
     C            -0.04077            -5.53955             8.48080
     C             1.16235            -5.24354             7.77353
     C             2.27787            -4.74393             8.48568
     C             3.31257            -4.12208             7.77137
     C             4.26497            -3.34737             8.47185
     C             4.96602            -2.37533             7.74890
     C             5.43651            -1.22562             8.47285
     C             6.24865            -0.02398            10.47642
     C             5.62886             1.23194             9.84211
     C             5.08362             2.29848            10.58840
     C             4.25783             3.24946             9.87191
     C             3.38865             4.09609            10.58981
     C             2.30609             4.72699             9.90051
     C             1.14932             5.17437            10.62338
     C            -0.02295             5.61395             9.91393
     C            -1.26685             5.60406            10.59987
     C            -2.47433             5.22512             9.90796
     C            -3.32156             4.29468            10.60702
     C            -4.05818             3.31075             9.90369
     C            -4.56994             2.22016            10.62263
     C            -5.28437             1.21170             9.91207
     C            -5.50367            -0.01359            10.60152
     C            -5.27858            -1.23206             9.91252
     C            -4.55941            -2.23311            10.60635
     C            -4.00538            -3.30813             9.89007
     C            -3.29287            -4.30455            10.60713
     C            -2.47732            -5.27659             9.92525
     C            -1.26337            -5.59419            10.62262
     C            -0.02391            -5.55966             9.91138
     C             1.15058            -5.12967            10.62997
     C             2.29765            -4.65770             9.90846
     C             3.39681            -4.10610            10.60354
     C             4.35534            -3.35173             9.90778
     C             5.19191            -2.39508            10.60368
     C             5.63045            -1.27210             9.87341
     C             6.20530             0.05076            12.18893
     C             5.61582             1.28608            12.79361
     C             5.15347             2.35145            12.03060
     C             4.32120             3.30012            12.74655
     C             3.39490             4.07741            12.01083
     C             2.31067             4.64299            12.72177
     C             1.14643             5.14056            12.04409
     C            -0.01926             5.55663            12.73826
     C            -1.27240             5.58790            12.01906
     C            -2.50420             5.26749            12.71123
     C            -3.30925             4.30547            12.01926
     C            -4.00472             3.30713            12.74083
     C            -4.55790             2.22409            12.03514
     C            -5.28272             1.22632            12.72944
     C            -5.50600             0.00850            12.04111
     C            -5.28421            -1.21510            12.73496
     C            -4.57344            -2.22841            12.01956
     C            -4.05498            -3.32503            12.72603
     C            -3.30574            -4.28636            12.01868
     C            -2.47906            -5.20840            12.73372
     C            -1.26942            -5.63146            12.04118
     C            -0.01297            -5.63096            12.73772
     C             1.12811            -5.14570            12.05202
     C             2.28224            -4.64411            12.73562
     C             3.35255            -3.98537            12.02020
     C             4.24541            -3.17018            12.75558
     C             5.20168            -2.31618            12.04621
     C             5.75147            -1.27707            12.81678
     C             5.52621            -0.00376            14.84581
     C             5.39801             1.20242            14.16788
     C             4.94375             2.33872            14.88909
     C             4.23845             3.32990            14.16750
     C             3.36513             4.14789            14.87418
     C             2.31137             4.75172            14.15482
     C             1.17888             5.21494            14.85994
     C            -0.03479             5.51734            14.17051
     C            -1.27414             5.51324            14.88499
     C            -2.51506             5.24034            14.18360
     C            -3.46791             4.37449            14.86181
     C            -4.17574             3.37694            14.15193
     C            -4.86951             2.36600            14.85935
     C            -5.36198             1.24114            14.15379
     C            -5.56480             0.01897            14.87002
     C            -5.38112            -1.21454            14.17076
     C            -4.90049            -2.37400            14.85652
     C            -4.19294            -3.40598            14.14511
     C            -3.42988            -4.37584            14.85999
     C            -2.48237            -5.21133            14.18313
     C            -1.27210            -5.52772            14.88684
     C            -0.03588            -5.57313            14.17310
     C             1.16075            -5.25980            14.88737
     C             2.25888            -4.76112            14.14926
     C             3.31976            -4.13568            14.86971
     C             4.13121            -3.23618            14.16217
     C             4.87189            -2.28421            14.88921
     C             5.46791            -1.22337            14.19698
     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            -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             7.82375            -0.14909            10.53248
     C             7.81747             0.30076            11.98631
     C             8.89589            -1.05170            10.30697
     H             8.82240            -1.80528             9.36070
     C            10.00709            -0.89693            11.21832
     H            10.78993            -1.49433            11.43972
     C            10.06130             0.47529            11.48306
     H            11.03315             0.97921            11.46487
     C             9.01470             0.92889            12.24153
     H             9.12591             1.70435            13.05403
          178
 Energy:   -1207.373628299307    
     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             5.57095            -0.01689             7.75020
     C             5.46289             1.20189             8.49209
     C             4.88110             2.28434             7.78646
     C             4.18809             3.25870             8.49355
     C             3.33637             4.12438             7.76973
     C             2.29465             4.72956             8.48335
     C             1.17164             5.25806             7.80511
     C            -0.03946             5.53022             8.49226
     C            -1.28764             5.47452             7.78887
     C            -2.48038             5.16409             8.48953
     C            -3.42059             4.35574             7.79115
     C            -4.19181             3.41588             8.50738
     C            -4.86903             2.39466             7.79370
     C            -5.32656             1.24330             8.49571
     C            -5.49955             0.00163             7.79632
     C            -5.31710            -1.24354             8.48049
     C            -4.84706            -2.39486             7.78169
     C            -4.16441            -3.42061             8.50580
     C            -3.39976            -4.38388             7.79831
     C            -2.47747            -5.20859             8.50391
     C            -1.27573            -5.46685             7.78650
     C            -0.02652            -5.45480             8.48532
     C             1.19015            -5.22101             7.79264
     C             2.29065            -4.68037             8.49712
     C             3.35293            -4.11596             7.76861
     C             4.30897            -3.34592             8.50925
     C             4.98434            -2.32466             7.79983
     C             5.49631            -1.23118             8.48307
     C             6.34806            -0.02048            10.47873
     C             5.68208             1.20023             9.87908
     C             5.13905             2.27528            10.61855
     C             4.26066             3.17805             9.91259
     C             3.36749             4.03671            10.61249
     C             2.30608             4.65038             9.89772
     C             1.18419             5.14832            10.60355
     C            -0.00412             5.51919             9.90614
     C            -1.24990             5.59716            10.61649
     C            -2.41654             5.17023             9.89390
     C            -3.35629             4.36423            10.60261
     C            -4.06420             3.34286             9.90455
     C            -4.62419             2.23148            10.60121
     C            -5.22552             1.17445             9.88917
     C            -5.50647            -0.00974            10.61143
     C            -5.21987            -1.20074             9.88720
     C            -4.59674            -2.24363            10.61298
     C            -4.02462            -3.33623             9.90151
     C            -3.35787            -4.37598            10.59948
     C            -2.42414            -5.18399             9.90139
     C            -1.24450            -5.59531            10.60850
     C            -0.00586            -5.46620             9.90157
     C             1.17172            -5.08628            10.59917
     C             2.30827            -4.63731             9.89628
     C             3.38206            -4.04835            10.62840
     C             4.34706            -3.26283             9.92635
     C             5.22007            -2.33030            10.61567
     C             5.65143            -1.22575             9.86980
     C             6.35054             0.03072            12.15071
     C             5.61346             1.21051            12.76858
     C             5.16001             2.33183            12.04977
     C             4.29658             3.24978            12.70198
     C             3.38327             4.04677            12.00621
     C             2.31696             4.62391            12.74723
     C             1.18624             5.09096            12.03906
     C            -0.01449             5.45870            12.75171
     C            -1.24277             5.58445            12.05132
     C            -2.43410             5.18488            12.74126
     C            -3.38170             4.37647            12.02831
     C            -4.03214             3.33215            12.73401
     C            -4.59063             2.24076            12.02558
     C            -5.21986             1.20286            12.75546
     C            -5.51051             0.00180            12.03484
     C            -5.22530            -1.19124            12.75135
     C            -4.62617            -2.24417            12.03605
     C            -4.05947            -3.34036            12.73068
     C            -3.34561            -4.35219            12.02569
     C            -2.41629            -5.18292            12.74954
     C            -1.24740            -5.61893            12.04406
     C            -0.01162            -5.50890            12.74789
     C             1.18078            -5.09853            12.02791
     C             2.28641            -4.56034            12.73097
     C             3.33489            -3.96440            12.01408
     C             4.26533            -3.16365            12.70823
     C             5.21089            -2.31457            12.05962
     C             5.76121            -1.22226            12.79749
     C             5.54442             0.01230            14.88627
     C             5.43749             1.21381            14.15736
     C             4.94653             2.32694            14.83889
     C             4.27637             3.32138            14.12389
     C             3.36148             4.14030            14.87910
     C             2.31572             4.70269            14.14980
     C             1.19008             5.21176            14.86481
     C            -0.01565             5.43674            14.15400
     C            -1.25508             5.46075            14.84299
     C            -2.47996             5.21768            14.14830
     C            -3.41655             4.38808            14.84347
     C            -4.17019             3.41167            14.12867
     C            -4.85146             2.38646            14.85799
     C            -5.32198             1.23515            14.16185
     C            -5.50130            -0.00639            14.84742
     C            -5.32901            -1.24547            14.14563
     C            -4.86711            -2.39722            14.84520
     C            -4.18610            -3.41220            14.12416
     C            -3.42477            -4.35344            14.85125
     C            -2.48005            -5.17063            14.16204
     C            -1.27395            -5.47244            14.84947
     C            -0.03950            -5.53903            14.15166
     C             1.16720            -5.24481            14.83808
     C             2.28415            -4.67413            14.15110
     C             3.32059            -4.09865            14.87513
     C             4.17679            -3.22129            14.13547
     C             4.90362            -2.30846            14.86834
     C             5.49506            -1.22155            14.17451
     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            -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             8.00130            -0.23456            10.54123
     C             7.90236             0.39068            11.96507
     C             9.03300            -1.06822            10.25736
     H             9.21721            -1.88557             9.55200
     C            10.13581            -0.84593            11.03629
     H            10.85669            -1.55689            11.08104
     C            10.29541             0.42443            11.60420
     H            11.23958             1.00682            11.52082
     C             9.17852             0.90577            12.35409
     H             9.25155             1.68300            13.05936
          178
 Energy:   -1208.067154351691    
     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             5.57588            -0.00297             7.79196
     C             5.50114             1.18216             8.51620
     C             4.96851             2.29647             7.80661
     C             4.23802             3.24905             8.54992
     C             3.38081             4.11177             7.80635
     C             2.28210             4.68544             8.49998
     C             1.18845             5.26059             7.78748
     C            -0.03174             5.47615             8.50499
     C            -1.24779             5.44874             7.77948
     C            -2.42795             5.08573             8.49400
     C            -3.42524             4.35086             7.78290
     C            -4.18731             3.40381             8.50470
     C            -4.88161             2.39615             7.78252
     C            -5.25928             1.22797             8.49116
     C            -5.44135             0.01586             7.77937
     C            -5.25376            -1.21428             8.48649
     C            -4.86490            -2.40437             7.79540
     C            -4.15534            -3.42220             8.50872
     C            -3.41843            -4.37937             7.77836
     C            -2.42477            -5.11674             8.48301
     C            -1.23198            -5.43629             7.79165
     C            -0.01716            -5.40542             8.50077
     C             1.19390            -5.21496             7.78277
     C             2.29994            -4.66091             8.49102
     C             3.43759            -4.15306             7.81491
     C             4.32558            -3.30691             8.53006
     C             5.01289            -2.35064             7.77388
     C             5.54254            -1.21463             8.48956
     C             6.39941            -0.03319            10.51021
     C             5.77195             1.22970             9.90250
     C             5.14586             2.25840            10.62366
     C             4.27971             3.17360             9.94716
     C             3.32943             3.96166            10.61544
     C             2.29878             4.62391             9.90295
     C             1.19026             5.12836            10.61968
     C            -0.00238             5.45165             9.92487
     C            -1.22884             5.55879            10.62637
     C            -2.39227             5.12435             9.92639
     C            -3.39243             4.40981            10.62163
     C            -4.09831             3.38878             9.92630
     C            -4.67561             2.30662            10.61159
     C            -5.19634             1.19595             9.91636
     C            -5.46976            -0.00821            10.61200
     C            -5.18571            -1.20180             9.91153
     C            -4.66223            -2.30126            10.61851
     C            -4.09308            -3.38461             9.93470
     C            -3.39165            -4.40805            10.62916
     C            -2.39272            -5.12695             9.91765
     C            -1.22589            -5.56925            10.60427
     C            -0.00573            -5.39404             9.90765
     C             1.17492            -5.08880            10.60920
     C             2.32070            -4.62398             9.91440
     C             3.35955            -3.95804            10.60768
     C             4.36257            -3.23356             9.94381
     C             5.15832            -2.26702            10.62783
     C             5.74985            -1.23258             9.88960
     C             6.40657             0.05412            12.13406
     C             5.66580             1.20784            12.74091
     C             5.10375             2.25248            12.02030
     C             4.32717             3.24214            12.71205
     C             3.34035             4.01367            12.02853
     C             2.29880             4.65085            12.73726
     C             1.17844             5.09612            12.01296
     C             0.01532             5.37137            12.72218
     C            -1.22912             5.55066            12.04350
     C            -2.39554             5.12875            12.73528
     C            -3.39613             4.42770            12.02718
     C            -4.10274             3.38609            12.70756
     C            -4.66436             2.28788            12.01219
     C            -5.18345             1.18819            12.72839
     C            -5.46890             0.00126            12.03324
     C            -5.20288            -1.19802            12.72230
     C            -4.68214            -2.30521            12.01804
     C            -4.08343            -3.38497            12.71465
     C            -3.37421            -4.41788            12.03114
     C            -2.40204            -5.14838            12.72491
     C            -1.23204            -5.56375            12.02185
     C             0.00856            -5.41809            12.70431
     C             1.17141            -5.07485            12.00806
     C             2.25250            -4.55504            12.74273
     C             3.32322            -3.94329            12.02642
     C             4.30242            -3.19543            12.72278
     C             5.18015            -2.26964            12.03021
     C             5.78985            -1.23505            12.74978
     C             5.60011             0.00517            14.87570
     C             5.48381             1.20344            14.14807
     C             4.97826             2.34180            14.87034
     C             4.28467             3.31550            14.11063
     C             3.41093             4.15204            14.81484
     C             2.27957             4.69169            14.14948
     C             1.19924             5.23045            14.85302
     C            -0.00691             5.39364            14.14565
     C            -1.22665             5.41964            14.86541
     C            -2.40975             5.11617            14.15865
     C            -3.41500             4.38916            14.86102
     C            -4.16403             3.42420            14.14212
     C            -4.86817             2.39308            14.84705
     C            -5.25592             1.20560            14.15235
     C            -5.44308            -0.02194            14.85966
     C            -5.25986            -1.23045            14.14429
     C            -4.87769            -2.38810            14.85888
     C            -4.18506            -3.40121            14.14352
     C            -3.42916            -4.36143            14.85932
     C            -2.42772            -5.09395            14.14858
     C            -1.24717            -5.43777            14.87072
     C            -0.01799            -5.48201            14.13406
     C             1.19902            -5.25183            14.84044
     C             2.24833            -4.63989            14.13541
     C             3.35512            -4.07608            14.83252
     C             4.23089            -3.24805            14.11354
     C             5.00391            -2.30645            14.84928
     C             5.53675            -1.18694            14.15435
     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            -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             7.99165            -0.35490            10.60112
     C             8.08110             0.42776            11.85825
     C             9.12804            -1.07122            10.16970
     H             8.81522            -1.79083             9.52476
     C            10.38786            -0.77466            10.87430
     H            11.19434            -1.48982            10.80503
     C            10.43627             0.37248            11.81716
     H            11.39243             0.93710            11.83697
     C             9.26122             0.88194            12.40023
     H             9.36661             1.57754            13.12694
          178
 Energy:   -1208.959391861645    
     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             5.62573            -0.01302             7.78362
     C             5.57179             1.21851             8.50423
     C             5.06173             2.33408             7.78495
     C             4.30133             3.26191             8.51863
     C             3.39349             4.13392             7.79858
     C             2.29509             4.68794             8.50082
     C             1.20885             5.24375             7.78376
     C             0.01551             5.44012             8.50065
     C            -1.20572             5.39784             7.78229
     C            -2.36536             5.01839             8.49425
     C            -3.40811             4.34655             7.78715
     C            -4.20571             3.41270             8.50059
     C            -4.88573             2.37709             7.79368
     C            -5.20965             1.19922             8.50280
     C            -5.37914            -0.00913             7.78409
     C            -5.19201            -1.19576             8.51050
     C            -4.87864            -2.36889             7.79718
     C            -4.20918            -3.40630             8.50878
     C            -3.43057            -4.35070             7.78185
     C            -2.37189            -5.01812             8.48026
     C            -1.19657            -5.38332             7.76060
     C             0.01569            -5.39228             8.49315
     C             1.21609            -5.18962             7.78786
     C             2.34170            -4.71072             8.50888
     C             3.45756            -4.20872             7.79125
     C             4.34444            -3.31075             8.50693
     C             5.07610            -2.34456             7.78285
     C             5.58289            -1.25351             8.48725
     C             6.44182            -0.04699            10.48548
     C             5.85408             1.24555             9.89022
     C             5.13007             2.23547            10.61059
     C             4.29678             3.19243             9.94986
     C             3.28778             3.91564            10.64415
     C             2.28712             4.60474             9.91906
     C             1.16995             5.10963            10.60957
     C             0.00208             5.43135             9.91404
     C            -1.22435             5.47860            10.62001
     C            -2.39855             5.10972             9.90903
     C            -3.41791             4.42067            10.62599
     C            -4.16922             3.45633             9.90947
     C            -4.74011             2.37839            10.62585
     C            -5.20078             1.24192             9.90989
     C            -5.37938             0.01050            10.60952
     C            -5.18803            -1.21815             9.91216
     C            -4.75350            -2.37275            10.61277
     C            -4.17828            -3.46607             9.91562
     C            -3.39650            -4.41214            10.62197
     C            -2.40751            -5.11555             9.89505
     C            -1.22928            -5.47483            10.59837
     C             0.00504            -5.38393             9.90894
     C             1.19444            -5.08827            10.61081
     C             2.31005            -4.59354             9.90788
     C             3.32634            -3.91265            10.63063
     C             4.34150            -3.20582             9.92232
     C             5.10823            -2.22292            10.61342
     C             5.79236            -1.28139             9.87106
     C             6.51358             0.07692            12.13678
     C             5.74273             1.25960            12.77784
     C             5.04693             2.20787            12.02568
     C             4.31996             3.23392            12.71474
     C             3.33063             3.96275            12.03820
     C             2.30250             4.65652            12.71485
     C             1.17567             5.11727            12.01246
     C            -0.01353             5.36299            12.73603
     C            -1.21288             5.45826            12.02879
     C            -2.38911             5.11615            12.75354
     C            -3.40836             4.41425            12.04188
     C            -4.19030             3.46784            12.73602
     C            -4.75117             2.37530            12.03565
     C            -5.17957             1.21223            12.72369
     C            -5.38084            -0.01418            12.01562
     C            -5.20759            -1.24624            12.72571
     C            -4.73362            -2.38461            12.02209
     C            -4.15798            -3.44489            12.74459
     C            -3.42553            -4.42077            12.03846
     C            -2.39651            -5.13495            12.74033
     C            -1.22425            -5.47460            12.00716
     C            -0.01805            -5.40089            12.72340
     C             1.14681            -5.05655            12.01044
     C             2.26556            -4.55862            12.70810
     C             3.31853            -3.91647            12.02841
     C             4.33833            -3.20833            12.70979
     C             5.12167            -2.23061            12.03003
     C             5.84873            -1.22267            12.74401
     C             5.66868             0.01632            14.84526
     C             5.54337             1.23790            14.15486
     C             5.03368             2.33244            14.85228
     C             4.32126             3.31201            14.14977
     C             3.40731             4.20327            14.86641
     C             2.32269             4.72150            14.12337
     C             1.20205             5.23451            14.86100
     C            -0.00159             5.39456            14.13835
     C            -1.19311             5.36778            14.87084
     C            -2.36714             4.99815            14.17292
     C            -3.42316             4.34471            14.86603
     C            -4.21244             3.41846            14.13553
     C            -4.87515             2.37481            14.84498
     C            -5.18767             1.19517            14.12918
     C            -5.38227             0.00642            14.85663
     C            -5.21006            -1.20184            14.13798
     C            -4.87776            -2.37826            14.85180
     C            -4.19941            -3.41500            14.14406
     C            -3.41309            -4.35666            14.85764
     C            -2.36939            -5.02813            14.15660
     C            -1.19751            -5.39767            14.84702
     C             0.00986            -5.42474            14.13072
     C             1.19747            -5.24723            14.87142
     C             2.27117            -4.64003            14.14346
     C             3.36232            -4.11121            14.86244
     C             4.33373            -3.27369            14.14503
     C             5.08053            -2.33237            14.85855
     C             5.61377            -1.21846            14.12740
     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            -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             8.01807            -0.41979            10.63238
     C             8.10818             0.39992            11.89914
     C             9.21500            -0.99774            10.19459
     H             9.35263            -1.75554             9.42896
     C            10.48658            -0.67942            10.74036
     H            11.53149            -1.04935            10.42051
     C            10.54077             0.25216            11.89533
     H            11.44872             0.57281            12.44496
     C             9.33289             0.81634            12.36989
     H             9.31479             1.41204            13.23441
          178
 Energy:   -1208.944872889741    
     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             5.69792            -0.01454             7.76539
     C             5.69991             1.24056             8.43921
     C             5.10771             2.38255             7.76715
     C             4.33694             3.34546             8.48392
     C             3.41588             4.14983             7.77939
     C             2.35331             4.71481             8.50989
     C             1.24598             5.21878             7.78914
     C             0.03232             5.43717             8.48272
     C            -1.17949             5.32786             7.78254
     C            -2.35807             4.98530             8.48781
     C            -3.37856             4.31030             7.77922
     C            -4.25092             3.45565             8.48694
     C            -4.85675             2.37881             7.78513
     C            -5.19981             1.21155             8.50074
     C            -5.32894            -0.00154             7.79533
     C            -5.17853            -1.21218             8.50807
     C            -4.85848            -2.36688             7.77496
     C            -4.28776            -3.44800             8.47805
     C            -3.40192            -4.29365             7.78784
     C            -2.37133            -4.96190             8.47248
     C            -1.19574            -5.30379             7.79229
     C             0.03632            -5.39950             8.47992
     C             1.25344            -5.19925             7.78022
     C             2.39457            -4.77927             8.50496
     C             3.46217            -4.21399             7.78233
     C             4.35922            -3.37358             8.47951
     C             5.08512            -2.39556             7.75898
     C             5.64942            -1.25355             8.44876
     C             6.48459            -0.07103            10.45650
     C             5.86229             1.24061             9.85195
     C             5.12561             2.20164            10.61884
     C             4.29862             3.18395             9.89140
     C             3.29919             3.89614            10.61761
     C             2.27776             4.57928             9.90945
     C             1.16656             5.10305            10.61324
     C            -0.00945             5.43057             9.88305
     C            -1.23017             5.39561            10.60010
     C            -2.40759             5.08302             9.89357
     C            -3.43055             4.42603            10.61164
     C            -4.26095             3.50694             9.90450
     C            -4.84109             2.43352            10.62273
     C            -5.19636             1.24252             9.91684
     C            -5.27433             0.01301            10.61005
     C            -5.18634            -1.22091             9.92366
     C            -4.85539            -2.43681            10.61755
     C            -4.27776            -3.50190             9.89133
     C            -3.44029            -4.41729            10.59994
     C            -2.40797            -5.08265             9.87396
     C            -1.22063            -5.37638            10.59254
     C             0.01383            -5.40739             9.88370
     C             1.18095            -5.07505            10.60565
     C             2.30965            -4.57760             9.91121
     C             3.31419            -3.90018            10.61724
     C             4.26914            -3.17788             9.89389
     C             5.08812            -2.23130            10.60379
     C             5.77673            -1.25727             9.84595
     C             6.50860             0.07987            12.15330
     C             5.82834             1.27878            12.76746
     C             5.06760             2.22001            12.04891
     C             4.27772             3.18534            12.76619
     C             3.31655             3.93533            12.03193
     C             2.32285             4.65165            12.73318
     C             1.17814             5.12838            12.03084
     C            -0.00254             5.40762            12.74443
     C            -1.24326             5.36289            12.03422
     C            -2.40904             5.05942            12.76341
     C            -3.43303             4.41531            12.04678
     C            -4.28226             3.51532            12.76230
     C            -4.85599             2.44355            12.03936
     C            -5.17727             1.22253            12.71611
     C            -5.27505            -0.01391            12.02251
     C            -5.19953            -1.24192            12.72550
     C            -4.83147            -2.42876            12.03455
     C            -4.25511            -3.50560            12.75383
     C            -3.43933            -4.43340            12.03772
     C            -2.42328            -5.08294            12.74483
     C            -1.25266            -5.39210            12.02868
     C            -0.01382            -5.39970            12.73973
     C             1.16399            -5.05433            12.02671
     C             2.28894            -4.56352            12.74924
     C             3.33205            -3.89645            12.03287
     C             4.34256            -3.18579            12.75027
     C             5.12979            -2.17494            12.02842
     C             5.88364            -1.21802            12.74326
     C             5.72053             0.00095            14.88049
     C             5.64615             1.25272            14.17811
     C             5.05280             2.37260            14.88941
     C             4.33558             3.36410            14.15944
     C             3.44058             4.19478            14.85081
     C             2.37229             4.80172            14.14347
     C             1.23716             5.23132            14.84018
     C             0.02120             5.41889            14.15739
     C            -1.20967             5.29861            14.86120
     C            -2.37132             4.93852            14.15913
     C            -3.40120             4.27612            14.85982
     C            -4.29398             3.44774            14.17225
     C            -4.85927             2.37135            14.86583
     C            -5.16701             1.21833            14.13199
     C            -5.32838             0.00860            14.84523
     C            -5.20092            -1.21303            14.14100
     C            -4.85232            -2.38114            14.85534
     C            -4.24336            -3.45517            14.16898
     C            -3.37855            -4.31665            14.86719
     C            -2.36400            -5.00423            14.15200
     C            -1.19246            -5.33670            14.87308
     C             0.01811            -5.41170            14.14941
     C             1.22866            -5.19985            14.83334
     C             2.33196            -4.68602            14.13989
     C             3.42836            -4.13222            14.85385
     C             4.37923            -3.35970            14.15014
     C             5.12393            -2.36950            14.87599
     C             5.72147            -1.24504            14.18023
     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            -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             8.14753            -0.41074            10.64933
     C             8.12187             0.29097            11.95927
     C             9.33611            -0.93163            10.21240
     H             9.26832            -1.55418             9.23649
     C            10.54084            -0.47876            10.73553
     H            11.35275            -0.69028             9.97422
     C            10.56739             0.12664            11.91014
     H            11.40587            -0.08868            12.53753
     C             9.38405             0.70530            12.37611
     H             9.51901             1.35049            13.27727
          178
 Energy:   -1208.146373797803    
     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             5.79061             0.00810             7.72100
     C             5.79135             1.29148             8.40607
     C             5.14352             2.41018             7.75817
     C             4.40900             3.35909             8.48536
     C             3.46174             4.19859             7.78136
     C             2.37931             4.74886             8.49895
     C             1.25665             5.23975             7.77427
     C             0.03522             5.42617             8.47812
     C            -1.19035             5.28683             7.76110
     C            -2.36915             4.96810             8.47000
     C            -3.38247             4.28449             7.76834
     C            -4.29951             3.49300             8.48603
     C            -4.85467             2.40352             7.77490
     C            -5.19848             1.24443             8.50377
     C            -5.32650             0.01507             7.77902
     C            -5.19336            -1.21677             8.49695
     C            -4.87409            -2.39443             7.77604
     C            -4.33828            -3.50716             8.46797
     C            -3.39120            -4.26549             7.74981
     C            -2.38474            -4.93228             8.48378
     C            -1.18422            -5.25534             7.76683
     C             0.03571            -5.40150             8.47677
     C             1.25914            -5.28507             7.77758
     C             2.40011            -4.81772             8.50258
     C             3.47157            -4.23472             7.78617
     C             4.37629            -3.37702             8.50100
     C             5.10323            -2.41675             7.76287
     C             5.67686            -1.27964             8.40993
     C             6.55448            -0.05439            10.48041
     C             5.87052             1.21278             9.83491
     C             5.11765             2.19776            10.58324
     C             4.31809             3.14408             9.88889
     C             3.33696             3.88962            10.59291
     C             2.29624             4.57684             9.90669
     C             1.18147             5.10437            10.61955
     C            -0.00023             5.41399             9.91064
     C            -1.23015             5.33913            10.61936
     C            -2.41237             5.01960             9.89354
     C            -3.48842             4.41839            10.61986
     C            -4.35479             3.54969             9.90569
     C            -4.97271             2.46962            10.60819
     C            -5.17152             1.23682             9.92518
     C            -5.18493            -0.00893            10.62673
     C            -5.16916            -1.24476             9.92171
     C            -4.96890            -2.44891            10.62166
     C            -4.38329            -3.53615             9.89280
     C            -3.51954            -4.43131            10.59370
     C            -2.40589            -4.98703             9.90657
     C            -1.21811            -5.32385            10.61216
     C             0.00572            -5.40636             9.90242
     C             1.17637            -5.06261            10.62469
     C             2.30850            -4.63047             9.90055
     C             3.30056            -3.89970            10.62225
     C             4.25958            -3.15177             9.88536
     C             5.08756            -2.21299            10.57468
     C             5.76087            -1.24187             9.83712
     C             6.47457             0.04925            12.14148
     C             5.86735             1.29226            12.79629
     C             5.14823             2.24789            12.04518
     C             4.25074             3.13933            12.74016
     C             3.30696             3.90798            12.02039
     C             2.33509             4.67747            12.74533
     C             1.20272             5.13263            12.03369
     C            -0.00548             5.44901            12.73328
     C            -1.22732             5.31955            12.02565
     C            -2.41449             4.95707            12.72947
     C            -3.52374             4.40910            12.02573
     C            -4.38628             3.54401            12.74692
     C            -4.97752             2.45673            12.02477
     C            -5.16412             1.24672            12.72803
     C            -5.18115             0.01839            12.03444
     C            -5.16831            -1.22029            12.72913
     C            -4.96625            -2.45868            12.04031
     C            -4.36122            -3.55539            12.73501
     C            -3.50855            -4.41920            12.00200
     C            -2.42267            -5.01743            12.74159
     C            -1.22667            -5.33485            12.01813
     C            -0.00232            -5.38048            12.72706
     C             1.19899            -5.06547            12.03792
     C             2.33125            -4.57554            12.73642
     C             3.34689            -3.88421            12.03990
     C             4.34179            -3.13677            12.73273
     C             5.15406            -2.19097            12.03068
     C             5.89374            -1.21596            12.81278
     C             5.78334             0.00187            14.90143
     C             5.73545             1.27570            14.21272
     C             5.10213             2.39550            14.86170
     C             4.36143             3.34360            14.14870
     C             3.46374             4.23375            14.85771
     C             2.42293             4.84911            14.14255
     C             1.25341             5.29017            14.88088
     C             0.01428             5.43184            14.15719
     C            -1.20160             5.26689            14.86431
     C            -2.38684             4.91115            14.15515
     C            -3.38663             4.25760            14.88706
     C            -4.34639             3.50247            14.17770
     C            -4.88507             2.38416            14.87382
     C            -5.18529             1.21133            14.14644
     C            -5.31829            -0.01344            14.86225
     C            -5.20004            -1.23431            14.14444
     C            -4.85954            -2.39208            14.87420
     C            -4.29531            -3.49139            14.15955
     C            -3.37930            -4.28900            14.87532
     C            -2.39065            -4.98424            14.16965
     C            -1.20859            -5.30139            14.86428
     C             0.01519            -5.40321            14.15393
     C             1.24961            -5.19313            14.87764
     C             2.40844            -4.73294            14.14581
     C             3.49469            -4.21367            14.85428
     C             4.43949            -3.36067            14.14062
     C             5.16417            -2.41698            14.86965
     C             5.79864            -1.27560            14.21837
     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            -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             8.17584            -0.34918            10.64420
     C             8.18056             0.15129            12.02978
     C             9.34785            -0.83057            10.11500
     H             9.37417            -1.48295             9.13607
     C            10.59620            -0.37914            10.56572
     H            11.68352            -0.27710            10.22390
     C            10.57465             0.02314            11.99538
     H            11.43752            -0.09906            12.64161
     C             9.39172             0.57652            12.52019
     H             9.40464             1.41546            13.34630
          178
 Energy:   -1207.866279341065    
     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             5.86630             0.00114             7.74014
     C             5.82331             1.26250             8.43012
     C             5.20948             2.39403             7.75379
     C             4.43871             3.34909             8.50282
     C             3.52794             4.24593             7.81375
     C             2.37885             4.77913             8.49360
     C             1.23638             5.29078             7.79719
     C             0.01455             5.39725             8.51080
     C            -1.19501             5.30616             7.79698
     C            -2.37467             4.93646             8.49393
     C            -3.42805             4.31923             7.78306
     C            -4.34103             3.50681             8.49000
     C            -4.92309             2.41912             7.79314
     C            -5.19536             1.22431             8.49927
     C            -5.36595             0.01559             7.79926
     C            -5.21172            -1.20347             8.49125
     C            -4.95754            -2.40862             7.79364
     C            -4.37245            -3.51043             8.48756
     C            -3.42627            -4.31619             7.79854
     C            -2.34381            -4.89322             8.49573
     C            -1.19643            -5.26491             7.78867
     C             0.01110            -5.41284             8.51278
     C             1.25194            -5.37506             7.80285
     C             2.37613            -4.84838             8.49987
     C             3.47949            -4.26092             7.80446
     C             4.36163            -3.34421             8.50292
     C             5.13242            -2.38038             7.77287
     C             5.69826            -1.22056             8.43506
     C             6.52161            -0.04027            10.46558
     C             5.91662             1.24432             9.84787
     C             5.18231             2.16657            10.59084
     C             4.33439             3.14853             9.90696
     C             3.34105             3.89449            10.61081
     C             2.34840             4.61659             9.89833
     C             1.22495             5.09912            10.61943
     C             0.01039             5.37409             9.91487
     C            -1.23454             5.29927            10.60747
     C            -2.41872             4.93942             9.90695
     C            -3.56426             4.41945            10.59094
     C            -4.46717             3.56743             9.89046
     C            -5.08058             2.48435            10.60270
     C            -5.16073             1.22580             9.90945
     C            -5.12362             0.00174            10.61881
     C            -5.16987            -1.22226             9.89945
     C            -5.05752            -2.48416            10.60491
     C            -4.49327            -3.58689             9.89528
     C            -3.58414            -4.42963            10.59456
     C            -2.41524            -4.89300             9.90618
     C            -1.25082            -5.29041            10.61270
     C            -0.00873            -5.35601             9.92444
     C             1.18928            -5.09646            10.62733
     C             2.34187            -4.68389             9.91878
     C             3.30861            -3.90761            10.61109
     C             4.28883            -3.16237             9.93041
     C             5.10487            -2.16681            10.61464
     C             5.82511            -1.22906             9.82648
     C             6.53328             0.01646            12.18601
     C             5.89686             1.28540            12.80561
     C             5.20622             2.23934            12.00060
     C             4.29419             3.13851            12.68561
     C             3.30382             3.89727            12.00813
     C             2.36953             4.70013            12.71885
     C             1.20701             5.16675            12.03210
     C             0.01252             5.43533            12.73575
     C            -1.23239             5.29937            12.03543
     C            -2.40457             4.87382            12.72048
     C            -3.58110             4.40730            12.02779
     C            -4.50889             3.57098            12.73505
     C            -5.07814             2.48216            12.03506
     C            -5.17187             1.24186            12.75764
     C            -5.11625             0.01264            12.04133
     C            -5.14631            -1.22448            12.74291
     C            -5.08162            -2.46780            12.03587
     C            -4.48683            -3.56271            12.73157
     C            -3.56823            -4.42829            12.03084
     C            -2.41900            -4.94863            12.71313
     C            -1.21714            -5.28202            12.03820
     C             0.02837            -5.34198            12.75044
     C             1.22282            -5.07597            12.03641
     C             2.37677            -4.62286            12.73625
     C             3.35181            -3.87257            12.01201
     C             4.34455            -3.14287            12.71008
     C             5.19526            -2.19259            12.02538
     C             5.88953            -1.26344            12.79909
     C             5.85176             0.00772            14.89805
     C             5.78772             1.27100            14.21528
     C             5.16813             2.38185            14.87580
     C             4.34775             3.30860            14.10980
     C             3.50915             4.26137            14.85022
     C             2.40363             4.88586            14.14740
     C             1.25792             5.36679            14.82641
     C             0.03146             5.44346            14.14651
     C            -1.19880             5.28928            14.84613
     C            -2.35120             4.88691            14.13542
     C            -3.43706             4.30531            14.84825
     C            -4.37910             3.50635            14.14246
     C            -4.96050             2.41174            14.84379
     C            -5.21356             1.19996            14.16333
     C            -5.35825            -0.01644            14.86031
     C            -5.19069            -1.22254            14.15446
     C            -4.92048            -2.42179            14.84235
     C            -4.35287            -3.49597            14.13510
     C            -3.44948            -4.30890            14.85452
     C            -2.39803            -4.94827            14.13181
     C            -1.20438            -5.31966            14.83923
     C             0.03952            -5.36654            14.15122
     C             1.24664            -5.23715            14.84215
     C             2.40956            -4.80000            14.14320
     C             3.57517            -4.27608            14.84497
     C             4.45143            -3.35302            14.12030
     C             5.23144            -2.39837            14.89647
     C             5.80944            -1.26418            14.23487
     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            -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             8.15805            -0.30383            10.58919
     C             8.14559             0.03301            12.11806
     C             9.36470            -0.66026             9.91045
     H             9.42413            -1.39694             9.04464
     C            10.63251            -0.27371            10.63397
     H            11.48305            -0.34084             9.86425
     C            10.56440            -0.04974            11.99726
     H            11.52588             0.11609            12.48843
     C             9.36636             0.39880            12.68985
     H             9.37900             1.18563            13.58663
          178
 Energy:   -1208.144147789165    
     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             5.85568             0.01171             7.73204
     C             5.81834             1.24364             8.45620
     C             5.21714             2.38194             7.78182
     C             4.44782             3.34141             8.51371
     C             3.52183             4.26071             7.79062
     C             2.42272             4.81777             8.50502
     C             1.24704             5.30374             7.81044
     C             0.00894             5.39112             8.52069
     C            -1.23085             5.33644             7.80369
     C            -2.39104             4.90725             8.51780
     C            -3.48596             4.36562             7.78611
     C            -4.42116             3.51083             8.47216
     C            -5.00143             2.40868             7.77503
     C            -5.22351             1.20992             8.49716
     C            -5.41051            -0.00239             7.77349
     C            -5.26084            -1.21639             8.49769
     C            -5.02333            -2.42080             7.77635
     C            -4.43329            -3.50785             8.49277
     C            -3.49294            -4.35067             7.79229
     C            -2.36501            -4.84178             8.51342
     C            -1.20298            -5.31436             7.80194
     C             0.00414            -5.45056             8.52633
     C             1.23081            -5.39143             7.81156
     C             2.40397            -4.88715             8.52439
     C             3.46565            -4.23843             7.80540
     C             4.35276            -3.29996             8.52092
     C             5.10043            -2.32542             7.77962
     C             5.72464            -1.22176             8.46961
     C             6.48220            -0.02439            10.52265
     C             5.99946             1.24622             9.86088
     C             5.24135             2.22564            10.59163
     C             4.37683             3.15309             9.93793
     C             3.35171             3.89924            10.58981
     C             2.38440             4.67823             9.90767
     C             1.22950             5.12165            10.60600
     C             0.01003             5.30915             9.93650
     C            -1.23580             5.25055            10.61948
     C            -2.43445             4.88381             9.93363
     C            -3.61994             4.41967            10.60347
     C            -4.55791             3.58290             9.89900
     C            -5.13317             2.47080            10.60737
     C            -5.17856             1.24032             9.91564
     C            -5.10483             0.01358            10.62109
     C            -5.18253            -1.22405             9.92194
     C            -5.13800            -2.47117            10.58842
     C            -4.57291            -3.61474             9.91094
     C            -3.60473            -4.42034            10.62337
     C            -2.43322            -4.85926             9.92692
     C            -1.25722            -5.22589            10.64073
     C            -0.02761            -5.30485             9.93610
     C             1.21538            -5.14831            10.62786
     C             2.37176            -4.71688             9.92079
     C             3.35630            -3.93276            10.60230
     C             4.34334            -3.15030             9.92842
     C             5.15331            -2.17043            10.60343
     C             5.86543            -1.22994             9.87974
     C             6.54634            -0.02446            12.15744
     C             5.95130             1.23226            12.76600
     C             5.22414             2.19143            12.03709
     C             4.37084             3.16309            12.68488
     C             3.34781             3.91257            12.01800
     C             2.37837             4.72260            12.72001
     C             1.24596             5.18983            12.01328
     C             0.00266             5.38584            12.71092
     C            -1.23803             5.26265            12.02216
     C            -2.41041             4.84889            12.71008
     C            -3.58354             4.40559            12.01892
     C            -4.56736             3.62237            12.71721
     C            -5.16076             2.47280            12.03727
     C            -5.20452             1.21766            12.72762
     C            -5.09746            -0.00812            12.03032
     C            -5.16265            -1.23136            12.72557
     C            -5.13072            -2.47015            12.01396
     C            -4.55486            -3.59325            12.72049
     C            -3.62313            -4.42797            12.03708
     C            -2.43906            -4.89022            12.71135
     C            -1.22914            -5.22519            12.04121
     C             0.01619            -5.28376            12.72616
     C             1.23576            -5.09745            12.03858
     C             2.39794            -4.67960            12.73057
     C             3.34604            -3.90621            12.02524
     C             4.37607            -3.17663            12.71442
     C             5.18530            -2.21108            12.04522
     C             5.93420            -1.24659            12.79085
     C             5.87282             0.00277            14.91690
     C             5.80365             1.26145            14.18986
     C             5.14653             2.39042            14.86785
     C             4.36585             3.29764            14.11107
     C             3.49203             4.24015            14.79890
     C             2.44534             4.88574            14.10582
     C             1.27439             5.40019            14.84935
     C             0.02075             5.48196            14.12743
     C            -1.19531             5.33019            14.84913
     C            -2.35850             4.85640            14.12645
     C            -3.49353             4.35652            14.82834
     C            -4.43556             3.50725            14.13750
     C            -5.02232             2.43139            14.87224
     C            -5.27022             1.22926            14.15509
     C            -5.40741             0.00169            14.86305
     C            -5.20964            -1.21056            14.14437
     C            -5.00423            -2.41192            14.86795
     C            -4.43908            -3.51384            14.14499
     C            -3.49995            -4.37096            14.83123
     C            -2.39118            -4.91367            14.12177
     C            -1.22564            -5.32619            14.84905
     C             0.01784            -5.34792            14.14490
     C             1.28153            -5.29197            14.84821
     C             2.46437            -4.85218            14.12710
     C             3.54267            -4.28960            14.82448
     C             4.46057            -3.35909            14.13844
     C             5.20358            -2.40005            14.87108
     C             5.78993            -1.24542            14.18191
     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            -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             8.16937            -0.23094            10.56363
     C             8.14421            -0.07047            12.09167
     C             9.37077            -0.41188             9.90336
     H             9.34019            -0.76154             8.91416
     C            10.48416            -0.28164            10.61078
     H            11.57884            -0.30241            10.26084
     C            10.52392             0.02725            12.00628
     H            11.48704             0.19954            12.53346
     C             9.35942             0.11924            12.74899
     H             9.51206             0.41743            13.83127
          178
 Energy:   -1208.392415236552    
     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             5.78817            -0.00039             7.76379
     C             5.80462             1.27313             8.45078
     C             5.14512             2.38326             7.77290
     C             4.42824             3.35913             8.51117
     C             3.50438             4.20540             7.79764
     C             2.45047             4.87513             8.50130
     C             1.26737             5.28049             7.79470
     C             0.00922             5.39774             8.49765
     C            -1.24605             5.32817             7.79780
     C            -2.44009             4.91142             8.50664
     C            -3.54197             4.34628             7.78817
     C            -4.52196             3.54968             8.47177
     C            -5.02508             2.40810             7.77317
     C            -5.30275             1.21173             8.48884
     C            -5.43079            -0.01611             7.79596
     C            -5.33747            -1.24076             8.49923
     C            -5.03681            -2.42754             7.78617
     C            -4.51372            -3.56396             8.47218
     C            -3.52860            -4.31654             7.77185
     C            -2.42629            -4.85966             8.50458
     C            -1.25604            -5.32960             7.80100
     C             0.00126            -5.47472             8.51813
     C             1.26487            -5.33682             7.80499
     C             2.43516            -4.90798             8.50216
     C             3.45118            -4.17969             7.80439
     C             4.33435            -3.27779             8.50011
     C             5.03827            -2.30952             7.78135
     C             5.73024            -1.24270             8.47021
     C             6.55932            -0.02601            10.52315
     C             5.99754             1.27998             9.88524
     C             5.31583             2.26281            10.62292
     C             4.40626             3.20018             9.91622
     C             3.39781             3.92642            10.61252
     C             2.40539             4.71631             9.91832
     C             1.23507             5.15446            10.60349
     C            -0.02050             5.26805             9.91385
     C            -1.25309             5.17222            10.61492
     C            -2.45714             4.87444             9.93208
     C            -3.62091             4.40450            10.61003
     C            -4.58120             3.60294             9.90234
     C            -5.13773             2.48269            10.60614
     C            -5.22206             1.22464             9.90794
     C            -5.13752            -0.00357            10.60827
     C            -5.22597            -1.22521             9.90584
     C            -5.16399            -2.48354            10.61296
     C            -4.58506            -3.58861             9.90529
     C            -3.63386            -4.39223            10.61211
     C            -2.45389            -4.86189             9.94991
     C            -1.24121            -5.13559            10.62880
     C            -0.00439            -5.30719             9.93984
     C             1.22852            -5.16214            10.62541
     C             2.40352            -4.74061             9.93139
     C             3.41492            -3.96729            10.62752
     C             4.34950            -3.16779             9.91699
     C             5.19119            -2.25087            10.63452
     C             5.85009            -1.22640             9.89169
     C             6.53919            -0.04384            12.14410
     C             5.96168             1.21074            12.77953
     C             5.23693             2.19459            12.03764
     C             4.39765             3.18879            12.72891
     C             3.42606             3.95482            12.01517
     C             2.41488             4.72063            12.68151
     C             1.23909             5.18391            12.00931
     C             0.01562             5.35689            12.69764
     C            -1.23016             5.19777            12.02556
     C            -2.42672             4.87517            12.71299
     C            -3.60169             4.38651            12.03308
     C            -4.57456             3.58838            12.73140
     C            -5.16800             2.49500            12.02310
     C            -5.25670             1.23932            12.72036
     C            -5.14112            -0.00159            12.01841
     C            -5.20755            -1.24424            12.71553
     C            -5.11636            -2.48979            12.02799
     C            -4.58386            -3.60215            12.73910
     C            -3.62720            -4.41989            12.03715
     C            -2.46206            -4.87061            12.74005
     C            -1.26546            -5.14494            12.04132
     C            -0.02476            -5.23792            12.72957
     C             1.21796            -5.13692            12.03110
     C             2.39741            -4.72827            12.71134
     C             3.40947            -3.96581            12.03801
     C             4.38280            -3.23210            12.74162
     C             5.19678            -2.22006            12.04667
     C             5.91812            -1.26715            12.76923
     C             5.82882            -0.00032            14.88240
     C             5.78650             1.24589            14.18373
     C             5.11474             2.33692            14.84446
     C             4.39762             3.33938            14.12948
     C             3.46212             4.18274            14.85334
     C             2.43193             4.89825            14.11963
     C             1.29243             5.36428            14.83078
     C             0.03563             5.51119            14.13056
     C            -1.23126             5.33298            14.83456
     C            -2.39973             4.88031            14.14563
     C            -3.51239             4.33970            14.87432
     C            -4.50365             3.57716            14.16821
     C            -5.03863             2.43602            14.85290
     C            -5.35469             1.25078            14.13235
     C            -5.43245             0.02248            14.83841
     C            -5.28663            -1.20771            14.13703
     C            -5.03101            -2.41264            14.85875
     C            -4.52949            -3.57280            14.17592
     C            -3.53872            -4.36833            14.87088
     C            -2.42633            -4.90718            14.15778
     C            -1.23194            -5.28545            14.84784
     C             0.02108            -5.36075            14.14810
     C             1.27544            -5.32275            14.84035
     C             2.45934            -4.91598            14.12525
     C             3.50964            -4.22810            14.86511
     C             4.43080            -3.40377            14.13981
     C             5.11985            -2.37013            14.85598
     C             5.75453            -1.25683            14.19519
     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            -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             8.10351            -0.11374            10.60403
     C             8.17625            -0.12990            12.03274
     C             9.27128            -0.19104             9.89574
     H             9.35006             0.06573             8.90533
     C            10.50770            -0.24720            10.67917
     H            11.39421            -0.51530            10.01994
     C            10.45132             0.08744            12.00396
     H            11.42542             0.24838            12.49415
     C             9.31293            -0.16619            12.76742
     H             9.23015            -0.45187            13.77405
          178
 Energy:   -1208.450629811507    
     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             5.72817             0.02155             7.78705
     C             5.73888             1.29407             8.46361
     C             5.09046             2.36987             7.76405
     C             4.39125             3.35168             8.49356
     C             3.45725             4.20285             7.79385
     C             2.44611             4.87316             8.51257
     C             1.24417             5.28045             7.79011
     C            -0.00253             5.37231             8.47264
     C            -1.25268             5.28694             7.79147
     C            -2.47630             4.94093             8.47958
     C            -3.55427             4.33304             7.77517
     C            -4.57050             3.59026             8.47470
     C            -5.04881             2.42363             7.79594
     C            -5.37996             1.22995             8.49316
     C            -5.47004            -0.01326             7.79125
     C            -5.39125            -1.25880             8.49146
     C            -5.06096            -2.44176             7.77602
     C            -4.56495            -3.58614             8.46229
     C            -3.51636            -4.31249             7.79216
     C            -2.47354            -4.94026             8.50209
     C            -1.26729            -5.32112             7.80804
     C            -0.00387            -5.43695             8.49316
     C             1.24419            -5.29901             7.79372
     C             2.44409            -4.85100             8.52005
     C             3.43096            -4.17125             7.77379
     C             4.27809            -3.28114             8.50565
     C             5.03270            -2.32137             7.76883
     C             5.64875            -1.24209             8.47134
     C             6.49308             0.00843            10.41481
     C             5.96749             1.29330             9.85011
     C             5.30825             2.31793            10.61589
     C             4.46301             3.24973             9.92702
     C             3.46297             4.01036            10.61042
     C             2.42824             4.73677             9.92188
     C             1.22233             5.15468            10.58387
     C            -0.01117             5.26948             9.87966
     C            -1.24790             5.09153            10.59433
     C            -2.48484             4.89252             9.89125
     C            -3.60447             4.37824            10.61598
     C            -4.56564             3.60177             9.89587
     C            -5.11904             2.47841            10.58502
     C            -5.28604             1.23719             9.90228
     C            -5.23065            -0.01170            10.59312
     C            -5.31467            -1.26830             9.91445
     C            -5.12097            -2.48145            10.61053
     C            -4.56132            -3.57060             9.88248
     C            -3.62615            -4.37812            10.61161
     C            -2.48005            -4.85908             9.89325
     C            -1.23996            -5.06928            10.60353
     C             0.00373            -5.33730             9.90761
     C             1.23992            -5.14714            10.60934
     C             2.44113            -4.76807             9.92887
     C             3.43256            -4.04513            10.62535
     C             4.34786            -3.22511             9.92460
     C             5.21577            -2.28491            10.61495
     C             5.85091            -1.26259             9.86891
     C             6.52723            -0.04970            12.18406
     C             5.91064             1.25041            12.79061
     C             5.26806             2.27048            12.06476
     C             4.41648             3.21224            12.72686
     C             3.47770             4.02149            12.03237
     C             2.43929             4.74376            12.71547
     C             1.24980             5.14055            12.01105
     C             0.01970             5.35800            12.73315
     C            -1.22954             5.12949            12.03865
     C            -2.47222             4.90162            12.75212
     C            -3.60252             4.37295            12.05440
     C            -4.53229             3.57006            12.77325
     C            -5.11730             2.49169            12.02525
     C            -5.33555             1.26706            12.69991
     C            -5.25011             0.01353            12.02567
     C            -5.27449            -1.22683            12.72604
     C            -5.09758            -2.48060            12.05756
     C            -4.56744            -3.61767            12.77770
     C            -3.62717            -4.39188            12.05214
     C            -2.49701            -4.87819            12.76535
     C            -1.26306            -5.05406            12.04611
     C            -0.03102            -5.23346            12.74783
     C             1.19682            -5.14562            12.03337
     C             2.40906            -4.78343            12.72855
     C             3.45824            -4.08085            12.03833
     C             4.41182            -3.26826            12.73684
     C             5.19846            -2.32001            12.06302
     C             5.85239            -1.30051            12.80452
     C             5.74278            -0.02925            14.88838
     C             5.72206             1.21793            14.19476
     C             5.08806             2.32742            14.88895
     C             4.40011             3.34090            14.16656
     C             3.44065             4.18255            14.86048
     C             2.43732             4.83027            14.12420
     C             1.23923             5.32533            14.83635
     C             0.01153             5.47485            14.12877
     C            -1.22329             5.33093            14.83942
     C            -2.45181             4.94533            14.15890
     C            -3.50337             4.32527            14.86139
     C            -4.54280             3.60418            14.18923
     C            -5.05873             2.45184            14.85167
     C            -5.41126             1.26525            14.12577
     C            -5.47251             0.01492            14.84354
     C            -5.37027            -1.23268            14.13561
     C            -5.04234            -2.43042            14.84723
     C            -4.56850            -3.61288            14.19659
     C            -3.56296            -4.34307            14.88756
     C            -2.47531            -4.91421            14.18465
     C            -1.22308            -5.23884            14.85634
     C            -0.00658            -5.36709            14.14183
     C             1.23505            -5.33687            14.84087
     C             2.43021            -4.90936            14.14882
     C             3.44143            -4.23839            14.84675
     C             4.38264            -3.37053            14.16279
     C             5.04134            -2.36231            14.88291
     C             5.68842            -1.27842            14.19041
     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            -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             8.06742            -0.00853            10.59467
     C             8.08988            -0.17701            12.08522
     C             9.26228             0.07666             9.93172
     H             9.30455             0.49123             8.95013
     C            10.45157            -0.17810            10.60811
     H            11.36227            -0.54578            10.17345
     C            10.45649             0.03161            12.07964
     H            11.31995             0.43819            12.65538
     C             9.27272            -0.42248            12.72912
     H             9.33769            -0.91990            13.61886
          178
 Energy:   -1209.228123740460    
     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             5.67079             0.02308             7.75838
     C             5.63272             1.27017             8.44025
     C             5.06464             2.36972             7.76946
     C             4.35173             3.34275             8.50302
     C             3.44892             4.22223             7.78429
     C             2.37369             4.83757             8.50122
     C             1.23066             5.28940             7.79795
     C            -0.02704             5.32773             8.47757
     C            -1.26039             5.25854             7.77413
     C            -2.46908             4.96340             8.46511
     C            -3.54579             4.37338             7.76218
     C            -4.52485             3.58618             8.45670
     C            -5.09771             2.45075             7.77317
     C            -5.42393             1.24294             8.48485
     C            -5.53202            -0.00348             7.78786
     C            -5.42536            -1.25713             8.48577
     C            -5.10999            -2.45326             7.76167
     C            -4.51191            -3.56290             8.45993
     C            -3.53753            -4.36427             7.76695
     C            -2.46037            -5.00675             8.47012
     C            -1.24160            -5.32218             7.78009
     C            -0.01599            -5.37194             8.48371
     C             1.22419            -5.26904             7.80243
     C             2.35156            -4.81243             8.49206
     C             3.42061            -4.18424             7.79506
     C             4.26978            -3.28688             8.50601
     C             5.02372            -2.35630             7.78434
     C             5.54833            -1.21047             8.46015
     C             6.37803             0.02186            10.51488
     C             5.85903             1.32152             9.83037
     C             5.29876             2.34146            10.60878
     C             4.46785             3.33485             9.91259
     C             3.52573             4.13363            10.62202
     C             2.42883             4.76005             9.91950
     C             1.24201             5.10754            10.61160
     C            -0.00428             5.26488             9.89980
     C            -1.23186             5.06562            10.60167
     C            -2.47167             4.90296             9.89924
     C            -3.59001             4.37173            10.62611
     C            -4.53780             3.57779             9.90081
     C            -5.08786             2.46582            10.61011
     C            -5.36313             1.24099             9.91145
     C            -5.39124            -0.00531            10.60605
     C            -5.40459            -1.26025             9.91695
     C            -5.06973            -2.47107            10.63849
     C            -4.52968            -3.57875             9.90903
     C            -3.58763            -4.37642            10.62052
     C            -2.46154            -4.87623             9.91136
     C            -1.24989            -5.06210            10.60533
     C            -0.02136            -5.31021             9.90736
     C             1.22149            -5.15179            10.61210
     C             2.40736            -4.79838             9.91497
     C             3.47209            -4.14057            10.63840
     C             4.36162            -3.27082             9.92464
     C             5.21145            -2.31826            10.60326
     C             5.83272            -1.27212             9.83829
     C             6.39768            -0.04853            12.09354
     C             5.86849             1.24619            12.79564
     C             5.30396             2.35001            12.04273
     C             4.43135             3.28602            12.76005
     C             3.49727             4.10181            12.03805
     C             2.42530             4.75515            12.73283
     C             1.24270             5.11860            12.02146
     C            -0.00493             5.31604            12.70204
     C            -1.24675             5.09895            12.02108
     C            -2.45399             4.93232            12.74156
     C            -3.56927             4.38566            12.04336
     C            -4.50052             3.56284            12.74907
     C            -5.06312             2.47321            12.01880
     C            -5.41099             1.26006            12.71630
     C            -5.40487             0.01219            12.01192
     C            -5.35625            -1.22368            12.73450
     C            -5.08492            -2.45456            12.05020
     C            -4.56361            -3.57752            12.75953
     C            -3.61753            -4.39067            12.04007
     C            -2.47494            -4.88557            12.74791
     C            -1.25472            -5.01044            12.02300
     C            -0.02708            -5.23705            12.71652
     C             1.22512            -5.12201            12.02407
     C             2.40655            -4.83932            12.74069
     C             3.48168            -4.20147            12.05132
     C             4.39099            -3.37052            12.74864
     C             5.24375            -2.37208            12.03174
     C             5.79358            -1.30369            12.78803
     C             5.66543            -0.03859            14.88517
     C             5.60910             1.21875            14.20759
     C             5.08099             2.35462            14.88178
     C             4.36313             3.30809            14.15288
     C             3.47793             4.19425            14.84022
     C             2.35623             4.78809            14.15609
     C             1.23299             5.26541            14.85188
     C            -0.01689             5.40051            14.15002
     C            -1.25446             5.33537            14.86286
     C            -2.44203             5.01178            14.17329
     C            -3.52064             4.35859            14.86960
     C            -4.50062             3.55342            14.18658
     C            -5.10428             2.45117            14.88522
     C            -5.43289             1.26038            14.15148
     C            -5.53509             0.00379            14.84708
     C            -5.41972            -1.24451            14.16597
     C            -5.08542            -2.44223            14.87998
     C            -4.54476            -3.57764            14.19591
     C            -3.55154            -4.37108            14.87642
     C            -2.45908            -4.92678            14.16854
     C            -1.27528            -5.23097            14.86103
     C            -0.04034            -5.35317            14.15380
     C             1.21063            -5.32325            14.85825
     C             2.34922            -4.88366            14.14416
     C             3.43333            -4.24708            14.85121
     C             4.28709            -3.34330            14.15997
     C             5.01538            -2.37089            14.88156
     C             5.57607            -1.28092            14.20632
     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            -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             8.05788             0.07805            10.64704
     C             8.04364            -0.23032            12.11092
     C             9.25216             0.34820             9.98274
     H             9.23240             0.53907             8.85749
     C            10.43338            -0.05374            10.66545
     H            11.30249            -0.22111            10.13723
     C            10.40987            -0.12770            12.03656
     H            11.19625             0.32727            12.63407
     C             9.26099            -0.60417            12.68936
     H             9.39158            -1.09962            13.61683
          178
 Energy:   -1209.883217948746    
     C             5.47239             0.00000             6.36850
     C             5.33518             1.21772             5.66100
     C             4.93045             2.37438             6.36850
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     C             4.27848            -3.41198             5.66100
     C             4.93045            -2.37438             6.36850
     C             5.33518            -1.21772             5.66100
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     C             5.54764             1.22977             8.45447
     C             5.02195             2.38595             7.76875
     C             4.33299             3.38574             8.49599
     C             3.43538             4.22812             7.79560
     C             2.36183             4.79642             8.49735
     C             1.18975             5.26826             7.78472
     C            -0.02397             5.30790             8.51950
     C            -1.24285             5.26850             7.79129
     C            -2.44389             4.96623             8.50886
     C            -3.54423             4.40436             7.77980
     C            -4.46133             3.53670             8.47534
     C            -5.10813             2.46617             7.76970
     C            -5.45831             1.26485             8.48291
     C            -5.57619             0.00230             7.79577
     C            -5.47676            -1.24868             8.49166
     C            -5.10152            -2.45695             7.79598
     C            -4.43525            -3.53130             8.49695
     C            -3.54529            -4.42644             7.77402
     C            -2.45054            -5.00566             8.48824
     C            -1.25110            -5.32738             7.78114
     C            -0.03146            -5.33169             8.51185
     C             1.17171            -5.24284             7.76585
     C             2.32292            -4.78725             8.49895
     C             3.38842            -4.19960             7.79735
     C             4.29706            -3.34738             8.51629
     C             4.99676            -2.33603             7.77490
     C             5.51454            -1.20205             8.46772
     C             6.33993             0.03085            10.49003
     C             5.72379             1.27065             9.86124
     C             5.25469             2.41811            10.59154
     C             4.45353             3.39727             9.92512
     C             3.54660             4.25532            10.63127
     C             2.42355             4.77485             9.91278
     C             1.22992             5.07312            10.63110
     C             0.00689             5.21369             9.93371
     C            -1.23296             5.10685            10.60492
     C            -2.43409             4.89304             9.90898
     C            -3.56601             4.39274            10.59754
     C            -4.48050             3.53960             9.89383
     C            -5.06348             2.43357            10.60645
     C            -5.43915             1.24976             9.90601
     C            -5.58532             0.00300            10.60288
     C            -5.44654            -1.24697             9.91082
     C            -5.07239            -2.42634            10.61020
     C            -4.47965            -3.54296             9.91444
     C            -3.56113            -4.39054            10.61280
     C            -2.44054            -4.91932             9.89063
     C            -1.23514            -5.10339            10.61428
     C            -0.03400            -5.23330             9.91854
     C             1.18439            -5.16199            10.61217
     C             2.36207            -4.79635             9.90597
     C             3.49186            -4.24207            10.61536
     C             4.36445            -3.32538             9.93355
     C             5.21214            -2.35753            10.59059
     C             5.74239            -1.24416             9.86707
     C             6.32688            -0.05496            12.16361
     C             5.78953             1.25868            12.76865
     C             5.30550             2.38140            12.04470
     C             4.46024             3.35203            12.70819
     C             3.51395             4.18995            12.05168
     C             2.37765             4.73985            12.74222
     C             1.20568             5.11417            12.04169
     C            -0.02362             5.23400            12.72995
     C            -1.22568             5.13076            12.00496
     C            -2.42790             4.94963            12.73343
     C            -3.55178             4.39996            12.03535
     C            -4.45506             3.53310            12.73461
     C            -5.05661             2.42409            12.04825
     C            -5.44411             1.25206            12.75492
     C            -5.57628             0.00201            12.04886
     C            -5.44487            -1.23979            12.75403
     C            -5.08442            -2.41384            12.04548
     C            -4.51930            -3.53120            12.74018
     C            -3.60209            -4.39046            12.04313
     C            -2.44251            -4.85986            12.71053
     C            -1.23071            -5.05760            12.01412
     C            -0.01744            -5.21557            12.72571
     C             1.19750            -5.13416            12.01585
     C             2.39697            -4.86441            12.73475
     C             3.50685            -4.29483            12.03953
     C             4.41069            -3.40603            12.72131
     C             5.22312            -2.42838            12.04285
     C             5.70108            -1.30497            12.75678
     C             5.58505            -0.00323            14.86114
     C             5.54723             1.20643            14.14035
     C             5.05645             2.35101            14.85740
     C             4.32744             3.34430            14.14469
     C             3.43519             4.21918            14.86800
     C             2.36473             4.75685            14.14825
     C             1.18334             5.20677            14.86112
     C            -0.02321             5.32927            14.12876
     C            -1.25562             5.35117            14.85554
     C            -2.47159             5.02013            14.14295
     C            -3.53274             4.40141            14.86213
     C            -4.42058             3.50085            14.15305
     C            -5.09873             2.43996            14.85407
     C            -5.46844             1.24110            14.16898
     C            -5.58024             0.00457            14.86552
     C            -5.45836            -1.24234            14.16719
     C            -5.11297            -2.44120            14.87026
     C            -4.48149            -3.52170            14.16104
     C            -3.54726            -4.37868            14.84997
     C            -2.45219            -4.93196            14.11690
     C            -1.26336            -5.28753            14.85336
     C            -0.05366            -5.33328            14.12660
     C             1.16004            -5.27797            14.85140
     C             2.34776            -4.85862            14.15868
     C             3.38588            -4.24799            14.86860
     C             4.24398            -3.36674            14.14190
     C             4.97721            -2.39047            14.85021
     C             5.50147            -1.23430            14.13312
     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            -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             7.96370             0.20176            10.69133
     C             8.00736            -0.30450            12.13476
     C             9.19660             0.45872            10.07866
     H             9.26142             0.75954             8.94271
     C            10.42274             0.15162            10.64047
     H            11.29140             0.23568            10.08056
     C            10.35850            -0.30348            12.01585
     H            11.27317            -0.25878            12.61464
     C             9.19494            -0.68761            12.66475
     H             9.14981            -1.15911            13.66651
          178
 Energy:   -1209.543558256352    
     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             5.55122             0.00963             7.79967
     C             5.44349             1.24669             8.50678
     C             4.98923             2.36695             7.80044
     C             4.36173             3.43178             8.50635
     C             3.41778             4.22717             7.76984
     C             2.34704             4.81205             8.50381
     C             1.20398             5.20146             7.80718
     C            -0.00730             5.31017             8.52857
     C            -1.23450             5.30197             7.81620
     C            -2.42866             4.95242             8.49611
     C            -3.51801             4.37365             7.79962
     C            -4.41604             3.50017             8.48760
     C            -5.05620             2.43436             7.79199
     C            -5.50330             1.26433             8.48077
     C            -5.59349             0.01415             7.78203
     C            -5.51449            -1.24896             8.48528
     C            -5.02226            -2.42335             7.79777
     C            -4.40165            -3.50886             8.49483
     C            -3.53625            -4.39849             7.80147
     C            -2.45862            -4.99523             8.49668
     C            -1.27621            -5.32515             7.80325
     C            -0.05798            -5.31448             8.49758
     C             1.16263            -5.20353             7.80362
     C             2.31036            -4.79503             8.49294
     C             3.39720            -4.19967             7.77545
     C             4.33215            -3.39277             8.49023
     C             4.95648            -2.34818             7.79783
     C             5.49521            -1.24362             8.50601
     C             6.29286             0.04493            10.47917
     C             5.60307             1.26665             9.89400
     C             5.21596             2.41364            10.59473
     C             4.43761             3.46419             9.92161
     C             3.54051             4.31688            10.61936
     C             2.39501             4.80018             9.92468
     C             1.21048             5.06810            10.63835
     C             0.00079             5.16513             9.92108
     C            -1.21484             5.17061            10.62501
     C            -2.41577             4.89886             9.91327
     C            -3.55144             4.38379            10.60636
     C            -4.40798             3.47866             9.91498
     C            -5.04898             2.40934            10.62257
     C            -5.52156             1.25106             9.90817
     C            -5.74569             0.01324            10.63238
     C            -5.50046            -1.21373             9.91151
     C            -5.08084            -2.40385            10.59891
     C            -4.40818            -3.46682             9.91797
     C            -3.56985            -4.38769            10.60294
     C            -2.45764            -4.95233             9.91528
     C            -1.24738            -5.15822            10.61008
     C            -0.02642            -5.19228             9.89298
     C             1.18876            -5.13125            10.61807
     C             2.35038            -4.79340             9.91218
     C             3.48640            -4.30149            10.59095
     C             4.38457            -3.41130             9.91776
     C             5.17866            -2.39672            10.61654
     C             5.65553            -1.24191             9.90516
     C             6.35553            -0.06512            12.14691
     C             5.72123             1.25073            12.71502
     C             5.24189             2.41047            12.00860
     C             4.45821             3.42148            12.72366
     C             3.52314             4.27344            12.02787
     C             2.37208             4.72340            12.74312
     C             1.19730             5.06961            12.04311
     C            -0.01788             5.17670            12.74967
     C            -1.22978             5.18623            12.03692
     C            -2.45591             4.95037            12.70703
     C            -3.55700             4.38694            12.00613
     C            -4.38858             3.47169            12.72345
     C            -5.05571             2.40255            12.03772
     C            -5.47941             1.21703            12.75391
     C            -5.73250             0.00370            12.05628
     C            -5.53728            -1.23502            12.74599
     C            -5.09036            -2.40742            12.01505
     C            -4.43941            -3.48015            12.71811
     C            -3.56796            -4.35443            12.00441
     C            -2.42942            -4.84587            12.71093
     C            -1.22955            -5.14383            12.02019
     C            -0.03049            -5.20428            12.73282
     C             1.19244            -5.16730            12.03000
     C             2.39326            -4.86746            12.72912
     C             3.53437            -4.33679            12.00205
     C             4.39731            -3.45456            12.70571
     C             5.16619            -2.42772            12.02461
     C             5.60468            -1.28626            12.73150
     C             5.52554            -0.01210            14.82638
     C             5.49331             1.25189            14.12652
     C             4.98428             2.36025            14.84485
     C             4.35891             3.40205            14.12962
     C             3.41772             4.18958            14.85480
     C             2.32570             4.77999            14.15520
     C             1.18075             5.15721            14.84521
     C            -0.04417             5.27419            14.14911
     C            -1.27245             5.34308            14.82991
     C            -2.46183             5.02441            14.13527
     C            -3.53203             4.37805            14.84477
     C            -4.37346             3.48041            14.14570
     C            -5.01138             2.41662            14.84913
     C            -5.50462             1.24379            14.17703
     C            -5.59740            -0.00723            14.87078
     C            -5.51229            -1.24141            14.17354
     C            -5.07228            -2.42394            14.84681
     C            -4.42968            -3.47797            14.14079
     C            -3.52202            -4.33212            14.84329
     C            -2.44456            -4.94302            14.13319
     C            -1.27139            -5.34184            14.82495
     C            -0.03570            -5.32305            14.12855
     C             1.17346            -5.22110            14.85124
     C             2.32576            -4.87584            14.14082
     C             3.37115            -4.21108            14.85214
     C             4.29301            -3.40801            14.11996
     C             4.94128            -2.34852            14.83476
     C             5.40439            -1.24414            14.13198
     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            -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             7.87750             0.25559            10.75680
     C             7.89283            -0.30145            12.10001
     C             9.06797             0.52064            10.13221
     H             8.95518             1.14895             9.15347
     C            10.34393             0.31397            10.74030
     H            11.31431             0.68101            10.40269
     C            10.37444            -0.45774            11.95043
     H            11.26782            -0.97903            12.30173
     C             9.09847            -0.70841            12.64315
     H             9.24174            -1.21979            13.67910
          178
 Energy:   -1209.401454287953    
     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             5.51939            -0.00019             7.82398
     C             5.34014             1.22491             8.52893
     C             4.95275             2.38735             7.78276
     C             4.38133             3.46697             8.48753
     C             3.43115             4.24480             7.80511
     C             2.38020             4.82540             8.51645
     C             1.20249             5.18147             7.77020
     C            -0.00802             5.29924             8.48944
     C            -1.23353             5.33343             7.77206
     C            -2.41329             4.94206             8.49385
     C            -3.46841             4.29314             7.76931
     C            -4.37122             3.45421             8.50798
     C            -4.98851             2.37759             7.78759
     C            -5.53265             1.23758             8.49646
     C            -5.60997             0.00195             7.77556
     C            -5.49424            -1.22038             8.47781
     C            -4.96389            -2.35301             7.77442
     C            -4.39165            -3.43959             8.48178
     C            -3.50337            -4.31082             7.76766
     C            -2.48434            -4.99570             8.50753
     C            -1.28567            -5.31949             7.76864
     C            -0.05239            -5.29611             8.48476
     C             1.17506            -5.19587             7.76778
     C             2.34748            -4.79165             8.49042
     C             3.40999            -4.23804             7.78672
     C             4.33535            -3.43545             8.48682
     C             4.97313            -2.37660             7.77967
     C             5.44250            -1.24242             8.52040
     C             6.14809             0.04586            10.50595
     C             5.55300             1.28332             9.91485
     C             5.10957             2.42840            10.59393
     C             4.46824             3.48652             9.91106
     C             3.52387             4.32403            10.60418
     C             2.39021             4.83573             9.91879
     C             1.19341             5.06366            10.63304
     C            -0.00991             5.18986             9.91672
     C            -1.23431             5.20881            10.63909
     C            -2.42501             4.93705             9.91666
     C            -3.51895             4.33092            10.59887
     C            -4.36133             3.41105             9.92170
     C            -5.05756             2.37554            10.61428
     C            -5.61114             1.25377             9.93205
     C            -5.84250             0.02233            10.61212
     C            -5.59382            -1.21273             9.91312
     C            -5.07508            -2.36608            10.59603
     C            -4.37223            -3.40087             9.89220
     C            -3.56853            -4.34248            10.59623
     C            -2.49478            -4.98121             9.92470
     C            -1.26582            -5.21754            10.60821
     C            -0.04074            -5.21732             9.90747
     C             1.17905            -5.08775            10.61657
     C             2.37597            -4.80814             9.89098
     C             3.51274            -4.30034            10.58693
     C             4.44343            -3.47774             9.88719
     C             5.10198            -2.41952            10.58972
     C             5.62248            -1.28470             9.92453
     C             6.23216            -0.04868            12.07264
     C             5.67767             1.27900            12.71959
     C             5.14833             2.41317            12.02399
     C             4.46024             3.47495            12.71168
     C             3.53795             4.30684            12.02870
     C             2.39449             4.75615            12.73692
     C             1.19339             4.99447            12.03640
     C            -0.02072             5.17324            12.75008
     C            -1.26440             5.22661            12.04805
     C            -2.48817             4.97874            12.72418
     C            -3.55093             4.33929            12.02297
     C            -4.35461             3.40218            12.71864
     C            -5.03888             2.36471            12.04203
     C            -5.55047             1.23985            12.73630
     C            -5.84597            -0.00204            12.04343
     C            -5.62801            -1.26164            12.72109
     C            -5.11118            -2.38744            12.02528
     C            -4.38462            -3.40459            12.69790
     C            -3.50741            -4.28857            12.01598
     C            -2.44463            -4.88713            12.73694
     C            -1.26959            -5.20812            12.01830
     C            -0.02085            -5.25924            12.73099
     C             1.21048            -5.16876            12.02224
     C             2.40891            -4.88488            12.70619
     C             3.49826            -4.35342            12.00725
     C             4.41151            -3.47526            12.69850
     C             5.07485            -2.39556            12.02934
     C             5.55191            -1.26514            12.72942
     C             5.49132             0.01188            14.84242
     C             5.44139             1.23536            14.12016
     C             4.95453             2.37548            14.85670
     C             4.38108             3.45288            14.14516
     C             3.40744             4.21065            14.84757
     C             2.34321             4.76143            14.14109
     C             1.17029             5.16507            14.89126
     C            -0.04308             5.23669            14.16996
     C            -1.27769             5.31135            14.87666
     C            -2.47648             5.00415            14.13312
     C            -3.47616             4.33479            14.86108
     C            -4.35398             3.44303            14.14021
     C            -4.93816             2.36139            14.86677
     C            -5.48357             1.24445            14.16314
     C            -5.61420             0.00439            14.86019
     C            -5.55282            -1.25541            14.15078
     C            -5.00770            -2.38039            14.86248
     C            -4.37142            -3.43906            14.12911
     C            -3.46352            -4.27267            14.86675
     C            -2.44822            -4.94380            14.14718
     C            -1.26802            -5.35596            14.86825
     C            -0.03194            -5.32370            14.16223
     C             1.19191            -5.21586            14.87102
     C             2.36952            -4.84399            14.12176
     C             3.40200            -4.21950            14.83391
     C             4.35033            -3.43084            14.13353
     C             4.89835            -2.37128            14.86940
     C             5.32684            -1.20981            14.11752
     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            -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             7.75512             0.20813            10.76830
     C             7.92982            -0.28148            12.17933
     C             8.97160             0.65628            10.20918
     H             9.07703             1.25323             9.26778
     C            10.18007             0.41883            10.90748
     H            11.02103             1.08406            10.52708
     C            10.23741            -0.60906            11.85618
     H            11.07297            -1.29368            11.89582
     C             9.11596            -0.69960            12.58440
     H             9.06605            -1.28234            13.58176
          178
 Energy:   -1208.678219535925    
     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             5.46917            -0.01180             7.77675
     C             5.28823             1.22094             8.48889
     C             4.94338             2.37484             7.77697
     C             4.40353             3.47753             8.48181
     C             3.47800             4.30441             7.77242
     C             2.36813             4.86288             8.48611
     C             1.21540             5.21363             7.78409
     C            -0.01980             5.29598             8.47892
     C            -1.24922             5.32014             7.78332
     C            -2.40923             4.94231             8.48266
     C            -3.41051             4.22565             7.80245
     C            -4.29874             3.35602             8.48457
     C            -4.96910             2.32809             7.80051
     C            -5.52482             1.23203             8.49552
     C            -5.62687             0.01480             7.78284
     C            -5.45841            -1.19655             8.49619
     C            -4.96901            -2.30011             7.77660
     C            -4.32957            -3.34413             8.46306
     C            -3.46953            -4.23942             7.78812
     C            -2.48605            -4.98667             8.46224
     C            -1.26924            -5.30678             7.80251
     C            -0.03214            -5.29184             8.48893
     C             1.19302            -5.20802             7.77899
     C             2.34359            -4.83568             8.47618
     C             3.45520            -4.28139             7.76306
     C             4.38074            -3.45791             8.46738
     C             5.01250            -2.40277             7.78143
     C             5.39451            -1.25138             8.49142
     C             6.02599             0.00882            10.49358
     C             5.46962             1.28506             9.88371
     C             5.03547             2.40758            10.62989
     C             4.44142             3.51032             9.89098
     C             3.53557             4.30714            10.61022
     C             2.41146             4.85128             9.91505
     C             1.18464             5.05274            10.61232
     C            -0.03726             5.27634             9.89550
     C            -1.26482             5.23969            10.61334
     C            -2.46305             4.96037             9.89944
     C            -3.48347             4.25353            10.61972
     C            -4.34516             3.35912             9.90713
     C            -5.07946             2.34879            10.61428
     C            -5.67338             1.25256             9.90058
     C            -5.91035            -0.00348            10.59499
     C            -5.65813            -1.23412             9.88254
     C            -5.08780            -2.32346            10.60015
     C            -4.39116            -3.35503             9.89029
     C            -3.52514            -4.25659            10.61504
     C            -2.51423            -4.99884             9.88816
     C            -1.30921            -5.27727            10.61812
     C            -0.05858            -5.27577             9.90354
     C             1.18358            -5.07701            10.58453
     C             2.39215            -4.81141             9.89725
     C             3.52729            -4.31013            10.59892
     C             4.46528            -3.50155             9.89317
     C             5.06846            -2.39534            10.59594
     C             5.57391            -1.28511             9.87243
     C             6.19618             0.00836            12.12672
     C             5.61858             1.30114            12.75063
     C             5.08006             2.39745            12.04414
     C             4.46758             3.48674            12.74172
     C             3.54277             4.31089            12.01635
     C             2.39388             4.79456            12.73295
     C             1.16213             4.97093            12.03450
     C            -0.05149             5.19053            12.75768
     C            -1.27574             5.24874            12.04047
     C            -2.49826             5.00861            12.75633
     C            -3.50972             4.28210            12.03442
     C            -4.35066             3.36486            12.74618
     C            -5.03513             2.32655            12.01932
     C            -5.63248             1.23019            12.73467
     C            -5.90982             0.00342            12.03311
     C            -5.71310            -1.25096            12.72791
     C            -5.12582            -2.36304            12.01010
     C            -4.35161            -3.33986            12.74021
     C            -3.48128            -4.21051            12.03239
     C            -2.46573            -4.94737            12.74842
     C            -1.25801            -5.26927            12.04658
     C            -0.02760            -5.35435            12.74121
     C             1.18330            -5.15267            12.00688
     C             2.40367            -4.90410            12.72232
     C             3.52407            -4.29763            12.01041
     C             4.40725            -3.46391            12.73480
     C             4.99284            -2.37160            12.00137
     C             5.48036            -1.25100            12.72490
     C             5.46670             0.01567            14.86224
     C             5.40053             1.23491            14.13834
     C             4.99859             2.37919            14.84279
     C             4.38413             3.46941            14.15295
     C             3.45034             4.27177            14.88065
     C             2.33323             4.77792            14.15295
     C             1.19986             5.17881            14.84121
     C            -0.03751             5.24216            14.16280
     C            -1.25693             5.26892            14.85219
     C            -2.45321             4.98370            14.18309
     C            -3.47469             4.25869            14.86149
     C            -4.30236             3.37676            14.15901
     C            -4.92949             2.32952            14.84909
     C            -5.43571             1.21062            14.13584
     C            -5.62814            -0.00707            14.84480
     C            -5.55805            -1.24137            14.14565
     C            -4.97973            -2.34705            14.84083
     C            -4.29506            -3.35702            14.14680
     C            -3.43033            -4.22984            14.85230
     C            -2.41627            -4.95016            14.17354
     C            -1.24964            -5.31547            14.86408
     C            -0.02544            -5.35462            14.15228
     C             1.22617            -5.24031            14.83191
     C             2.37741            -4.83380            14.14036
     C             3.47593            -4.29088            14.86962
     C             4.36358            -3.45994            14.14328
     C             4.93224            -2.34161            14.83543
     C             5.29248            -1.18596            14.14105
     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            -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             7.64181             0.15730            10.78319
     C             7.80475            -0.22701            12.24295
     C             8.81066             0.78589            10.31535
     H             8.77870             1.27996             9.38536
     C            10.01487             0.51612            10.96575
     H            11.04509             1.07116            10.91156
     C            10.09740            -0.65978            11.69345
     H            10.99181            -1.29582            11.73304
     C             9.05866            -0.80311            12.69045
     H             9.35112            -1.46860            13.60422
          178
 Energy:   -1208.764226100557    
     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             5.40714            -0.01038             7.76872
     C             5.29914             1.19977             8.45444
     C             4.94175             2.38733             7.76798
     C             4.39654             3.49889             8.46699
     C             3.50849             4.37378             7.77100
     C             2.42109             4.90977             8.48685
     C             1.19675             5.28061             7.79037
     C            -0.02103             5.34884             8.49819
     C            -1.23933             5.28498             7.78929
     C            -2.43633             4.93655             8.50324
     C            -3.39119             4.17857             7.77346
     C            -4.20672             3.26300             8.50047
     C            -4.97066             2.33158             7.75619
     C            -5.52897             1.23595             8.46746
     C            -5.62021             0.02314             7.76537
     C            -5.48594            -1.17864             8.47231
     C            -4.97281            -2.31278             7.77146
     C            -4.24949            -3.27936             8.51312
     C            -3.43363            -4.20703             7.77009
     C            -2.44971            -4.95843             8.48795
     C            -1.24093            -5.29655             7.77417
     C            -0.03647            -5.32995             8.50801
     C             1.18885            -5.24596             7.79830
     C             2.41217            -4.87965             8.48893
     C             3.49046            -4.32245             7.78925
     C             4.44527            -3.51754             8.48034
     C             5.02959            -2.43628             7.75532
     C             5.38942            -1.24089             8.43271
     C             6.00057             0.02629            10.50940
     C             5.34637             1.22782             9.85034
     C             5.00576             2.35795            10.60290
     C             4.41472             3.45130             9.91699
     C             3.51467             4.33708            10.61143
     C             2.39509             4.84019             9.89516
     C             1.17009             5.07163            10.59614
     C            -0.03816             5.34080             9.90462
     C            -1.28908             5.30040            10.60266
     C            -2.48383             4.92941             9.91418
     C            -3.47246             4.18588            10.62246
     C            -4.32602             3.30449             9.90649
     C            -5.10923             2.32987            10.58967
     C            -5.68207             1.22002             9.88852
     C            -5.96369            -0.00232            10.58562
     C            -5.65914            -1.21303             9.89658
     C            -5.13880            -2.33936            10.59922
     C            -4.37283            -3.31895             9.91298
     C            -3.48090            -4.16689            10.59861
     C            -2.51355            -4.95806             9.91008
     C            -1.30610            -5.34346            10.61051
     C            -0.06269            -5.32466             9.91305
     C             1.16351            -5.12084            10.59854
     C             2.38114            -4.81226             9.89744
     C             3.52619            -4.31589            10.60689
     C             4.44381            -3.46425             9.89878
     C             5.06269            -2.36595            10.58108
     C             5.47781            -1.25204             9.83708
     C             6.08774             0.00468            12.20033
     C             5.54886             1.27411            12.78501
     C             5.06033             2.38230            12.05301
     C             4.42702             3.47039            12.75628
     C             3.52112             4.30661            12.04582
     C             2.36250             4.78660            12.72397
     C             1.14693             5.02704            12.01679
     C            -0.06029             5.20699            12.71576
     C            -1.29515             5.27032            12.02439
     C            -2.47982             4.97853            12.74949
     C            -3.47420             4.22472            12.06088
     C            -4.33490             3.32453            12.73329
     C            -5.08140             2.32319            12.03127
     C            -5.63509             1.20447            12.71564
     C            -5.96262            -0.00783            12.01357
     C            -5.73412            -1.23270            12.73404
     C            -5.13851            -2.32542            12.03687
     C            -4.32626            -3.27000            12.74183
     C            -3.45493            -4.17819            12.04504
     C            -2.45878            -4.95651            12.73856
     C            -1.29157            -5.35396            12.03317
     C            -0.02644            -5.42444            12.71498
     C             1.18560            -5.15909            12.01723
     C             2.39798            -4.84778            12.71321
     C             3.49826            -4.29554            12.03873
     C             4.37516            -3.39958            12.73426
     C             4.98182            -2.31384            12.02977
     C             5.39158            -1.18937            12.75191
     C             5.44757             0.01531            14.85050
     C             5.40112             1.26003            14.17541
     C             5.02386             2.43473            14.88494
     C             4.40776             3.47063            14.17733
     C             3.49928             4.31866            14.84265
     C             2.40170             4.84035            14.13903
     C             1.19535             5.21606            14.85881
     C            -0.01672             5.28452            14.12586
     C            -1.22390             5.25199            14.87367
     C            -2.45207             4.93644            14.16702
     C            -3.44016             4.23209            14.87731
     C            -4.25902             3.30191            14.14751
     C            -4.96300             2.30096            14.86283
     C            -5.44514             1.16954            14.13845
     C            -5.61211            -0.01507            14.87765
     C            -5.55899            -1.22898            14.15613
     C            -4.98992            -2.32139            14.87207
     C            -4.22096            -3.27204            14.16006
     C            -3.40517            -4.21629            14.86567
     C            -2.41516            -4.93039            14.14640
     C            -1.20060            -5.27646            14.84766
     C             0.01719            -5.42157            14.13106
     C             1.21156            -5.28581            14.86376
     C             2.40723            -4.89612            14.14964
     C             3.51856            -4.36376            14.85925
     C             4.39394            -3.45239            14.16849
     C             4.96357            -2.37430            14.86582
     C             5.30919            -1.19722            14.12619
     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            -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             7.55906             0.15857            10.89997
     C             7.72337            -0.29608            12.36050
     C             8.61622             0.88439            10.35182
     H             8.45240             1.57390             9.61683
     C             9.86300             0.58200            10.94436
     H            10.74330             1.34651            10.77059
     C             9.91888            -0.66658            11.68751
     H            10.86976            -1.23362            11.64396
     C             8.89818            -0.87913            12.66274
     H             9.10885            -1.42137            13.58000
          178
 Energy:   -1208.497254412816    
     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             5.40473            -0.01312             7.75440
     C             5.27888             1.22384             8.47272
     C             4.95478             2.41547             7.77731
     C             4.38565             3.49493             8.50838
     C             3.52435             4.39374             7.79430
     C             2.41164             4.99613             8.48657
     C             1.24537             5.34018             7.79217
     C            -0.01547             5.43873             8.50888
     C            -1.24716             5.27949             7.79219
     C            -2.42810             4.89701             8.49053
     C            -3.39737             4.16554             7.78194
     C            -4.16747             3.23687             8.49597
     C            -4.96996             2.34431             7.79005
     C            -5.55450             1.24006             8.45386
     C            -5.61371             0.00979             7.74949
     C            -5.54749            -1.21791             8.47262
     C            -4.96328            -2.33041             7.80211
     C            -4.21212            -3.28651             8.50943
     C            -3.39494            -4.19565             7.80813
     C            -2.40195            -4.89412             8.51110
     C            -1.25756            -5.29601             7.78990
     C            -0.02011            -5.39887             8.49822
     C             1.24285            -5.29279             7.79736
     C             2.40781            -4.93538             8.50875
     C             3.53107            -4.36393             7.78889
     C             4.48799            -3.54638             8.48981
     C             5.04441            -2.45259             7.77242
     C             5.37690            -1.26070             8.46126
     C             5.93438             0.03352            10.53426
     C             5.32909             1.18359             9.87408
     C             4.96630             2.31097            10.61311
     C             4.35637             3.42673             9.90865
     C             3.50230             4.31204            10.62717
     C             2.36165             4.84249             9.90554
     C             1.17189             5.13557            10.59396
     C            -0.05579             5.37265             9.93312
     C            -1.30401             5.35340            10.61458
     C            -2.45656             4.88113             9.92625
     C            -3.46744             4.15601            10.63969
     C            -4.28372             3.23788             9.91697
     C            -5.13628             2.31610            10.61112
     C            -5.65463             1.22324             9.86862
     C            -5.96937             0.01268            10.57884
     C            -5.64168            -1.20849             9.88520
     C            -5.19307            -2.35399            10.63086
     C            -4.30844            -3.26924             9.93560
     C            -3.43545            -4.14616            10.64765
     C            -2.43445            -4.88655             9.93327
     C            -1.30637            -5.38553            10.60539
     C            -0.05271            -5.37518             9.93047
     C             1.18095            -5.18073            10.62341
     C             2.37064            -4.84363             9.93503
     C             3.49349            -4.27832            10.61994
     C             4.41062            -3.43833             9.92106
     C             5.02720            -2.33004            10.61062
     C             5.45680            -1.21607             9.86152
     C             5.91173            -0.01362            12.21119
     C             5.48869             1.28110            12.81736
     C             5.05487             2.35424            12.02721
     C             4.38720             3.41719            12.73027
     C             3.47370             4.28535            12.03509
     C             2.33621             4.78737            12.72487
     C             1.18175             5.10527            11.98766
     C            -0.04950             5.26384            12.68972
     C            -1.29677             5.29634            12.01168
     C            -2.45664             4.88128            12.72337
     C            -3.47251             4.16827            12.02553
     C            -4.31174             3.26644            12.72772
     C            -5.14406             2.33880            12.01120
     C            -5.59486             1.18520            12.73261
     C            -5.98106            -0.00988            12.03008
     C            -5.69767            -1.22354            12.75893
     C            -5.14241            -2.32228            12.03954
     C            -4.26272            -3.23744            12.72829
     C            -3.44436            -4.15024            12.02578
     C            -2.44690            -4.90740            12.70599
     C            -1.30166            -5.44380            12.00575
     C            -0.02841            -5.46491            12.69253
     C             1.20023            -5.19496            12.02557
     C             2.34839            -4.81119            12.74939
     C             3.48393            -4.25960            12.02662
     C             4.33031            -3.35181            12.73130
     C             4.97912            -2.27728            12.01363
     C             5.29151            -1.19373            12.80386
     C             5.45535             0.02013            14.87155
     C             5.42015             1.29124            14.20937
     C             5.04489             2.44616            14.89217
     C             4.43667             3.50631            14.15671
     C             3.50883             4.35289            14.86668
     C             2.40799             4.94111            14.13355
     C             1.24442             5.26559            14.84381
     C            -0.00774             5.33047            14.12251
     C            -1.23704             5.26606            14.83569
     C            -2.38900             4.89557            14.13743
     C            -3.42184             4.19651            14.83844
     C            -4.24836             3.27460            14.14523
     C            -4.97639             2.30448            14.85519
     C            -5.50892             1.18811            14.15157
     C            -5.60178            -0.01839            14.87156
     C            -5.56937            -1.23845            14.17961
     C            -4.98781            -2.33320            14.87038
     C            -4.19920            -3.24153            14.15149
     C            -3.39637            -4.18709            14.84924
     C            -2.37599            -4.89356            14.13932
     C            -1.20819            -5.28537            14.83938
     C             0.01484            -5.48346            14.12603
     C             1.26115            -5.34192            14.85001
     C             2.42669            -4.99534            14.13997
     C             3.51897            -4.37234            14.83857
     C             4.39338            -3.47264            14.14724
     C             4.99360            -2.40445            14.88375
     C             5.31335            -1.23161            14.20005
     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            -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             7.44055             0.23234            10.98598
     C             7.55333            -0.37718            12.30994
     C             8.43934             0.93218            10.42572
     H             8.31493             1.81488             9.89004
     C             9.67476             0.57280            10.88062
     H            10.57768             1.18834            10.61966
     C             9.79932            -0.53566            11.75246
     H            10.66742            -1.21268            11.69404
     C             8.80183            -0.91998            12.61658
     H             8.87202            -1.57404            13.41764
          178
 Energy:   -1208.629886944086    
     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             5.44561            -0.01177             7.81222
     C             5.25850             1.21148             8.50259
     C             4.96854             2.41567             7.79800
     C             4.35425             3.48830             8.50693
     C             3.48674             4.38444             7.79371
     C             2.43939             5.03008             8.51614
     C             1.22291             5.42056             7.79397
     C            -0.00670             5.50603             8.49384
     C            -1.22635             5.32841             7.79075
     C            -2.36189             4.84529             8.50699
     C            -3.39372             4.18614             7.79314
     C            -4.21656             3.26284             8.52384
     C            -4.98042             2.32325             7.77707
     C            -5.56149             1.21713             8.46891
     C            -5.64680            -0.01777             7.79005
     C            -5.56727            -1.25157             8.47510
     C            -4.97273            -2.34887             7.77601
     C            -4.24145            -3.30374             8.53134
     C            -3.38215            -4.18860             7.79222
     C            -2.34856            -4.82278             8.52550
     C            -1.21388            -5.32110             7.80682
     C             0.02122            -5.46823             8.49587
     C             1.23841            -5.35922             7.79060
     C             2.43307            -4.96251             8.52452
     C             3.53026            -4.40612             7.80184
     C             4.45961            -3.54240             8.50668
     C             5.05841            -2.43928             7.79492
     C             5.36965            -1.23954             8.52467
     C             5.80433             0.02367            10.56269
     C             5.34453             1.25692             9.88449
     C             4.90633             2.32505            10.62425
     C             4.32027             3.39499             9.93948
     C             3.42380             4.25239            10.60629
     C             2.38568             4.89067             9.91473
     C             1.17128             5.21968            10.59834
     C            -0.05260             5.42999             9.90064
     C            -1.30148             5.34937            10.60455
     C            -2.42802             4.85018             9.89747
     C            -3.43464             4.13448            10.59011
     C            -4.24375             3.21144             9.92124
     C            -5.11771             2.33205            10.59514
     C            -5.66480             1.22574             9.88319
     C            -5.90788             0.00021            10.59910
     C            -5.68480            -1.23485             9.90216
     C            -5.14674            -2.35105            10.60961
     C            -4.26200            -3.25332             9.94379
     C            -3.39262            -4.13769            10.62004
     C            -2.37329            -4.80984             9.92660
     C            -1.25757            -5.40068            10.60397
     C            -0.00300            -5.45355             9.90273
     C             1.20052            -5.24858            10.62081
     C             2.39715            -4.89150             9.93322
     C             3.43289            -4.22315            10.62543
     C             4.39419            -3.42350             9.92597
     C             4.97031            -2.31263            10.62264
     C             5.48603            -1.25480             9.90986
     C             5.74584            -0.02354            12.20697
     C             5.45562             1.28213            12.81777
     C             4.99798             2.33928            12.04242
     C             4.35929             3.41075            12.71231
     C             3.43569             4.21337            12.01916
     C             2.37634             4.84143            12.73272
     C             1.17898             5.18409            12.01784
     C            -0.01801             5.37086            12.72187
     C            -1.27686             5.30071            12.03110
     C            -2.41224             4.78612            12.70025
     C            -3.46011             4.11399            12.02297
     C            -4.32154             3.24166            12.72085
     C            -5.14770             2.32456            12.04076
     C            -5.62799             1.20662            12.74429
     C            -5.91063            -0.00629            12.04979
     C            -5.66779            -1.23712            12.76294
     C            -5.11987            -2.34750            12.05421
     C            -4.24273            -3.22279            12.72794
     C            -3.39481            -4.13328            12.05495
     C            -2.38686            -4.88256            12.72037
     C            -1.28615            -5.46154            12.03737
     C            -0.03838            -5.51476            12.72984
     C             1.16997            -5.24397            12.03866
     C             2.37053            -4.84091            12.72798
     C             3.40222            -4.19070            12.04198
     C             4.30893            -3.38154            12.71381
     C             4.88788            -2.31401            12.05761
     C             5.20746            -1.23772            12.87033
     C             5.49379             0.02061            14.88908
     C             5.44152             1.25769            14.20327
     C             5.04760             2.46709            14.85720
     C             4.42306             3.53665            14.13486
     C             3.49912             4.37997            14.84101
     C             2.43257             4.97725            14.14208
     C             1.22350             5.35247            14.83954
     C             0.01754             5.38109            14.12299
     C            -1.21444             5.30703            14.84307
     C            -2.38150             4.81787            14.10986
     C            -3.39069             4.17880            14.84510
     C            -4.25783             3.29255            14.12545
     C            -4.98854             2.33821            14.86328
     C            -5.54640             1.23026            14.16488
     C            -5.63661            -0.00431            14.86884
     C            -5.56397            -1.24639            14.17579
     C            -4.98403            -2.35484            14.85088
     C            -4.21418            -3.28355            14.12211
     C            -3.36603            -4.16603            14.84061
     C            -2.35171            -4.83209            14.11968
     C            -1.22220            -5.34346            14.85517
     C             0.00504            -5.51640            14.13798
     C             1.24814            -5.43732            14.82943
     C             2.46045            -5.02205            14.14426
     C             3.48568            -4.35668            14.86138
     C             4.36159            -3.47905            14.12805
     C             4.99713            -2.44792            14.86967
     C             5.29658            -1.21336            14.24552
     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            -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             7.23267             0.29888            10.93310
     C             7.40868            -0.45867            12.23201
     C             8.33302             1.01837            10.51728
     H             8.17055             1.87024             9.82001
     C             9.59126             0.54504            10.82755
     H            10.45077             0.88288            10.30834
     C             9.74922            -0.41991            11.82010
     H            10.76186            -0.86800            11.85995
     C             8.62847            -0.91054            12.59633
     H             8.83982            -1.71814            13.17369
          178
 Energy:   -1208.272995518699    
     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             5.48150            -0.00711             7.80816
     C             5.28981             1.23176             8.49485
     C             4.94266             2.39246             7.77504
     C             4.31858             3.46428             8.49663
     C             3.44303             4.34102             7.78425
     C             2.40926             5.05032             8.48529
     C             1.25572             5.46696             7.79323
     C            -0.00311             5.56329             8.47704
     C            -1.21214             5.37210             7.77014
     C            -2.31337             4.81994             8.47458
     C            -3.39185             4.19071             7.79046
     C            -4.29042             3.31079             8.47334
     C            -4.99671             2.31065             7.78069
     C            -5.55103             1.19555             8.49724
     C            -5.68600            -0.03197             7.76249
     C            -5.57052            -1.26344             8.49062
     C            -5.01793            -2.36673             7.78827
     C            -4.27772            -3.33124             8.49305
     C            -3.38600            -4.17715             7.79162
     C            -2.28290            -4.78173             8.47623
     C            -1.17195            -5.32849             7.77481
     C             0.03818            -5.54195             8.49337
     C             1.27715            -5.40337             7.79168
     C             2.43610            -5.01629             8.48556
     C             3.51936            -4.37754             7.79033
     C             4.40289            -3.49886             8.50506
     C             5.02272            -2.42178             7.79534
     C             5.40747            -1.25492             8.51802
     C             5.63855             0.06388            10.58150
     C             5.27247             1.28229             9.87134
     C             4.88768             2.36654            10.65289
     C             4.25715             3.40916             9.90284
     C             3.34241             4.18743            10.62051
     C             2.37212             4.97946             9.91969
     C             1.18915             5.31082            10.62185
     C            -0.02184             5.51000             9.89746
     C            -1.24011             5.30854            10.60739
     C            -2.37625             4.83684             9.90570
     C            -3.37715             4.10560            10.60361
     C            -4.26404             3.24846             9.89743
     C            -5.08768             2.31364            10.62243
     C            -5.67328             1.20990             9.92677
     C            -5.83359            -0.02469            10.63764
     C            -5.70925            -1.27680             9.91390
     C            -5.05197            -2.33825            10.62993
     C            -4.26579            -3.28583             9.91414
     C            -3.34307            -4.10046            10.63390
     C            -2.29425            -4.79184             9.92266
     C            -1.19418            -5.37134            10.62179
     C             0.02613            -5.54847             9.90849
     C             1.22930            -5.32869            10.62564
     C             2.40564            -4.93546             9.91556
     C             3.38330            -4.17874            10.61811
     C             4.33903            -3.42043             9.93403
     C             4.92821            -2.35975            10.68205
     C             5.44753            -1.26894             9.92410
     C             5.68669            -0.07596            12.15327
     C             5.40785             1.23922            12.79727
     C             4.91898             2.33846            12.06392
     C             4.33418             3.44024            12.74127
     C             3.37257             4.17922            12.01585
     C             2.40162             4.92888            12.72061
     C             1.20987             5.27768            12.03860
     C            -0.02990             5.47531            12.73929
     C            -1.23237             5.27926            12.01234
     C            -2.35442             4.73053            12.71777
     C            -3.39660             4.08104            11.98495
     C            -4.33026             3.29297            12.72266
     C            -5.10635             2.31284            12.01252
     C            -5.70296             1.23053            12.76317
     C            -5.80070            -0.02025            12.04692
     C            -5.64102            -1.24888            12.73637
     C            -5.08237            -2.34435            12.01863
     C            -4.24554            -3.29422            12.72059
     C            -3.31952            -4.12148            12.01956
     C            -2.34338            -4.85911            12.74100
     C            -1.23312            -5.41297            12.03190
     C            -0.02181            -5.56386            12.75971
     C             1.18511            -5.30638            12.04248
     C             2.35147            -4.94418            12.72992
     C             3.30009            -4.17172            12.00415
     C             4.26471            -3.47088            12.76343
     C             4.79853            -2.32239            12.08403
     C             5.14968            -1.23956            12.85068
     C             5.53130             0.00507            14.86653
     C             5.43916             1.28110            14.18693
     C             5.03506             2.45090            14.87170
     C             4.39438             3.50828            14.14331
     C             3.50430             4.37174            14.85538
     C             2.41143             5.00181            14.14504
     C             1.25612             5.40812            14.86758
     C            -0.00162             5.48381            14.16040
     C            -1.22671             5.30148            14.84434
     C            -2.32343             4.77890            14.14921
     C            -3.39288             4.15992            14.86648
     C            -4.28469             3.33221            14.14746
     C            -5.02067             2.36734            14.86667
     C            -5.56602             1.23875            14.18089
     C            -5.68251             0.00671            14.87928
     C            -5.54647            -1.22435            14.16340
     C            -4.99811            -2.35693            14.86730
     C            -4.25502            -3.33053            14.15171
     C            -3.34724            -4.16237            14.86552
     C            -2.30619            -4.82372            14.16552
     C            -1.22593            -5.37718            14.85733
     C            -0.00845            -5.57141            14.17830
     C             1.24965            -5.48656            14.87152
     C             2.40261            -5.02424            14.14364
     C             3.45243            -4.33657            14.85619
     C             4.32594            -3.47781            14.17385
     C             4.96957            -2.42724            14.89441
     C             5.26296            -1.24154            14.21110
     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            -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             7.20340             0.32133            10.93429
     C             7.29049            -0.43633            12.18440
     C             8.24268             1.08922            10.53438
     H             8.15621             1.87870             9.67057
     C             9.53391             0.54733            10.79876
     H            10.23027             0.68960            10.08361
     C             9.66902            -0.35635            11.90727
     H            10.61054            -0.56641            12.41546
     C             8.55081            -0.90819            12.47099
     H             8.60119            -1.65263            13.26335
          178
 Energy:   -1208.149724926318    
     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             5.51845            -0.00827             7.77257
     C             5.33210             1.24570             8.46143
     C             4.89834             2.39569             7.76190
     C             4.25894             3.42395             8.47140
     C             3.39731             4.30845             7.78438
     C             2.40435             5.04394             8.49066
     C             1.24319             5.48221             7.75384
     C             0.03596             5.63287             8.48690
     C            -1.20792             5.37115             7.78516
     C            -2.33908             4.83434             8.47949
     C            -3.38897             4.19417             7.76878
     C            -4.32592             3.36766             8.47030
     C            -5.02713             2.32864             7.78730
     C            -5.55179             1.18520             8.49896
     C            -5.69153            -0.02514             7.78500
     C            -5.61165            -1.25357             8.49219
     C            -5.06697            -2.38985             7.78230
     C            -4.30262            -3.37975             8.48045
     C            -3.34770            -4.19671             7.78109
     C            -2.26135            -4.77215             8.48441
     C            -1.15855            -5.30967             7.77872
     C             0.06054            -5.61383             8.48329
     C             1.27841            -5.45202             7.76569
     C             2.47365            -5.05292             8.47865
     C             3.47381            -4.32055             7.77586
     C             4.32787            -3.43990             8.50676
     C             4.96768            -2.40876             7.77618
     C             5.45194            -1.26856             8.48846
     C             5.63268             0.04332            10.56236
     C             5.13791             1.26436             9.86484
     C             4.85633             2.40478            10.60690
     C             4.19628             3.41897             9.90272
     C             3.26157             4.21485            10.60437
     C             2.35578             5.01663             9.90115
     C             1.21831             5.44618            10.63263
     C             0.01963             5.58227             9.91175
     C            -1.17437             5.27208            10.60253
     C            -2.29649             4.79456             9.88110
     C            -3.32669             4.07304            10.57106
     C            -4.33136             3.31192             9.87722
     C            -5.04716             2.30029            10.60130
     C            -5.61127             1.17645             9.91859
     C            -5.79337            -0.05252            10.62715
     C            -5.62579            -1.27074             9.92458
     C            -5.00569            -2.35103            10.59301
     C            -4.26231            -3.33833             9.88932
     C            -3.24994            -4.08586            10.57249
     C            -2.23959            -4.77640             9.87761
     C            -1.16053            -5.31793            10.61962
     C             0.04537            -5.62768             9.91896
     C             1.26484            -5.43460            10.61931
     C             2.37696            -4.97451             9.87701
     C             3.30260            -4.21489            10.59388
     C             4.26965            -3.39659             9.92789
     C             4.91793            -2.36392            10.66253
     C             5.31212            -1.25372             9.90701
     C             5.68493            -0.06995            12.16456
     C             5.31589             1.23166            12.77379
     C             4.88255             2.34071            12.05069
     C             4.27704             3.42344            12.76635
     C             3.32727             4.22663            12.04473
     C             2.37223             4.99539            12.75041
     C             1.21297             5.42849            12.04337
     C             0.00489             5.55224            12.75164
     C            -1.19772             5.23396            12.03120
     C            -2.28353             4.71581            12.75008
     C            -3.31241             4.06632            12.03888
     C            -4.32352             3.34181            12.72763
     C            -5.08141             2.34219            12.06213
     C            -5.67535             1.24003            12.74222
     C            -5.75289            -0.01312            12.06222
     C            -5.55973            -1.25109            12.75251
     C            -4.99577            -2.37238            12.04713
     C            -4.27730            -3.37235            12.74163
     C            -3.28500            -4.10410            12.03287
     C            -2.29400            -4.82281            12.75595
     C            -1.18110            -5.33084            12.05270
     C             0.02057            -5.59705            12.75965
     C             1.20112            -5.44723            12.02813
     C             2.32248            -5.00560            12.75834
     C             3.27121            -4.26116            12.05068
     C             4.18193            -3.45127            12.77856
     C             4.74124            -2.39347            12.08451
     C             5.07162            -1.25266            12.78825
     C             5.52555            -0.00055            14.84876
     C             5.42744             1.24414            14.16822
     C             5.00914             2.41385            14.87636
     C             4.35741             3.47064            14.19763
     C             3.46208             4.35146            14.86990
     C             2.43541             5.02111            14.15603
     C             1.24610             5.43214            14.85147
     C             0.00703             5.61020            14.17901
     C            -1.20586             5.29078            14.88901
     C            -2.31136             4.74513            14.15115
     C            -3.38153             4.18132            14.85317
     C            -4.33815             3.37268            14.14418
     C            -5.06255             2.37411            14.86052
     C            -5.61762             1.24665            14.17443
     C            -5.68864            -0.00121            14.87241
     C            -5.53459            -1.22476            14.16156
     C            -5.01952            -2.34807            14.85328
     C            -4.29214            -3.36488            14.15600
     C            -3.35853            -4.18802            14.86842
     C            -2.31709            -4.84828            14.16785
     C            -1.19543            -5.38147            14.89001
     C             0.02435            -5.66285            14.18532
     C             1.23103            -5.46931            14.88082
     C             2.35207            -5.02443            14.16859
     C             3.37555            -4.35269            14.87291
     C             4.29159            -3.48985            14.19553
     C             4.90291            -2.39652            14.87001
     C             5.24839            -1.22623            14.17952
     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            -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             7.13461             0.40020            10.88281
     C             7.28436            -0.38607            12.13758
     C             8.24843             1.05558            10.45731
     H             8.14162             1.99390             9.74580
     C             9.45767             0.54823            10.81918
     H            10.30842             0.63766            10.21758
     C             9.59322            -0.24680            11.94648
     H            10.53047            -0.22424            12.48024
     C             8.44497            -0.93297            12.45305
     H             8.60899            -1.58305            13.39740
          178
 Energy:   -1208.158997255401    
     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             5.57163             0.00054             7.80016
     C             5.28451             1.22259             8.46677
     C             4.89496             2.38763             7.77673
     C             4.16768             3.40271             8.49845
     C             3.36598             4.30231             7.77131
     C             2.37751             5.03476             8.47718
     C             1.24239             5.47549             7.79177
     C             0.00628             5.67051             8.48954
     C            -1.19452             5.36339             7.80813
     C            -2.34034             4.87362             8.48108
     C            -3.41209             4.22064             7.79491
     C            -4.35155             3.39174             8.49102
     C            -5.04947             2.38281             7.77710
     C            -5.54041             1.23065             8.47452
     C            -5.66881            -0.02004             7.77341
     C            -5.62015            -1.28905             8.47548
     C            -5.08639            -2.42645             7.77963
     C            -4.31537            -3.42169             8.46902
     C            -3.35008            -4.20601             7.77879
     C            -2.25829            -4.79819             8.47848
     C            -1.14310            -5.31442             7.79634
     C             0.05344            -5.65282             8.48394
     C             1.29218            -5.50508             7.77236
     C             2.43301            -5.06926             8.45680
     C             3.41550            -4.28989             7.79113
     C             4.23093            -3.38639             8.49754
     C             4.95652            -2.38296             7.78275
     C             5.40272            -1.23850             8.47908
     C             5.61665             0.04626            10.50460
     C             5.08557             1.20842             9.82878
     C             4.77114             2.36091            10.58830
     C             4.12903             3.43978             9.90002
     C             3.28545             4.28568            10.64138
     C             2.33082             5.03208             9.90241
     C             1.26657             5.61049            10.61592
     C             0.03000             5.65453             9.90979
     C            -1.14668             5.24426            10.62487
     C            -2.26152             4.71238             9.89681
     C            -3.29625             4.06467            10.61617
     C            -4.33828             3.37323             9.92369
     C            -5.03351             2.32442            10.62485
     C            -5.50114             1.17156             9.90165
     C            -5.74969            -0.03318            10.62783
     C            -5.50578            -1.25647             9.90152
     C            -4.98366            -2.40519            10.62478
     C            -4.22483            -3.37619             9.89111
     C            -3.22602            -4.07545            10.60381
     C            -2.20286            -4.74580             9.88957
     C            -1.11931            -5.28796            10.62221
     C             0.04130            -5.66960             9.89222
     C             1.26113            -5.58601            10.59565
     C             2.36015            -5.02989             9.88662
     C             3.30851            -4.26510            10.65522
     C             4.16899            -3.40258             9.91422
     C             4.82725            -2.35444            10.60364
     C             5.25647            -1.22501             9.85681
     C             5.66869            -0.05027            12.11791
     C             5.26895             1.23306            12.76902
     C             4.85017             2.36275            12.00771
     C             4.18648             3.39445            12.75326
     C             3.32230             4.29318            12.04726
     C             2.35248             5.04569            12.76709
     C             1.25262             5.59701            12.05152
     C             0.00690             5.62546            12.75860
     C            -1.11767             5.22337            12.04406
     C            -2.23909             4.69960            12.74917
     C            -3.27804             4.05485            12.01003
     C            -4.30103             3.35860            12.73540
     C            -5.07510             2.37830            12.01831
     C            -5.57250             1.23457            12.74395
     C            -5.74984            -0.02495            12.04089
     C            -5.44171            -1.23665            12.74800
     C            -4.95640            -2.36671            12.02807
     C            -4.27769            -3.41087            12.73937
     C            -3.27489            -4.12241            12.00252
     C            -2.26147            -4.77046            12.74895
     C            -1.13675            -5.25847            12.03879
     C             0.01236            -5.65467            12.74688
     C             1.25831            -5.61204            12.03406
     C             2.32314            -5.05820            12.76696
     C             3.31788            -4.36583            12.04674
     C             4.08147            -3.44029            12.75693
     C             4.74759            -2.37643            12.02043
     C             5.06343            -1.22861            12.77399
     C             5.48453            -0.01519            14.86371
     C             5.35976             1.22606            14.15765
     C             4.97872             2.37793            14.85947
     C             4.29077             3.43546            14.16848
     C             3.42710             4.31516            14.87037
     C             2.40818             5.05477            14.18646
     C             1.24485             5.45978            14.87544
     C             0.01156             5.66543            14.16231
     C            -1.17263             5.30918            14.83776
     C            -2.27201             4.76054            14.16848
     C            -3.41626             4.19980            14.85014
     C            -4.37482             3.41248            14.15277
     C            -5.09779             2.39656            14.85517
     C            -5.65579             1.25261            14.16268
     C            -5.66586             0.00296            14.86331
     C            -5.51922            -1.24219            14.17546
     C            -5.00822            -2.39408            14.86438
     C            -4.31289            -3.40364            14.15815
     C            -3.40403            -4.24261            14.84367
     C            -2.32222            -4.88755            14.15973
     C            -1.19321            -5.38647            14.83262
     C             0.00136            -5.70650            14.15833
     C             1.20401            -5.45409            14.87633
     C             2.34882            -5.02129            14.18313
     C             3.37160            -4.33942            14.88605
     C             4.19442            -3.48574            14.15886
     C             4.83724            -2.40571            14.85887
     C             5.18600            -1.22670            14.15055
     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            -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             7.10937             0.44261            10.81811
     C             7.26080            -0.35770            12.09645
     C             8.23061             1.02480            10.30757
     H             8.22079             1.95332             9.62348
     C             9.45941             0.56075            10.83817
     H            10.42597             1.02903            10.43877
     C             9.52162            -0.19928            12.01087
     H            10.47525            -0.31847            12.47752
     C             8.45994            -0.83890            12.54014
     H             8.62445            -1.79314            13.25299
          178
 Energy:   -1208.329490965114    
     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             5.56374             0.01355             7.76890
     C             5.19641             1.21398             8.45205
     C             4.86311             2.39569             7.78936
     C             4.13239             3.37866             8.49470
     C             3.34369             4.30985             7.78066
     C             2.35015             5.01504             8.51007
     C             1.19968             5.47560             7.77518
     C            -0.01162             5.66121             8.49355
     C            -1.22632             5.37945             7.76460
     C            -2.33130             4.85670             8.52589
     C            -3.43611             4.28399             7.81128
     C            -4.35159             3.43394             8.53221
     C            -5.06135             2.42444             7.78493
     C            -5.49693             1.23423             8.47030
     C            -5.63837            -0.01805             7.77096
     C            -5.54152            -1.28766             8.46808
     C            -5.07222            -2.46567             7.77562
     C            -4.31161            -3.43104             8.49927
     C            -3.37551            -4.23738             7.78709
     C            -2.27455            -4.81740             8.49850
     C            -1.16581            -5.35484             7.75892
     C             0.03688            -5.66129             8.46489
     C             1.24972            -5.54725             7.76357
     C             2.37999            -5.04941             8.51294
     C             3.35221            -4.29471             7.77175
     C             4.15060            -3.35672             8.48906
     C             4.92048            -2.38260             7.78310
     C             5.31524            -1.20979             8.46563
     C             5.57815             0.05614            10.49208
     C             5.05495             1.24111             9.82714
     C             4.64877             2.28938            10.59396
     C             4.09351             3.38661             9.92796
     C             3.34489             4.37697            10.64379
     C             2.36770             5.08513             9.92165
     C             1.27221             5.74211            10.61388
     C            -0.00556             5.72663             9.92702
     C            -1.12439             5.22248            10.62161
     C            -2.23359             4.69275             9.93329
     C            -3.29505             4.07191            10.62949
     C            -4.30292             3.37448             9.94113
     C            -5.03564             2.38101            10.60095
     C            -5.42869             1.22814             9.89364
     C            -5.64598            -0.02688            10.57997
     C            -5.44653            -1.27817             9.90156
     C            -4.96915            -2.39610            10.60001
     C            -4.22222            -3.36834             9.90630
     C            -3.24298            -4.10203            10.62088
     C            -2.19632            -4.72067             9.92035
     C            -1.10281            -5.26406            10.60256
     C             0.03047            -5.69957             9.89258
     C             1.28592            -5.73166            10.60708
     C             2.39392            -5.11319             9.92990
     C             3.34360            -4.37126            10.60922
     C             4.08067            -3.38593             9.89942
     C             4.70600            -2.30553            10.57317
     C             5.26864            -1.24483             9.85560
     C             5.65225            -0.03602            12.04035
     C             5.28615             1.24922            12.72428
     C             4.77594             2.33111            12.00898
     C             4.13024             3.38333            12.69783
     C             3.32664             4.34916            12.05970
     C             2.38906             5.12126            12.76630
     C             1.30474             5.73622            12.05058
     C             0.05956             5.71889            12.73276
     C            -1.11461             5.22697            12.03196
     C            -2.21500             4.67919            12.73016
     C            -3.27483             4.05813            12.05271
     C            -4.29305             3.34958            12.71898
     C            -5.05437             2.36768            12.03447
     C            -5.51765             1.22117            12.72641
     C            -5.68937            -0.01064            12.03564
     C            -5.38905            -1.21585            12.74077
     C            -4.94877            -2.36822            12.03194
     C            -4.25465            -3.38549            12.70825
     C            -3.29545            -4.14231            12.03443
     C            -2.23589            -4.75098            12.71656
     C            -1.11323            -5.23131            12.00665
     C             0.02319            -5.73862            12.70804
     C             1.27472            -5.74275            12.03963
     C             2.38737            -5.16192            12.75318
     C             3.34749            -4.41058            12.03079
     C             4.10613            -3.39197            12.69138
     C             4.69506            -2.32258            12.00002
     C             5.10895            -1.23715            12.73979
     C             5.40187            -0.02955            14.84220
     C             5.26865             1.20830            14.14473
     C             4.90397             2.40386            14.85577
     C             4.20534             3.38272            14.10949
     C             3.39150             4.30163            14.84706
     C             2.37626             5.05532            14.17982
     C             1.23687             5.51139            14.88977
     C             0.04473             5.64512            14.16746
     C            -1.18685             5.35578            14.86537
     C            -2.30174             4.77738            14.14104
     C            -3.40823             4.24949            14.85752
     C            -4.37863             3.42750            14.14127
     C            -5.12335             2.43366            14.86513
     C            -5.59152             1.26455            14.16632
     C            -5.64507            -0.00582            14.86706
     C            -5.45059            -1.25527            14.16129
     C            -5.00767            -2.42025            14.86400
     C            -4.31988            -3.45878            14.13120
     C            -3.42567            -4.33218            14.85828
     C            -2.35402            -4.89020            14.11833
     C            -1.24843            -5.41612            14.86201
     C            -0.01784            -5.67232            14.14360
     C             1.19763            -5.46666            14.86430
     C             2.34864            -5.03838            14.15779
     C             3.37076            -4.34539            14.85215
     C             4.12203            -3.38656            14.11713
     C             4.79592            -2.40523            14.86016
     C             5.10518            -1.23486            14.15761
     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            -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             7.15398             0.37290            10.77635
     C             7.25288            -0.30318            12.10966
     C             8.25698             0.96336            10.21180
     H             8.25423             1.54846             9.30491
     C             9.46363             0.66261            10.87761
     H            10.41692             1.31474            10.59321
     C             9.60222            -0.17816            12.02408
     H            10.55803            -0.48279            12.41495
     C             8.41240            -0.71349            12.59340
     H             8.43584            -1.64063            13.30547
          178
 Energy:   -1208.195276962398    
     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             5.43249             0.01350             7.77737
     C             5.14818             1.22816             8.44028
     C             4.79332             2.38935             7.74255
     C             4.14037             3.39015             8.51696
     C             3.33426             4.30202             7.80689
     C             2.31326             5.02860             8.51032
     C             1.18900             5.44951             7.78475
     C            -0.04346             5.65019             8.48344
     C            -1.25755             5.39249             7.81883
     C            -2.33007             4.83134             8.52587
     C            -3.44538             4.32364             7.80509
     C            -4.34807             3.47451             8.49689
     C            -5.03614             2.42785             7.80097
     C            -5.43145             1.22797             8.47603
     C            -5.57739            -0.01847             7.79883
     C            -5.42422            -1.25651             8.47395
     C            -5.03153            -2.43130             7.78602
     C            -4.29614            -3.43321             8.50757
     C            -3.39271            -4.28314             7.80566
     C            -2.29789            -4.83765             8.50452
     C            -1.23175            -5.39099             7.80015
     C            -0.01561            -5.68093             8.47464
     C             1.23082            -5.51318             7.78255
     C             2.33904            -5.05663             8.50381
     C             3.30541            -4.29557             7.79464
     C             4.09600            -3.37371             8.47236
     C             4.82604            -2.38058             7.76624
     C             5.27583            -1.23165             8.45558
     C             5.63150             0.04664            10.47925
     C             5.02570             1.21405             9.82738
     C             4.54396             2.26113            10.61726
     C             4.03690             3.37829             9.92269
     C             3.38468             4.42265            10.61374
     C             2.39140             5.22025             9.93262
     C             1.28269             5.79225            10.60666
     C             0.01921             5.75997             9.90659
     C            -1.10999             5.24570            10.63261
     C            -2.23841             4.72808             9.93589
     C            -3.27994             4.09481            10.65487
     C            -4.26012             3.37789             9.91446
     C            -5.03959             2.39673            10.62690
     C            -5.43570             1.22299             9.88636
     C            -5.51797            -0.00163            10.58314
     C            -5.45181            -1.23282             9.87385
     C            -4.95609            -2.35539            10.61301
     C            -4.23767            -3.36559             9.92191
     C            -3.29185            -4.13733            10.61794
     C            -2.23134            -4.73088             9.89030
     C            -1.09466            -5.24823            10.58935
     C             0.06481            -5.72909             9.89182
     C             1.30163            -5.81611            10.60467
     C             2.40578            -5.26126             9.90949
     C             3.39902            -4.44291            10.58645
     C             4.03552            -3.34575             9.88380
     C             4.62008            -2.25792            10.57918
     C             5.23834            -1.22999             9.85074
     C             5.70957            -0.02145            12.08933
     C             5.27387             1.24484            12.72741
     C             4.66886             2.27324            12.00470
     C             4.10696             3.37685            12.69879
     C             3.36162             4.39522            12.02363
     C             2.43665             5.23356            12.74512
     C             1.33024             5.82189            12.03991
     C             0.04613             5.75877            12.74048
     C            -1.08944             5.26799            12.04383
     C            -2.20628             4.69533            12.74220
     C            -3.28804             4.06446            12.05311
     C            -4.29869             3.33796            12.75582
     C            -5.02338             2.35358            12.02673
     C            -5.51622             1.22574            12.74187
     C            -5.56081            -0.00113            11.98958
     C            -5.40769            -1.21787            12.72268
     C            -4.95256            -2.35110            12.00857
     C            -4.24895            -3.36070            12.74721
     C            -3.29331            -4.14675            12.01764
     C            -2.22878            -4.78604            12.71830
     C            -1.09503            -5.28170            12.00163
     C             0.01963            -5.76427            12.73286
     C             1.30606            -5.82950            12.03413
     C             2.45504            -5.27470            12.70455
     C             3.39270            -4.40402            11.99786
     C             4.11160            -3.39643            12.67787
     C             4.61313            -2.27372            11.96843
     C             5.12364            -1.23567            12.73477
     C             5.29833             0.00309            14.84857
     C             5.20281             1.22031            14.10972
     C             4.82086             2.36530            14.82735
     C             4.11381             3.38089            14.11402
     C             3.34954             4.29683            14.84104
     C             2.38748             5.06379            14.15167
     C             1.25643             5.51545            14.86546
     C            -0.00130             5.64096            14.15752
     C            -1.21987             5.37685            14.84471
     C            -2.30268             4.84264            14.13937
     C            -3.42236             4.26156            14.82990
     C            -4.34771             3.44225            14.15339
     C            -5.09496             2.44711            14.86032
     C            -5.48259             1.23521            14.15645
     C            -5.58944            -0.00708            14.85185
     C            -5.37346            -1.22289            14.14554
     C            -4.98879            -2.43056            14.82991
     C            -4.33492            -3.48460            14.14421
     C            -3.46786            -4.35524            14.83122
     C            -2.35298            -4.92486            14.12850
     C            -1.25757            -5.43525            14.84637
     C            -0.03867            -5.63664            14.15260
     C             1.19713            -5.46937            14.85570
     C             2.36527            -5.10580            14.12955
     C             3.35275            -4.31820            14.82005
     C             4.08709            -3.35487            14.09909
     C             4.76085            -2.34583            14.85333
     C             5.09995            -1.19021            14.11372
     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            -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             7.15085             0.26088            10.70702
     C             7.26091            -0.17234            12.13249
     C             8.32054             0.80582            10.18930
     H             8.29631             1.09093             9.22198
     C             9.48865             0.80613            10.97255
     H            10.46082             1.32262            10.52769
     C             9.62061            -0.17008            11.99115
     H            10.64056            -0.43073            12.23929
     C             8.47643            -0.61267            12.61830
     H             8.51516            -1.11654            13.59354
          178
 Energy:   -1207.833168436875    
     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             5.28215            -0.01792             7.77467
     C             5.09761             1.20950             8.47222
     C             4.74424             2.37086             7.79058
     C             4.13130             3.42043             8.50211
     C             3.32363             4.32161             7.78328
     C             2.34755             5.07838             8.50019
     C             1.16177             5.41963             7.77598
     C            -0.01972             5.66374             8.49668
     C            -1.24009             5.38362             7.77959
     C            -2.36034             4.85876             8.51535
     C            -3.43695             4.30577             7.76974
     C            -4.35374             3.46542             8.47705
     C            -4.97637             2.39951             7.76455
     C            -5.38067             1.24029             8.48816
     C            -5.46977             0.01488             7.75854
     C            -5.35244            -1.20445             8.48214
     C            -4.93178            -2.37698             7.78572
     C            -4.29969            -3.42053             8.48950
     C            -3.43176            -4.28665             7.77521
     C            -2.36086            -4.88130             8.48763
     C            -1.23436            -5.43087             7.78338
     C            -0.01503            -5.70819             8.48958
     C             1.15173            -5.45041             7.75888
     C             2.34461            -5.11827             8.46606
     C             3.29845            -4.30512             7.76642
     C             4.07517            -3.36447             8.49046
     C             4.74748            -2.36488             7.76561
     C             5.22330            -1.25011             8.47021
     C             5.66136             0.01661            10.46286
     C             5.01682             1.18532             9.84965
     C             4.48271             2.23350            10.57936
     C             4.00006             3.39597             9.90479
     C             3.34836             4.47681            10.58781
     C             2.45486             5.30566             9.88200
     C             1.29570             5.81664            10.60545
     C             0.04444             5.72389             9.90730
     C            -1.10542             5.33280            10.62511
     C            -2.24626             4.79353             9.93638
     C            -3.27763             4.11106            10.63340
     C            -4.26396             3.38401             9.90995
     C            -5.00386             2.38073            10.59764
     C            -5.43520             1.24593             9.90353
     C            -5.45194             0.02224            10.59925
     C            -5.39593            -1.19194             9.90347
     C            -4.96079            -2.32999            10.60044
     C            -4.27723            -3.35887             9.90378
     C            -3.32497            -4.16660            10.60772
     C            -2.25454            -4.79194             9.91559
     C            -1.09740            -5.27321            10.59601
     C             0.03107            -5.74093             9.90355
     C             1.30252            -5.85173            10.58244
     C             2.50152            -5.33319             9.86865
     C             3.40301            -4.46602            10.55987
     C             4.00912            -3.36869             9.89347
     C             4.56775            -2.23651            10.55534
     C             5.16681            -1.21567             9.84011
     C             5.78835             0.00005            12.10110
     C             5.18898             1.22087            12.73970
     C             4.56528             2.25001            12.01937
     C             4.04858             3.39017            12.72575
     C             3.41340             4.46175            11.99966
     C             2.49246             5.30824            12.69943
     C             1.28609             5.84354            12.05215
     C             0.04759             5.75031            12.75589
     C            -1.10853             5.30649            12.04544
     C            -2.22998             4.76497            12.73857
     C            -3.27609             4.08895            12.06037
     C            -4.26637             3.35413            12.75147
     C            -5.01936             2.38088            12.04264
     C            -5.46405             1.21586            12.71972
     C            -5.45478             0.01049            12.01387
     C            -5.41229            -1.20474            12.70990
     C            -4.94719            -2.35696            12.03299
     C            -4.24268            -3.37632            12.71831
     C            -3.27856            -4.14299            12.03146
     C            -2.26780            -4.85652            12.72640
     C            -1.12204            -5.35950            12.01858
     C             0.06897            -5.73338            12.74618
     C             1.32055            -5.86542            12.03275
     C             2.50390            -5.32230            12.68943
     C             3.40683            -4.48266            11.98534
     C             4.05686            -3.39454            12.69360
     C             4.56086            -2.24737            11.99574
     C             5.10934            -1.17353            12.71657
     C             5.26107             0.04595            14.85854
     C             5.15515             1.23501            14.14312
     C             4.73592             2.35601            14.86413
     C             4.08709             3.36713            14.14650
     C             3.32107             4.30848            14.87530
     C             2.40392             5.13582            14.12858
     C             1.20486             5.47385            14.84788
     C             0.00559             5.68311            14.16448
     C            -1.20396             5.39314            14.86448
     C            -2.34829             4.89169            14.15271
     C            -3.40636             4.28544            14.86405
     C            -4.33813             3.42519            14.17185
     C            -5.00454             2.38545            14.86147
     C            -5.40643             1.23483            14.15027
     C            -5.47249             0.00413            14.86106
     C            -5.34220            -1.21925            14.12454
     C            -4.96653            -2.37480            14.87134
     C            -4.35720            -3.45550            14.14731
     C            -3.45658            -4.34992            14.85515
     C            -2.37955            -4.97106            14.14408
     C            -1.21945            -5.41754            14.86480
     C             0.00188            -5.65012            14.15875
     C             1.20845            -5.46333            14.85634
     C             2.42325            -5.17816            14.12336
     C             3.31981            -4.30604            14.85102
     C             4.10822            -3.37296            14.11826
     C             4.72563            -2.30707            14.83060
     C             5.11665            -1.15704            14.13627
     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            -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             7.22303             0.16316            10.74817
     C             7.39016            -0.10557            12.16221
     C             8.36410             0.64010            10.14867
     H             8.48547             0.89788             9.16866
     C             9.49681             0.84665            10.97968
     H            10.38775             1.45514            10.65241
     C             9.66474            -0.09672            11.96199
     H            10.59795            -0.52511            12.32532
     C             8.55290            -0.44820            12.69622
     H             8.69728            -0.76778            13.65148
          178
 Energy:   -1208.055051367520    
     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             5.22743            -0.01459             7.75033
     C             5.00730             1.15344             8.49089
     C             4.75980             2.36270             7.78098
     C             4.09021             3.43317             8.47886
     C             3.35527             4.37003             7.75141
     C             2.39926             5.16030             8.43026
     C             1.21144             5.43267             7.76806
     C            -0.01282             5.63446             8.47703
     C            -1.21453             5.37749             7.78422
     C            -2.34812             4.94271             8.48884
     C            -3.42176             4.26689             7.80270
     C            -4.31783             3.42790             8.49290
     C            -4.92949             2.38639             7.78368
     C            -5.34342             1.25209             8.47425
     C            -5.38492             0.04439             7.78911
     C            -5.28595            -1.16099             8.49017
     C            -4.86408            -2.29997             7.77241
     C            -4.29931            -3.39574             8.47822
     C            -3.44341            -4.28813             7.78360
     C            -2.37826            -4.97272             8.49312
     C            -1.25756            -5.45169             7.77664
     C            -0.04450            -5.69003             8.46654
     C             1.18448            -5.42974             7.77093
     C             2.39971            -5.17665             8.42610
     C             3.33763            -4.33501             7.77204
     C             4.04090            -3.37772             8.48936
     C             4.74145            -2.36969             7.76938
     C             5.09993            -1.21979             8.46155
     C             5.68862            -0.00005            10.50274
     C             5.04683             1.19529             9.89776
     C             4.45802             2.25665            10.60748
     C             3.99068             3.40168             9.90167
     C             3.37007             4.47806            10.58664
     C             2.45633             5.34928             9.86724
     C             1.31372             5.81245            10.58835
     C             0.05291             5.69559             9.91498
     C            -1.15943             5.40437            10.62554
     C            -2.27178             4.87674             9.91023
     C            -3.28394             4.14322            10.61221
     C            -4.27642             3.40527             9.89408
     C            -4.96352             2.41337            10.62154
     C            -5.38811             1.25848             9.89251
     C            -5.46043             0.04591            10.62580
     C            -5.29146            -1.16761             9.90345
     C            -4.95675            -2.36174            10.61403
     C            -4.28547            -3.38983             9.89521
     C            -3.33157            -4.17236            10.61331
     C            -2.30505            -4.87298             9.90982
     C            -1.16132            -5.35895            10.64582
     C             0.04137            -5.74415             9.90306
     C             1.34644            -5.83517            10.56620
     C             2.48445            -5.36402             9.84034
     C             3.38148            -4.48885            10.57183
     C             4.01809            -3.39309             9.90690
     C             4.52761            -2.27939            10.61603
     C             5.11884            -1.24268             9.87616
     C             5.77235             0.02417            12.09247
     C             5.10404             1.24293            12.74854
     C             4.47830             2.26490            12.00937
     C             3.99491             3.40287            12.72099
     C             3.41549             4.53316            12.01565
     C             2.47240             5.35872            12.73521
     C             1.31579             5.79173            12.01634
     C             0.04263             5.72651            12.74515
     C            -1.15056             5.36897            12.03828
     C            -2.28374             4.87134            12.74852
     C            -3.25824             4.13770            12.02720
     C            -4.23882             3.38598            12.74197
     C            -5.00667             2.42412            12.01486
     C            -5.34562             1.25240            12.74010
     C            -5.43431             0.01542            12.03334
     C            -5.34249            -1.21992            12.74635
     C            -4.95517            -2.37129            12.01094
     C            -4.26022            -3.38949            12.73350
     C            -3.29129            -4.17540            12.02746
     C            -2.31425            -4.95344            12.73677
     C            -1.14682            -5.41470            12.05605
     C             0.07802            -5.70834            12.71380
     C             1.34255            -5.81682            12.00768
     C             2.49166            -5.36340            12.74568
     C             3.42706            -4.52309            11.99808
     C             4.00199            -3.39148            12.69633
     C             4.53569            -2.23460            12.01316
     C             5.10794            -1.17421            12.74548
     C             5.33136             0.02062            14.87914
     C             5.09767             1.24537            14.16842
     C             4.71080             2.37864            14.89810
     C             4.05637             3.39201            14.14960
     C             3.33816             4.36145            14.83791
     C             2.41364             5.19723            14.15924
     C             1.22249             5.45588            14.87409
     C            -0.00623             5.70054            14.17653
     C            -1.21909             5.41709            14.86536
     C            -2.34417             4.94143            14.15947
     C            -3.42335             4.28779            14.86719
     C            -4.27397             3.41756            14.16219
     C            -4.89696             2.34832            14.86994
     C            -5.34708             1.21575            14.14011
     C            -5.37986             0.00468            14.84578
     C            -5.34674            -1.20211            14.16136
     C            -4.93744            -2.35772            14.84740
     C            -4.30768            -3.42740            14.14970
     C            -3.44165            -4.30753            14.85538
     C            -2.38112            -5.00442            14.15759
     C            -1.19737            -5.39347            14.85507
     C             0.04384            -5.65785            14.15633
     C             1.27935            -5.49772            14.86427
     C             2.46332            -5.18705            14.17366
     C             3.36934            -4.34064            14.85617
     C             4.10719            -3.39326            14.13338
     C             4.74414            -2.33781            14.87663
     C             5.09014            -1.16281            14.13925
     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            -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             7.30755             0.10417            10.74649
     C             7.41930            -0.10175            12.25906
     C             8.43353             0.54520            10.06556
     H             8.41028             0.79239             8.99374
     C             9.54270             0.79366            10.86237
     H            10.11939             1.63865            10.68954
     C             9.78623            -0.00872            12.03483
     H            10.84024            -0.33724            12.22492
     C             8.66883            -0.25570            12.85680
     H             8.76729            -0.71221            13.75132
          178
 Energy:   -1208.135642154561    
     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             5.22966            -0.00318             7.78711
     C             4.95461             1.20015             8.50110
     C             4.75268             2.37043             7.77981
     C             4.10162             3.38758             8.48871
     C             3.43145             4.41770             7.77564
     C             2.47509             5.24974             8.45431
     C             1.23731             5.51165             7.75698
     C             0.03940             5.57355             8.48579
     C            -1.19691             5.39915             7.78056
     C            -2.36292             4.98500             8.48676
     C            -3.36471             4.29188             7.79403
     C            -4.23228             3.41797             8.50863
     C            -4.92065             2.41362             7.77464
     C            -5.30589             1.25690             8.51363
     C            -5.39010             0.03930             7.77422
     C            -5.17960            -1.14608             8.51269
     C            -4.85035            -2.30549             7.78120
     C            -4.25626            -3.38098             8.49061
     C            -3.40922            -4.31914             7.80859
     C            -2.42145            -5.03419             8.50375
     C            -1.26529            -5.46053             7.77884
     C            -0.00105            -5.63139             8.48202
     C             1.23183            -5.49129             7.77185
     C             2.45459            -5.21260             8.45606
     C             3.39355            -4.39489             7.77005
     C             4.07595            -3.39356             8.50364
     C             4.74862            -2.39475             7.77917
     C             4.98629            -1.20371             8.51083
     C             5.70137            -0.00930            10.52999
     C             5.06395             1.22018             9.90402
     C             4.49566             2.28508            10.61429
     C             3.99405             3.40294             9.89534
     C             3.38893             4.51698            10.60069
     C             2.47623             5.30727             9.85500
     C             1.29099             5.75935            10.56686
     C             0.01725             5.70499             9.88817
     C            -1.18990             5.45060            10.60891
     C            -2.33088             4.96242             9.88709
     C            -3.29002             4.22738            10.58651
     C            -4.24117             3.44286             9.92302
     C            -4.97546             2.44103            10.60782
     C            -5.32238             1.26668             9.91713
     C            -5.47226             0.03712            10.62115
     C            -5.22140            -1.16831             9.91626
     C            -4.93878            -2.37599            10.59667
     C            -4.26674            -3.41812             9.90702
     C            -3.32062            -4.20803            10.61255
     C            -2.34910            -4.97390             9.91932
     C            -1.18702            -5.49596            10.61806
     C             0.02419            -5.73380             9.90832
     C             1.29442            -5.78623            10.57190
     C             2.45685            -5.31563             9.85799
     C             3.37389            -4.52511            10.60137
     C             4.00880            -3.43272             9.92039
     C             4.55032            -2.30736            10.63461
     C             5.10197            -1.24242             9.90794
     C             5.78171             0.00981            12.11896
     C             5.06804             1.25336            12.75478
     C             4.44707             2.29366            12.03797
     C             3.95931             3.43668            12.70909
     C             3.38086             4.53892            12.04539
     C             2.45795             5.35223            12.77543
     C             1.29048             5.73413            12.02031
     C             0.04806             5.71192            12.71781
     C            -1.18203             5.47164            12.04060
     C            -2.32220             4.97189            12.73669
     C            -3.28803             4.21637            12.00176
     C            -4.21350             3.43747            12.71855
     C            -4.93639             2.44546            12.04010
     C            -5.26428             1.24981            12.74085
     C            -5.45251             0.03020            12.05491
     C            -5.27874            -1.19746            12.74684
     C            -4.95408            -2.39340            12.03952
     C            -4.25371            -3.41426            12.73498
     C            -3.34777            -4.25391            12.03768
     C            -2.36631            -5.01399            12.74597
     C            -1.18255            -5.45472            12.05662
     C             0.06581            -5.71188            12.72333
     C             1.32537            -5.73293            12.02051
     C             2.51159            -5.33396            12.76454
     C             3.40470            -4.50551            12.04890
     C             4.00928            -3.38899            12.73198
     C             4.51759            -2.27681            12.05560
     C             5.10031            -1.22655            12.76245
     C             5.39226             0.01131            14.83058
     C             5.07750             1.21147            14.14718
     C             4.73097             2.39230            14.83013
     C             4.05653             3.42540            14.10408
     C             3.40302             4.43074            14.87582
     C             2.42044             5.22503            14.18973
     C             1.22109             5.52553            14.87703
     C             0.01478             5.66087            14.15653
     C            -1.22745             5.45455            14.85984
     C            -2.37000             4.97809            14.15661
     C            -3.38846             4.31780            14.83845
     C            -4.19863             3.39208            14.12169
     C            -4.83468             2.37504            14.85065
     C            -5.22670             1.22741            14.16000
     C            -5.40347             0.01084            14.88538
     C            -5.30983            -1.22646            14.15712
     C            -4.91914            -2.40141            14.86356
     C            -4.23050            -3.39956            14.14332
     C            -3.38627            -4.29603            14.84375
     C            -2.36708            -4.99659            14.16036
     C            -1.17379            -5.39984            14.83475
     C             0.07066            -5.63745            14.14001
     C             1.27895            -5.55972            14.88916
     C             2.48037            -5.19508            14.18377
     C             3.46565            -4.40586            14.86933
     C             4.11167            -3.38889            14.12899
     C             4.78398            -2.38645            14.84652
     C             5.08842            -1.21603            14.17225
     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            -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             7.27369             0.06152            10.79680
     C             7.47439            -0.05187            12.35954
     C             8.42110             0.43796            10.04319
     H             8.26813             0.73535             8.91008
     C             9.65507             0.69434            10.76341
     H            10.16957             1.52934            10.54322
     C             9.86541             0.16826            12.08246
     H            10.92639            -0.02465            12.42168
     C             8.74566            -0.12067            12.94034
     H             8.84318            -0.49012            13.95587
          178
 Energy:   -1208.748744782295    
     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             5.21995             0.00212             7.81760
     C             5.03545             1.21356             8.50870
     C             4.71418             2.37902             7.77680
     C             4.12145             3.44415             8.51717
     C             3.48375             4.44979             7.78831
     C             2.52471             5.28832             8.45674
     C             1.30925             5.57141             7.77459
     C             0.03828             5.56930             8.47205
     C            -1.17979             5.41008             7.77664
     C            -2.33783             5.02552             8.47710
     C            -3.35263             4.31515             7.75762
     C            -4.16736             3.44101             8.48899
     C            -4.90777             2.43168             7.80711
     C            -5.27992             1.25870             8.49939
     C            -5.41778             0.03972             7.80153
     C            -5.11165            -1.15934             8.49825
     C            -4.83722            -2.37585             7.79885
     C            -4.18707            -3.41923             8.50681
     C            -3.41583            -4.32196             7.76988
     C            -2.40559            -5.08668             8.50861
     C            -1.20131            -5.45068             7.80388
     C             0.02579            -5.59776             8.49108
     C             1.26151            -5.55985             7.77020
     C             2.45831            -5.22867             8.47984
     C             3.44901            -4.44383             7.78187
     C             4.15001            -3.48131             8.52349
     C             4.73909            -2.37145             7.80968
     C             4.98643            -1.20197             8.53274
     C             5.66502             0.00970            10.52633
     C             5.07331             1.22696             9.90625
     C             4.55655             2.30614            10.62900
     C             4.02829             3.42780             9.94027
     C             3.40731             4.50467            10.61763
     C             2.44703             5.29540             9.90836
     C             1.25546             5.66909            10.59859
     C             0.02303             5.70326             9.89023
     C            -1.19949             5.51650            10.58906
     C            -2.34009             5.06079             9.90013
     C            -3.33913             4.33416            10.61243
     C            -4.21303             3.45134             9.90746
     C            -4.95321             2.47057            10.63713
     C            -5.30226             1.25766             9.94029
     C            -5.43894             0.02912            10.63634
     C            -5.20854            -1.18018             9.93315
     C            -4.89878            -2.37892            10.63909
     C            -4.21907            -3.41227             9.92192
     C            -3.34390            -4.30563            10.63061
     C            -2.36710            -5.08792             9.93693
     C            -1.23254            -5.59226            10.60345
     C             0.00049            -5.73294             9.89600
     C             1.23671            -5.68677            10.62709
     C             2.41831            -5.27016             9.93474
     C             3.39354            -4.49195            10.66049
     C             4.03685            -3.44654             9.94506
     C             4.58785            -2.33675            10.63233
     C             5.08559            -1.22931             9.93307
     C             5.79029            -0.02749            12.19876
     C             5.09601             1.19476            12.71100
     C             4.50648             2.29499            12.03493
     C             3.96925             3.43664            12.71757
     C             3.34917             4.50741            12.01545
     C             2.42440             5.30287            12.74492
     C             1.25325             5.70021            12.02317
     C             0.01157             5.71229            12.73090
     C            -1.20683             5.56145            12.00103
     C            -2.33926             5.05833            12.70426
     C            -3.32474             4.35710            12.00677
     C            -4.17951             3.46372            12.70402
     C            -4.87387             2.41204            12.03275
     C            -5.22281             1.24306            12.75313
     C            -5.45076             0.03502            12.03404
     C            -5.27048            -1.19562            12.73427
     C            -4.92214            -2.38790            12.03469
     C            -4.23622            -3.43578            12.72547
     C            -3.40154            -4.35192            12.03220
     C            -2.36786            -5.04158            12.72034
     C            -1.20952            -5.52739            12.01559
     C             0.03370            -5.69922            12.73951
     C             1.27774            -5.67615            12.04607
     C             2.45818            -5.26627            12.74918
     C             3.39491            -4.44566            12.04871
     C             4.03091            -3.42943            12.75454
     C             4.55812            -2.31139            12.04090
     C             5.12735            -1.23996            12.76316
     C             5.37732            -0.00741            14.84876
     C             5.10034             1.21157            14.12028
     C             4.76933             2.38610            14.83979
     C             4.11476             3.46990            14.14457
     C             3.44203             4.46442            14.86734
     C             2.45034             5.25362            14.19563
     C             1.23664             5.58444            14.88028
     C             0.01049             5.63222            14.13017
     C            -1.20099             5.46625            14.84604
     C            -2.35850             5.05989            14.12022
     C            -3.36080             4.31924            14.86379
     C            -4.13755             3.42498            14.12762
     C            -4.80820             2.40063            14.86565
     C            -5.13730             1.20068            14.16310
     C            -5.44876            -0.00550            14.84031
     C            -5.25917            -1.22442            14.16376
     C            -4.90582            -2.40264            14.86292
     C            -4.17946            -3.41089            14.15000
     C            -3.33383            -4.29022            14.87411
     C            -2.31827            -4.99085            14.14007
     C            -1.17137            -5.41014            14.86468
     C             0.04305            -5.63262            14.16291
     C             1.28142            -5.56115            14.86629
     C             2.48972            -5.25253            14.18713
     C             3.47793            -4.46409            14.86740
     C             4.15564            -3.45029            14.16765
     C             4.81722            -2.40533            14.87467
     C             5.16856            -1.23164            14.14976
     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            -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             7.29979             0.05638            10.90289
     C             7.49551             0.02934            12.37229
     C             8.39720             0.33739            10.15062
     H             8.31076             0.58181             8.98987
     C             9.65626             0.58692            10.70960
     H            10.45291             1.04615            10.06882
     C             9.86254             0.33066            12.11756
     H            10.82636             0.43855            12.65678
     C             8.77478             0.00043            12.88966
     H             9.00371            -0.03493            14.02391
          178
 Energy:   -1208.980998628932    
     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
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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             5.24985            -0.00405             7.76360
     C             5.13241             1.22919             8.50691
     C             4.72694             2.38396             7.80350
     C             4.17768             3.49516             8.53293
     C             3.46840             4.49522             7.77224
     C             2.51121             5.28989             8.49821
     C             1.29648             5.56956             7.76376
     C             0.07799             5.65163             8.46979
     C            -1.15893             5.40751             7.76729
     C            -2.33501             5.05011             8.47972
     C            -3.34749             4.34564             7.79431
     C            -4.19187             3.44207             8.49061
     C            -4.87345             2.41494             7.78238
     C            -5.28848             1.26496             8.52791
     C            -5.39903             0.01329             7.79879
     C            -5.15030            -1.20913             8.51018
     C            -4.81643            -2.38545             7.79254
     C            -4.17660            -3.44189             8.52242
     C            -3.35931            -4.38593             7.80110
     C            -2.36501            -5.09696             8.47671
     C            -1.18440            -5.40904             7.77269
     C             0.04200            -5.64160             8.48688
     C             1.27234            -5.55824             7.78121
     C             2.44995            -5.23206             8.52710
     C             3.45734            -4.49049             7.80240
     C             4.24276            -3.52157             8.52990
     C             4.74009            -2.39888             7.79907
     C             5.05893            -1.20011             8.52393
     C             5.69056            -0.00414            10.60434
     C             5.11492             1.23602             9.91475
     C             4.61292             2.32301            10.63092
     C             4.11426             3.45795             9.94530
     C             3.37383             4.47461            10.61834
     C             2.44681             5.27974             9.91355
     C             1.23941             5.60342            10.63001
     C             0.04359             5.67482             9.88129
     C            -1.19509             5.61087            10.57586
     C            -2.36182             5.12463             9.88415
     C            -3.39935             4.44681            10.58985
     C            -4.18997             3.48094             9.90225
     C            -4.87693             2.43496            10.60878
     C            -5.30525             1.27984             9.91897
     C            -5.38745             0.03484            10.61898
     C            -5.20610            -1.20174             9.91258
     C            -4.82795            -2.37584            10.62305
     C            -4.14401            -3.42478             9.94647
     C            -3.41243            -4.42914            10.61203
     C            -2.42715            -5.17031             9.89474
     C            -1.24872            -5.64944            10.60494
     C             0.00303            -5.72817             9.91656
     C             1.20891            -5.58169            10.65338
     C             2.40461            -5.21357             9.94899
     C             3.36737            -4.43218            10.63803
     C             4.13240            -3.46307             9.93706
     C             4.62729            -2.33226            10.63873
     C             5.08637            -1.22030             9.92857
     C             5.75741            -0.02980            12.16893
     C             5.13994             1.19512            12.75715
     C             4.61942             2.27390            12.04584
     C             4.06128             3.38982            12.75199
     C             3.34480             4.43026            12.04416
     C             2.38625             5.24617            12.73269
     C             1.21243             5.66129            12.04068
     C            -0.01535             5.73693            12.72262
     C            -1.21561             5.61317            11.99287
     C            -2.34986             5.17390            12.71036
     C            -3.40494             4.45720            12.02558
     C            -4.14866             3.45988            12.74240
     C            -4.81041             2.41809            12.04421
     C            -5.18996             1.23067            12.74671
     C            -5.40996             0.01251            12.05630
     C            -5.28805            -1.22483            12.74007
     C            -4.85686            -2.38450            12.05407
     C            -4.22332            -3.45532            12.74729
     C            -3.41778            -4.42170            12.03764
     C            -2.33432            -5.07306            12.71761
     C            -1.22209            -5.60713            12.03017
     C            -0.02503            -5.69148            12.76126
     C             1.20823            -5.62153            12.07077
     C             2.38818            -5.20521            12.75984
     C             3.34676            -4.43299            12.07160
     C             4.11616            -3.42212            12.77285
     C             4.65526            -2.32488            12.05593
     C             5.20904            -1.26921            12.76387
     C             5.32968            -0.00316            14.85883
     C             5.14149             1.21893            14.14901
     C             4.80733             2.39453            14.87151
     C             4.20964             3.47274            14.15327
     C             3.43947             4.46264            14.86366
     C             2.46626             5.27832            14.13748
     C             1.27137             5.56880            14.86446
     C             0.03198             5.66116            14.16459
     C            -1.18987             5.44757            14.86217
     C            -2.35234             5.11478            14.13894
     C            -3.31010             4.36254            14.84628
     C            -4.15364             3.43944            14.15039
     C            -4.78936             2.36536            14.84948
     C            -5.14380             1.20564            14.15110
     C            -5.42598            -0.00242            14.85595
     C            -5.25876            -1.22103            14.12538
     C            -4.85908            -2.38245            14.83778
     C            -4.19003            -3.42448            14.15224
     C            -3.31179            -4.28240            14.84383
     C            -2.30180            -4.97822            14.13847
     C            -1.18677            -5.41656            14.87548
     C             0.01939            -5.65213            14.17433
     C             1.25802            -5.52380            14.87362
     C             2.48447            -5.28379            14.16293
     C             3.44339            -4.47852            14.88327
     C             4.23762            -3.51585            14.17982
     C             4.84679            -2.41161            14.86570
     C             5.23517            -1.26863            14.16899
     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            -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             7.30146             0.08490            10.91412
     C             7.44552             0.04278            12.39464
     C             8.41687             0.29052            10.21227
     H             8.28251             0.21457             9.07751
     C             9.66716             0.45325            10.71701
     H            10.55942             0.19941            10.02832
     C             9.84124             0.50432            12.05887
     H            10.77524             0.89576            12.41369
     C             8.72091             0.18131            12.86771
     H             8.81564             0.10635            14.05073
          178
 Energy:   -1209.254393697956    
     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             5.33512             0.00901             7.79721
     C             5.17935             1.22060             8.50892
     C             4.83271             2.41231             7.79069
     C             4.24533             3.52117             8.49249
     C             3.46407             4.47372             7.80498
     C             2.44735             5.25229             8.47285
     C             1.27312             5.54701             7.76130
     C             0.05219             5.72178             8.46620
     C            -1.14960             5.43309             7.78789
     C            -2.33106             5.06117             8.47884
     C            -3.38808             4.34165             7.78062
     C            -4.23212             3.45409             8.50145
     C            -4.85745             2.37841             7.78239
     C            -5.30258             1.22851             8.46869
     C            -5.37373            -0.00224             7.79142
     C            -5.25057            -1.22544             8.49164
     C            -4.80208            -2.38795             7.79037
     C            -4.16664            -3.45723             8.50954
     C            -3.38895            -4.36541             7.78299
     C            -2.33620            -5.09306             8.48010
     C            -1.15759            -5.41305             7.76892
     C             0.01806            -5.70411             8.48992
     C             1.25911            -5.51295             7.78910
     C             2.45303            -5.20034             8.50597
     C             3.47851            -4.46699             7.80037
     C             4.28678            -3.53913             8.50089
     C             4.82901            -2.40947             7.77875
     C             5.12942            -1.22719             8.48643
     C             5.69799            -0.00365            10.54569
     C             5.21344             1.22903             9.91899
     C             4.70004             2.32961            10.63664
     C             4.19126             3.49132             9.92547
     C             3.37628             4.40875            10.65657
     C             2.44087             5.22987             9.92666
     C             1.25141             5.58637            10.60466
     C             0.03642             5.68987             9.88421
     C            -1.22415             5.65540            10.56985
     C            -2.37830             5.19567             9.89141
     C            -3.44636             4.53368            10.59904
     C            -4.20802             3.50888             9.92080
     C            -4.76555             2.42258            10.62346
     C            -5.28530             1.26544             9.92409
     C            -5.35419             0.01903            10.61754
     C            -5.18943            -1.20839             9.92486
     C            -4.72944            -2.37021            10.62524
     C            -4.13394            -3.45718             9.92111
     C            -3.45862            -4.53907            10.61545
     C            -2.42532            -5.26141             9.88527
     C            -1.27237            -5.66987            10.60253
     C            -0.01110            -5.71904             9.91090
     C             1.20462            -5.52025            10.64368
     C             2.37569            -5.13967             9.93494
     C             3.34716            -4.37387            10.64918
     C             4.23053            -3.48367             9.94032
     C             4.69346            -2.31645            10.64893
     C             5.15318            -1.21761             9.90794
     C             5.74197            -0.01772            12.20376
     C             5.18132             1.22371            12.82675
     C             4.72110             2.28783            12.05981
     C             4.17143             3.39088            12.74360
     C             3.34339             4.33194            12.07037
     C             2.40010             5.16720            12.73713
     C             1.22480             5.59253            12.02898
     C             0.00120             5.78137            12.76914
     C            -1.23353             5.66321            12.01850
     C            -2.43718             5.25608            12.73443
     C            -3.44420             4.53038            12.03220
     C            -4.14477             3.49230            12.74416
     C            -4.74862             2.40793            12.02761
     C            -5.15754             1.22488            12.71761
     C            -5.34695            -0.00122            12.01251
     C            -5.28413            -1.24552            12.71481
     C            -4.79179            -2.40609            12.02699
     C            -4.19928            -3.49534            12.72320
     C            -3.40650            -4.45877            12.04162
     C            -2.37585            -5.09755            12.74807
     C            -1.26295            -5.64995            12.04286
     C            -0.02865            -5.73755            12.77976
     C             1.17071            -5.53527            12.06278
     C             2.35023            -5.16902            12.76945
     C             3.33210            -4.36800            12.06306
     C             4.19177            -3.47912            12.74931
     C             4.76811            -2.35780            12.06982
     C             5.29881            -1.29426            12.80577
     C             5.32910            -0.02646            14.86387
     C             5.17274             1.21254            14.21429
     C             4.86627             2.40721            14.86782
     C             4.25915             3.47840            14.15815
     C             3.46089             4.41937            14.83874
     C             2.47533             5.21375            14.16931
     C             1.26975             5.52990            14.86560
     C             0.03892             5.71610            14.16717
     C            -1.16139             5.46021            14.87868
     C            -2.34884             5.12697            14.15672
     C            -3.37824             4.35740            14.86427
     C            -4.16208             3.43917            14.16447
     C            -4.78246             2.36705            14.87020
     C            -5.21360             1.21005            14.14533
     C            -5.36425             0.00307            14.86033
     C            -5.29008            -1.22062            14.16431
     C            -4.83505            -2.36026            14.86937
     C            -4.21700            -3.42209            14.14233
     C            -3.35039            -4.27766            14.86011
     C            -2.32722            -4.97009            14.14408
     C            -1.19686            -5.42655            14.86212
     C             0.01217            -5.66689            14.18543
     C             1.22545            -5.51406            14.88157
     C             2.42190            -5.20877            14.20546
     C             3.46439            -4.44338            14.85658
     C             4.29950            -3.54308            14.15976
     C             4.89785            -2.46261            14.86811
     C             5.25443            -1.26193            14.18111
     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            -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             7.24391             0.12203            10.87975
     C             7.40708             0.09432            12.37238
     C             8.41805             0.21789            10.10019
     H             8.35399             0.03881             9.03038
     C             9.70910             0.25629            10.68691
     H            10.73937            -0.02017            10.15948
     C             9.75571             0.67152            12.08006
     H            10.67101             1.01842            12.50823
     C             8.66717             0.37094            12.90472
     H             8.93754             0.30767            14.04447
          178
 Energy:   -1209.642447523076    
     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             5.42810            -0.00324             7.80667
     C             5.22228             1.25558             8.50310
     C             4.96177             2.43496             7.78550
     C             4.33060             3.51395             8.50428
     C             3.45199             4.40416             7.76398
     C             2.45018             5.14055             8.49078
     C             1.23951             5.53930             7.77473
     C             0.00594             5.72649             8.47288
     C            -1.22416             5.47409             7.76163
     C            -2.38167             5.05404             8.47717
     C            -3.39981             4.34857             7.78333
     C            -4.25763             3.46842             8.50038
     C            -4.87642             2.38620             7.79762
     C            -5.27621             1.21240             8.50421
     C            -5.42112            -0.02201             7.76646
     C            -5.29141            -1.24578             8.50594
     C            -4.85404            -2.38283             7.79293
     C            -4.18544            -3.42517             8.48444
     C            -3.37597            -4.35435             7.76693
     C            -2.38798            -5.07769             8.48202
     C            -1.20162            -5.46642             7.78601
     C             0.03115            -5.70800             8.48384
     C             1.24286            -5.48295             7.77686
     C             2.44178            -5.11071             8.47341
     C             3.48141            -4.41026             7.76334
     C             4.33192            -3.50659             8.51175
     C             4.94114            -2.43512             7.78955
     C             5.22291            -1.23646             8.49465
     C             5.72589             0.01736            10.52683
     C             5.24895             1.27543             9.87328
     C             4.83195             2.35198            10.62333
     C             4.26079             3.45509             9.93031
     C             3.39793             4.34862            10.63250
     C             2.43599             5.13091             9.91007
     C             1.24545             5.59006            10.60627
     C            -0.00014             5.77371             9.90247
     C            -1.23295             5.66019            10.63760
     C            -2.43262             5.23689             9.89863
     C            -3.47386             4.56782            10.61807
     C            -4.22379             3.55366             9.92187
     C            -4.72043             2.38474            10.61462
     C            -5.20559             1.24093             9.89508
     C            -5.33063             0.00362            10.58905
     C            -5.16473            -1.23434             9.90515
     C            -4.65226            -2.37548            10.59322
     C            -4.16230            -3.53138             9.90409
     C            -3.45633            -4.56772            10.59671
     C            -2.44666            -5.28863             9.90907
     C            -1.25727            -5.69078            10.63734
     C            -0.03132            -5.72904             9.90964
     C             1.17659            -5.49236            10.61248
     C             2.36381            -5.04899             9.90769
     C             3.36149            -4.32830            10.63450
     C             4.26353            -3.47257             9.93998
     C             4.81948            -2.34310            10.63292
     C             5.23871            -1.25107             9.86498
     C             5.84844            -0.00256            12.18793
     C             5.21161             1.21135            12.82794
     C             4.81383             2.32524            12.05121
     C             4.24494             3.43831            12.74661
     C             3.35252             4.28429            12.04690
     C             2.41315             5.06491            12.77492
     C             1.26467             5.53906            12.03674
     C             0.01732             5.80225            12.72669
     C            -1.26612             5.72672            12.05912
     C            -2.45312             5.30803            12.76096
     C            -3.47030             4.56993            12.03838
     C            -4.18138             3.52207            12.71785
     C            -4.67868             2.38711            12.03624
     C            -5.14020             1.22366            12.71674
     C            -5.28835            -0.00720            12.01623
     C            -5.22990            -1.25719            12.73035
     C            -4.75629            -2.40487            12.01087
     C            -4.20143            -3.49436            12.71827
     C            -3.43093            -4.48246            12.01176
     C            -2.41228            -5.15044            12.76163
     C            -1.28585            -5.66290            12.05769
     C            -0.03532            -5.78113            12.74093
     C             1.18735            -5.47920            12.03914
     C             2.36040            -5.07419            12.76901
     C             3.32249            -4.33925            12.05440
     C             4.27556            -3.50973            12.72274
     C             4.87710            -2.40186            12.05799
     C             5.33338            -1.29809            12.80957
     C             5.38159            -0.04047            14.89645
     C             5.19747             1.20278            14.21518
     C             4.92358             2.41596            14.88887
     C             4.30578             3.46131            14.14732
     C             3.47695             4.37360            14.88054
     C             2.44069             5.09067            14.19031
     C             1.26463             5.49873            14.88539
     C             0.04144             5.74806            14.18622
     C            -1.20712             5.48882            14.85523
     C            -2.40386             5.10906            14.18243
     C            -3.40611             4.38245            14.87308
     C            -4.18072             3.42821            14.13136
     C            -4.83839             2.37940            14.84843
     C            -5.23554             1.23858            14.12848
     C            -5.37062             0.00909            14.85162
     C            -5.28751            -1.23136            14.13925
     C            -4.87131            -2.37694            14.85792
     C            -4.22749            -3.41651            14.14009
     C            -3.40033            -4.29787            14.87201
     C            -2.38202            -4.98937            14.18294
     C            -1.22937            -5.42174            14.87870
     C            -0.00953            -5.69084            14.17814
     C             1.22576            -5.50640            14.89422
     C             2.38661            -5.06140            14.18253
     C             3.45966            -4.41392            14.86367
     C             4.34452            -3.54179            14.13631
     C             4.97045            -2.47234            14.87637
     C             5.25003            -1.29132            14.20808
     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            -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             7.28579             0.12803            10.81564
     C             7.45162             0.22717            12.30181
     C             8.41903             0.06720            10.01583
     H             8.29478             0.03874             8.99688
     C             9.65672             0.14857            10.77574
     H            10.60647             0.01392            10.14580
     C             9.67334             0.73396            12.03821
     H            10.58170             1.10459            12.46349
     C             8.58453             0.52801            12.92080
     H             8.61740             0.66643            14.02227
          178
 Energy:   -1209.576337274385    
     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             5.47439             0.01196             7.77276
     C             5.32720             1.24127             8.44176
     C             5.02579             2.46689             7.77447
     C             4.38512             3.50494             8.49769
     C             3.46107             4.31550             7.80151
     C             2.41579             5.01977             8.47944
     C             1.24634             5.48739             7.80522
     C            -0.04252             5.70771             8.49132
     C            -1.27545             5.50670             7.78685
     C            -2.43596             5.10330             8.50566
     C            -3.41650             4.34704             7.78131
     C            -4.27285             3.49272             8.50098
     C            -4.91688             2.41000             7.79054
     C            -5.22960             1.21199             8.48882
     C            -5.49935            -0.00554             7.82464
     C            -5.28578            -1.23477             8.48315
     C            -4.92670            -2.40750             7.77494
     C            -4.21477            -3.45018             8.47480
     C            -3.37450            -4.31890             7.78560
     C            -2.41861            -5.12898             8.50383
     C            -1.25846            -5.51869             7.78069
     C            -0.01094            -5.66694             8.47818
     C             1.25293            -5.45761             7.77242
     C             2.39635            -4.99097             8.47480
     C             3.46535            -4.33451             7.80655
     C             4.35389            -3.48932             8.50323
     C             5.01889            -2.43798             7.78875
     C             5.35765            -1.23768             8.47476
     C             5.78321             0.02222            10.53577
     C             5.27708             1.25423             9.86817
     C             4.94679             2.39375            10.63442
     C             4.31049             3.44320             9.91944
     C             3.40349             4.30127            10.59356
     C             2.38973             5.02708             9.90634
     C             1.26431             5.56809            10.61554
     C            -0.01774             5.83670             9.93587
     C            -1.29261             5.67834            10.63957
     C            -2.43707             5.23958             9.92261
     C            -3.49510             4.56049            10.61858
     C            -4.25206             3.53523             9.92070
     C            -4.70691             2.38995            10.59607
     C            -5.09973             1.20677             9.92245
     C            -5.27665            -0.02473            10.61353
     C            -5.13176            -1.25293             9.89567
     C            -4.66609            -2.40925            10.58746
     C            -4.20145            -3.53542             9.87499
     C            -3.46000            -4.52325            10.60396
     C            -2.44272            -5.25483             9.90329
     C            -1.29168            -5.69730            10.61816
     C            -0.02328            -5.74992             9.90589
     C             1.20892            -5.45288            10.59388
     C             2.34301            -4.97432             9.88012
     C             3.36734            -4.30675            10.60410
     C             4.26599            -3.43359             9.91814
     C             4.96720            -2.40517            10.60860
     C             5.34713            -1.24368             9.90982
     C             5.89162             0.00711            12.13624
     C             5.25141             1.20893            12.76349
     C             4.90625             2.34998            12.04851
     C             4.29559             3.43766            12.73546
     C             3.40108             4.30436            12.02101
     C             2.36837             4.96329            12.75669
     C             1.25582             5.53026            12.05972
     C             0.02854             5.79525            12.74940
     C            -1.25975             5.76195            12.08646
     C            -2.45311             5.28998            12.77353
     C            -3.47899             4.58801            12.05441
     C            -4.20162             3.52609            12.71467
     C            -4.66105             2.36572            12.00268
     C            -5.11098             1.21700            12.71754
     C            -5.25833            -0.01409            12.02152
     C            -5.14269            -1.23334            12.69952
     C            -4.72986            -2.38294            11.99604
     C            -4.20941            -3.48646            12.72346
     C            -3.46734            -4.49830            12.03826
     C            -2.44487            -5.19470            12.76233
     C            -1.27312            -5.67628            12.06187
     C            -0.01245            -5.76213            12.74528
     C             1.19722            -5.48709            12.02878
     C             2.31739            -4.94855            12.72338
     C             3.40012            -4.31231            12.01980
     C             4.33893            -3.49743            12.72924
     C             4.98173            -2.40850            12.02639
     C             5.38875            -1.27613            12.76503
     C             5.42618            -0.02686            14.84680
     C             5.23866             1.18751            14.16762
     C             4.95347             2.38330            14.85497
     C             4.34305             3.47330            14.17861
     C             3.45696             4.32902            14.86472
     C             2.39747             4.95993            14.18177
     C             1.24668             5.46841            14.85826
     C             0.00766             5.73755            14.15345
     C            -1.25424             5.51337            14.87038
     C            -2.43750             5.15240            14.16465
     C            -3.42238             4.36349            14.84671
     C            -4.22627             3.47609            14.13293
     C            -4.90363             2.42488            14.83272
     C            -5.22771             1.21841            14.13080
     C            -5.44394             0.00501            14.83258
     C            -5.25654            -1.21731            14.12172
     C            -4.93883            -2.40723            14.83446
     C            -4.24475            -3.43791            14.13505
     C            -3.43439            -4.33024            14.85889
     C            -2.42731            -5.06512            14.16619
     C            -1.24043            -5.42994            14.86130
     C            -0.02238            -5.71072            14.15924
     C             1.22641            -5.45675            14.82958
     C             2.36342            -4.95619            14.14371
     C             3.44000            -4.34676            14.85870
     C             4.37608            -3.54465            14.16572
     C             4.99196            -2.48082            14.86844
     C             5.30153            -1.26323            14.16511
     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            -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             7.31382             0.07537            10.75810
     C             7.43179             0.32623            12.20573
     C             8.45570            -0.07353            10.06098
     H             8.55119            -0.14304             9.04700
     C             9.56014             0.15074            10.76089
     H            10.53620            -0.03461            10.33019
     C             9.65586             0.68884            12.07271
     H            10.55396             1.25553            12.26512
     C             8.55100             0.70977            12.86398
     H             8.51437             1.06116            13.83764
          178
 Energy:   -1209.281321049632    
     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             5.51763            -0.00761             7.77859
     C             5.42957             1.26004             8.48246
     C             5.05930             2.42244             7.76371
     C             4.40869             3.47319             8.49129
     C             3.43114             4.28475             7.80044
     C             2.34405             4.90831             8.49819
     C             1.18963             5.39082             7.78927
     C            -0.00788             5.69909             8.52208
     C            -1.25583             5.51832             7.80464
     C            -2.46740             5.17248             8.50301
     C            -3.43504             4.38207             7.79198
     C            -4.31100             3.49270             8.49121
     C            -4.93199             2.42854             7.79135
     C            -5.20833             1.23289             8.51760
     C            -5.51659             0.01629             7.78274
     C            -5.28162            -1.24208             8.49391
     C            -4.95883            -2.44049             7.78265
     C            -4.28868            -3.47883             8.47632
     C            -3.38366            -4.34146             7.77472
     C            -2.44700            -5.16722             8.46382
     C            -1.25436            -5.54199             7.76218
     C            -0.02957            -5.64429             8.47106
     C             1.19029            -5.40293             7.79741
     C             2.33206            -4.88996             8.48548
     C             3.41334            -4.26815             7.77946
     C             4.36381            -3.44114             8.48007
     C             5.05509            -2.41011             7.77645
     C             5.48574            -1.24356             8.49938
     C             5.80738            -0.01014            10.49330
     C             5.36171             1.23491             9.85615
     C             5.01172             2.37940            10.59009
     C             4.36543             3.47218             9.90333
     C             3.40220             4.27595            10.60460
     C             2.33085             4.93589             9.91142
     C             1.21768             5.53955            10.62950
     C            -0.01532             5.80908             9.94781
     C            -1.27520             5.75226            10.63942
     C            -2.46295             5.20613             9.93556
     C            -3.50067             4.52555            10.62766
     C            -4.24873             3.54030             9.90645
     C            -4.70666             2.37873            10.60584
     C            -5.02452             1.17632             9.90617
     C            -5.17688            -0.03822            10.61147
     C            -5.11093            -1.24350             9.89592
     C            -4.77232            -2.41380            10.59700
     C            -4.22434            -3.50518             9.89661
     C            -3.45968            -4.46901            10.62525
     C            -2.45344            -5.18828             9.91743
     C            -1.27522            -5.69210            10.60303
     C            -0.02045            -5.72966             9.89878
     C             1.20090            -5.45446            10.59987
     C             2.32783            -4.90612             9.90244
     C             3.40188            -4.25837            10.57821
     C             4.30510            -3.41165             9.89144
     C             5.07748            -2.41989            10.59065
     C             5.45977            -1.27651             9.86596
     C             5.82824             0.02905            12.07654
     C             5.29759             1.23268            12.73369
     C             4.97649             2.38709            12.02544
     C             4.33186             3.44785            12.73848
     C             3.44926             4.30814            12.01959
     C             2.33205             4.89491            12.70607
     C             1.21951             5.51985            12.04521
     C            -0.02187             5.78098            12.75970
     C            -1.27138             5.72445            12.05166
     C            -2.44423             5.26145            12.73527
     C            -3.48466             4.54096            12.03546
     C            -4.20740             3.51330            12.71868
     C            -4.69385             2.39178            12.01302
     C            -5.07129             1.21269            12.71340
     C            -5.22600             0.00389            12.00757
     C            -5.06818            -1.21062            12.71681
     C            -4.69594            -2.38877            11.99737
     C            -4.21982            -3.49252            12.72144
     C            -3.47801            -4.50018            12.04209
     C            -2.46048            -5.23509            12.72291
     C            -1.27777            -5.67775            12.02603
     C            -0.01435            -5.72176            12.72825
     C             1.20891            -5.46907            12.00521
     C             2.32558            -4.84045            12.67528
     C             3.45150            -4.28480            11.99799
     C             4.39268            -3.46856            12.73078
     C             5.07511            -2.41740            12.02832
     C             5.48187            -1.26441            12.70958
     C             5.46095            -0.02281            14.83906
     C             5.28932             1.20506            14.09915
     C             4.94926             2.36726            14.84991
     C             4.36542             3.46477            14.13627
     C             3.41422             4.27938            14.84948
     C             2.32053             4.87883            14.11986
     C             1.20016             5.40223            14.84302
     C            -0.02698             5.68176            14.19404
     C            -1.23624             5.54251            14.87142
     C            -2.44332             5.19808            14.18708
     C            -3.41415             4.37847            14.86869
     C            -4.32256             3.51016            14.13591
     C            -4.94741             2.42931            14.85670
     C            -5.23080             1.23334            14.13592
     C            -5.49240            -0.00702            14.84180
     C            -5.24239            -1.22051            14.11754
     C            -4.96663            -2.41537            14.84867
     C            -4.30175            -3.47637            14.13939
     C            -3.43832            -4.38313            14.85640
     C            -2.44508            -5.15611            14.15378
     C            -1.23792            -5.47925            14.84643
     C            -0.00299            -5.67598            14.15804
     C             1.20431            -5.37567            14.84991
     C             2.33452            -4.88478            14.10318
     C             3.39977            -4.28665            14.84228
     C             4.39458            -3.50978            14.14800
     C             5.00223            -2.40274            14.84609
     C             5.38996            -1.26876            14.10222
     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            -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             7.29658             0.00444            10.74980
     C             7.41699             0.36674            12.17595
     C             8.47631            -0.17486            10.05824
     H             8.55204            -0.68111             9.07721
     C             9.69275             0.17021            10.79004
     H            10.55393            -0.04832            10.25685
     C             9.71892             0.68531            12.07169
     H            10.63011             1.13122            12.52352
     C             8.51486             0.88581            12.76836
     H             8.55220             1.38104            13.65111
          178
 Energy:   -1208.762524167763    
     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             5.60785             0.00120             7.81064
     C             5.49479             1.23196             8.46164
     C             5.04681             2.39522             7.78919
     C             4.37065             3.46009             8.46060
     C             3.39231             4.26328             7.77724
     C             2.27297             4.80659             8.50973
     C             1.16600             5.28851             7.78968
     C            -0.00550             5.66070             8.49520
     C            -1.23000             5.52093             7.78779
     C            -2.44999             5.19549             8.48694
     C            -3.47490             4.43643             7.78037
     C            -4.31003             3.53724             8.48929
     C            -4.92267             2.41592             7.79183
     C            -5.23454             1.21498             8.48291
     C            -5.42732            -0.00381             7.80061
     C            -5.29961            -1.22804             8.48156
     C            -4.96768            -2.42278             7.79128
     C            -4.32132            -3.53330             8.50335
     C            -3.46914            -4.39696             7.77871
     C            -2.45253            -5.15196             8.46993
     C            -1.26344            -5.52281             7.77202
     C            -0.03566            -5.64892             8.48785
     C             1.16022            -5.30236             7.77454
     C             2.28076            -4.81062             8.49760
     C             3.35920            -4.19949             7.78024
     C             4.32425            -3.39059             8.44946
     C             5.05372            -2.39525             7.75530
     C             5.54681            -1.28508             8.41819
     C             5.83077            -0.05567            10.45838
     C             5.46349             1.26283             9.85462
     C             5.02372             2.38109            10.57056
     C             4.40627             3.46772             9.89824
     C             3.42233             4.27519            10.60299
     C             2.28173             4.86791             9.95216
     C             1.17436             5.47024            10.61924
     C            -0.01976             5.74828             9.90725
     C            -1.29023             5.75373            10.59159
     C            -2.43938             5.24961             9.92346
     C            -3.46665             4.47863            10.60820
     C            -4.25850             3.51463             9.90648
     C            -4.70069             2.37659            10.61354
     C            -4.99236             1.20950             9.89101
     C            -5.07462            -0.00403            10.58657
     C            -5.13779            -1.22863             9.88730
     C            -4.85360            -2.41157            10.61654
     C            -4.26963            -3.50152             9.91847
     C            -3.44036            -4.42391            10.60109
     C            -2.43063            -5.16353             9.88366
     C            -1.27200            -5.63568            10.57851
     C            -0.03408            -5.68356             9.88562
     C             1.19340            -5.45206            10.58154
     C             2.32011            -4.84963             9.92286
     C             3.43844            -4.20636            10.57814
     C             4.39758            -3.40656             9.87844
     C             5.11885            -2.41442            10.58048
     C             5.54059            -1.34807             9.81560
     C             5.83543             0.01438            12.02660
     C             5.31855             1.29762            12.72235
     C             5.00391             2.42640            11.96742
     C             4.38083             3.47817            12.68527
     C             3.41714             4.28856            12.02517
     C             2.30568             4.89457            12.67885
     C             1.16194             5.47063            12.03997
     C            -0.04876             5.73463            12.75438
     C            -1.29374             5.67370            12.03624
     C            -2.46528             5.22112            12.74647
     C            -3.45263             4.46630            12.04382
     C            -4.24730             3.52672            12.75628
     C            -4.74529             2.40702            12.03768
     C            -5.07307             1.23530            12.74476
     C            -5.13233             0.00291            12.01704
     C            -5.03907            -1.21021            12.74333
     C            -4.71589            -2.37613            12.03919
     C            -4.23305            -3.53007            12.74604
     C            -3.45539            -4.48889            12.02063
     C            -2.46310            -5.26710            12.71567
     C            -1.27472            -5.66639            12.00753
     C            -0.01721            -5.67598            12.70641
     C             1.20831            -5.38432            12.01502
     C             2.34778            -4.83487            12.68310
     C             3.45404            -4.22098            11.99588
     C             4.43181            -3.45535            12.68859
     C             5.15624            -2.43470            11.98825
     C             5.54201            -1.28851            12.71077
     C             5.50898            -0.00792            14.82279
     C             5.33037             1.22211            14.15739
     C             4.94103             2.38527            14.85554
     C             4.32156             3.43743            14.13815
     C             3.36081             4.23717            14.82198
     C             2.27684             4.82001            14.10656
     C             1.17775             5.29584            14.86770
     C            -0.02371             5.63442            14.16146
     C            -1.27390             5.53779            14.89504
     C            -2.44872             5.18850            14.15972
     C            -3.46152             4.41575            14.84985
     C            -4.34458             3.55191            14.17278
     C            -4.95808             2.42499            14.85265
     C            -5.26767             1.23270            14.13851
     C            -5.45629             0.01130            14.83756
     C            -5.25796            -1.23178            14.15182
     C            -4.93033            -2.42637            14.85329
     C            -4.33294            -3.54550            14.16337
     C            -3.46166            -4.42817            14.84847
     C            -2.45323            -5.21347            14.14789
     C            -1.24704            -5.54410            14.87251
     C            -0.00577            -5.59399            14.13788
     C             1.20328            -5.29358            14.85193
     C             2.30538            -4.80758            14.11091
     C             3.40335            -4.22712            14.82863
     C             4.36293            -3.41812            14.12850
     C             4.99996            -2.37888            14.84375
     C             5.48573            -1.23102            14.12016
     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            -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             7.40698            -0.03505            10.77732
     C             7.42514             0.42147            12.17983
     C             8.60464            -0.26669            10.14704
     H             8.54354            -0.96902             9.23306
     C             9.79372             0.13206            10.72151
     H            10.73761             0.07256            10.31769
     C             9.77671             0.74501            12.06389
     H            10.72598             0.67386            12.67001
     C             8.54313             1.01830            12.65499
     H             8.47275             1.62581            13.51515
          178
 Energy:   -1207.957474763956    
     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             5.70546            -0.02872             7.71762
     C             5.51548             1.25721             8.43569
     C             4.99156             2.40871             7.75616
     C             4.31999             3.43832             8.47586
     C             3.35801             4.21618             7.80483
     C             2.26999             4.72068             8.53072
     C             1.17257             5.23551             7.78341
     C            -0.04235             5.58035             8.44055
     C            -1.27174             5.50420             7.74252
     C            -2.43443             5.18219             8.45578
     C            -3.48211             4.48762             7.77272
     C            -4.32226             3.53543             8.48559
     C            -4.89841             2.42990             7.77789
     C            -5.20906             1.23559             8.48344
     C            -5.34422            -0.00983             7.77410
     C            -5.28764            -1.25399             8.50206
     C            -4.94317            -2.43856             7.79201
     C            -4.38207            -3.51557             8.49633
     C            -3.53895            -4.46846             7.78822
     C            -2.46160            -5.10476             8.46544
     C            -1.28207            -5.47423             7.77394
     C            -0.03769            -5.61043             8.45129
     C             1.16068            -5.23607             7.78864
     C             2.26519            -4.73270             8.50184
     C             3.32468            -4.14034             7.79992
     C             4.28526            -3.36180             8.47590
     C             5.00961            -2.43126             7.72670
     C             5.57565            -1.30131             8.39051
     C             5.99604            -0.06408            10.44435
     C             5.53610             1.24565             9.83309
     C             5.04634             2.39704            10.54384
     C             4.35016             3.47339             9.86326
     C             3.42248             4.27555            10.58680
     C             2.29342             4.80604             9.91987
     C             1.14343             5.36030            10.60258
     C            -0.05907             5.69168             9.86645
     C            -1.29432             5.67663            10.59855
     C            -2.47699             5.27094             9.86416
     C            -3.38411             4.46024            10.60587
     C            -4.22504             3.53078             9.91150
     C            -4.71365             2.41057            10.63573
     C            -5.02083             1.23553             9.87628
     C            -5.02197             0.01836            10.61628
     C            -5.18589            -1.21919             9.91976
     C            -4.86329            -2.41522            10.65223
     C            -4.33172            -3.52539             9.92198
     C            -3.40417            -4.42070            10.58231
     C            -2.42966            -5.13447             9.87289
     C            -1.28054            -5.55705            10.58544
     C            -0.01581            -5.64695             9.89655
     C             1.22193            -5.36613            10.60292
     C             2.33372            -4.80713             9.90038
     C             3.42638            -4.19059            10.58192
     C             4.40926            -3.45582             9.86324
     C             5.15463            -2.43318            10.53422
     C             5.60016            -1.32733             9.76507
     C             5.93563             0.00247            12.07467
     C             5.37933             1.28136            12.75414
     C             5.00891             2.42114            11.99504
     C             4.36273             3.51882            12.69902
     C             3.36923             4.28043            11.99337
     C             2.28016             4.90853            12.72954
     C             1.13858             5.38848            12.01676
     C            -0.06293             5.65133            12.72323
     C            -1.31045             5.64675            12.02115
     C            -2.45782             5.17904            12.73817
     C            -3.41959             4.41417            12.03206
     C            -4.30873             3.54726            12.76186
     C            -4.78878             2.42242            12.04360
     C            -5.12491             1.22202            12.73619
     C            -5.00132             0.01790            12.03092
     C            -5.06734            -1.19541            12.76754
     C            -4.78126            -2.42628            12.06582
     C            -4.26003            -3.55752            12.74083
     C            -3.41770            -4.47326            12.01586
     C            -2.45878            -5.26530            12.73009
     C            -1.26456            -5.63556            12.00444
     C            -0.01500            -5.59521            12.71800
     C             1.18932            -5.31192            12.00763
     C             2.35958            -4.84381            12.71589
     C             3.42350            -4.17937            12.00352
     C             4.43275            -3.42146            12.68804
     C             5.20128            -2.42896            11.98056
     C             5.58857            -1.29743            12.75024
     C             5.58101             0.03466            14.87285
     C             5.35753             1.26530            14.13501
     C             4.94072             2.40925            14.86663
     C             4.26360             3.41433            14.10391
     C             3.33722             4.20076            14.84813
     C             2.27149             4.78746            14.13030
     C             1.13948             5.22829            14.83840
     C            -0.06056             5.57999            14.15746
     C            -1.28053             5.50005            14.83853
     C            -2.48556             5.13543            14.16663
     C            -3.51194             4.46584            14.88494
     C            -4.34519             3.53844            14.17636
     C            -4.94698             2.44636            14.85340
     C            -5.28896             1.24925            14.15090
     C            -5.39483            -0.00164            14.86508
     C            -5.23704            -1.23407            14.16695
     C            -4.89259            -2.44478            14.85661
     C            -4.32997            -3.57901            14.15994
     C            -3.47810            -4.48570            14.88046
     C            -2.47507            -5.23444            14.16929
     C            -1.26463            -5.55676            14.85456
     C            -0.03966            -5.52033            14.13405
     C             1.17469            -5.23546            14.82246
     C             2.33925            -4.74048            14.13838
     C             3.41645            -4.16976            14.84326
     C             4.30741            -3.34144            14.09505
     C             5.02478            -2.35874            14.85769
     C             5.52982            -1.23957            14.15878
     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            -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             7.51331            -0.06590            10.81413
     C             7.49076             0.51844            12.18560
     C             8.72149            -0.39641            10.25560
     H             8.87806            -0.88509             9.19233
     C             9.90129             0.15723            10.76435
     H            10.80214            -0.02969            10.18896
     C             9.81012             0.72019            11.96079
     H            10.71230             0.70274            12.62130
     C             8.62218             1.13708            12.60094
     H             8.58328             1.86847            13.46712
          178
 Energy:   -1208.215627854776    
     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             5.73879            -0.00211             7.75749
     C             5.52671             1.23368             8.40064
     C             4.96886             2.37486             7.77356
     C             4.28326             3.38194             8.46616
     C             3.34810             4.16088             7.75707
     C             2.25673             4.71437             8.47053
     C             1.15639             5.22494             7.77659
     C            -0.06603             5.50107             8.45695
     C            -1.28231             5.46815             7.75047
     C            -2.50370             5.17719             8.43487
     C            -3.51138             4.43123             7.76185
     C            -4.29613             3.55565             8.49487
     C            -4.88526             2.44943             7.78413
     C            -5.12732             1.24219             8.49953
     C            -5.32382             0.00597             7.79949
     C            -5.23634            -1.24288             8.53226
     C            -4.94803            -2.42423             7.77914
     C            -4.40834            -3.56839             8.49302
     C            -3.57418            -4.44403             7.76256
     C            -2.47888            -5.08401             8.45735
     C            -1.26607            -5.41002             7.75931
     C            -0.03946            -5.52003             8.49184
     C             1.16267            -5.23702             7.77589
     C             2.26241            -4.68769             8.48849
     C             3.31826            -4.12032             7.74641
     C             4.26915            -3.38574             8.48132
     C             5.00642            -2.38690             7.79110
     C             5.58588            -1.26866             8.39519
     C             6.15499            -0.04389            10.44047
     C             5.58989             1.24646             9.82085
     C             5.06919             2.38315            10.57084
     C             4.30521             3.40443             9.90141
     C             3.37302             4.25693            10.59400
     C             2.26780             4.78212             9.88692
     C             1.12897             5.24370            10.55135
     C            -0.06551             5.57981             9.86419
     C            -1.30218             5.60278            10.56870
     C            -2.46742             5.23597             9.87557
     C            -3.38028             4.44141            10.60579
     C            -4.17664             3.54734             9.89710
     C            -4.76044             2.45407            10.60952
     C            -5.06125             1.24099             9.93794
     C            -5.04148             0.01093            10.62919
     C            -5.18165            -1.23176             9.97405
     C            -4.86457            -2.43587            10.65146
     C            -4.35078            -3.55300             9.92449
     C            -3.46067            -4.40659            10.61650
     C            -2.42008            -5.08791             9.88632
     C            -1.22503            -5.51386            10.60202
     C             0.00908            -5.58046             9.88918
     C             1.19729            -5.24758            10.59752
     C             2.32776            -4.77286             9.89876
     C             3.40419            -4.20601            10.60839
     C             4.36829            -3.44151             9.90122
     C             5.21023            -2.43733            10.53559
     C             5.65098            -1.29725             9.79818
     C             6.08183             0.01983            12.12478
     C             5.44717             1.25973            12.73566
     C             5.00714             2.39839            12.01239
     C             4.27554             3.45517            12.70337
     C             3.36496             4.30618            12.01138
     C             2.29758             4.86302            12.72489
     C             1.13899             5.29349            11.99834
     C            -0.07626             5.56213            12.70683
     C            -1.30965             5.59782            12.01137
     C            -2.44901             5.12798            12.74148
     C            -3.42254             4.40981            12.01138
     C            -4.31146             3.56038            12.71896
     C            -4.85348             2.43823            12.03980
     C            -5.14837             1.24856            12.74125
     C            -4.95530            -0.00003            12.05224
     C            -5.07897            -1.23704            12.74686
     C            -4.87482            -2.45201            12.07216
     C            -4.27710            -3.58508            12.73544
     C            -3.41596            -4.45508            12.02291
     C            -2.44866            -5.22116            12.74266
     C            -1.26232            -5.56095            12.03525
     C            -0.02979            -5.49336            12.71649
     C             1.21317            -5.25947            12.04503
     C             2.35699            -4.78619            12.72957
     C             3.41076            -4.18076            12.01036
     C             4.35697            -3.35714            12.69086
     C             5.19266            -2.38922            11.98776
     C             5.66994            -1.26932            12.77278
     C             5.63324             0.03863            14.84791
     C             5.41081             1.25616            14.15997
     C             4.93959             2.40921            14.82434
     C             4.24057             3.41606            14.14422
     C             3.33460             4.19399            14.87177
     C             2.26453             4.79723            14.16174
     C             1.10958             5.24321            14.86198
     C            -0.07978             5.49934            14.10865
     C            -1.30324             5.41556            14.87660
     C            -2.49927             5.11564            14.16110
     C            -3.54967             4.44573            14.87871
     C            -4.35830             3.54406            14.15451
     C            -4.94939             2.43015            14.87072
     C            -5.27079             1.24329            14.15427
     C            -5.36003            -0.00081            14.85934
     C            -5.16417            -1.23659            14.16152
     C            -4.89006            -2.44223            14.85309
     C            -4.30262            -3.57627            14.15692
     C            -3.51285            -4.49993            14.87521
     C            -2.50656            -5.24118            14.16946
     C            -1.27980            -5.48678            14.87228
     C            -0.04543            -5.47380            14.13761
     C             1.17146            -5.19417            14.86540
     C             2.32623            -4.75818            14.14523
     C             3.39713            -4.12881            14.86074
     C             4.30990            -3.29735            14.13980
     C             5.03559            -2.35175            14.86364
     C             5.55104            -1.20647            14.18157
     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            -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             7.64703            -0.11477            10.88328
     C             7.63152             0.60977            12.17921
     C             8.82962            -0.46462            10.27518
     H             8.70943            -1.06276             9.28531
     C             9.97221             0.08750            10.76270
     H            10.99987            -0.04125            10.22760
     C             9.90825             0.78378            12.01790
     H            10.86730             1.19751            12.40658
     C             8.74040             1.22433            12.57518
     H             8.92097             2.01073            13.42697
          178
 Energy:   -1208.828270334634    
     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             5.67844             0.00386             7.75927
     C             5.53685             1.23015             8.48855
     C             4.98719             2.31623             7.77575
     C             4.24708             3.31112             8.50568
     C             3.34226             4.14254             7.76663
     C             2.26856             4.75317             8.43113
     C             1.11997             5.24644             7.75717
     C            -0.06495             5.44563             8.48971
     C            -1.30216             5.42214             7.79343
     C            -2.52783             5.18411             8.47141
     C            -3.48370             4.41648             7.75418
     C            -4.29841             3.51052             8.48533
     C            -4.87818             2.42310             7.81429
     C            -5.08393             1.22590             8.54004
     C            -5.33296             0.01472             7.83856
     C            -5.18950            -1.20390             8.53990
     C            -4.96154            -2.42504             7.82863
     C            -4.43695            -3.57459             8.48956
     C            -3.50444            -4.41582             7.76937
     C            -2.47072            -5.07126             8.48620
     C            -1.26232            -5.35426             7.80361
     C            -0.03618            -5.42278             8.49243
     C             1.16830            -5.25698             7.77960
     C             2.26266            -4.71889             8.46923
     C             3.34180            -4.14754             7.77938
     C             4.30634            -3.36909             8.49018
     C             5.00904            -2.34604             7.76833
     C             5.58080            -1.22130             8.49583
     C             6.19870            -0.02708            10.49029
     C             5.66470             1.27418             9.86024
     C             5.06922             2.31741            10.60552
     C             4.27334             3.31578             9.92127
     C             3.35141             4.19194            10.59629
     C             2.25999             4.75386             9.83721
     C             1.11341             5.17905            10.59135
     C            -0.06448             5.44221             9.88741
     C            -1.28067             5.56333            10.58083
     C            -2.46341             5.16764             9.87164
     C            -3.43252             4.44935            10.59907
     C            -4.21725             3.49353             9.89070
     C            -4.82613             2.46152            10.60919
     C            -5.06719             1.23824             9.93676
     C            -5.10762            -0.00498            10.66711
     C            -5.11870            -1.24370             9.93709
     C            -4.90632            -2.47256            10.63314
     C            -4.35745            -3.55638             9.90944
     C            -3.47599            -4.44868            10.62358
     C            -2.41347            -5.05139             9.91156
     C            -1.24688            -5.47148            10.61317
     C            -0.00665            -5.46565             9.92081
     C             1.17463            -5.17898            10.63657
     C             2.29697            -4.73178             9.88875
     C             3.42139            -4.19560            10.61594
     C             4.35750            -3.35386             9.91976
     C             5.20486            -2.40021            10.59965
     C             5.72188            -1.30345             9.87449
     C             6.18850             0.08332            12.11958
     C             5.49643             1.28538            12.75394
     C             4.98878             2.34978            12.02048
     C             4.22438             3.32650            12.72143
     C             3.40720             4.26965            12.02391
     C             2.27081             4.83460            12.73080
     C             1.13638             5.20498            11.97683
     C            -0.05166             5.48089            12.68958
     C            -1.30023             5.51071            11.99047
     C            -2.44904             5.11143            12.73500
     C            -3.46034             4.43360            12.01735
     C            -4.30890             3.53973            12.72617
     C            -4.89819             2.47952            11.99730
     C            -5.11272             1.24371            12.73703
     C            -5.05907            -0.00240            12.07171
     C            -5.05485            -1.25140            12.74313
     C            -4.90605            -2.50460            12.03702
     C            -4.31887            -3.55512            12.75828
     C            -3.47372            -4.45039            12.05040
     C            -2.45682            -5.15796            12.74289
     C            -1.24512            -5.46118            12.02707
     C            -0.00376            -5.42164            12.75541
     C             1.19220            -5.20176            12.02460
     C             2.32853            -4.74108            12.75307
     C             3.42771            -4.16346            12.04464
     C             4.30312            -3.26039            12.72540
     C             5.15772            -2.32072            12.03330
     C             5.74592            -1.25187            12.75164
     C             5.63499             0.01764            14.87237
     C             5.46270             1.24742            14.13622
     C             4.95819             2.36808            14.87564
     C             4.24885             3.39828            14.13611
     C             3.32643             4.24332            14.85525
     C             2.25925             4.83575            14.13797
     C             1.14359             5.29587            14.85564
     C            -0.09321             5.41202            14.14737
     C            -1.29376             5.34979            14.85396
     C            -2.49576             5.09690            14.15741
     C            -3.52178             4.40439            14.84064
     C            -4.40590             3.52662            14.12732
     C            -4.95030             2.42677            14.83852
     C            -5.23119             1.22862            14.14585
     C            -5.34849            -0.00881            14.83505
     C            -5.11239            -1.22557            14.14597
     C            -4.88031            -2.43431            14.85657
     C            -4.32223            -3.52985            14.15716
     C            -3.52508            -4.47469            14.86758
     C            -2.50085            -5.20810            14.17181
     C            -1.26766            -5.40493            14.86085
     C            -0.03205            -5.41988            14.17347
     C             1.17265            -5.21433            14.86649
     C             2.31051            -4.76986            14.15973
     C             3.35676            -4.14749            14.84951
     C             4.29944            -3.32264            14.13915
     C             5.03972            -2.32004            14.87119
     C             5.57083            -1.22024            14.14559
     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            -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             7.77367            -0.12269            10.90635
     C             7.78977             0.62234            12.20440
     C             8.88669            -0.49432            10.26101
     H             8.93860            -1.23858             9.44929
     C            10.07274             0.01187            10.85945
     H            11.09703            -0.10683            10.27464
     C            10.11130             0.89844            11.95754
     H            11.02948             1.43460            12.17814
     C             8.91323             1.28677            12.61136
     H             8.69685             2.07770            13.46429
          178
 Energy:   -1209.532080852678    
     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             5.59763            -0.00560             7.81114
     C             5.55078             1.22782             8.51176
     C             4.97947             2.33745             7.79812
     C             4.21504             3.24679             8.51005
     C             3.36276             4.14767             7.80328
     C             2.27827             4.79742             8.47569
     C             1.15559             5.26650             7.77544
     C            -0.07554             5.40217             8.49055
     C            -1.27976             5.40730             7.76625
     C            -2.47354             5.14286             8.47930
     C            -3.48369             4.41367             7.79571
     C            -4.28193             3.47388             8.47374
     C            -4.86748             2.36117             7.76973
     C            -5.12496             1.19605             8.52206
     C            -5.33355             0.00806             7.77843
     C            -5.16718            -1.22172             8.50832
     C            -4.96829            -2.42203             7.77945
     C            -4.39433            -3.55444             8.48783
     C            -3.47228            -4.36887             7.80494
     C            -2.42725            -5.02642             8.52446
     C            -1.25244            -5.32892             7.78218
     C            -0.03545            -5.36523             8.51771
     C             1.17505            -5.25961             7.78311
     C             2.31448            -4.78158             8.51253
     C             3.41958            -4.18920             7.81365
     C             4.33871            -3.31026             8.51188
     C             5.02309            -2.33520             7.79351
     C             5.53594            -1.25012             8.50686
     C             6.25093            -0.01071            10.57526
     C             5.73023             1.23936             9.94474
     C             5.03067             2.28198            10.62521
     C             4.24524             3.22830             9.92299
     C             3.35713             4.10944            10.58861
     C             2.28865             4.71984             9.88709
     C             1.15385             5.12003            10.58614
     C            -0.06792             5.36216             9.90846
     C            -1.30305             5.47015            10.60147
     C            -2.48434             5.14322             9.90840
     C            -3.51496             4.43559            10.60189
     C            -4.29535             3.49952             9.89209
     C            -4.88932             2.41083            10.61185
     C            -5.07073             1.18385             9.95019
     C            -5.17925            -0.01556            10.63999
     C            -5.07124            -1.22274             9.94290
     C            -4.94403            -2.48029            10.59675
     C            -4.36717            -3.60040             9.90835
     C            -3.50969            -4.45956            10.62857
     C            -2.44608            -5.06811             9.92355
     C            -1.27346            -5.39283            10.63532
     C            -0.05616            -5.34746             9.92224
     C             1.17015            -5.13825            10.62068
     C             2.31665            -4.69221             9.92154
     C             3.43342            -4.12775            10.61244
     C             4.36853            -3.29188             9.92834
     C             5.14174            -2.32401            10.66110
     C             5.75609            -1.27894             9.93178
     C             6.28108             0.12841            12.16004
     C             5.56666             1.26962            12.77548
     C             4.95794             2.27491            12.03635
     C             4.22153             3.27548            12.73203
     C             3.36409             4.16268            12.01547
     C             2.31558             4.79889            12.69812
     C             1.13126             5.14894            12.01723
     C            -0.06286             5.39068            12.74128
     C            -1.26640             5.43017            12.02290
     C            -2.46827             5.12247            12.71450
     C            -3.51934             4.45696            12.01849
     C            -4.34850             3.54167            12.71695
     C            -4.90846             2.43742            12.03603
     C            -5.09627             1.23891            12.71289
     C            -5.21167            -0.01139            12.04908
     C            -5.05417            -1.24626            12.72637
     C            -4.90373            -2.45183            12.03048
     C            -4.35858            -3.55735            12.75246
     C            -3.54034            -4.47315            12.04411
     C            -2.45748            -5.10541            12.74949
     C            -1.24077            -5.36590            12.05914
     C            -0.02464            -5.38082            12.76221
     C             1.17022            -5.12532            12.05641
     C             2.32574            -4.72674            12.73887
     C             3.41402            -4.10416            12.04595
     C             4.29527            -3.21527            12.74824
     C             5.11939            -2.26556            12.06617
     C             5.78832            -1.19999            12.73974
     C             5.62134             0.00997            14.84969
     C             5.47582             1.24525            14.18725
     C             4.96258             2.36737            14.85763
     C             4.24520             3.33292            14.15827
     C             3.38875             4.26040            14.82704
     C             2.30939             4.88311            14.11307
     C             1.16771             5.33067            14.84308
     C            -0.04031             5.38127            14.12291
     C            -1.26661             5.32555            14.85693
     C            -2.47003             5.04724            14.13275
     C            -3.49903             4.35540            14.86703
     C            -4.38677             3.52760            14.14707
     C            -4.96419             2.42062            14.85915
     C            -5.18697             1.22322            14.12396
     C            -5.33913            -0.00817            14.85898
     C            -5.11076            -1.22722            14.14577
     C            -4.87009            -2.39201            14.87573
     C            -4.34899            -3.51791            14.17871
     C            -3.50606            -4.41863            14.87339
     C            -2.46923            -5.10543            14.16812
     C            -1.25149            -5.35783            14.86432
     C            -0.03239            -5.37476            14.16308
     C             1.19230            -5.27112            14.86855
     C             2.29934            -4.76538            14.15473
     C             3.39218            -4.17927            14.86549
     C             4.27425            -3.31573            14.15812
     C             5.00514            -2.36529            14.84303
     C             5.59632            -1.22934            14.15135
     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            -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             7.78978            -0.06722            10.85221
     C             7.94292             0.56880            12.24886
     C             9.03081            -0.49897            10.35958
     H             9.12779            -1.10529             9.51685
     C            10.20022            -0.01504            10.91301
     H            11.17779            -0.43314            10.48259
     C            10.23311             1.03473            11.87671
     H            11.17488             1.48054            12.09688
     C             9.08245             1.25932            12.61541
     H             9.19027             2.08008            13.39928
          178
 Energy:   -1209.134227302040    
     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             5.55908            -0.01482             7.81570
     C             5.56020             1.22447             8.53072
     C             5.00060             2.32232             7.79031
     C             4.18080             3.26261             8.50526
     C             3.36397             4.18492             7.78502
     C             2.34937             4.80074             8.54046
     C             1.20213             5.28141             7.81629
     C            -0.03017             5.38732             8.48862
     C            -1.24998             5.39917             7.77582
     C            -2.44472             5.06649             8.49049
     C            -3.48240             4.37772             7.76561
     C            -4.29259             3.43818             8.48939
     C            -4.83672             2.35937             7.78698
     C            -5.19482             1.16695             8.47224
     C            -5.33056            -0.05000             7.77213
     C            -5.17223            -1.24323             8.47434
     C            -4.93035            -2.44667             7.77527
     C            -4.34695            -3.49919             8.48783
     C            -3.44592            -4.33805             7.76702
     C            -2.41093            -4.96975             8.48979
     C            -1.23193            -5.31997             7.78631
     C            -0.02876            -5.34272             8.50083
     C             1.22600            -5.23733             7.82228
     C             2.41339            -4.82477             8.53230
     C             3.48008            -4.23554             7.80132
     C             4.31265            -3.34564             8.53030
     C             5.03199            -2.36201             7.78300
     C             5.53366            -1.22953             8.53904
     C             6.31382            -0.00618            10.56139
     C             5.69610             1.24516             9.91546
     C             5.01333             2.21311            10.64652
     C             4.21557             3.16382             9.91043
     C             3.35795             4.01420            10.61836
     C             2.33284             4.70096             9.94192
     C             1.12914             5.08702            10.63053
     C            -0.06704             5.33170             9.90029
     C            -1.28856             5.33952            10.64069
     C            -2.52322             5.12009             9.91400
     C            -3.58119             4.45061            10.59953
     C            -4.40226             3.49354             9.90092
     C            -4.90137             2.38710            10.61824
     C            -5.12712             1.17764             9.88238
     C            -5.23620            -0.04783            10.61080
     C            -5.10704            -1.26285             9.87389
     C            -4.91671            -2.46071            10.61753
     C            -4.43146            -3.57891             9.90360
     C            -3.57791            -4.47863            10.62981
     C            -2.48778            -5.09159             9.94158
     C            -1.27025            -5.29000            10.66737
     C            -0.05290            -5.26559             9.92656
     C             1.15268            -5.07246            10.63706
     C             2.36220            -4.69704             9.95852
     C             3.41468            -4.02641            10.64258
     C             4.36713            -3.24957             9.95518
     C             5.08730            -2.23481            10.65242
     C             5.70473            -1.23705             9.91837
     C             6.46275             0.09562            12.24017
     C             5.61638             1.25936            12.82451
     C             4.94672             2.22270            12.06914
     C             4.22673             3.25285            12.73301
     C             3.32386             4.01446            11.99590
     C             2.34586             4.77699            12.70797
     C             1.15104             5.11604            12.02013
     C            -0.04356             5.30588            12.73249
     C            -1.29648             5.36462            12.04362
     C            -2.50939             5.09862            12.73498
     C            -3.58195             4.47973            12.01796
     C            -4.40729             3.55776            12.75314
     C            -4.88156             2.40259            12.02685
     C            -5.16122             1.17680            12.74469
     C            -5.30219            -0.01413            12.01115
     C            -5.13805            -1.20025            12.74013
     C            -4.87547            -2.42397            12.02053
     C            -4.40768            -3.56270            12.74243
     C            -3.56930            -4.50694            12.04793
     C            -2.48052            -5.04130            12.76391
     C            -1.29338            -5.30272            12.06238
     C            -0.04716            -5.32407            12.74270
     C             1.15718            -5.08152            12.02943
     C             2.35222            -4.69384            12.73298
     C             3.38158            -4.01963            12.02289
     C             4.29065            -3.23372            12.74430
     C             5.09933            -2.20785            12.08274
     C             5.77373            -1.20325            12.81190
     C             5.61438             0.00122            14.88885
     C             5.47964             1.23570            14.19109
     C             4.96662             2.35986            14.88013
     C             4.21986             3.32540            14.13181
     C             3.44249             4.25648            14.85736
     C             2.42109             4.91770            14.12898
     C             1.24040             5.31601            14.84592
     C            -0.01890             5.40533            14.16475
     C            -1.23291             5.32674            14.85083
     C            -2.42851             4.98777            14.15604
     C            -3.45437             4.35231            14.86483
     C            -4.35909             3.50519            14.17017
     C            -4.95091             2.41706            14.85296
     C            -5.16974             1.21080            14.15395
     C            -5.32068             0.01219            14.85007
     C            -5.14895            -1.18916            14.14778
     C            -4.86769            -2.39058            14.85821
     C            -4.36637            -3.52025            14.16235
     C            -3.46818            -4.35433            14.87457
     C            -2.42865            -4.97624            14.17015
     C            -1.25181            -5.32773            14.87016
     C            -0.02577            -5.38302            14.15777
     C             1.21024            -5.29226            14.84736
     C             2.35386            -4.78140            14.15023
     C             3.41618            -4.21687            14.85707
     C             4.25131            -3.30992            14.14764
     C             5.02785            -2.34104            14.87773
     C             5.60533            -1.23692            14.19101
     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            -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             7.91677             0.01514            10.90634
     C             8.03880             0.53368            12.27286
     C             9.11168            -0.47695            10.42477
     H             9.07402            -1.07104             9.58585
     C            10.35934            -0.00735            10.94317
     H            11.27472            -0.53166            10.86304
     C            10.34198             1.05923            11.78520
     H            11.19926             1.63109            12.03138
     C             9.20925             1.20135            12.58860
     H             9.19643             1.81830            13.47288
          178
 Energy:   -1207.915646716673    
     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             5.60200             0.00417             7.75834
     C             5.51760             1.22905             8.46484
     C             4.98848             2.34580             7.77234
     C             4.24310             3.26174             8.48310
     C             3.40676             4.18922             7.79734
     C             2.37636             4.83834             8.53450
     C             1.26334             5.28636             7.79914
     C             0.01359             5.41389             8.51921
     C            -1.23890             5.35288             7.81409
     C            -2.45384             4.99971             8.48581
     C            -3.45043             4.30830             7.79232
     C            -4.31994             3.45824             8.49961
     C            -4.86757             2.33722             7.77163
     C            -5.23184             1.17033             8.45453
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     C             4.20725             3.10854             9.91171
     C             3.29464             3.92044            10.63918
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     C             1.14679             5.06706            10.63025
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     H            11.25462             1.78453            11.86498
     C             9.28944             1.15207            12.63885
     H             9.42326             1.68143            13.50357
          178
 Energy:   -1206.875572152074    
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     C             8.07339            -0.02318            10.87805
     C             8.14612             0.55380            12.35057
     C             9.29339            -0.41834            10.34307
     H             9.28325            -1.24315             9.58411
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     H            11.48632            -0.30986            10.49366
     C            10.51769             0.96577            11.82601
     H            11.31602             1.73774            11.80250
     C             9.42520             1.13739            12.76589
     H             9.54808             1.68169            13.62157
