           43
Energy of minimum      1=      -64.2312211464 first found at step        0
C82         0.1133892671        2.0221699324        2.7509287204
C81         1.3277467219        1.9662414718        1.7992817427
C8          0.9605387302        2.0935133926        0.2948328610
C9          0.3022436453        3.4574008923       -0.0309340526
C91         0.1437175719        3.6670729506       -1.5495349795
O7          0.0469632537        1.0263623494       -0.0974758986
C6          0.6282999147       -0.2771846179       -0.3622547529
C7          1.2039587893       -0.2724800045       -1.7677194037
C2          1.0438490230       -1.2798498635       -2.6577508067
C1          1.6600578171       -1.2391910519       -4.0311753522
O1B         1.4726836900       -2.1583750236       -4.8119489003
O1A         2.3414129028       -0.2846703301       -4.3705147797
C3          0.2406330157       -2.5253097292       -2.3077303368
C4          0.0035658653       -2.6803659560       -0.7869993561
N4         -0.9659781798       -3.7757999316       -0.5327360308
HAB        -1.8786682809       -3.5036446454       -0.9094655601
HAA        -1.1248769288       -3.8287833670        0.4773733345
C5         -0.4858229501       -1.3350715144       -0.1907359985
N5         -0.8870301364       -1.4493768016        1.2298262305
HAD        -0.1548514380       -1.4407345860        1.9229216230
C10        -2.1583314422       -1.5064099428        1.6726988980
C11        -2.3101693425       -1.5730175288        3.1782088785
O10        -3.1069347464       -1.5102935876        0.9053230783
HM1        -0.7225806910       -2.4798911942       -2.8221314662
HM2         0.7477403614       -3.4244252518       -2.6662595079
HM3        -1.8044704663       -2.4585345815        3.5710207085
HM4        -3.3645966802       -1.6209136892        3.4612527822
HM5        -1.8654625595       -0.6905114541        3.6443647934
HM6         0.9626723144       -2.9314789460       -0.3154878935
HM7         1.7855333694        0.6061676353       -2.0383725616
HM8        -1.3443910804       -0.9962928249       -0.7812045620
HM9        -0.3774861346        2.9963332266        2.7070734997
HM10       -0.6180737978        1.2514626493        2.5015906900
HM11        0.4396470466        1.8586277473        3.7803217140
HM12        2.0211863920        2.7675065560        2.0662094893
HM13        1.8637436515        1.0293432199        1.9660463227
HM14        1.8827297930        2.0167442965       -0.2888951635
HM15       -0.6793429797        3.5324404704        0.4431498342
HM16        0.9208581781        4.2642697485        0.3699786180
HM17        1.1138678202        3.6143149125       -2.0489970599
HM18       -0.2914169537        4.6485905507       -1.7501073607
HM19       -0.5125157755        2.9088947516       -1.9827569915
HM20        1.4259614291       -0.4848503301        0.3587849564
           43
Energy of minimum      2=      -63.7701918484 first found at step       94
C82        -2.8531343642        0.5841310856       -1.8149676628
C81        -2.4683815992       -0.8489218936       -1.3892424948
C8         -2.0751550745       -0.9820480656        0.1082850458
C9         -3.2415326158       -0.6000415251        1.0537875496
C91        -2.9253554259       -0.9483994191        2.5214539182
O7         -0.9267198440       -0.1343608332        0.4113447355
C6          0.3837783714       -0.6384236412        0.0399770654
C7          0.8364458549       -1.6307666462        1.0973066125
C2          2.0776538824       -1.6565230271        1.6362134499
C1          2.4829980600       -2.6824924187        2.6614927035
O1B         3.6057523704       -2.6580123845        3.1394859316
O1A         1.6889450556       -3.5365411629        3.0229062961
C3          3.1432931972       -0.6534618481        1.2173705450
C4          2.8086364909        0.0657017250       -0.1106734673
N4          3.7606260461        1.1859159131       -0.3268324301
HAB         4.7051274475        0.8144148824       -0.4707468218
HAA         3.5225894493        1.6561470427       -1.2049890376
C5          1.3431204919        0.5688960911       -0.0861650382
N5          1.0047333309        1.3875031976       -1.2732806606
HAD         1.0589497700        0.9430513557       -2.1763382294
C10         0.5883794179        2.6690169290       -1.2391796083
C11         0.2740321542        3.2729320151       -2.5927758316
O10         0.4801958798        3.2891461381       -0.1935742145
HM1         3.2566795171        0.0903665406        2.0101726964
HM2         4.1126253707       -1.1450754702        1.1048496593
HM3        -0.0820378835        4.3007417479       -2.4875250496
HM4        -0.4977675428        2.6890862997       -3.1002713705
HM5         1.1675641162        3.2774747895       -3.2218573727
HM6         2.9031494488       -0.6592856315       -0.9300027024
HM7         0.0935218832       -2.3614758753        1.4093921631
HM8         1.2246681634        1.1751471507        0.8178998967
HM9        -3.0421858051        0.6148909660       -2.8902148297
HM10       -2.0509394533        1.2893593073       -1.5920952491
HM11       -3.7605868913        0.9161300393       -1.3067932343
HM12       -3.3095123445       -1.5148113859       -1.5972368417
HM13       -1.6428957868       -1.1937282276       -2.0158226250
HM14       -1.8166022107       -2.0277536419        0.2994381136
HM15       -3.4607472237        0.4679440615        0.9806686674
HM16       -4.1434980013       -1.1395059877        0.7538897791
HM17       -2.0580381419       -0.3885427760        2.8784847276
HM18       -2.7187079975       -2.0158164251        2.6280785880
HM19       -3.7768173534       -0.6995300236        3.1586654791
HM20        0.3271497892       -1.1424789679       -0.9305788514
           43
Energy of minimum      3=      -63.4089889183 first found at step       75
C82         2.6539089232        0.2800991061       -3.3337185508
C81         1.3720428341        0.3221670113       -2.4780570534
C8          1.2206652504       -0.9182709195       -1.5556844601
C9          0.9546778150       -2.2153192290       -2.3623432814
C91         0.8187768959       -3.4496918144       -1.4484881031
O7          0.0961405641       -0.7008505842       -0.6540661839
C6          0.3514213258        0.0840078242        0.5400043416
C7          0.9724794195       -0.8196388268        1.5899052494
C2          0.6200910380       -0.8159074873        2.8970032636
C1          1.2864508369       -1.7115324556        3.9075791107
O1B         0.9233946066       -1.6933046384        5.0726751807
O1A         2.1852888696       -2.4628419729        3.5639397571
C3         -0.4671277733        0.1129270373        3.4218956891
C4         -0.8123557695        1.2559204821        2.4375896487
N4         -2.0279307417        1.9738745546        2.8972412377
HAB        -2.2454305358        2.6996435056        2.2084543205
HAA        -2.8285266096        1.3374690269        2.8413319286
C5         -0.9941849920        0.6819595366        1.0085027621
N5         -1.4839531760        1.6876767725        0.0387374001
HAD        -0.8041204887        2.3092946767       -0.3711772083
C10        -2.7549998134        1.7880737847       -0.3965856392
C11        -2.9908161611        2.8574450384       -1.4427184473
O10        -3.6403077869        1.0663928298        0.0326802010
HM1        -1.3658797170       -0.4755570933        3.6229335677
HM2        -0.1650385820        0.5613397218        4.3715308139
HM3        -2.7225477588        3.8402071146       -1.0472183014
HM4        -4.0401662899        2.8797426803       -1.7470584099
HM5        -2.3768094272        2.6647561934       -2.3260099850
HM6         0.0330853325        1.9559909783        2.4169254545
HM7         1.7535855865       -1.4895032551        1.2363001518
HM8        -1.7123949081       -0.1437782264        1.0640703186
HM9         2.6209544150       -0.5343372979       -4.0596945513
HM10        3.5354425021        0.1512073802       -2.7015152192
HM11        2.7644892248        1.2157575501       -3.8862654782
HM12        1.4050161521        1.2303726437       -1.8723551445
HM13        0.5021084700        0.4077283115       -3.1344237648
HM14        2.1365924955       -1.0502730433       -0.9713308218
HM15        0.0475979458       -2.1048535021       -2.9623965563
HM16        1.7798047487       -2.3984013750       -3.0532588350
HM17        0.6852758314       -4.3502817760       -2.0518765341
HM18       -0.0438379541       -3.3558762674       -0.7850899497
HM19        1.7158268706       -3.5769006567       -0.8381045274
HM20        1.0413105311        0.9030666607        0.3101366086
           43
Energy of minimum      4=      -63.2946147262 first found at step       43
C82        -0.1907520736       -2.4977194754        2.2456441889
C81        -1.0859795963       -1.3172913081        2.6697358589
C8         -0.7298998099       -0.0196812178        1.9019114079
C9         -1.4547002025        1.2221975418        2.4922168860
C91        -2.9932496357        1.1693487077        2.3760933589
O7         -1.0784411302       -0.1979398628        0.4963572595
C6         -0.4572176680        0.6915922348       -0.4688805777
C7         -1.5210292978        1.0030355649       -1.5029099714
C2         -1.3217537660        0.9756121821       -2.8412954255
C1         -2.4126113207        1.3214575390       -3.8200982548
O1B        -2.1977274954        1.2629365612       -5.0201043177
O1A        -3.5169202563        1.6515853449       -3.4174781977
C3          0.0343747622        0.6129597301       -3.4289253419
C4          1.1794924118        0.7222584899       -2.3957357345
N4          2.4326863227        0.1690932624       -2.9688941003
HAB         2.3123186957       -0.8363977640       -3.1218883338
HAA         3.1600718484        0.2228431914       -2.2503303797
C5          0.7825327320       -0.0061023706       -1.0850075404
N5          1.9054659275       -0.0762862992       -0.1223581945
HAD         2.1447148033        0.7658273621        0.3791907125
C10         2.6289918181       -1.1826803408        0.1412270605
C11         3.6987319729       -1.0099626770        1.1987351271
O10         2.4271065046       -2.2369334309       -0.4378429111
HM1        -0.0090999617       -0.4075913152       -3.8175183414
HM2         0.2758132687        1.2628308927       -4.2735936018
HM3         4.2394224989       -1.9454752406        1.3621020848
HM4         3.2483702977       -0.6993489677        2.1447914269
HM5         4.4145054150       -0.2433068781        0.8920911702
HM6         1.3282848472        1.7844631409       -2.1616402947
HM7        -2.4945152979        1.2719057050       -1.0964448832
HM8         0.4730812140       -1.0231402544       -1.3503869340
HM9        -0.3144457554       -2.7211553732        1.1836483933
HM10        0.8606878909       -2.2702617074        2.4347161855
HM11       -0.4538396195       -3.3921024818        2.8146444573
HM12       -2.1320426578       -1.5855008523        2.5032575240
HM13       -0.9586698618       -1.1521304355        3.7425661592
HM14        0.3478210823        0.1392694737        1.9935728369
HM15       -1.1849379036        1.3242456545        3.5462717329
HM16       -1.0945010039        2.1262105054        1.9962867714
HM17       -3.3063294832        1.0692628665        1.3348555125
HM18       -3.4272329321        2.0902379889        2.7716864476
HM19       -3.4042266643        0.3344921411        2.9470072080
HM20       -0.1543509204        1.6273421718        0.0127235658
           43
Energy of minimum      5=      -63.1438189155 first found at step       50
C82        -0.5179776274       -3.2030590556       -0.2216333928
C81        -0.0339512283       -2.5336055959        1.0822581257
C8         -0.8800731491       -1.2997422100        1.5122461712
C9         -2.3826187137       -1.6115863565        1.7415133615
C91        -2.6199805339       -2.6483528080        2.8576415883
O7         -0.7977586144       -0.2589911614        0.4946224865
C6          0.3957614738        0.5678882845        0.4869634033
C7          0.2309675856        1.6607618459        1.5280192935
C2          0.5491654374        2.9603294082        1.3216164585
C1          0.3937381735        4.0023057368        2.3975746374
O1B         0.6713241143        5.1675834724        2.1638929407
O1A        -0.0181876228        3.6867368582        3.5026843382
C3          1.1020474423        3.4375586951       -0.0147686929
C4          1.6160860285        2.2790602968       -0.9018661946
N4          1.9260050821        2.7807564490       -2.2645203947
HAB         1.0557960093        3.0833279817       -2.7119922373
HAA         2.2294184547        1.9850212623       -2.8330611426
C5          0.5660433633        1.1386696917       -0.9393747565
N5          0.9194026015        0.0639949975       -1.8946041756
HAD         1.5995308123       -0.6185040476       -1.5975383493
C10         0.3605868407       -0.1070056817       -3.1086810869
C11         0.8577396330       -1.3127936831       -3.8786710248
O10        -0.4781511218        0.6643373656       -3.5448276378
HM1         0.3174226480        3.9811579340       -0.5470635031
HM2         1.9250009337        4.1402298634        0.1373365907
HM3         1.9351527257       -1.2378485235       -4.0451921034
HM4         0.3604770308       -1.3870794694       -4.8489466720
HM5         0.6616631062       -2.2293876457       -3.3170996576
HM6         2.5327772990        1.8813238883       -0.4471522498
HM7        -0.1584174892        1.3405404339        2.4922712812
HM8        -0.3964340192        1.5755523013       -1.2282029520
HM9        -1.5086542768       -3.6437257230       -0.0942337677
HM10       -0.5586446730       -2.4831641239       -1.0413013903
HM11        0.1689776698       -4.0028639759       -0.5066539831
HM12       -0.0320671597       -3.2755885553        1.8834232576
HM13        1.0078634185       -2.2328963096        0.9533392258
HM14       -0.4733123622       -0.9113515111        2.4508856244
HM15       -2.8917919572       -0.6863976981        2.0236293334
HM16       -2.8505419013       -1.9589743430        0.8174310546
HM17       -2.2370484590       -3.6303090151        2.5727575419
HM18       -3.6899511989       -2.7497077393        3.0521627066
HM19       -2.1322822536       -2.3365775604        3.7841096387
HM20        1.2748964774       -0.0376239733        0.7310063049
           43
Energy of minimum      6=      -63.1044423997 first found at step      265
C82         2.8690640368        0.5754297028        1.4113977539
C81         2.9196321241        1.1638156303       -0.0115728148
C8          2.0442313900        0.3902086274       -1.0331336087
C9          2.2841950240        0.9557942539       -2.4555223338
C91         1.5229576515        0.1694885477       -3.5407983984
O7          0.6306618692        0.5472097223       -0.7059920911
C6         -0.0238892722       -0.5451787325       -0.0050635350
C7         -0.3037372016       -1.6682159572       -0.9889623403
C2         -1.4786485855       -2.3347476255       -1.0709926189
C1         -1.6908878278       -3.4644995564       -2.0440892418
O1B        -2.7732535937       -4.0256103951       -2.1020393888
O1A        -0.7847946192       -3.8182737281       -2.7818402580
C3         -2.6487436201       -1.9895852929       -0.1607707982
C4         -2.2279814703       -1.1603797393        1.0754035046
N4         -3.4387292054       -0.6659536091        1.7809076341
HAB        -3.9582777657       -1.4577320382        2.1734388322
HAA        -3.1471406628       -0.1106326020        2.5906589732
C5         -1.3160356474        0.0135561655        0.6390647285
N5         -0.9895460813        0.9246208761        1.7599103340
HAD        -0.5771997449        0.5186450723        2.5850764251
C10        -1.1230491604        2.2655404436        1.7323299687
C11        -0.6272123399        2.9799098202        2.9728290978
O10        -1.6127296251        2.8502970262        0.7794398621
HM1        -3.3882018741       -1.4271146851       -0.7365175135
HM2        -3.1456912555       -2.8972790256        0.1900077648
HM3         0.4375395368        2.7840474201        3.1222804822
HM4        -1.1672220521        2.6275361675        3.8551354676
HM5        -0.7724122040        4.0594868832        2.8850149983
HM6        -1.6491884595       -1.8082732189        1.7470304139
HM7         0.5216656594       -1.9409244971       -1.6422568996
HM8        -1.8545255823        0.5703083372       -0.1349590837
HM9         3.5919096549        1.0852459949        2.0521153383
HM10        3.1143174132       -0.4890346077        1.3992052942
HM11        1.8810674350        0.7053478009        1.8550042319
HM12        2.6177134485        2.2140650111        0.0205155043
HM13        3.9592230208        1.1414667867       -0.3482493820
HM14        2.3239532193       -0.6680191036       -1.0243234431
HM15        1.9882518750        2.0075827703       -2.4949532435
HM16        3.3518817971        0.9135592862       -2.6855605672
HM17        0.4434172697        0.2321780073       -3.3872852641
HM18        1.8177234235       -0.8822507964       -3.5320703981
HM19        1.7489898733        0.5785914492       -4.5279597577
HM20        0.6307021287       -0.9202265922        0.7881463705
           43
Energy of minimum      7=      -63.0699757677 first found at step      126
C82         1.6032586516        3.0413697589        0.3046312066
C81         1.5236062600        2.3486825420       -1.0728160262
C8          0.1064485178        1.8273080784       -1.4402734986
C9         -0.9275964207        2.9761913466       -1.5452375090
C91        -2.2690675292        2.4868354284       -2.1251975390
O7         -0.3574950550        0.8670800072       -0.4447368620
C6          0.1571335982       -0.4873065754       -0.5427527650
C7         -0.6355053675       -1.2279513325       -1.6058348961
C2         -1.1139930040       -2.4857625430       -1.4600743053
C1         -1.8707768928       -3.1853163561       -2.5582830492
O1B        -2.3054259490       -4.3114813108       -2.3783347733
O1A        -2.0587014333       -2.6263511522       -3.6272419654
C3         -0.8940406609       -3.2729361501       -0.1752770666
C4          0.2283491896       -2.6802337752        0.7099647913
N4          0.2443257000       -3.3621817652        2.0318101462
HAB        -0.6516240676       -3.2148493239        2.5053121597
HAA         0.3123604838       -4.3760506605        1.8979473807
C5          0.0296348338       -1.1477169447        0.8498782707
N5          0.9715600360       -0.5349712768        1.8128390015
HAD         1.9506929108       -0.5491741844        1.5778863430
C10         0.6279382865        0.0042398650        2.9984164459
C11         1.7853054670        0.5464520400        3.8124233202
O10        -0.5315776244        0.0497898276        3.3780449211
HM1        -1.8298959900       -3.2925210054        0.3892217618
HM2        -0.6387547718       -4.3114145362       -0.4006785901
HM3         2.3151746743        1.3202417331        3.2514643513
HM4         2.4933951426       -0.2530790524        4.0438421552
HM5         1.4317257571        0.9796694571        4.7513386893
HM6         1.1877319269       -2.8521785692        0.2045955652
HM7        -0.8007870136       -0.6871407884       -2.5351968940
HM8        -0.9963796810       -0.9777440967        1.1924655269
HM9         2.6368147016        3.3197468052        0.5216857083
HM10        1.2578968729        2.3782280642        1.0996091585
HM11        1.0013011068        3.9519552049        0.3236235454
HM12        1.8540783430        3.0531431301       -1.8400813752
HM13        2.2343401130        1.5195985372       -1.0924627393
HM14        0.1664268325        1.3385072742       -2.4172905635
HM15       -1.1056574230        3.4229523705       -0.5640929781
HM16       -0.5328837254        3.7617299262       -2.1945561883
HM17       -2.9654595494        3.3230330307       -2.2188578427
HM18       -2.7249614934        1.7353500107       -1.4766768696
HM19       -2.1239129898        2.0498865433       -3.1158822943
HM20        1.2149972358       -0.4656295822       -0.8251638584
           43
Energy of minimum      8=      -63.0028011974 first found at step      105
C82        -0.6489291125        0.4706764150       -4.1236527098
C81        -0.3407964513       -0.1794615301       -2.7600279232
C8          0.6775529732        0.6373358128       -1.9177724317
C9          2.0966578506        0.6200459505       -2.5425680655
C91         3.1052726233        1.4436236711       -1.7168258534
O7          0.7559282055        0.0581205524       -0.5824416951
C6         -0.2669235370        0.4573969435        0.3672411243
C7          0.1450464354        1.7793233711        0.9887071733
C2          0.0618664188        2.0549971752        2.3110707519
C1          0.4557989739        3.3946600617        2.8749076528
O1B         0.3866104825        3.5957138009        4.0767532998
O1A         0.8515199809        4.2804727059        2.1337917940
C3         -0.4540023803        1.0222080098        3.3040395209
C4         -1.2183149327       -0.1418410504        2.6289485403
N4         -1.4647023521       -1.2209082496        3.6202464738
HAB        -1.9633258457       -1.9873136314        3.1584399311
HAA        -2.1060159700       -0.8845368534        4.3458885119
C5         -0.4143000360       -0.6706663944        1.4148104528
N5         -1.0304732143       -1.8693323395        0.8009034114
HAD        -1.9865677489       -1.7945586179        0.4906297844
C10        -0.3868934633       -3.0251246903        0.5431738184
C11        -1.2152707683       -4.0676583728       -0.1792329153
O10         0.7729100830       -3.2105234685        0.8752535654
HM1         0.3944867319        0.6183393272        3.8622990855
HM2        -1.1187597653        1.4889758848        4.0349271880
HM3        -0.6339340656       -4.9770375772       -0.3506175195
HM4        -1.5495763487       -3.6821589267       -1.1456994633
HM5        -2.0984091081       -4.3259739134        0.4103392811
HM6        -2.1776247926        0.2430053404        2.2581422693
HM7         0.5136311168        2.5324055102        0.2951190404
HM8         0.5894224010       -0.9209200210        1.7740104455
HM9        -1.4407826917       -0.0845889760       -4.6312423654
HM10        0.2287253311        0.4687849416       -4.7726109930
HM11       -0.9858077970        1.5014917534       -3.9920160543
HM12       -1.2823673259       -0.2710974305       -2.2141502211
HM13        0.0349435834       -1.1934952311       -2.9200413020
HM14        0.3391254010        1.6757255572       -1.8445755956
HM15        2.4545803915       -0.4088877578       -2.6337166208
HM16        2.0638756765        1.0415919653       -3.5490375218
HM17        2.7646524304        2.4763911141       -1.6127102147
HM18        4.0778602629        1.4529718807       -2.2137839714
HM19        3.2389458754        1.0183879499       -0.7196820648
HM20       -1.2256355215        0.5834393371       -0.1472376146
           43
Energy of minimum      9=      -62.7610914336 first found at step       33
C82        -1.0408717003       -3.6826355935       -1.8113005249
C81        -0.9453615269       -2.3601941772       -1.0244902855
C8          0.4933246622       -2.0585926110       -0.5149722761
C9          1.0800729376       -3.1565263622        0.4139711702
C91         0.2303877353       -3.4408808359        1.6714686334
O7          0.4983396067       -0.7998604476        0.2206011545
C6          0.4938602676        0.4281747129       -0.5538223440
C7          1.9139616140        0.7293365459       -0.9974871641
C2          2.4758491598        1.9603453691       -0.9545764769
C1          3.8802237796        2.2154597460       -1.4341994164
O1B         4.3572302187        3.3362593345       -1.3580508392
O1A         4.5479233600        1.3017138260       -1.8922118107
C3          1.7060894327        3.1652169615       -0.4288364095
C4          0.1818884369        2.9149310341       -0.3349935865
N4         -0.4723166274        4.0256890905        0.4015814694
HAB        -1.4711118748        3.8118038149        0.4736873056
HAA        -0.1496882435        4.0130903879        1.3736165804
C5         -0.0850365003        1.5458563476        0.3422855375
N5         -1.5199110145        1.3043637952        0.6154434728
HAD        -2.0887698696        0.9671854735       -0.1457038180
C10        -2.1088555317        1.4246876379        1.8211748335
C11        -3.5759225703        1.0506119315        1.8571149221
O10        -1.4936236820        1.8113116120        2.8013937816
HM1         2.0918320391        3.4248751732        0.5602454083
HM2         1.8691560946        4.0356286684       -1.0691094771
HM3        -3.7085568615        0.0095415901        1.5522658366
HM4        -4.1452479350        1.6831605289        1.1715809202
HM5        -3.9843709416        1.1727946593        2.8633422271
HM6        -0.2209917704        2.8728911118       -1.3553950148
HM7         2.4804586830       -0.1172026044       -1.3800730598
HM8         0.4698633450        1.5218383572        1.2868836681
HM9        -0.8543141339       -4.5425487887       -1.1649765026
HM10       -0.3189480310       -3.6963841774       -2.6310766313
HM11       -2.0413017471       -3.7936568879       -2.2352968728
HM12       -1.2714848175       -1.5566516879       -1.6879193369
HM13       -1.6501876244       -2.3827116850       -0.1900424013
HM14        1.1589994426       -1.9678886254       -1.3786345366
HM15        1.2120121935       -4.0843552236       -0.1468893731
HM16        2.0799627990       -2.8488616273        0.7306011411
HM17        0.7397447439       -4.1682861254        2.3073174008
HM18       -0.7437995975       -3.8553719462        1.4049807509
HM19        0.0760024294       -2.5308312036        2.2553179807
HM20       -0.1465103801        0.3166729004       -1.4348160365
           43
Energy of minimum     10=      -62.7253740926 first found at step       51
C82         1.7214111759       -2.3763070271        1.4627334311
C81         2.4963745514       -1.8762807123        0.2275886825
C8          1.6410704538       -0.9339149515       -0.6584755874
C9          2.4091639968       -0.4773636918       -1.9296852232
C91         2.6332989635       -1.6226371872       -2.9375694757
O7          1.2872534147        0.2393452337        0.1324814550
C6          0.1428852686        1.0212571921       -0.3016138079
C7          0.5191186327        2.4744382036       -0.0916067024
C2         -0.2845071251        3.3991353374        0.4836242673
C1          0.1347941796        4.8367948531        0.6413047460
O1B        -0.6113840548        5.6346174111        1.1855929384
O1A         1.2250945583        5.2064018008        0.2348067324
C3         -1.6746219041        3.0333466881        0.9835961287
C4         -2.1908011566        1.7028219705        0.3883134040
N4         -3.4533943805        1.3039758432        1.0603117309
HAB        -3.2538879880        1.0903515993        2.0419037277
HAA        -3.7502150572        0.4055600834        0.6691364011
C5         -1.1029168752        0.6049416034        0.5211674308
N5         -1.6015684215       -0.7295536503        0.1172536824
HAD        -1.6997633751       -0.9132380072       -0.8699089200
C10        -1.9323382303       -1.7206775767        0.9688698733
C11        -2.3800167770       -3.0077487750        0.3089026399
O10        -1.8719977386       -1.5766478073        2.1784768163
HM1        -1.6512520624        2.9595221467        2.0737519482
HM2        -2.3934181823        3.8180685118        0.7352943095
HM3        -2.6260426919       -3.7643745377        1.0580389726
HM4        -1.5867296344       -3.3993414730       -0.3327392827
HM5        -3.2635820175       -2.8294865703       -0.3088821021
HM6        -2.3855569361        1.8596664251       -0.6806609642
HM7         1.5085763461        2.7512635239       -0.4522290596
HM8        -0.7917968719        0.5694283502        1.5712111186
HM9         1.4252394477       -1.5451910749        2.1065089266
HM10        0.8247203202       -2.9202121978        1.1582113243
HM11        2.3469931893       -3.0529164418        2.0490421227
HM12        3.4050957786       -1.3622315232        0.5516672422
HM13        2.8072976556       -2.7497830940       -0.3484292454
HM14        0.7304752770       -1.4622200783       -0.9547061373
HM15        1.8478699697        0.3086397591       -2.4395402031
HM16        3.3748676654       -0.0490344064       -1.6488681066
HM17        3.3034012944       -2.3835232987       -2.5334224686
HM18        3.0851226993       -1.2316797576       -3.8519082400
HM19        1.6844505597       -2.0953234284       -3.2015328563
HM20       -0.0487839179        0.8601107324       -1.3680116701
           43
Energy of minimum     11=      -62.6408162889 first found at step      432
C82        -2.8889318184       -1.0493721084        1.1816217917
C81        -2.1927601254       -0.1740696502        2.2413258463
C8         -0.6491363891       -0.3188271887        2.2063943474
C9          0.0321797258        0.3636976033        3.4215563402
C91        -0.1975528229        1.8884334950        3.5032923271
O7         -0.1257533980        0.2701065376        0.9797268486
C6          0.4008183994       -0.6438095164       -0.0176271125
C7          1.7553926563       -1.1529527382        0.4447557719
C2          2.8431378928       -1.2534007343       -0.3549771240
C1          4.1564301829       -1.7940738424        0.1457330269
O1B         5.1197628509       -1.8471693651       -0.6017854816
O1A         4.2640834357       -2.1729801719        1.3013096273
C3          2.7910161703       -0.8389960250       -1.8195568575
C4          1.3464165603       -0.6986013181       -2.3547545562
N4          1.3609163224       -0.0741301990       -3.7018689493
HAB         1.7071158103        0.8862004000       -3.6189495135
HAA         0.3905000881        0.0403330526       -4.0082651937
C5          0.4934541767        0.1245265464       -1.3559255635
N5         -0.8557930907        0.4400563078       -1.8768718015
HAD        -1.5455426999       -0.2948412645       -1.8589524994
C10        -1.2549170960        1.6518343823       -2.3099195153
C11        -2.7091421342        1.7351889984       -2.7244267861
O10        -0.4896546991        2.6007007437       -2.3631127995
HM1         3.3146077541        0.1133476004       -1.9350973220
HM2         3.3159814445       -1.5653798295       -2.4447664605
HM3        -3.3576680253        1.4781357265       -1.8831509291
HM4        -2.9117980433        1.0354810476       -3.5390039771
HM5        -2.9607616153        2.7437596088       -3.0616478708
HM6         0.9091482158       -1.7029981016       -2.4271435364
HM7         1.8150650735       -1.4610081506        1.4865435152
HM8         1.0272753544        1.0590747766       -1.1505376785
HM9        -2.6244410767       -0.7270484262        0.1731326271
HM10       -2.6061403351       -2.0979010079        1.3000423588
HM11       -3.9734592041       -0.9735909976        1.2864476425
HM12       -2.4826987779        0.8679504786        2.0865390217
HM13       -2.5588003890       -0.4697519527        3.2277223549
HM14       -0.3995180658       -1.3841385158        2.2437583843
HM15       -0.3308658153       -0.0989494010        4.3426779241
HM16        1.1071693779        0.1716593607        3.3796428921
HM17        0.1535694276        2.3884762020        2.5980380852
HM18        0.3522949789        2.3016553886        4.3517072411
HM19       -1.2545504398        2.1219092261        3.6452481031
HM20       -0.2864498370       -1.4885369781       -0.1388745496
           43
Energy of minimum     12=      -62.4392340604 first found at step       77
C82         0.3588321711        3.2497425258       -0.0563935119
C81        -0.9291044148        2.8989141112       -0.8257987986
C8         -0.8748109193        1.5161194793       -1.5286190542
C9         -2.1416145952        1.3274848238       -2.4007119584
C91        -2.1114433091        0.0174265044       -3.2121689566
O7         -0.8335651318        0.4470096264       -0.5359409727
C6          0.4593677575       -0.1493656668       -0.2434780824
C7          0.8298014039       -1.0996488739       -1.3696593155
C2          1.3415286709       -2.3387613406       -1.1832608930
C1          1.7217138270       -3.2290836407       -2.3369731484
O1B         2.1591401941       -4.3486758128       -2.1253304660
O1A         1.5870922578       -2.8378041470       -3.4854937075
C3          1.5838718983       -2.8919689094        0.2142055096
C4          1.5933796977       -1.7906364210        1.3007754541
N4          1.6311728177       -2.4107715887        2.6521537875
HAB         0.8075009054       -3.0053652714        2.7822125680
HAA         2.4312234752       -3.0483291610        2.7180849994
C5          0.3574424495       -0.8701231627        1.1236944390
N5          0.2205127405        0.1047347396        2.2281042228
HAD         1.0566783973        0.5746352837        2.5353011518
C10        -0.9287876240        0.4085301526        2.8614948817
C11        -0.8058506958        1.4821918217        3.9234185279
O10        -1.9818492848       -0.1504813619        2.5995009481
HM1         0.8044928904       -3.6232102752        0.4437272633
HM2         2.5384093520       -3.4224577205        0.2569440429
HM3        -0.0938131259        1.1750135373        4.6934168381
HM4        -1.7712503214        1.6721267061        4.3990346839
HM5        -0.4484706211        2.4146514553        3.4793297750
HM6         2.4945212648       -1.1795080358        1.1596042727
HM7         0.6768815130       -0.7211642271       -2.3775897465
HM8        -0.5321520123       -1.5081100438        1.0942143935
HM9         0.3057590087        4.2767079769        0.3116538945
HM10        1.2331894153        3.1642961393       -0.7056827983
HM11        0.4928955344        2.5940067689        0.8049484939
HM12       -1.7809311074        2.9380167264       -0.1416319694
HM13       -1.0912586678        3.6727829108       -1.5804185550
HM14        0.0067311345        1.4709557474       -2.1760273316
HM15       -3.0354084809        1.3437371470       -1.7712058404
HM16       -2.2261368157        2.1630820159       -3.1002155598
HM17       -2.0870698047       -0.8529741973       -2.5528472477
HM18       -1.2350979304       -0.0116575848       -3.8635579544
HM19       -3.0036763621       -0.0564950845       -3.8377933747
HM20        1.2201524478        0.6344263271       -0.1710209049
           43
Energy of minimum     13=      -62.3814038732 first found at step       67
C82         2.8882829353       -0.5079117131       -2.9522544055
C81         1.6665370042       -0.1553574427       -2.0804340082
C8          1.2520323225       -1.3077559809       -1.1203230919
C9          0.8974728032       -2.6369665676       -1.8420285029
C91        -0.2396173899       -2.5099569529       -2.8789659328
O7          0.0926789880       -0.8983027580       -0.3370464567
C6          0.3285310115       -0.0153953557        0.7912176199
C7          0.7403658367       -0.8574305773        1.9845754521
C2          0.2616840002       -0.6815553807        3.2382438847
C1          0.7252094757       -1.5247886443        4.3965988073
O1B         0.2528871593       -1.3483935226        5.5080727115
O1A         1.5681495541       -2.3914327318        4.2264326106
C3         -0.7674323085        0.3971523867        3.5489010912
C4         -0.8817831156        1.4679929868        2.4373439861
N4         -2.0686754591        2.3258589143        2.6884047006
HAB        -1.9289173564        2.8674786210        3.5475509198
HAA        -2.1370357293        3.0237172584        1.9416658091
C5         -0.9693699119        0.7845657551        1.0497869274
N5         -1.2089395570        1.7489589854       -0.0483614109
HAD        -0.5582557438        2.5122328585       -0.1484112030
C10        -2.1737717911        1.6341390566       -0.9824625915
C11        -2.1445476661        2.6967145632       -2.0618155976
O10        -3.0064958615        0.7424024461       -0.9497568647
HM1        -1.7414174852       -0.0782967919        3.6904010842
HM2        -0.5243892129        0.9026949482        4.4866395775
HM3        -2.2531976360        3.6901148882       -1.6195464987
HM4        -2.9547161010        2.5455350396       -2.7794971092
HM5        -1.1937700060        2.6635162216       -2.5997280420
HM6         0.0273985307        2.0835981086        2.4548921507
HM7         1.4782830246       -1.6316338608        1.7839655053
HM8        -1.7965882626        0.0682727334        1.0918512617
HM9         2.6536006677       -1.3063362673       -3.6589568805
HM10        3.7274453404       -0.8258810647       -2.3292798451
HM11        3.2017006866        0.3662628270       -3.5271915542
HM12        1.9225378166        0.7306847500       -1.4959098650
HM13        0.8302614641        0.1260599371       -2.7247864587
HM14        2.0838709604       -1.5140856594       -0.4397695545
HM15        1.7861853834       -3.0400244289       -2.3325678600
HM16        0.6045855664       -3.3755424544       -1.0913728207
HM17       -0.4784775694       -3.4930322827       -3.2905356905
HM18        0.0522260630       -1.8632252555       -3.7086859070
HM19       -1.1453022309       -2.1057691320       -2.4215776633
HM20        1.1307737993        0.6911215394        0.5547217152
           43
Energy of minimum     14=      -62.3405990031 first found at step        3
C82         2.8638445325       -0.3869246947       -1.5758696055
C81         3.1112542865        0.6670661187       -0.4803165590
C8          1.7965346975        1.2023392200        0.1415758261
C9          2.1370240524        2.3477956087        1.1350338479
C91         0.9048685496        3.0823858325        1.6973761098
O7          1.1419005960        0.0955337495        0.8331147767
C6         -0.3095173936        0.0835435625        0.9092927837
C7         -0.6394836430       -0.4966642882        2.2710492794
C2         -1.5572162600       -1.4656660412        2.4934228848
C1         -1.8556316482       -1.9847475384        3.8751690545
O1B        -2.6758798113       -2.8752141088        4.0295951577
O1A        -1.2709476212       -1.5248514048        4.8432855901
C3         -2.3598500933       -2.0629865050        1.3483800602
C4         -2.3508940846       -1.1629852195        0.0921310890
N4         -3.0130045587       -1.8672699212       -1.0347649938
HAB        -2.9736842739       -1.2568824501       -1.8553591229
HAA        -2.4387702905       -2.6716343589       -1.3036242672
C5         -0.8943631448       -0.7535933943       -0.2594566558
N5         -0.8227198396       -0.0183401398       -1.5431537339
HAD        -1.0491984743        0.9646793364       -1.5329686032
C10        -0.5014296380       -0.5675798436       -2.7316910263
C11        -0.4909048081        0.3960785662       -3.8996004073
O10        -0.2429851713       -1.7542821110       -2.8428706808
HM1        -1.9488727876       -3.0442019947        1.0979584270
HM2        -3.3993623977       -2.2211507045        1.6458372389
HM3        -0.2055576695       -0.1142020445       -4.8228527646
HM4         0.2200150498        1.2055655416       -3.7162714103
HM5        -1.4819533767        0.8355194896       -4.0367443350
HM6        -2.9134843818       -0.2492002990        0.3239666924
HM7        -0.0780546362       -0.0704046146        3.1008772193
HM8        -0.2943482646       -1.6675207263       -0.3334762119
HM9         3.8160189654       -0.7391492121       -1.9785758552
HM10        2.2878144654        0.0440210338       -2.3967911520
HM11        2.3233279200       -1.2488987115       -1.1789217160
HM12        3.7435747779        0.2356383936        0.3003416048
HM13        3.6687553208        1.4964158308       -0.9230493895
HM14        1.1586365695        1.5848724958       -0.6603359104
HM15        2.7334507849        1.9577913967        1.9640510527
HM16        2.7565761947        3.0863415756        0.6199020523
HM17        1.2218058378        3.9598429144        2.2653609054
HM18        0.3372066314        2.4390244279        2.3717247294
HM19        0.2505375860        3.4175592764        0.8893558343
HM20       -0.7050325498        1.1023359558        0.8578921843
           43
Energy of minimum     15=      -62.3200125234 first found at step      123
C82        -0.4869210334       -3.1370441851        0.2319874807
C81        -1.7147018941       -2.4314687065        0.8399940592
C8         -1.3810095422       -1.0171188789        1.3835170866
C9         -2.6154490538       -0.3304787767        2.0220351617
C91        -3.0446086048       -0.9851358494        3.3503986776
O7         -0.9270773109       -0.1725240793        0.2852026430
C6          0.4601626053        0.2574838087        0.3152407622
C7          0.6305556406        1.3152753280        1.3931902147
C2          1.3310479472        2.4622799229        1.2302123095
C1          1.4948239830        3.4639928131        2.3427341242
O1B         2.1153884213        4.4967757305        2.1481455383
O1A         1.0010942614        3.2507107085        3.4387300858
C3          2.0126788948        2.7935877408       -0.0905412489
C4          2.1617439120        1.5627052638       -1.0151581527
N4          2.6205001780        1.9900786033       -2.3612330948
HAB         1.8898361630        2.5616013365       -2.7953697037
HAA         2.6695589906        1.1591740008       -2.9578125373
C5          0.8168060702        0.7956313979       -1.0901260052
N5          0.8376344106       -0.2995669103       -2.0858757746
HAD         1.3174224781       -1.1495004277       -1.8333929637
C10         0.2104955503       -0.2745545696       -3.2781300714
C11         0.3254756422       -1.5492315129       -4.0877957274
O10        -0.3967604276        0.7103016682       -3.6655559066
HM1         1.4321749390        3.5645677009       -0.6034361698
HM2         3.0076655678        3.2108121299        0.0827628033
HM3         1.3748473204       -1.7740635853       -4.2938720854
HM4        -0.2032921772       -1.4550245822       -5.0395170601
HM5        -0.1021657342       -2.3889759867       -3.5343464244
HM6         2.9109655075        0.8921482002       -0.5743829938
HM7         0.1595552951        1.0977666523        2.3494882667
HM8         0.0366874877        1.5150361519       -1.3629517833
HM9        -0.1312403380       -2.6104325894       -0.6549833240
HM10        0.3269854415       -3.1899373746        0.9587521396
HM11       -0.7483100645       -4.1554806392       -0.0636514916
HM12       -2.5051648845       -2.3668032274        0.0877210096
HM13       -2.0921297749       -3.0573284502        1.6508687171
HM14       -0.5932748084       -1.1003548800        2.1394258335
HM15       -2.3795185667        0.7179224049        2.2215629143
HM16       -3.4560048523       -0.3436717067        1.3231692321
HM17       -3.4057037724       -2.0031508080        3.1931837861
HM18       -3.8535910734       -0.4097604602        3.8058839995
HM19       -2.2091080164       -1.0143645018        4.0535948024
HM20        1.1019252220       -0.6018788745        0.5403308713
           43
Energy of minimum     16=      -62.2580383864 first found at step      238
C82        -3.0174735833        1.9890858118        0.1957481373
C81        -1.7478296702        2.7263155524       -0.2764576923
C8         -0.4917070223        1.8171010564       -0.2361646080
C9          0.7893669368        2.5678633847       -0.6977405252
C91         1.1655099456        3.7461447422        0.2231953274
O7         -0.7486391696        0.6652618694       -1.0989413570
C6          0.1829691616       -0.4539795642       -1.1561348632
C7         -0.3457857734       -1.3230634677       -2.2825343555
C2         -0.6255050819       -2.6427326612       -2.1813068777
C1         -1.1353145983       -3.4457703346       -3.3491606166
O1B        -1.3962660834       -4.6299767933       -3.2111365236
O1A        -1.3018782308       -2.9119392240       -4.4344990869
C3         -0.3915480537       -3.3888354772       -0.8792407877
C4          0.6578539872       -2.6791997388        0.0024414963
N4          0.7932363436       -3.3936240064        1.2972524031
HAB         1.4678181962       -2.8816281849        1.8724275613
HAA        -0.0854010874       -3.3134291456        1.8171538745
C5          0.2664640442       -1.1915317522        0.2126474933
N5          1.2185857801       -0.5201933876        1.1291995757
HAD         2.1238185761       -0.2706214088        0.7589956832
C10         0.9779519506       -0.2276965812        2.4228253526
C11         2.1149961496        0.4628320563        3.1453201788
O10        -0.0855242983       -0.4987525488        2.9539153621
HM1        -1.3354296268       -3.4729354884       -0.3349447502
HM2        -0.0417798601       -4.4062986184       -1.0696523439
HM3         2.3661224379        1.4016164248        2.6455140785
HM4         3.0039481883       -0.1726474499        3.1466850652
HM5         1.8422776494        0.6823280296        4.1805166833
HM6         1.6198776328       -2.7058923826       -0.5257972374
HM7        -0.5010639196       -0.8016573664       -3.2257945743
HM8        -0.7386596970       -1.1723356644        0.6485356320
HM9        -3.8656051156        2.6770895768        0.2133279847
HM10       -2.8789286591        1.5916365678        1.2039011252
HM11       -3.2669293857        1.1628657847       -0.4736293829
HM12       -1.9025956222        3.1085154960       -1.2888697192
HM13       -1.6036099655        3.5884207925        0.3773415828
HM14       -0.3625980872        1.4781179848        0.7930511457
HM15        1.6378281833        1.8815821408       -0.7034875728
HM16        0.6614415227        2.9337765163       -1.7196996573
HM17        2.1376567216        4.1505031556       -0.0673432350
HM18        1.2297332599        3.4180798821        1.2631995247
HM19        0.4354372969        4.5546358637        0.1536390565
HM20        1.1771786269       -0.0990314422       -1.4442985570
           43
Energy of minimum     17=      -62.1701820975 first found at step      249
C82        -2.7673504947        1.8622220373        0.4080829479
C81        -2.4258188850        1.7397600322       -1.0897043838
C8         -1.0268927710        1.1125801659       -1.3255406943
C9         -0.6730722633        1.0483313506       -2.8379662208
C91        -0.4230005748        2.4396427167       -3.4541021343
O7         -1.0318604988       -0.2383581896       -0.7740445567
C6          0.2551113726       -0.8564701875       -0.5046098870
C7          0.1427543136       -2.2949647224       -0.9674393048
C2          0.5770376018       -3.3630599142       -0.2593700504
C1          0.4639883542       -4.7702396396       -0.7834658753
O1B         0.8491510070       -5.7080522870       -0.1039504809
O1A        -0.0206151211       -4.9781953486       -1.8846169321
C3          1.2265131099       -3.1920724610        1.1061677923
C4          1.7040320702       -1.7443115984        1.3688312211
N4          2.1217023866       -1.6070642668        2.7879328767
HAB         2.9519732686       -2.1824518412        2.9616741953
HAA         2.4265036664       -0.6429213483        2.9489587144
C5          0.5804106498       -0.7381320787        1.0064289230
N5          0.9317887026        0.6528293215        1.3748814540
HAD         1.6661934121        1.1031489544        0.8505420374
C10         0.3496836331        1.3637305052        2.3616100485
C11         0.8760273731        2.7745685569        2.5246590941
O10        -0.5356274115        0.8997094664        3.0610296260
HM1         0.5069971674       -3.4791702626        1.8772401239
HM2         2.0851846237       -3.8596495099        1.2110914784
HM3         0.7290611696        3.3419917619        1.6022437068
HM4         1.9453428864        2.7569151323        2.7492464947
HM5         0.3588405691        3.2920735117        3.3364347057
HM6         2.5620754307       -1.5398863613        0.7147689221
HM7        -0.3140666105       -2.4305597506       -1.9465187179
HM8        -0.3166942699       -1.0415739570        1.5563007464
HM9        -2.7927810912        0.8818468046        0.8887465996
HM10       -2.0302424436        2.4851989050        0.9191172582
HM11       -3.7485350695        2.3257709873        0.5318837492
HM12       -3.1924631568        1.1418183572       -1.5895162174
HM13       -2.4638752742        2.7407163298       -1.5233578779
HM14       -0.2784189230        1.7144677854       -0.8018322885
HM15        0.2315291046        0.4544774599       -2.9845371837
HM16       -1.4746727617        0.5485943772       -3.3880804356
HM17       -0.0805892022        2.3344175128       -4.4859426545
HM18        0.3451119299        2.9772843954       -2.8934168380
HM19       -1.3341025541        3.0405100435       -3.4649620564
HM20        1.0436655742       -0.3654727463       -1.0848979254
           43
Energy of minimum     18=      -62.0126172489 first found at step        2
C82        -3.0612251172       -0.6836486679        1.0129004716
C81        -2.1505556572       -1.7082058080        0.3034649893
C8         -0.7230562638       -1.8191336980        0.9150435508
C9         -0.7066884905       -2.2028604234        2.4185629040
C91        -1.3545855443       -3.5737839919        2.6976773310
O7         -0.0169487065       -0.5504007720        0.7755770406
C6          0.5677109091       -0.2559463192       -0.5214102771
C7          1.9007798249       -0.9765576100       -0.6234027960
C2          3.0348740917       -0.4143450018       -1.1031778149
C1          4.3253200511       -1.1835123056       -1.2091284214
O1B         5.3314109170       -0.6331141724       -1.6266402608
O1A         4.3712825286       -2.3553900670       -0.8699457588
C3          3.0614024913        1.0309193442       -1.5821143147
C4          1.6484524627        1.6054217381       -1.8433583243
N4          1.7344132892        3.0690303273       -2.0940375250
HAB         2.3944706115        3.2515010753       -2.8568224692
HAA         2.1378616601        3.5356743717       -1.2765500461
C5          0.7197800005        1.2786681356       -0.6445202732
N5         -0.6024203809        1.9341037629       -0.7556709619
HAD        -1.1341292187        1.7653260726       -1.5942298106
C10        -1.1384033618        2.7644271783        0.1595214189
C11        -2.5099384179        3.3030069207       -0.1937869401
O10        -0.5542058583        3.0568883040        1.1907434527
HM1         3.5682941999        1.6408666041       -0.8298454713
HM2         3.6417097821        1.1189591812       -2.5040360524
HM3        -2.8904910194        3.9503192969        0.6002022079
HM4        -3.2152520310        2.4809175300       -0.3386965885
HM5        -2.4632636895        3.8804081280       -1.1203987224
HM6         1.2383621934        1.1107914235       -2.7336336516
HM7         1.9046709799       -2.0128880906       -0.2920468475
HM8         1.2203938819        1.6280422288        0.2645255761
HM9        -3.2829888489       -0.9949862144        2.0355274178
HM10       -2.5949887631        0.3026689749        1.0416351195
HM11       -4.0093019169       -0.5951064572        0.4779736058
HM12       -2.6350313890       -2.6866983400        0.3232072733
HM13       -2.0748075633       -1.4355631376       -0.7512338348
HM14       -0.1740240054       -2.5921746758        0.3690051982
HM15        0.3317803556       -2.2430023772        2.7574514040
HM16       -1.2040281348       -1.4370973118        3.0184755384
HM17       -2.4262559954       -3.5540805299        2.4898757266
HM18       -1.2218988260       -3.8430268347        3.7478461104
HM19       -0.8924647832       -4.3510002541        2.0846689269
HM20       -0.0960162473       -0.6054175376       -1.3191981013
           43
Energy of minimum     19=      -61.9911844908 first found at step        7
C82         0.5521676541        2.6092691115       -1.6392899206
C81         1.9164054715        1.9907699646       -1.2771508875
C8          1.8587954009        1.1287375978        0.0121090420
C9          3.2499003769        0.5655236005        0.4006085485
C91         4.2165257399        1.6538951463        0.9091935311
O7          0.9709170197       -0.0080813535       -0.2029915370
C6         -0.2869363998       -0.0094273345        0.5241670409
C7         -0.0132721419       -0.3249409609        1.9853153910
C2         -0.7424496209       -1.1910724083        2.7267706521
C1         -0.4466690296       -1.4439160417        4.1816727428
O1B        -1.1145845928       -2.2495235188        4.8097900018
O1A         0.4654237661       -0.8503748081        4.7351183887
C3         -1.9206302161       -1.9476700040        2.1295459023
C4         -2.4220301919       -1.3368185911        0.7996300236
N4         -3.3946147772       -2.2611045347        0.1609506320
HAB        -4.2371819799       -2.3317195705        0.7406509107
HAA        -3.7121079867       -1.8499589549       -0.7218076147
C5         -1.2220501709       -1.0505841847       -0.1378950283
N5         -1.6487706080       -0.5958782152       -1.4811886572
HAD        -2.2502160467        0.2114055335       -1.5306081085
C10        -1.2385531772       -1.1329967354       -2.6474354323
C11        -1.7592403770       -0.4362328679       -3.8878618748
O10        -0.5086049774       -2.1102277635       -2.6911740003
HM1        -1.6211644431       -2.9848019613        1.9581307353
HM2        -2.7580498835       -1.9730008833        2.8310154708
HM3        -1.3954005288       -0.9287899102       -4.7930067823
HM4        -1.4301398427        0.6057061326       -3.9038760003
HM5        -2.8518908014       -0.4501614666       -3.9004404192
HM6        -2.9143135047       -0.3806047053        1.0213916243
HM7         0.8203625004        0.2084340124        2.4372613351
HM8        -0.6577279347       -1.9840673177       -0.2340591235
HM9         0.6565421987        3.2656430918       -2.5060130794
HM10        0.1637211238        3.2007882932       -0.8070493620
HM11       -0.1757484221        1.8361249900       -1.8890342065
HM12        2.2754873126        1.3876926944       -2.1152105168
HM13        2.6268922476        2.8083530470       -1.1418315675
HM14        1.4852854573        1.7424312289        0.8383075295
HM15        3.1270893441       -0.1756871106        1.1945884589
HM16        3.6993965039        0.0515237249       -0.4531756637
HM17        5.1438964569        1.1953191048        1.2594436633
HM18        3.7731922151        2.2050829426        1.7416903444
HM19        4.4714493981        2.3607842512        0.1175397798
HM20       -0.7511025325        0.9801567346        0.4462080333
           43
Energy of minimum     20=      -61.8378467844 first found at step      237
C82         1.8514981259       -3.1015600276        0.5998043661
C81         0.7996749717       -3.1406984780       -0.5273810505
C8          0.0041347832       -1.8134479761       -0.6340962803
C9         -1.0701192113       -1.8638916593       -1.7571394226
C91        -2.1703621219       -2.9116431715       -1.4935298933
O7          0.9617772545       -0.7384939261       -0.8864680941
C6          0.5407608912        0.6566594067       -0.8846755661
C7          1.7665803122        1.4163404613       -1.3574083696
C2          2.3574974783        2.4327524230       -0.6892615766
C1          3.5671633075        3.1504729585       -1.2282588267
O1B         4.0431197178        2.8265203566       -2.3049265179
O1A         4.0834403621        4.0500510921       -0.5850649973
C3          1.7879389875        2.9273743387        0.6282143170
C4          0.2827419479        2.6090183180        0.7529743528
N4         -0.2056179096        3.0385873151        2.0884978633
HAB        -0.1513103145        4.0592364025        2.1647418491
HAA        -1.2029633447        2.8185796557        2.1593224103
C5          0.0283349215        1.0953923768        0.5202931170
N5         -1.4091933287        0.7724120033        0.6894170314
HAD        -2.0472408490        1.1163414333       -0.0124190792
C10        -1.9406238037        0.0861841174        1.7212023200
C11        -3.4446467047       -0.0816190037        1.6677344538
O10        -1.2502022100       -0.3743243313        2.6147913751
HM1         2.3305293889        2.4624156480        1.4551502496
HM2         1.9175545636        4.0074237111        0.7293299934
HM3        -3.9353139115        0.8947134226        1.6795825358
HM4        -3.8026315220       -0.6612509457        2.5221948758
HM5        -3.7353248322       -0.5997141716        0.7504432458
HM6        -0.2520184081        3.1657354767       -0.0279960462
HM7         2.1714029835        1.0796373055       -2.3105109381
HM8         0.6177306195        0.5532987702        1.2673330311
HM9         1.3796435770       -2.8731144752        1.5582856126
HM10        2.6173736086       -2.3489432654        0.3999824402
HM11        2.3457965418       -4.0718172301        0.6849720237
HM12        1.2913276021       -3.3615976428       -1.4784302953
HM13        0.1180184387       -3.9663717682       -0.3151723152
HM14       -0.4839017152       -1.6436553864        0.3263436991
HM15       -1.5643382905       -0.8946144865       -1.8408951934
HM16       -0.5962723799       -2.0704259480       -2.7201911421
HM17       -2.9631249036       -2.8150169985       -2.2386277507
HM18       -2.6121638589       -2.7668098536       -0.5049556969
HM19       -1.7764603792       -3.9276098817       -1.5575329699
HM20       -0.2502103858        0.8074736340       -1.6256691413
           43
Energy of minimum     21=      -61.7935430352 first found at step     1615
C82        -0.3345877753        0.1111644959       -4.2847391672
C81         0.4026885121        0.7416246290       -3.0862680592
C8         -0.2972632631        0.4711206213       -1.7279215495
C9         -1.7363811847        1.0594301569       -1.6348728439
C91        -1.7937385602        2.5980876351       -1.7396236754
O7          0.5721241209        1.0109874366       -0.6847699390
C6          0.2618604917        0.8018396268        0.7235121464
C7          1.2032167292        1.7367922661        1.4601614316
C2          2.0289415286        1.3729836953        2.4681331532
C1          2.9263144408        2.3615794709        3.1652292731
O1B         3.6727145138        1.9889559610        4.0560440465
O1A         2.9198008955        3.5363737043        2.8328570385
C3          2.0559998956       -0.0591836972        2.9739288949
C4          0.7492523895       -0.8095623859        2.6386447334
N4          0.8606283226       -2.2282127958        3.0633462898
HAB         1.5808971825       -2.6898660950        2.5004006119
HAA        -0.0043157156       -2.7070436074        2.7975223885
C5          0.4361271262       -0.6925123535        1.1224457242
N5         -0.7598417930       -1.4915913168        0.7652468416
HAD        -1.6626974511       -1.1172934605        1.0170371039
C10        -0.7382949122       -2.6841568657        0.1372441231
C11        -2.0987113435       -3.2952005489       -0.1227950824
O10         0.3077851876       -3.2142150942       -0.1967292524
HM1         2.9063453913       -0.5831715702        2.5305105702
HM2         2.1944950716       -0.0874034912        4.0573972847
HM3        -2.6278986401       -3.4565424185        0.8195665630
HM4        -2.0027309876       -4.2547851286       -0.6367949770
HM5        -2.7005794733       -2.6268322674       -0.7436248797
HM6        -0.0693431888       -0.3312994359        3.1921830847
HM7         1.1807358061        2.7698778430        1.1167083544
HM8         1.3063783218       -1.0703587308        0.5741463979
HM9        -0.5008980445       -0.9556566464       -4.1183517441
HM10       -1.2983519841        0.5947776432       -4.4553774582
HM11        0.2619395639        0.2262208064       -5.1924159568
HM12        1.4101893905        0.3190825307       -3.0494983445
HM13        0.5175258261        1.8148309317       -3.2547084595
HM14       -0.3563913822       -0.6123722751       -1.6111974327
HM15       -2.3622294544        0.6274535842       -2.4180104215
HM16       -2.1967771286        0.7518832608       -0.6939418478
HM17       -1.1835335400        3.0677152417       -0.9651665365
HM18       -2.8229457028        2.9409248274       -1.6129792295
HM19       -1.4453950504        2.9404562175       -2.7159164033
HM20       -0.7630541322        1.1230975992        0.9334372044
           43
Energy of minimum     22=      -61.7474415881 first found at step        1
C82         2.9759741253       -1.7706530243       -1.8484231539
C81         2.0833335083       -0.5293214308       -2.0619416979
C8          1.6603431754        0.1843783092       -0.7489450884
C9          2.8507093101        0.6581846284        0.1325512547
C91         3.7790322834        1.6506028029       -0.5956425018
O7          0.8216597803       -0.7314705746        0.0152580248
C6         -0.1025962202       -0.1513358634        0.9734187006
C7         -0.1043538321       -1.0740955129        2.1758179765
C2         -1.2193662868       -1.5039895510        2.8114503795
C1         -1.1558260788       -2.3998155868        4.0202311651
O1B        -2.1856313390       -2.7833984713        4.5512000091
O1A        -0.0757138222       -2.7529176418        4.4666301640
C3         -2.6056752758       -1.0817612089        2.3458308979
C4         -2.5741998052        0.1599921866        1.4247725487
N4         -3.9195209905        0.3918757184        0.8398923708
HAB        -4.1634626293       -0.3980180490        0.2353513994
HAA        -3.8553431789        1.1868477728        0.1972701267
C5         -1.5024541523       -0.0248653789        0.3202298752
N5         -1.5416889429        1.0639138084       -0.6828252965
HAD        -1.2940383690        1.9921567437       -0.3741686576
C10        -1.8590386832        0.9073402184       -1.9836404677
C11        -1.7744570890        2.1681551672       -2.8178249921
O10        -2.1898619625       -0.1739025460       -2.4410634848
HM1        -3.0701510639       -1.9166570408        1.8151367953
HM2        -3.2478314340       -0.8542590971        3.2002180584
HM3        -2.4502660310        2.9304288643       -2.4223757352
HM4        -2.0471478133        1.9667985904       -3.8567381342
HM5        -0.7574857680        2.5677380258       -2.7967569296
HM6        -2.2889445447        1.0291033606        2.0318157152
HM7         0.8812946021       -1.3784130368        2.5245262508
HM8        -1.7049378034       -0.9803270252       -0.1762339518
HM9         3.9378777505       -1.4952507535       -1.4116369103
HM10        3.1717327226       -2.2567287580       -2.8066994585
HM11        2.4888501122       -2.4968622617       -1.1940816232
HM12        2.6012530942        0.1759666132       -2.7155356103
HM13        1.1821852866       -0.8351811881       -2.5995470352
HM14        1.0675040341        1.0587620318       -1.0303240481
HM15        2.4642361636        1.1565756125        1.0242975225
HM16        3.4350004101       -0.1970477953        0.4798872408
HM17        4.2975294541        1.1699303413       -1.4275997430
HM18        4.5348537919        2.0309765314        0.0950163401
HM19        3.2096639272        2.4997934394       -0.9805143630
HM20        0.2469595843        0.8367510294        1.2917160671
           43
Energy of minimum     23=      -61.7219573894 first found at step      329
C82         1.5818734856       -0.1281355173        3.8214481406
C81         0.3277953883       -0.6724376506        3.1038892149
C8          0.4657911440       -0.7536940259        1.5588384933
C9          1.6536353313       -1.6363230825        1.0757202441
C91         1.5841106301       -3.0828513638        1.6049296705
O7          0.5871091824        0.6136758920        1.0572251066
C6          0.6044311642        0.8883898709       -0.3738529293
C7          0.9632327958        2.3599768495       -0.4693592889
C2          0.2603855547        3.2887950139       -1.1574495559
C1          0.6866141037        4.7320650394       -1.2200054050
O1B         0.0129306130        5.5436546935       -1.8339865723
O1A         1.7002098863        5.0976728654       -0.6458857469
C3         -0.9814915317        2.9012027850       -1.9415579007
C4         -0.9815448629        1.4012982827       -2.3061485068
N4         -2.2526930449        1.0493064458       -2.9885300348
HAB        -3.0282196582        1.1607019790       -2.3290283865
HAA        -2.2387011010        0.0447218932       -3.1852728041
C5         -0.7615830564        0.5386158060       -1.0342006650
N5         -0.8533460101       -0.9059263055       -1.3532887359
HAD        -0.0678504656       -1.3291600004       -1.8249922804
C10        -1.9051543258       -1.6999762948       -1.0704759334
C11        -1.7466706553       -3.1456430059       -1.4907901149
O10        -2.8993607770       -1.2715238022       -0.5095258764
HM1        -1.8704995608        3.1377081776       -1.3516526412
HM2        -1.0524814103        3.4751697590       -2.8685852825
HM3        -0.8755707531       -3.5882390319       -1.0012631868
HM4        -1.6024427054       -3.2120447559       -2.5719357608
HM5        -2.6306622793       -3.7287058906       -1.2210064563
HM6        -0.1427929569        1.2174944581       -2.9902160356
HM7         1.8613432441        2.6463741624        0.0757327016
HM8        -1.5429851026        0.8057081962       -0.3139537119
HM9         2.4336352152       -0.7987999247        3.6927451908
HM10        1.8535661411        0.8593623469        3.4421321503
HM11        1.3872609282       -0.0373390382        4.8923163798
HM12        0.0828197014       -1.6575368895        3.5068294152
HM13       -0.5205999862       -0.0272676686        3.3462623896
HM14       -0.4651034886       -1.1831903913        1.1843394217
HM15        1.6459192670       -1.6918398515       -0.0143292418
HM16        2.6071181020       -1.1878479730        1.3641988543
HM17        1.7249270623       -3.1169401267        2.6870177112
HM18        2.3706284357       -3.6863307607        1.1465193001
HM19        0.6203981890       -3.5361609949        1.3615256847
HM20        1.4040181666        0.3160198299       -0.8543770152
           43
Energy of minimum     24=      -61.7018483747 first found at step      136
C82        -1.0741566165        0.3607980365       -3.8157781815
C81        -0.7233411830       -0.6362050137       -2.6932840269
C8          0.5143944494       -0.2013187558       -1.8680385990
C9          1.8310302182       -0.3437242451       -2.6779883213
C91         3.0707220873        0.1287092340       -1.8934632219
O7          0.5708622959       -1.0547543859       -0.6870465617
C6          0.7903568175       -0.4157317762        0.5995113366
C7          1.5025394286       -1.4477517408        1.4525095893
C2          1.1609178729       -1.7674221711        2.7223323202
C1          1.9259772917       -2.7868336869        3.5244790851
O1B         1.5717342910       -3.0627511315        4.6593582490
O1A         2.8954405020       -3.3481461294        3.0390132452
C3         -0.0076737984       -1.0858255220        3.4174295332
C4         -0.4065534364        0.2423826799        2.7355325863
N4         -1.6534017940        0.7686924881        3.3468322818
HAB        -1.9118644228        1.6265640878        2.8513195103
HAA        -2.4225275883        0.1242914539        3.1416755374
C5         -0.5677994144        0.0292033468        1.2071950211
N5         -1.1039170642        1.2371136623        0.5378668219
HAD        -0.4818973756        2.0233974758        0.4236454668
C10        -2.3635691062        1.3710840237        0.0763252569
C11        -2.6605828597        2.6950033758       -0.5956299786
O10        -3.1926243386        0.4853136663        0.2008751023
HM1        -0.8639165843       -1.7649482029        3.4231551696
HM2         0.2339740858       -0.8720928623        4.4614542884
HM3        -2.5320755577        3.5163624018        0.1135334013
HM4        -3.6855654730        2.7184725274       -0.9738657538
HM5        -1.9778043954        2.8566138853       -1.4332783188
HM6         0.4050975934        0.9645275323        2.8934792656
HM7         2.3473824736       -1.9377420049        0.9712036568
HM8        -1.2657255359       -0.8026997080        1.0608655149
HM9        -0.2909517954        0.3953213422       -4.5752733397
HM10       -1.2129152723        1.3655466722       -3.4106187104
HM11       -2.0028051560        0.0598083313       -4.3056346250
HM12       -1.5871372430       -0.7167217492       -2.0291234934
HM13       -0.5579711250       -1.6264352993       -3.1259059787
HM14        0.3877657472        0.8431337146       -1.5704171250
HM15        1.9711412163       -1.3838154058       -2.9837593647
HM16        1.7665891267        0.2527745413       -3.5899954899
HM17        3.9562273181        0.0853557768       -2.5313972927
HM18        3.2515495676       -0.5064700882       -1.0241524130
HM19        2.9435865802        1.1596469298       -1.5551843923
HM20        1.4494881729        0.4512726931        0.4802429483
           43
Energy of minimum     25=      -61.6797603109 first found at step       68
C82        -1.9276373029       -0.5657988591        3.7107186184
C81        -0.6260526090       -0.2851151794        2.9338068784
C8         -0.6423173095       -0.8685580279        1.4962333715
C9         -0.7804184161       -2.4181052667        1.4390916364
C91         0.3540591280       -3.1783661684        2.1582610389
O7          0.5870608453       -0.4479373981        0.8340044833
C6          0.5838260670       -0.4202541484       -0.6181834024
C7          1.9367448239       -0.9402134701       -1.0601464322
C2          2.7015197353       -0.3676690053       -2.0183965511
C1          4.0270622022       -0.9472719717       -2.4364252001
O1B         4.6964185280       -0.3880822308       -3.2901728347
O1A         4.4401203240       -1.9722628722       -1.9174253577
C3          2.2470305067        0.8911913899       -2.7428818604
C4          0.7311871638        1.1604773008       -2.5918386407
N4          0.4096478026        2.5106752796       -3.1223246071
HAB        -0.5941811573        2.6797738503       -3.0098235604
HAA         0.5722504522        2.5328588132       -4.1342453564
C5          0.3111646056        1.0264751020       -1.1057293743
N5         -1.1011342466        1.4161554871       -0.8861937411
HAD        -1.8089224250        0.9157487312       -1.4018932831
C10        -1.5167742011        2.3721893055       -0.0309986191
C11        -3.0191863885        2.5471285949        0.0472561484
O10        -0.7349989061        3.0380895915        0.6276213384
HM1         2.8050290112        1.7446939313       -2.3493576837
HM2         2.4780060044        0.8275367616       -3.8089794200
HM3        -3.2830689428        3.3384009095        0.7533258124
HM4        -3.4914439300        1.6177250735        0.3752689097
HM5        -3.4224385516        2.8085445614       -0.9341966991
HM6         0.1858187719        0.4005041909       -3.1670307781
HM7         2.2713418594       -1.8445721789       -0.5545103172
HM8         0.9626807308        1.6909220891       -0.5284565532
HM9        -1.9092794901       -0.0457250942        4.6709958972
HM10       -2.0465612536       -1.6326588864        3.9099078419
HM11       -2.7959816789       -0.2144676256        3.1485067613
HM12       -0.4967539052        0.7982799633        2.8703983339
HM13        0.2255456144       -0.6709365376        3.4988710608
HM14       -1.4949788326       -0.4296383637        0.9712661056
HM15       -1.7379385780       -2.7178784324        1.8699971398
HM16       -0.8094072843       -2.7413519037        0.3962266379
HM17        0.3450755979       -2.9784786919        3.2314620183
HM18        1.3304198503       -2.8981586838        1.7572115907
HM19        0.2271401362       -4.2541018269        2.0184067450
HM20       -0.1896743517       -1.0897681036       -1.0096280962
           43
Energy of minimum     26=      -61.6564516228 first found at step       38
C82         0.2794261733       -2.9219548917       -1.3802698448
C81        -0.6835047311       -3.0070404920       -0.1804058582
C8         -0.2876446731       -2.0455604638        0.9713223593
C9         -1.0922344292       -2.3239024804        2.2683936640
C91        -2.6176762853       -2.1334740769        2.1222800589
O7         -0.5125156975       -0.6629635189        0.5657190454
C6          0.6629726219        0.1353171013        0.2676177316
C7          1.3174982912        0.5459148296        1.5756470622
C2          1.7883613804        1.7887379577        1.8321959467
C1          2.4559259091        2.1377675680        3.1362194453
O1B         2.8467167010        3.2766056220        3.3359410486
O1A         2.6010716494        1.2865437705        3.9992362765
C3          1.6836288414        2.9033229994        0.8000125330
C4          1.3859154038        2.3781048079       -0.6248818785
N4          1.0843944122        3.5165463790       -1.5332859950
HAB         1.8531379288        4.1942025237       -1.5058391902
HAA         0.2679736587        4.0282657386       -1.1861257605
C5          0.2195355868        1.3565302083       -0.5746833181
N5         -0.2202854437        0.9380593559       -1.9238831993
HAD         0.4970937943        0.7281857565       -2.5989382590
C10        -1.5010869068        0.8218284279       -2.3245320746
C11        -1.6816181345        0.3213537788       -3.7431734193
O10        -2.4376956251        1.1094158374       -1.5964630567
HM1         0.8922405996        3.5924601523        1.1060377779
HM2         2.6104146227        3.4814682611        0.7646145372
HM3        -2.7414278083        0.2588973846       -4.0023736914
HM4        -1.2384095723       -0.6714829116       -3.8537117629
HM5        -1.1906191172        0.9957152321       -4.4491529848
HM6         2.2795664050        1.8542443754       -0.9887950089
HM7         1.4078876434       -0.2370285194        2.3258922543
HM8        -0.6185371379        1.8307907504       -0.0531476896
HM9         0.0092184238       -3.6677927466       -2.1310245433
HM10        1.3079346532       -3.1114902353       -1.0646286852
HM11        0.2330667937       -1.9388129467       -1.8512546284
HM12       -1.6985043437       -2.7941106159       -0.5245429067
HM13       -0.6770448622       -4.0342816969        0.1926999549
HM14        0.7714889441       -2.1969338919        1.2036599550
HM15       -0.8936415738       -3.3458666855        2.6008520988
HM16       -0.7289643376       -1.6634136519        3.0597608391
HM17       -2.8582791584       -1.1209294483        1.7911677380
HM18       -3.1061143564       -2.2983291314        3.0851756314
HM19       -3.0383256753       -2.8448847600        1.4089000584
HM20        1.3686594321       -0.4600256531       -0.3222322612
           43
Energy of minimum     27=      -61.6336624647 first found at step      127
C82         1.9217542907        2.6870404325       -1.8205339731
C81         1.4508702702        1.2184471488       -1.8970028783
C8         -0.0276530866        1.0020461350       -1.4715934457
C9         -1.0036722443        1.7723017929       -2.3962600791
C91        -2.4685597719        1.3558141718       -2.1584459400
O7         -0.2793591311        1.4283877057       -0.0910228666
C6          0.1656079509        0.6363247377        1.0552693025
C7          1.6433384993        0.8432004367        1.3161063708
C2          2.4659135050       -0.1230161903        1.7877133496
C1          3.9222737318        0.1344872753        2.0703005271
O1B         4.6342003576       -0.7707570108        2.4744207179
O1A         4.3964256650        1.2450281974        1.8908142886
C3          1.9527956484       -1.5288602011        2.0789639847
C4          0.4072845334       -1.6137761903        2.1416713512
N4         -0.0248872110       -3.0337581889        2.1763576721
HAB         0.2273793929       -3.4833774423        1.2914353165
HAA        -1.0488307080       -3.0549479084        2.1816519004
C5         -0.2059401085       -0.8627827399        0.9326751556
N5         -1.6705756338       -1.0398371085        0.8185997890
HAD        -2.2549609469       -0.5034083490        1.4421058975
C10        -2.2855542651       -1.8179828171       -0.0928824250
C11        -3.7985006681       -1.7966839364       -0.0395949229
O10        -1.6535259683       -2.4821845084       -0.8971943457
HM1         2.3209449138       -2.2045508798        1.3028063532
HM2         2.3517109498       -1.8942502562        3.0284472109
HM3        -4.1479764040       -2.1472116396        0.9346104276
HM4        -4.2241914680       -2.4393827189       -0.8141258885
HM5        -4.1684451676       -0.7795139168       -0.1902369039
HM6         0.0731195534       -1.1126585365        3.0595690860
HM7         2.0185483420        1.8465402029        1.1275540806
HM8         0.2825793634       -1.2632480838        0.0397481276
HM9         1.3894521934        3.3076999832       -2.5440797807
HM10        1.7637416822        3.1042275542       -0.8245363160
HM11        2.9878751310        2.7482551488       -2.0495060772
HM12        1.5751887656        0.8692320749       -2.9250270941
HM13        2.1064706496        0.5919331293       -1.2902233550
HM14       -0.2607971208       -0.0589885166       -1.5814955385
HM15       -0.9092551593        2.8495353328       -2.2390215197
HM16       -0.7514036128        1.5718990661       -3.4405991656
HM17       -2.5997246267        0.2876076532       -2.3445780483
HM18       -3.1291508401        1.9031619886       -2.8343891301
HM19       -2.7766113291        1.5714980433       -1.1329419982
HM20       -0.3678999175        1.0365089286        1.9244707826
           43
Energy of minimum     28=      -61.5886227195 first found at step      140
C82         1.2689873297       -0.8689872251       -2.9540264310
C81         2.4059133670       -0.3605977031       -2.0459050502
C8          1.8696654509        0.3108281275       -0.7548819295
C9          3.0202009682        0.8714256786        0.1266689353
C91         3.7208047246        2.0900743162       -0.5072133603
O7          1.1267428741       -0.6878832612        0.0059950104
C6          0.1756012877       -0.2049872470        0.9921670232
C7          0.3162340964       -1.1113430602        2.1986278813
C2         -0.7238578919       -1.6415992018        2.8831405929
C1         -0.5230991684       -2.5157777513        4.0927876563
O1B        -1.4880531893       -2.9917175055        4.6688308862
O1A         0.6038261350       -2.7587384648        4.4946871339
C3         -2.1627090143       -1.3600297009        2.4740066106
C4         -2.2900495157       -0.1321791237        1.5411271911
N4         -3.6833066250       -0.0284751193        1.0308525695
HAB        -4.3423116539       -0.0382865804        1.8156195177
HAA        -3.9097541253       -0.8609947696        0.4792835160
C5         -1.2525220172       -0.2373182264        0.3902134776
N5         -1.4375539026        0.8159189745       -0.6326649563
HAD        -1.2133111742        1.7629732156       -0.3721851746
C10        -1.9725629786        0.6200185292       -1.8538427334
C11        -2.0991258840        1.8686962867       -2.7021168531
O10        -2.3158931375       -0.4854071991       -2.2413141744
HM1        -2.5657651814       -2.2428663703        1.9709851446
HM2        -2.7851529016       -1.1857476250        3.3552693791
HM3        -2.7389959038        2.6019606459       -2.2050562869
HM4        -2.5319767998        1.6344894291       -3.6778437848
HM5        -1.1166927871        2.3214104704       -2.8580519130
HM6        -2.0552089047        0.7660301785        2.1271629654
HM7         1.3407491428       -1.3144757469        2.5065990003
HM8        -1.3784972981       -1.2182884410       -0.0800354091
HM9         0.6700569018       -1.6296711591       -2.4485509279
HM10        0.6148108814       -0.0448760085       -3.2466799968
HM11        1.6842223659       -1.3125302377       -3.8616439101
HM12        3.0657526159       -1.1932240726       -1.7881897492
HM13        2.9977450053        0.3545699616       -2.6201259989
HM14        1.1977635264        1.1266615125       -1.0367958520
HM15        2.6268195681        1.1825263316        1.0968350656
HM16        3.7592259330        0.0890570883        0.3181510976
HM17        4.2532268171        1.8138760478       -1.4191015606
HM18        4.4496943753        2.5064223401        0.1916304143
HM19        2.9949433944        2.8703294935       -0.7475245808
HM20        0.4234132932        0.8187331729        1.2931095640
           43
Energy of minimum     29=      -61.5267329802 first found at step       65
C82         1.5949318114       -1.0846166406        3.0325334165
C81         1.9210523844       -1.5592255777        1.6014662279
C8          0.6654415414       -2.0909157478        0.8511799655
C9          1.0007861613       -3.3370412612       -0.0097549607
C91         2.0253588918       -3.0627835401       -1.1333090216
O7          0.0970977527       -1.0863713024       -0.0467605041
C6         -0.4165023230        0.1644162433        0.4854145639
C7         -1.6817046878       -0.0937008050        1.2868403158
C2         -2.8024675652        0.6609528507        1.1999375926
C1         -4.0194499304        0.3847573661        2.0429115881
O1B        -5.0171539936        1.0769678270        1.9204948705
O1A        -4.0158755904       -0.5377629105        2.8425766022
C3         -2.8843070948        1.8525672630        0.2550106786
C4         -1.4964535454        2.3210737799       -0.2421806352
N4         -1.6555348233        3.3282068591       -1.3214040375
HAB        -0.7214177824        3.5900266490       -1.6490754872
HAA        -2.0811112555        2.8754987258       -2.1356585508
C5         -0.6729608165        1.0975487843       -0.7199671066
N5          0.6029736694        1.4753486743       -1.3693168253
HAD         1.3872489916        1.6823574922       -0.7703904368
C10         0.8214927119        1.4830310551       -2.6987733067
C11         2.2356175839        1.8323774931       -3.1131542549
O10        -0.0652617710        1.2290489048       -3.4975291391
HM1        -3.5044430971        1.5808391824       -0.6029330779
HM2        -3.3740438599        2.6988701612        0.7429028095
HM3         2.5023452289        2.8276654474       -2.7491927886
HM4         2.3364340876        1.8215253145       -4.2012586761
HM5         2.9420683421        1.1130059442       -2.6915313688
HM6        -0.9662057344        2.7789351447        0.6030908382
HM7        -1.6434918627       -0.9276037398        1.9832202027
HM8        -1.2864157847        0.5374018815       -1.4345587726
HM9         1.1895305174       -1.9087061874        3.6241017797
HM10        0.8681209772       -0.2717479672        3.0351071575
HM11        2.5028029646       -0.7286971231        3.5244919753
HM12        2.3888129117       -0.7483536427        1.0369612946
HM13        2.6663817984       -2.3539363963        1.6873859743
HM14       -0.0894447139       -2.3984097104        1.5799987272
HM15        1.3849236872       -4.1295092981        0.6375134252
HM16        0.0797680617       -3.7197954885       -0.4568534584
HM17        2.2073976926       -3.9773794316       -1.7018507539
HM18        2.9802229845       -2.7252238256       -0.7252124859
HM19        1.6556143591       -2.3036638723       -1.8261404441
HM20        0.3378211189        0.6330214248        1.1236660871
           43
Energy of minimum     30=      -61.4382452848 first found at step      212
C82        -0.2443027361       -1.1961815064        3.7618332242
C81        -1.1733848875       -0.5261955449        2.7267782145
C8         -0.9241175162       -0.9766287278        1.2612107627
C9         -1.0600181515       -2.5093192821        1.0335551700
C91        -2.4568488495       -3.0489899689        1.4004611051
O7          0.4120255631       -0.5402708554        0.8722411178
C6          0.6743053456       -0.3800777045       -0.5472913707
C7          2.0730460849       -0.9115721026       -0.7864798298
C2          3.0149233033       -0.2834783981       -1.5276413498
C1          4.3809412790       -0.8755333378       -1.7539568749
O1B         5.2094725462       -0.2666657407       -2.4115363295
O1A         4.6668317980       -1.9610883433       -1.2739035744
C3          2.7313809458        1.0555144807       -2.1930014988
C4          1.2201991992        1.3695384845       -2.2961675481
N4          1.0325165599        2.7748386579       -2.7408275869
HAB         0.0292170100        2.9723287331       -2.7982615565
HAA         1.3813024339        2.8844700759       -3.6985561730
C5          0.5281219650        1.1148345201       -0.9326510648
N5         -0.8918547377        1.5368450890       -0.9390927234
HAD        -1.5019906865        1.1117531711       -1.6205032134
C10        -1.4377499317        2.4323285673       -0.0916937980
C11        -2.9229738763        2.6627082684       -0.2789086721
O10        -0.7781450305        3.0062333673        0.7591880240
HM1         3.2247053597        1.8449282712       -1.6201622812
HM2         3.1555346811        1.0838107734       -3.1996080771
HM3        -3.2965007576        3.3985825845        0.4375073916
HM4        -3.4717089255        1.7286048891       -0.1349487466
HM5        -3.1260183294        3.0270404588       -1.2889786505
HM6         0.7749649305        0.6885167407       -3.0336023722
HM7         2.2871566662       -1.8725836976       -0.3214135314
HM8         1.0744013331        1.6973080617       -0.1833114575
HM9        -0.4304834126       -0.7782191461        4.7535679533
HM10        0.8059494161       -1.0263269019        3.5149559967
HM11       -0.4223229023       -2.2720033253        3.8147667989
HM12       -2.2128100416       -0.7194866132        3.0008515066
HM13       -1.0405610588        0.5568351856        2.7879506054
HM14       -1.6597484665       -0.4661740231        0.6336374231
HM15       -0.8820892080       -2.7361985967       -0.0199039711
HM16       -0.3009946654       -3.0505837645        1.6031083795
HM17       -3.2351452887       -2.4990405212        0.8663779466
HM18       -2.6433052241       -2.9679292170        2.4731633882
HM19       -2.5340907638       -4.1033467824        1.1260035716
HM20       -0.0298309728       -0.9791262792       -1.1347563285
           43
Energy of minimum     31=      -61.3507799886 first found at step      766
C82         1.2740045630       -4.0299347376        0.9453702914
C81         0.7697090489       -3.1326354366       -0.2026056435
C8          0.1184724653       -1.8146189570        0.2942033783
C9         -1.1432614447       -2.0326499844        1.1809561119
C91        -2.3124247218       -2.7256976164        0.4499029913
O7         -0.1872836664       -1.0155057261       -0.8901153228
C6         -0.6893042092        0.3457717360       -0.7565416437
C7         -1.1568380450        0.7126281409       -2.1527561494
C2         -0.7631846072        1.8075278817       -2.8420641772
C1         -1.2827740712        2.1156463062       -4.2218912887
O1B        -0.8871115400        3.1036460693       -4.8192322112
O1A        -2.0922118584        1.3715195822       -4.7526991128
C3          0.1996314033        2.8072474048       -2.2262379614
C4          0.1735755729        2.7526412867       -0.6836108405
N4          1.1996826713        3.6779151044       -0.1376970824
HAB         1.1740665066        3.6298671475        0.8846638196
HAA         0.9494158503        4.6453211429       -0.3657977349
C5          0.4045735940        1.2991230185       -0.1897696547
N5          0.4493454099        1.2467827585        1.2913843345
HAD        -0.4106394900        1.4236523985        1.7883650369
C10         1.5525201684        1.0163106425        2.0315783752
C11         1.3326564246        1.0460815734        3.5295419822
O10         2.6363076932        0.7858206071        1.5218754831
HM1         1.2120070412        2.6006734963       -2.5824209959
HM2        -0.0449557943        3.8261265892       -2.5355381654
HM3         2.2644599928        0.8456129224        4.0641538820
HM4         0.5969619971        0.2914026661        3.8187435736
HM5         0.9584399011        2.0252593042        3.8383090616
HM6        -0.8216403084        3.0702531831       -0.3452472991
HM7        -1.8605707615        0.0101975079       -2.5966255182
HM8         1.3663941951        0.9710877724       -0.5980325702
HM9         1.9390695391       -3.4717616976        1.6083751248
HM10        0.4430983696       -4.4255334989        1.5326741089
HM11        1.8296022000       -4.8782257096        0.5395743650
HM12        1.6249356921       -2.8820203064       -0.8356460845
HM13        0.0721375845       -3.6976430920       -0.8251029235
HM14        0.8715024913       -1.2916118181        0.8850944292
HM15       -0.8774343727       -2.6208989686        2.0612259094
HM16       -1.4882878612       -1.0721139840        1.5685532246
HM17       -2.6128404632       -2.1605739628       -0.4350056703
HM18       -3.1761405957       -2.7968855336        1.1145636462
HM19       -2.0419754721       -3.7381364796        0.1440706237
HM20       -1.5636910925        0.3583312664       -0.0985417028
           43
Energy of minimum     32=      -61.3292775325 first found at step      178
C82        -0.3444917934        3.6984977721       -0.5897306153
C81         0.6762124488        2.5667329982       -0.3414442179
C8          0.4280934161        1.2886175146       -1.1892174525
C9          0.5233117464        1.5860410377       -2.7070623821
C91         0.5487273747        0.2936594816       -3.5467813204
O7         -0.8825875486        0.6855268719       -0.9257567510
C6         -1.1612503636       -0.0482814094        0.3086101597
C7         -1.4461753746        0.9071900113        1.4489069189
C2         -1.0899405175        0.6744058042        2.7334654887
C1         -1.4274375232        1.6343007671        3.8434669712
O1B        -1.0688822581        1.3964364211        4.9856249367
O1A        -2.0547002444        2.6541201437        3.6049452485
C3         -0.3407859687       -0.5918631493        3.1300326751
C4         -0.3883808419       -1.6974204981        2.0459384008
N4          0.5641589030       -2.7820862608        2.3950431276
HAB         0.5254285913       -3.5011518157        1.6667900002
HAA         0.2539356361       -3.2530403141        3.2510749115
C5         -0.0647863352       -1.0875645788        0.6586226748
N5          0.0569677303       -2.1067933212       -0.4081523105
HAD        -0.7855718912       -2.5778610165       -0.7001703420
C10         1.1978131342       -2.4234699039       -1.0516372840
C11         1.0515740460       -3.4754992164       -2.1312332041
O10         2.2610508672       -1.8898024982       -0.7813343101
HM1         0.7017075838       -0.3327933081        3.3321015777
HM2        -0.7475633697       -1.0044119192        4.0565004346
HM3         0.6747650498       -4.4078325899       -1.7035381382
HM4         2.0122882967       -3.6765636072       -2.6116853883
HM5         0.3455962047       -3.1388720492       -2.8945107506
HM6        -1.4080058168       -2.1034290560        2.0084177160
HM7        -1.9953703863        1.8070900191        1.1815598236
HM8         0.8869901536       -0.5626729455        0.7756256867
HM9        -0.1616022044        4.5229643534        0.1027964039
HM10       -1.3682894446        3.3510032313       -0.4417115964
HM11       -0.2558115219        4.0904356575       -1.6049322368
HM12        1.6752046598        2.9481975595       -0.5666618889
HM13        0.6896624402        2.3111751410        0.7192231656
HM14        1.2176457919        0.5716360965       -0.9573795225
HM15       -0.3193729921        2.2029277936       -3.0286701810
HM16        1.4367688808        2.1502165201       -2.9113897576
HM17        1.4078814824       -0.3238980318       -3.2765098625
HM18        0.6254979128        0.5374408694       -4.6086428986
HM19       -0.3618811108       -0.2906199564       -3.3968550812
HM20       -2.0883948436       -0.6026886193        0.1262611707
           43
Energy of minimum     33=      -61.2899915087 first found at step      330
C82        -3.6716054018       -0.9862314336        1.6979937842
C81        -2.3957771422       -0.2420855340        2.1477946078
C8         -1.5124587309        0.2683076761        0.9764973743
C9         -2.2501492524        1.2318507085        0.0013571103
C91        -2.8305149328        2.4739483373        0.7067210051
O7         -0.9961967351       -0.9035313586        0.2725274969
C6         -0.0254674904       -0.7611624485       -0.8049784640
C7          0.0740972371       -2.1515065711       -1.4050153122
C2          1.2218125475       -2.8478856056       -1.5683719297
C1          1.2450244108       -4.2212150210       -2.1866883899
O1B         0.2073853964       -4.7398787625       -2.5674331889
O1A         2.2994823007       -4.8255545897       -2.2979826599
C3          2.5573108125       -2.2457099498       -1.1693832649
C4          2.5087390409       -0.7028071991       -1.1598400179
N4          3.8080852045       -0.1690864627       -0.6763676458
HAB         3.7609115953        0.8536256600       -0.6711633712
HAA         4.5476681934       -0.3988219157       -1.3477534531
C5          1.3316261765       -0.2037193049       -0.2793699803
N5          1.3142231123        1.2776973863       -0.2152490650
HAD         1.0669166094        1.7752588647       -1.0573349692
C10         1.6283484987        2.0175214941        0.8672290945
C11         1.5485291915        3.5154575935        0.6600744221
O10         1.9349300659        1.5075512001        1.9318313089
HM1         2.8362379415       -2.6092197423       -0.1771674094
HM2         3.3473057445       -2.5577020618       -1.8565132250
HM3         0.5370529067        3.8025766415        0.3618734254
HM4         2.2390998677        3.8264296889       -0.1276723072
HM5         1.8047879592        4.0499389562        1.5781650449
HM6         2.3318837409       -0.3582328887       -2.1873659979
HM7        -0.8770726185       -2.5851310869       -1.7098717029
HM8         1.4864501738       -0.6133835350        0.7243985283
HM9        -4.3496160754       -0.3199411368        1.1611315087
HM10       -3.4257765380       -1.8309894597        1.0508485033
HM11       -4.2038377064       -1.3719851632        2.5702343981
HM12       -2.6761928296        0.5937893674        2.7923562547
HM13       -1.7993521580       -0.9155513545        2.7686732447
HM14       -0.6743901421        0.8013338114        1.4274913021
HM15       -1.5504810068        1.5901217959       -0.7558571877
HM16       -3.0485628962        0.7059977486       -0.5273022501
HM17       -3.6405582360        2.2023424168        1.3863948956
HM18       -3.2338547709        3.1690239705       -0.0329545433
HM19       -2.0541819872        2.9921730224        1.2744220533
HM20       -0.4218620772       -0.0936137543       -1.5763790273
           43
Energy of minimum     34=      -61.2582820331 first found at step     2040
C82        -2.0961926532       -2.2535544359        1.8905540179
C81        -2.1292179596       -0.8158373098        2.4467840991
C8         -1.0911567720        0.1018345816        1.7546401064
C9         -1.0842670869        1.5113772969        2.4117003446
C91         0.3436171433        2.0565137492        2.6155415512
O7         -1.4543017337        0.1870034768        0.3416150071
C6         -0.5385067893        0.7806016301       -0.6190078785
C7         -1.4114144071        1.1447742159       -1.8054838588
C2         -1.1633037817        0.7957389430       -3.0889200579
C1         -2.0670350186        1.2096518467       -4.2204738580
O1B        -1.8200153389        0.8556431128       -5.3620493688
O1A        -3.0561302882        1.8901075159       -3.9983461595
C3          0.0737409919       -0.0073270975       -3.4545767085
C4          1.1765633882        0.1102943976       -2.3803950527
N4          2.3108304924       -0.7849117762       -2.7235072717
HAB         1.9948508220       -1.7579836412       -2.6782103324
HAA         3.0076769505       -0.7155131027       -1.9766563426
C5          0.5971618904       -0.2193450022       -0.9789478952
N5          1.6639778531       -0.2347632851        0.0487835915
HAD         2.0642539891        0.6513807473        0.3184707978
C10         2.1592472830       -1.3425867974        0.6361872610
C11         3.2436679989       -1.0913907866        1.6622891610
O10         1.7504230871       -2.4563730213        0.3553132728
HM1        -0.2034487738       -1.0564898242       -3.5838634740
HM2         0.4903133943        0.3310521500       -4.4063573008
HM3         3.5942593938       -2.0310297781        2.0963103085
HM4         2.8630922566       -0.4574773317        2.4670054677
HM5         4.0932612290       -0.5836847323        1.1991072327
HM6         1.5290802582        1.1498761379       -2.3661134306
HM7        -2.2941715114        1.7326291567       -1.5587541443
HM8         0.1359307209       -1.2114503207       -1.0389752612
HM9        -2.3669164732       -2.2729962862        0.8325642166
HM10       -1.0996759219       -2.6867611098        2.0031685366
HM11       -2.8054164837       -2.8822306330        2.4334308257
HM12       -3.1341993564       -0.4010733919        2.3312203292
HM13       -1.9170863498       -0.8583428898        3.5182159588
HM14       -0.1126741924       -0.3675548522        1.8691927817
HM15       -1.6659798890        2.2157096694        1.8113447623
HM16       -1.5631502625        1.4702398438        3.3933454100
HM17        0.9245753127        1.3807749752        3.2474978277
HM18        0.3051149587        3.0314126313        3.1064948705
HM19        0.8673421809        2.1774267753        1.6669547920
HM20       -0.1147205515        1.7046345525       -0.2170941351
           43
Energy of minimum     35=      -61.2238430699 first found at step      110
C82        -2.2482176827       -1.5486922939        2.8177411837
C81        -1.7022385978       -0.1440961792        2.4810330655
C8         -1.7455530349        0.2133702639        0.9716582249
C9         -3.1989837976        0.2267813922        0.4247183261
C91        -3.3086654853        0.8431710055       -0.9832142590
O7         -0.9340639353       -0.7536094061        0.2395444822
C6         -0.0919242656       -0.2518573523       -0.8326404720
C7         -0.0829857807       -1.3282800792       -1.8996032385
C2          1.0261262437       -1.7661091025       -2.5390216224
C1          0.9673269605       -2.8213997629       -3.6117380113
O1B         1.9940543513       -3.2039333117       -4.1494498964
O1A        -0.1049845565       -3.3036351302       -3.9407030900
C3          2.3985956883       -1.1934518062       -2.2178323472
C4          2.3256735312        0.1573808819       -1.4682568197
N4          3.6830339156        0.5420339025       -1.0022662497
HAB         4.2851496215        0.7326386492       -1.8095899167
HAA         3.6185633038        1.4326417848       -0.5011046978
C5          1.3265681233        0.0587419783       -0.2859303737
N5          1.3328853200        1.2801476865        0.5523834383
HAD         0.9930413075        2.1337524166        0.1365097879
C10         1.7604899970        1.3410511518        1.8297600611
C11         1.6383910864        2.7049410186        2.4769745390
O10         2.2063980947        0.3663328612        2.4126203763
HM1         2.9478696254       -1.9148453743       -1.6074601416
HM2         2.9788697361       -1.0462250477       -3.1319248531
HM3         2.0027134683        2.6815454219        3.5070212212
HM4         0.5941455268        3.0272501096        2.4854391245
HM5         2.2201950229        3.4429874024        1.9193086729
HM6         1.9491385558        0.9186241435       -2.1643453354
HM7        -1.0595478736       -1.7429037652       -2.1443273509
HM8         1.6320793966       -0.7982816331        0.3234295690
HM9        -2.1365257896       -1.7437151856        3.8865734885
HM10       -1.7028540819       -2.3237056328        2.2748740944
HM11       -3.3091365755       -1.6298433351        2.5732352219
HM12       -2.2717009563        0.6008508566        3.0423779523
HM13       -0.6709805554       -0.0753375641        2.8336100724
HM14       -1.3196771463        1.2148863435        0.8623675743
HM15       -3.6067982858       -0.7865968927        0.3999892564
HM16       -3.8279878714        0.8107083020        1.1014001756
HM17       -2.8014951291        0.2222762731       -1.7239170789
HM18       -2.8715682929        1.8441546781       -1.0029644904
HM19       -4.3580479612        0.9230750351       -1.2754017242
HM20       -0.5273712213        0.6571752961       -1.2608779395
           43
Energy of minimum     36=      -61.1557301485 first found at step      267
C82        -0.6933888237       -1.1712354580       -3.0586603380
C81         0.2938428085       -0.0060236469       -3.2577182959
C8          0.4588577775        0.8620122672       -1.9843736662
C9          1.3650204462        2.0798991619       -2.3182546717
C91         1.4631690289        3.1234530034       -1.1888489673
O7          1.0658535644        0.0323259045       -0.9470305114
C6          0.7443018509        0.3158714506        0.4419805190
C7          2.0273424716        0.0825479479        1.2158036567
C2          2.1103758217       -0.6105806989        2.3748469413
C1          3.4126228190       -0.7892044391        3.1097603516
O1B         3.4470152098       -1.4399863533        4.1416586940
O1A         4.4383994785       -0.2933113156        2.6711448456
C3          0.8740385818       -1.2267272439        3.0115873487
C4         -0.4375448078       -0.6092667706        2.4731897019
N4         -1.6040957534       -1.3543931149        3.0172238112
HAB        -1.5311636852       -1.4189620477        4.0372088500
HAA        -1.5795280432       -2.3216263086        2.6819348989
C5         -0.4149245906       -0.5993857662        0.9184047741
N5         -1.7135566600       -0.1777075732        0.3477231065
HAD        -1.9430217472        0.8025372309        0.3840242899
C10        -2.6649314275       -1.0188277632       -0.1043578839
C11        -3.9441360890       -0.3477319291       -0.5609308065
O10        -2.4938124639       -2.2267106121       -0.1508105453
HM1         0.8758047424       -2.3033020186        2.8222802221
HM2         0.8944543896       -1.0948133904        4.0962902890
HM3        -4.6603035341       -1.0854495449       -0.9312262424
HM4        -3.7333535183        0.3640246516       -1.3630283927
HM5        -4.4032640010        0.1968721896        0.2677763767
HM6        -0.4880104817        0.4320233244        2.8175149714
HM7         2.9186112345        0.5262854671        0.7750415211
HM8        -0.1869646908       -1.6152279384        0.5784703256
HM9        -0.3569443751       -1.8408067016       -2.2642328838
HM10       -0.7774346242       -1.7524399996       -3.9795381460
HM11       -1.6853573354       -0.7921935886       -2.8054917089
HM12        1.2646745422       -0.4030858573       -3.5663203784
HM13       -0.0733978974        0.6167301274       -4.0774556367
HM14       -0.5283057195        1.2103128869       -1.6665601888
HM15        2.3693487349        1.7370955647       -2.5807711108
HM16        0.9629705154        2.5846851641       -3.2004192319
HM17        0.4688347516        3.4265920766       -0.8529950656
HM18        1.9870907749        4.0120657641       -1.5478247189
HM19        2.0223323698        2.7311640494       -0.3378493982
HM20        0.4484783548        1.3625018483        0.5608332939
           43
Energy of minimum     37=      -61.1115364374 first found at step      360
C82        -2.2211050768       -2.5564892475        2.5823081971
C81        -0.8348641357       -1.8916892921        2.4686915529
C8         -0.5750384061       -1.2634125693        1.0736539947
C9         -0.5970163244       -2.2868710958       -0.0959507961
C91         0.4826639140       -3.3850245651        0.0047470508
O7          0.7273054406       -0.6029188867        1.1208591574
C6          0.8180330280        0.8072882025        0.7670096657
C7         -0.0992004321        1.6211527981        1.6604166319
C2         -0.8157436449        2.6862978485        1.2322708828
C1         -1.6916581510        3.4869323075        2.1589690538
O1B        -2.3365979296        4.4287089609        1.7271197094
O1A        -1.7679908796        3.1898182303        3.3405585178
C3         -0.7519864535        3.1475798627       -0.2182859096
C4          0.4594629761        2.5624188452       -0.9848037227
N4          0.3506064040        2.8883898190       -2.4285269381
HAB         1.1555420889        2.4736693939       -2.9061076305
HAA        -0.4469611515        2.3801844200       -2.8218407271
C5          0.5446469429        1.0312518935       -0.7420879370
N5          1.5841816752        0.3670911081       -1.5598564915
HAD         2.5083337309        0.2917444833       -1.1626558135
C10         1.3735595040       -0.2263646554       -2.7512323273
C11         2.5840221835       -0.9134784347       -3.3473336584
O10         0.2827949945       -0.2021176898       -3.2968401329
HM1        -1.6762962895        2.8558611413       -0.7233203447
HM2        -0.6938978446        4.2374838058       -0.2724280349
HM3         2.9415975066       -1.6984501492       -2.6763037823
HM4         3.3934806250       -0.1944239756       -3.4953524186
HM5         2.3395647575       -1.3654595529       -4.3117900552
HM6         1.3717176246        3.0219073332       -0.5822471158
HM7        -0.1402356319        1.3063898831        2.7019122160
HM8        -0.4317280382        0.6005102286       -0.9845277945
HM9        -2.3974275244       -2.8793040634        3.6107272403
HM10       -2.2915759563       -3.4358759947        1.9391493796
HM11       -3.0101361761       -1.8538154842        2.3046869413
HM12       -0.7738309714       -1.1049925088        3.2247559513
HM13       -0.0607241767       -2.6227278834        2.7128614585
HM14       -1.3578196777       -0.5210985429        0.8905504494
HM15       -1.5803861801       -2.7571691346       -0.1577051850
HM16       -0.4633933615       -1.7541342259       -1.0377927624
HM17        0.4394639735       -4.0298511984       -0.8757011450
HM18        0.3281992934       -4.0113551403        0.8854136771
HM19        1.4828417928       -2.9491016471        0.0545063591
HM20        1.8475959577        1.1214453724        0.9715226360
           43
Energy of minimum     38=      -61.0127087075 first found at step        8
C82         1.4289314186        1.4026965900       -3.0861586178
C81         1.4599754111        1.3328076497       -1.5457903391
C8          0.0640897130        1.5200355694       -0.8868596039
C9         -0.5980151309        2.8676173846       -1.2773892185
C91        -1.9924334570        3.0381352480       -0.6400813793
O7          0.1615416753        1.4904692261        0.5765335050
C6          0.5079785721        0.2749999247        1.3097679349
C7          2.0107565590        0.0866807121        1.3342051389
C2          2.6164781650       -1.1234291074        1.3001934680
C1          4.1138274698       -1.2700717086        1.3574744907
O1B         4.6205031165       -2.3789679471        1.3010585024
O1A         4.8248970959       -0.2824069994        1.4542560506
C3          1.8072014765       -2.4127122510        1.2146192572
C4          0.3064741576       -2.2163417710        1.5451669342
N4         -0.4567565600       -3.4423305928        1.2008082979
HAB        -0.4264017018       -3.5840934304        0.1869928168
HAA        -1.4466147985       -3.2672673113        1.3971741101
C5         -0.2405313890       -0.9779592456        0.7908893869
N5         -1.7049992211       -0.8143989658        0.9288170705
HAD        -2.0526964991       -0.4467328105        1.8018002856
C10        -2.6057030917       -1.0629944679       -0.0415330152
C11        -4.0442739481       -0.7676720363        0.3262908066
O10        -2.2680333842       -1.4903842415       -1.1327401971
HM1         1.9044515988       -2.8212348879        0.2055805013
HM2         2.2096924262       -3.1645803842        1.8978941187
HM3        -4.1580174908        0.2863658344        0.5915265075
HM4        -4.3473317241       -1.3715872257        1.1851025729
HM5        -4.7129877579       -0.9900196261       -0.5089208953
HM6         0.2155356165       -2.0259009397        2.6225663976
HM7         2.5971833664        1.0016642024        1.3986848572
HM8         0.0160772573       -1.1141511744       -0.2639520839
HM9         2.4017433740        1.1158838322       -3.4916142596
HM10        1.2105391849        2.4141680884       -3.4340885668
HM11        0.6769468597        0.7201166011       -3.4887658209
HM12        1.8533689617        0.3496643042       -1.2831468657
HM13        2.1590298558        2.0819906140       -1.1652012391
HM14       -0.5990418334        0.7215130255       -1.2276228814
HM15        0.0444135611        3.7015521560       -0.9827906092
HM16       -0.7246026426        2.9205632715       -2.3602475332
HM17       -1.9274655475        3.0831413590        0.4492325435
HM18       -2.6456681904        2.2071523719       -0.9163032222
HM19       -2.4529946520        3.9650017935       -0.9889955563
HM20        0.1929321272        0.4430173659        2.3455663498
           43
Energy of minimum     39=      -60.9863349573 first found at step      118
C82        -1.0797186612        2.8546569345       -2.9420787757
C81        -0.5834090004        1.4370798160       -2.5947189548
C8          0.1795451444        1.3774577034       -1.2449753666
C9          1.4734322038        2.2423560014       -1.2064537971
C91         2.5237526594        1.8519504843       -2.2678964667
O7          0.4994786038       -0.0203436991       -0.9784893127
C6          0.7450607587       -0.3933007417        0.4037172720
C7          1.8968879217       -1.3780543518        0.3846290340
C2          1.9307727638       -2.5300830842        1.0941168426
C1          3.1164932797       -3.4577208712        1.0569568242
O1B         3.0977397580       -4.4979632000        1.6949697363
O1A         4.0947186575       -3.1774392519        0.3824289187
C3          0.7702910527       -2.9401160784        1.9900884916
C4         -0.1807886108       -1.7639468839        2.3164655445
N4         -1.3910654181       -2.2712763712        3.0166638321
HAB        -1.8819123380       -2.9402358072        2.4163636370
HAA        -1.1127119374       -2.8103120300        3.8429684457
C5         -0.5438281821       -1.0027338278        1.0138056356
N5         -1.5844147995        0.0254804628        1.2388256070
HAD        -1.4245251878        0.6922892230        1.9772831054
C10        -2.7570968071        0.1011872343        0.5795957955
C11        -3.6523553759        1.2483309552        1.0004601815
O10        -3.0636223162       -0.6969160747       -0.2911187954
HM1         0.2079513893       -3.7363450275        1.4954506677
HM2         1.1398661554       -3.3521300571        2.9324779253
HM3        -3.1463576476        2.2029536875        0.8358512099
HM4        -3.8970816956        1.1691137614        2.0625533223
HM5        -4.5834049150        1.2459784690        0.4282545482
HM6         0.3521571255       -1.0678521887        2.9773883881
HM7         2.7372994504       -1.0938579843       -0.2466405637
HM8        -0.9188042456       -1.7417559103        0.2979323241
HM9        -1.6994746185        2.8238807668       -3.8409124565
HM10       -0.2436229078        3.5297879103       -3.1348104889
HM11       -1.6807270119        3.2636526964       -2.1265761369
HM12       -1.4540155915        0.7792246659       -2.5343074912
HM13        0.0396888321        1.0599616096       -3.4089101426
HM14       -0.4972589285        1.7397284123       -0.4664077513
HM15        1.2151762250        3.2957855431       -1.3327982623
HM16        1.9321186566        2.1653249483       -0.2182609460
HM17        2.1494436439        2.0293959248       -3.2779445851
HM18        2.8022168186        0.7999327238       -2.1765472776
HM19        3.4260117762        2.4531882699       -2.1363019177
HM20        1.0460933198        0.4836852369        0.9869021993
           43
Energy of minimum     40=      -60.9183789066 first found at step      170
C82         2.6606831922       -1.4817920487       -1.6886270836
C81         1.9580134550       -1.8809379786       -0.3767173168
C8          1.9367010644       -0.7067166307        0.6453672697
C9          2.4523180814       -1.1386235422        2.0409940435
C91         3.9777805881       -1.3661329258        2.0569384075
O7          0.5742048231       -0.2149185707        0.8225301895
C6         -0.0288375508        0.5342874386       -0.2666830356
C7          0.5222019310        1.9497703028       -0.2638328498
C2         -0.2348220404        3.0586014713       -0.4382297770
C1          0.3637160430        4.4402858655       -0.4583869897
O1B        -0.3564492557        5.4157722113       -0.5972665775
O1A         1.5682513577        4.5893121187       -0.3265961067
C3         -1.7411754781        2.9658432014       -0.6430499559
C4         -2.2118012833        1.5399378837       -1.0154311182
N4         -3.6940503586        1.4661274013       -0.9728567330
HAB        -4.0038348906        1.5935599171       -0.0049012313
HAA        -3.9691505931        0.5044662540       -1.1919747275
C5         -1.5605206612        0.5063871233       -0.0602955043
N5         -2.0882262509       -0.8644610305       -0.2462975685
HAD        -1.7026919867       -1.4144755594       -0.9982857642
C10        -2.9914467436       -1.4613350616        0.5557377916
C11        -3.3233340710       -2.8934927643        0.1919705881
O10        -3.4987673542       -0.8767655110        1.4989997301
HM1        -2.2419402010        3.2847562559        0.2745742853
HM2        -2.0654533702        3.6481058147       -1.4326818203
HM3        -2.4229571263       -3.5117795887        0.2287711140
HM4        -3.7309823467       -2.9425277857       -0.8207642410
HM5        -4.0596049271       -3.3102803119        0.8836737505
HM6        -1.8695144110        1.3223786176       -2.0356354194
HM7         1.5972885229        2.0420486339       -0.1278995724
HM8        -1.7533202291        0.8291668435        0.9690359187
HM9         2.1599773098       -0.6348728447       -2.1618283668
HM10        3.7003061315       -1.2060438607       -1.4970030127
HM11        2.6529919569       -2.3191625739       -2.3898276758
HM12        0.9402766143       -2.2121069179       -0.5992044603
HM13        2.4755486259       -2.7483957800        0.0385375324
HM14        2.5698811648        0.1121715740        0.2916620485
HM15        2.2173568083       -0.3584969091        2.7699048774
HM16        1.9421467496       -2.0493101307        2.3660811320
HM17        4.2671032457       -2.1776656076        1.3864912657
HM18        4.3069785639       -1.6269597105        3.0651756780
HM19        4.5043021903       -0.4593514498        1.7504484479
HM20        0.2008527093        0.0536261659       -1.2226171621
           43
Energy of minimum     41=      -60.8842948988 first found at step      373
C82        -0.0391664016       -3.7184408453       -1.8483704560
C81        -0.5425439878       -2.4892906971       -1.0655707325
C8          0.3727355023       -2.1206094154        0.1342917574
C9          0.3227989301       -3.1898214706        1.2560072053
C91         1.2427807076       -2.8322174157        2.4405140782
O7         -0.0704778596       -0.8489880613        0.6919394809
C6          0.3966444605        0.3542592572        0.0273702766
C7          1.7854386334        0.6830019821        0.5433275467
C2          2.1873579081        1.9219546739        0.9119964313
C1          3.5894082602        2.1973802635        1.3880970842
O1B         3.9069499658        3.3240092637        1.7338324513
O1A         4.4098831454        1.2946305278        1.4371177312
C3          1.2428112927        3.1155418850        0.8505683119
C4         -0.0074656493        2.8624219705       -0.0258526509
N4         -0.9952126402        3.9528622261        0.1823115298
HAB        -0.6066240730        4.8375905285       -0.1593496313
HAA        -1.8050378430        3.7719430577       -0.4179882218
C5         -0.6227998235        1.4806870776        0.3158729504
N5         -1.9360553414        1.2140255224       -0.3231443720
HAD        -2.7003281490        0.9832731283        0.2930695266
C10        -2.1969955387        1.1870163067       -1.6465444631
C11        -3.6223532384        0.8182812245       -2.0029453408
O10        -1.3500477100        1.4405007673       -2.4870415840
HM1         0.9252700920        3.3627941172        1.8668048548
HM2         1.7592838410        3.9955256577        0.4597076094
HM3        -3.8619724901       -0.1777848665       -1.6223816725
HM4        -3.7660487964        0.8195597259       -3.0863049840
HM5        -4.3212093664        1.5316623179       -1.5591575056
HM6         0.3099624286        2.8460607479       -1.0760902676
HM7         2.4791553397       -0.1536980208        0.5928673128
HM8        -0.7839155327        1.4803026521        1.3994274784
HM9        -0.0925439788       -4.6249325593       -1.2426898616
HM10        0.9940315841       -3.5728448948       -2.1719401864
HM11       -0.6559471963       -3.8733999928       -2.7363827772
HM12       -0.5946251358       -1.6498169452       -1.7620114834
HM13       -1.5608328445       -2.6765032014       -0.7148455615
HM14        1.4061441854       -2.0247911485       -0.2132490885
HM15       -0.7028314378       -3.3101440717        1.6147139842
HM16        0.6435557510       -4.1560572147        0.8620452424
HM17        1.2231805387       -3.6310195905        3.1851625244
HM18        0.9192724274       -1.9089171578        2.9261559132
HM19        2.2737310895       -2.7054723509        2.1020793859
HM20        0.4446389506        0.1894650383       -1.0534198265
           43
Energy of minimum     42=      -60.8636438424 first found at step      144
C82         2.0182518642       -2.8962593624       -0.9960053651
C81         0.8039492596       -3.2833601797       -0.1282606829
C8          0.0717205305       -2.0427596942        0.4409262457
C9         -1.0814878665       -2.4779499653        1.3894825455
C91        -1.1403799200       -1.6229883794        2.6712705246
O7         -0.4440565827       -1.2780630684       -0.6924181064
C6         -0.9842833056        0.0569520410       -0.4927387672
C7         -1.8481226895        0.3044668531       -1.7152838963
C2         -1.7507732565        1.3784684504       -2.5315722259
C1         -2.6567840059        1.5661699514       -3.7201237693
O1B        -2.5230644770        2.5391621303       -4.4446543068
O1A        -3.5204257163        0.7400247951       -3.9697196575
C3         -0.7360817760        2.4748236485       -2.2573814120
C4         -0.3023969323        2.5033128684       -0.7757489568
N4          0.7731066469        3.5121359898       -0.5939094236
HAB         1.0539055715        3.5198592759        0.3906107565
HAA         0.4012297041        4.4503779704       -0.7727602415
C5          0.1642326191        1.0940862493       -0.3232454629
N5          0.6727843215        1.1254973028        1.0684937926
HAD         0.0132283278        1.3460466563        1.7991256467
C10         1.9563202991        0.9308669184        1.4331409758
C11         2.2213260957        1.0511490085        2.9193154444
O10         2.8266187832        0.6649426849        0.6213453194
HM1         0.1407950968        2.3204054177       -2.8911937096
HM2        -1.1439202108        3.4558342766       -2.5122272471
HM3         3.2765616014        0.8752088069        3.1424149875
HM4         1.6235418138        0.3212243879        3.4707426105
HM5         1.9532641166        2.0499450305        3.2724446911
HM6        -1.1728572118        2.7827902489       -0.1674872810
HM7        -2.5894606087       -0.4681032171       -1.9132810628
HM8         0.9718705936        0.7939071356       -0.9992041611
HM9         1.7093769207       -2.3237839201       -1.8734262041
HM10        2.7268228827       -2.2966014431       -0.4202532164
HM11        2.5336571416       -3.7949233333       -1.3419983220
HM12        0.1117043312       -3.8909865461       -0.7173176351
HM13        1.1582171776       -3.9049127059        0.6981485716
HM14        0.8056856145       -1.4538839006        0.9929467326
HM15       -2.0422437387       -2.4311058002        0.8701944974
HM16       -0.9440380442       -3.5183497879        1.6949892533
HM17       -0.1991124337       -1.6930985044        3.2213120744
HM18       -1.9415113819       -1.9797056913        3.3223223307
HM19       -1.3311635604       -0.5733696791        2.4461633719
HM20       -1.6360075953        0.0725470799        0.3848207410
           43
Energy of minimum     43=      -60.8221961172 first found at step      143
C82        -0.9487863760        3.2430101167       -2.3630680061
C81         0.3321919765        2.4117488847       -2.1478518743
C8          0.6334690949        2.2022267047       -0.6394216686
C9          2.1084253651        1.7853864332       -0.3971687818
C91         2.5231917950        2.0095215425        1.0696777009
O7         -0.2973548054        1.2594215409       -0.0024151283
C6         -0.4125333450       -0.1094780316       -0.4977162347
C7         -1.7081297083       -0.2130458061       -1.2866189613
C2         -2.6328067114       -1.1888314842       -1.1307857393
C1         -3.8831084441       -1.2484703295       -1.9686393835
O1B        -4.7020746645       -2.1341147558       -1.7826982738
O1A        -4.0876465131       -0.4053844591       -2.8275985757
C3         -2.4336155296       -2.3047920559       -0.1182946182
C4         -0.9544096268       -2.4536139019        0.2995400320
N4         -0.8393871516       -3.4530744860        1.3918601680
HAB         0.1456805903       -3.5139459265        1.6630105663
HAA        -1.3001608748       -3.0825718396        2.2281933705
C5         -0.3842730640       -1.0717759927        0.7192521066
N5          0.9794598368       -1.1867279853        1.2846150331
HAD         1.7484017685       -1.2625834799        0.6367865805
C10         1.2716029261       -1.2110460794        2.6005097008
C11         2.7408723721       -1.3767819291        2.9297296834
O10         0.4041729194       -1.1167634031        3.4531075916
HM1        -3.0453965439       -2.1015603101        0.7642039007
HM2        -2.7699205880       -3.2618670337       -0.5244096940
HM3         3.1085957913       -2.3308613105        2.5442786144
HM4         2.9024762095       -1.3529388124        4.0102404512
HM5         3.3280772529       -0.5765449735        2.4740386561
HM6        -0.3866616376       -2.8059068657       -0.5715771944
HM7        -1.8626029400        0.5571479234       -2.0356276372
HM8        -1.0530092100       -0.6489235882        1.4772597205
HM9        -1.1663690158        3.3307336636       -3.4297667176
HM10       -0.8211388545        4.2495178420       -1.9579730999
HM11       -1.8100789921        2.7872389523       -1.8721703441
HM12        0.2591839789        1.4566664391       -2.6718597390
HM13        1.1591042937        2.9558390821       -2.6107968428
HM14        0.4946208717        3.1717399747       -0.1503040418
HM15        2.2754065328        0.7436558570       -0.6776190240
HM16        2.7675770448        2.3892197249       -1.0255885234
HM17        1.8681081133        1.4676320205        1.7529289781
HM18        2.4745935263        3.0713533604        1.3217636271
HM19        3.5485148453        1.6686053106        1.2284647850
HM20        0.4257374917       -0.3490605334       -1.1594911633
           43
Energy of minimum     44=      -60.7921580895 first found at step      138
C82         2.1509954563        2.0306572499        2.1523156545
C81         1.5559970523        2.4719953480        0.7996957148
C8          1.8254111066        1.4341366317       -0.3269990205
C9          2.2201324636        2.1515321987       -1.6420813615
C91         2.5825862497        1.1576224431       -2.7637833099
O7          0.6312569175        0.6362097145       -0.6014866328
C6          0.1362873983       -0.2848004297        0.4083799074
C7          1.0846470007       -1.4662021135        0.5317163184
C2          0.6861540984       -2.7584066955        0.5957182890
C1          1.6674057733       -3.8903381081        0.7518519391
O1B         1.2689795709       -5.0434365054        0.7852609718
O1A         2.8633032869       -3.6593691092        0.8349726456
C3         -0.7876526128       -3.1368080485        0.5383162596
C4         -1.7260965865       -1.9406827109        0.8258140573
N4         -3.1367553546       -2.3269343650        0.5552704299
HAB        -3.3698569458       -3.1773986653        1.0775632939
HAA        -3.2399038902       -2.5817579130       -0.4311905611
C5         -1.2842587677       -0.7190323360       -0.0226355856
N5         -2.2307173795        0.4154794646        0.0653445523
HAD        -2.2854089989        0.9092614005        0.9413501109
C10        -3.0483804173        0.8214656665       -0.9251812636
C11        -3.9370724515        1.9983595648       -0.5775096433
O10        -3.0606440205        0.2780278824       -2.0185645165
HM1        -1.0085559165       -3.5427613203       -0.4522824516
HM2        -1.0097004832       -3.9263077516        1.2606653382
HM3        -3.3293208841        2.8637824554       -0.3017166456
HM4        -4.5822211275        1.7497506628        0.2688005971
HM5        -4.5682602347        2.2737979549       -1.4260619529
HM6        -1.6231589502       -1.6727511329        1.8855387186
HM7         2.1425201318       -1.2237084713        0.5934710097
HM8        -1.2158827359       -1.0483764899       -1.0647792952
HM9         1.7346016504        1.0787715556        2.4844937957
HM10        3.2352664138        1.9222108690        2.0744381858
HM11        1.9387076410        2.7803144041        2.9177506954
HM12        0.4826015314        2.6489372166        0.9073969288
HM13        2.0051388657        3.4342563123        0.5408376186
HM14        2.6557329652        0.7830467878       -0.0400272424
HM15        1.4045850189        2.7985741862       -1.9762413015
HM16        3.0869368641        2.7915942609       -1.4583526331
HM17        3.3981321392        0.5025556729       -2.4487579069
HM18        2.9046626298        1.6996899021       -3.6556353430
HM19        1.7239184172        0.5394077825       -3.0349200945
HM20        0.0578871147        0.2276345783        1.3712437291
           43
Energy of minimum     45=      -60.7456291764 first found at step       15
C82         3.2100007864        1.7296945528       -1.5248219698
C81         1.7980816358        1.3505619328       -2.0209865670
C8          0.6917805479        1.4556800129       -0.9355902999
C9          0.5591696685        2.8672938902       -0.2957564224
C91         0.2330748119        3.9655929768       -1.3274550153
O7          0.9775733452        0.4718249820        0.1025070947
C6         -0.1351868440        0.0285189794        0.9240905643
C7          0.3955989924       -0.0849903596        2.3390910019
C2          0.1518368204       -1.1276026703        3.1668957473
C1          0.6843299562       -1.1724741154        4.5748260064
O1B         0.4596291606       -2.1416456568        5.2817287521
O1A         1.3492214796       -0.2455471189        5.0098279712
C3         -0.6983686267       -2.3086091820        2.7198339068
C4         -1.5543784338       -1.9925752160        1.4701611126
N4         -2.1981820149       -3.2367282970        0.9701320056
HAB        -1.4784258821       -3.9198437421        0.7169552654
HAA        -2.7303427331       -3.6793333238        1.7262528312
C5         -0.6728949385       -1.3215932177        0.3834232113
N5         -1.3967917103       -1.1509986238       -0.8961878403
HAD        -2.2878660325       -0.6814167376       -0.8651261616
C10        -0.9940214602       -1.6356224105       -2.0871110219
C11        -1.9228905544       -1.3344504750       -3.2451745800
O10         0.0434462897       -2.2657152676       -2.2128806692
HM1        -0.0406132735       -3.1550526473        2.5059093002
HM2        -1.3694777609       -2.6242830861        3.5225792592
HM3        -1.5347570764       -1.7561361072       -4.1756670429
HM4        -2.0312124637       -0.2543915945       -3.3722535423
HM5        -2.9126836057       -1.7581189956       -3.0580177769
HM6        -2.3335957954       -1.2766479163        1.7628501019
HM7         0.9995691748        0.7566859666        2.6745782946
HM8         0.1946213993       -1.9699109086        0.2211851915
HM9         3.9402741032        1.5629590183       -2.3196776588
HM10        3.5007825243        1.1216798907       -0.6654090181
HM11        3.2599520349        2.7829599863       -1.2419408585
HM12        1.5381594218        1.9793742950       -2.8753381490
HM13        1.8240845387        0.3248047985       -2.3970157689
HM14       -0.2585438344        1.2004014736       -1.4125449242
HM15       -0.2450344075        2.8561447853        0.4431686916
HM16        1.4732975621        3.1330404254        0.2401756649
HM17        0.0476709110        4.9137575836       -0.8179748046
HM18       -0.6605055011        3.7044716226       -1.8990870270
HM19        1.0622978618        4.1153438205       -2.0217070282
HM20       -0.9386800772        0.7728966762        0.9115521720
           43
Energy of minimum     46=      -60.7146424314 first found at step      191
C82        -0.0016498107       -0.9956396566        4.4351285318
C81         0.4410636145       -0.9088881351        2.9600322988
C8         -0.0122249571        0.4061571205        2.2648389360
C9         -1.5514043214        0.5108165350        2.0870604317
C91        -1.9817165696        1.9481975033        1.7354816754
O7          0.6652641152        0.6018367998        0.9767279694
C6          0.6220291867       -0.4500892502       -0.0324650863
C7          1.9806186304       -1.1317244283       -0.0388580568
C2          2.6857848717       -1.4322506026       -1.1542753456
C1          4.0186257227       -2.1310512213       -1.0950129496
O1B         4.6324391896       -2.3643024890       -2.1238103921
O1A         4.4941796902       -2.4566228466       -0.0187330456
C3          2.1517871910       -1.0977214513       -2.5381858046
C4          0.6323966862       -0.8178327392       -2.5325713901
N4          0.2079854327       -0.3217615924       -3.8663483540
HAB         0.6304046127        0.5975117760       -4.0263279269
HAA        -0.7957085047       -0.1251245958       -3.8264888472
C5          0.2835791415        0.1897776798       -1.4037766380
N5         -1.1320890372        0.6196052982       -1.4636017284
HAD        -1.8242219778        0.0026178775       -1.0674915376
C10        -1.5683132469        1.7707155033       -2.0129987632
C11        -3.0695028338        1.9700181970       -1.9795928635
O10        -0.7993123751        2.5789268479       -2.5066301339
HM1         2.6825357478       -0.2230700713       -2.9225675336
HM2         2.3443681194       -1.9168854853       -3.2353378960
HM3        -3.3430757708        2.9377498212       -2.4071895338
HM4        -3.4381965647        1.9285562902       -0.9523334721
HM5        -3.5673842926        1.1836653924       -2.5521499860
HM6         0.1126737315       -1.7608152359       -2.3181417277
HM7         2.3819062090       -1.3885919158        0.9375875774
HM8         0.9314235040        1.0658545787       -1.5197573886
HM9         0.4472288947       -1.8723705219        4.9072280256
HM10       -1.0852769974       -1.0901241379        4.5229654476
HM11        0.3195848929       -0.1099337983        4.9880667401
HM12        1.5315595759       -0.9601688495        2.9461627348
HM13        0.0598172632       -1.7809178007        2.4232427917
HM14        0.3014583853        1.2330450517        2.9099260241
HM15       -1.8990733296       -0.1814373429        1.3172077742
HM16       -2.0600220856        0.2343033353        3.0114967321
HM17       -1.4921362449        2.2975246245        0.8253693240
HM18       -1.7231743113        2.6328067824        2.5465660704
HM19       -3.0625176568        1.9920139000        1.5849696713
HM20       -0.1517135209       -1.1843767467        0.2145876445
           43
Energy of minimum     47=      -60.6897927625 first found at step       56
C82         2.3745206614        0.6284550307       -2.1248443645
C81         2.2281523252        1.2659554555       -0.7268536805
C8          2.1033744307        0.2322965446        0.4308209344
C9          3.3076871912       -0.7395623708        0.5434285610
C91         4.6422201953       -0.0170659844        0.8154460592
O7          0.9016061535       -0.5745782137        0.2550861322
C6         -0.3608185247        0.0298960677        0.6428983012
C7         -0.5343242553       -0.1335248470        2.1420042615
C2         -1.6795444172       -0.5419267340        2.7371148239
C1         -1.8042828933       -0.6563617755        4.2336706523
O1B        -2.8466955903       -1.0499770363        4.7317061592
O1A        -0.8615299472       -0.3645866392        4.9524761675
C3         -2.9170052379       -0.8944496762        1.9221448935
C4         -2.8681807263       -0.3548241565        0.4726735414
N4         -3.9677126323       -0.9587954937       -0.3238248536
HAB        -4.8710914044       -0.6462004940        0.0458978042
HAA        -3.9252727656       -0.5765855115       -1.2729957740
C5         -1.4867552834       -0.6621766637       -0.1614084972
N5         -1.3991303699       -0.3637865966       -1.6132721564
HAD        -1.1470301071       -1.1302144294       -2.2183183846
C10        -1.5809415423        0.8372711594       -2.2006580965
C11        -1.3855521421        0.8441369508       -3.7029766684
O10        -1.8827090457        1.8364935056       -1.5695429562
HM1        -3.0217610170       -1.9821691407        1.8975871245
HM2        -3.8178204348       -0.5024726297        2.4004559265
HM3        -1.5422327956        1.8455037944       -4.1116282115
HM4        -2.0917622662        0.1601390901       -4.1800613719
HM5        -0.3729110062        0.5212710187       -3.9563264651
HM6        -2.9933157775        0.7347066923        0.5095894552
HM7         0.3348592037        0.1172258390        2.7464241692
HM8        -1.3319084413       -1.7401053926       -0.0424920470
HM9         3.3168780848        0.0843039201       -2.2128260385
HM10        1.5531306898       -0.0604768904       -2.3307744949
HM11        2.3650645366        1.4062476444       -2.8915247922
HM12        3.0825544448        1.9209612168       -0.5441197525
HM13        1.3515134427        1.9168080571       -0.7307170968
HM14        2.0272368573        0.7792754294        1.3754207504
HM15        3.1218274308       -1.4314413925        1.3690122862
HM16        3.4006158976       -1.3460063533       -0.3605469029
HM17        4.9399125298        0.5971265023       -0.0367125780
HM18        5.4335651279       -0.7484469262        0.9937811443
HM19        4.5622940732        0.6219106984        1.6978955437
HM20       -0.3567246524        1.0957507306        0.3968904918
           43
Energy of minimum     48=      -60.6642809777 first found at step      133
C82         1.2345879732        2.4827844080       -1.7109566130
C81         1.5364317662        1.2103827510       -2.5239212910
C8          1.6891025022       -0.0573276536       -1.6438145476
C9          2.1542659124       -1.2463749322       -2.5211156513
C91         2.4236102546       -2.5200541339       -1.6961307149
O7          0.4089833194       -0.4067624627       -1.0353368279
C6          0.2012732693       -0.0569257936        0.3612065209
C7          1.0317874812       -0.9825340354        1.2366104529
C2          0.5607304831       -1.6455485101        2.3189989250
C1          1.4456372625       -2.5235105250        3.1647503988
O1B         0.9783119463       -3.1243875378        4.1188313333
O1A         2.6299635309       -2.6447136330        2.8943207379
C3         -0.8904691355       -1.5150768226        2.7591471823
C4         -1.5816156439       -0.2633517092        2.1719076367
N4         -3.0378287349       -0.3036853291        2.4660475155
HAB        -3.4701989669        0.5150260204        2.0283007752
HAA        -3.4622741024       -1.1038608094        1.9886261530
C5         -1.3155122331       -0.1829543668        0.6449290818
N5         -2.1017631899        0.8569800670       -0.0651689533
HAD        -2.6257434742        0.5558083457       -0.8733102286
C10        -2.1421720107        2.1750937615        0.2221203394
C11        -3.0055736348        2.9985809088       -0.7109364231
O10        -1.5262619014        2.6628803710        1.1548365623
HM1        -1.4354700220       -2.4114254711        2.4527656579
HM2        -0.9612346628       -1.4596004916        3.8481010018
HM3        -2.6402983908        2.9143314753       -1.7375028194
HM4        -2.9940107002        4.0530099709       -0.4239951861
HM5        -4.0384760716        2.6427422703       -0.6846975026
HM6        -1.1369003561        0.6197078793        2.6469774076
HM7         2.0775672108       -1.0825947764        0.9572171067
HM8        -1.6158014697       -1.1520196644        0.2302971009
HM9         1.9781885769        2.6254367279       -0.9235262367
HM10        0.2454704234        2.4278808257       -1.2566586429
HM11        1.2547126093        3.3579589218       -2.3640610188
HM12        0.7484708968        1.0586639509       -3.2663427430
HM13        2.4664496787        1.3743200831       -3.0741402627
HM14        2.4437517863        0.1278521847       -0.8735112499
HM15        1.4038827191       -1.4621673352       -3.2864126503
HM16        3.0753151008       -0.9725279528       -3.0419477142
HM17        2.7822501238       -3.3197991474       -2.3478257323
HM18        1.5137538175       -2.8680181474       -1.2021931981
HM19        3.1852508593       -2.3323498514       -0.9360558224
HM20        0.5118551970        0.9781301686        0.5335701403
           43
Energy of minimum     49=      -60.6399728678 first found at step       53
C82         1.1729716765       -0.3629851610        3.2694412956
C81         0.5567509999       -1.6696753154        2.7325998570
C8         -0.2708243361       -1.4263514362        1.4462839994
C9         -1.0899632280       -2.6788838349        1.0288592685
C91        -0.2255063623       -3.9047811827        0.6640458706
O7          0.6317364052       -1.0268951868        0.3729005916
C6          0.0430754911       -0.2992297553       -0.7364257536
C7          0.6512064379       -0.8649835739       -2.0033132404
C2          1.1213566760       -0.1169132728       -3.0284745669
C1          1.6870833266       -0.7395316721       -4.2776306731
O1B         2.1218407076       -0.0303672905       -5.1708038327
O1A         1.7209521861       -1.9540603100       -4.3976328466
C3          1.0873183918        1.4045678072       -2.9805230193
C4          0.1227734306        1.9597234546       -1.9053819108
N4          0.3422091321        3.4207946851       -1.7457264014
HAB         0.0836847044        3.9035819948       -2.6120848477
HAA        -0.3149113154        3.7709687983       -1.0427847127
C5          0.3346149428        1.2136310018       -0.5621200400
N5         -0.3933831709        1.8175811650        0.5823948973
HAD         0.1687382701        2.1599631755        1.3469048495
C10        -1.7298827787        1.9580303289        0.7013180161
C11        -2.1855363930        2.6011673772        1.9945463586
O10        -2.5058371824        1.5891138204       -0.1639324597
HM1         2.0975202771        1.7714127283       -2.7814795469
HM2         0.7890283384        1.8140221349       -3.9486418033
HM3        -1.7587748387        3.6025471543        2.0910781380
HM4        -1.8571610154        2.0051238987        2.8497165796
HM5        -3.2748226994        2.6831874670        2.0263917978
HM6        -0.9059213884        1.7747591275       -2.2398358246
HM7         0.6780834521       -1.9518886803       -2.0561690211
HM8         1.4044311204        1.2926701401       -0.3399937231
HM9         1.7250839519       -0.5587815857        4.1912715038
HM10        0.3925489807        0.3697378299        3.4874630344
HM11        1.8649036695        0.0704327146        2.5438138787
HM12        1.3559788859       -2.3904297957        2.5438660093
HM13       -0.0892778790       -2.0935258908        3.5055117216
HM14       -0.9739741485       -0.6138325875        1.6484307571
HM15       -1.7629200075       -2.9527385717        1.8451460404
HM16       -1.7266845386       -2.4303068603        0.1767180650
HM17        0.3506883898       -4.2517356821        1.5239852553
HM18        0.4650175516       -3.6716809137       -0.1490492634
HM19       -0.8660850094       -4.7269306193        0.3375521337
HM20       -1.0381311042       -0.4665076254       -0.7682364319
           43
Energy of minimum     50=      -60.6082145170 first found at step      273
C82        -2.9971976396       -2.1193412867       -0.0687415333
C81        -2.3867607774       -0.8735272950        0.6019673712
C8         -1.0346933985       -1.1978192327        1.3022440608
C9         -1.1629599178       -1.2768880484        2.8453369018
C91        -2.0461423438       -2.4486471871        3.3174670455
O7         -0.0614912026       -0.1568486005        0.9967387903
C6          0.5689308315       -0.2154822907       -0.3108613036
C7          1.7299506392       -1.1910650730       -0.2433404454
C2          2.9513777369       -0.9560538647       -0.7767924390
C1          4.0621808423       -1.9706006977       -0.7085953266
O1B         5.1561926912       -1.7115010420       -1.1835230502
O1A         3.8746089515       -3.0508750827       -0.1716029738
C3          3.2639910746        0.3501191978       -1.4941279627
C4          1.9963485606        1.1435736710       -1.8916008650
N4          2.3808428653        2.5030993081       -2.3516006333
HAB         1.5331585466        3.0199279192       -2.6037943561
HAA         2.9200954908        2.4349421527       -3.2208538118
C5          1.0174502645        1.2149781085       -0.6927991579
N5         -0.1591729456        2.0707447364       -0.9695937524
HAD        -0.7131920366        1.8525286915       -1.7828946470
C10        -0.5981039283        3.0653422425       -0.1729765463
C11        -1.8795974127        3.7302252320       -0.6319262447
O10         0.0010064058        3.4012840495        0.8359725066
HM1         3.8847675910        0.9689644530       -0.8411414493
HM2         3.8474082318        0.1628043316       -2.3988577104
HM3        -2.1734190339        4.5267122975        0.0562396823
HM4        -2.6893107751        2.9978602578       -0.6811410618
HM5        -1.7477366140        4.1621556246       -1.6270655691
HM6         1.4940656282        0.6073564124       -2.7077387298
HM7         1.5267789308       -2.1334660533        0.2611980289
HM8         1.5738436005        1.6250657094        0.1566050489
HM9        -2.3237525705       -2.5104754517       -0.8349168755
HM10       -3.9453922415       -1.8629390151       -0.5463589842
HM11       -3.1853152014       -2.9083902698        0.6617189957
HM12       -2.2493817227       -0.1085106621       -0.1659915144
HM13       -3.1011058191       -0.4623776245        1.3196859652
HM14       -0.6464510622       -2.1542544378        0.9383125346
HM15       -0.1672612092       -1.4037753845        3.2783173857
HM16       -1.5674290223       -0.3397975823        3.2372097296
HM17       -1.6827750190       -3.3947281736        2.9096539995
HM18       -3.0840796661       -2.3086553930        3.0091083894
HM19       -2.0263076360       -2.5164117451        4.4074006093
HM20       -0.1539696870       -0.5652529014       -1.0563401020
           43
Energy of minimum     51=      -60.5854699842 first found at step     1041
C82        -1.6014734436        0.6379982801       -2.7303139802
C81        -2.1203590174       -0.2465225468       -1.5768547109
C8         -2.0836183046        0.4454162301       -0.1826955856
C9         -2.9105617548        1.7559128638       -0.1048493112
C91        -4.4107752611        1.5398432846       -0.3869974519
O7         -0.7090565066        0.7704624485        0.1787434006
C6          0.1128756539       -0.3141943752        0.6854562532
C7         -0.1785557158       -0.4906586692        2.1649167031
C2          0.7719797916       -0.6509800616        3.1157668080
C1          0.4230297501       -0.8527168664        4.5668853912
O1B         1.3092697352       -0.9702385120        5.3977532537
O1A        -0.7457120283       -0.8896546934        4.9179595071
C3          2.2546961464       -0.6529525369        2.7661891900
C4          2.5228982300       -0.8688855115        1.2578141269
N4          3.9545646750       -0.6113686535        0.9540154438
HAB         4.1732778023        0.3716166447        1.1396428929
HAA         4.0870941057       -0.7167056478       -0.0561821081
C5          1.5930586029        0.0461226034        0.4181803674
N5          1.9108072675        0.0737954264       -1.0318800465
HAD         2.1050596161        0.9770417676       -1.4376400692
C10         1.9016842094       -0.9785065710       -1.8772097969
C11         2.2183573258       -0.6357840586       -3.3184022062
O10         1.6612344993       -2.1153238718       -1.5066284371
HM1         2.6907276954        0.2987901023        3.0800167996
HM2         2.7797477979       -1.4363864966        3.3180868075
HM3         2.1869887650       -1.5289760021       -3.9472826303
HM4         3.2151023620       -0.1939769664       -3.3922951099
HM5         1.4951697158        0.0859306541       -3.7055682538
HM6         2.2820288904       -1.9121509585        1.0184984857
HM7        -1.2312716975       -0.4978052394        2.4396363694
HM8         1.7289741810        1.0643990009        0.8001222150
HM9        -1.5690401454        0.0605522198       -3.6567840018
HM10       -0.5938435389        1.0031638850       -2.5228858126
HM11       -2.2566699325        1.4957581656       -2.8941612685
HM12       -3.1406201580       -0.5630747166       -1.8033267020
HM13       -1.5261433770       -1.1619531862       -1.5452117021
HM14       -2.4896154541       -0.2494319403        0.5586491578
HM15       -2.8107318657        2.1722837149        0.9008739703
HM16       -2.5149585181        2.5039703854       -0.7958453072
HM17       -4.5787580610        1.2398971885       -1.4232612552
HM18       -4.9610541571        2.4672026957       -0.2133782411
HM19       -4.8205574037        0.7708685899        0.2719045696
HM20       -0.1252504773       -1.2427780695        0.1585422759
           43
Energy of minimum     52=      -60.5567185233 first found at step      279
C82         0.2287139320       -2.5815306726       -1.4809419036
C81        -1.1088646992       -1.9550982031       -1.9356817936
C8         -1.1375775845       -0.3995104197       -2.0237797877
C9         -0.7374700969        0.1537273299       -3.4188618965
C91         0.6991908499       -0.1776704510       -3.8707467205
O7         -0.3097686569        0.2434724509       -1.0053774089
C6         -0.7594890846        0.2037877440        0.3780404268
C7         -1.9326771488        1.1546968377        0.5594982799
C2         -2.0685314697        2.0086505448        1.6009573041
C1         -3.2700363541        2.9049164661        1.7480354190
O1B        -3.3454930398        3.6757818311        2.6912591184
O1A        -4.1674289193        2.8697208812        0.9209665277
C3         -1.0169395333        2.0958740607        2.6977337187
C4         -0.0548216439        0.8851379093        2.7114930279
N4          1.0801795688        1.1610873254        3.6302368831
HAB         1.7156551253        0.3579131732        3.6227068278
HAA         0.7381103270        1.2218300904        4.5947105561
C5          0.4437746472        0.5910973190        1.2743458973
N5          1.4921922232       -0.4541689084        1.2417765124
HAD         1.2736318230       -1.3460613282        1.6569810958
C10         2.6893887776       -0.3313301344        0.6344285979
C11         3.5534442824       -1.5752704992        0.6719894407
O10         3.0452173911        0.7085073603        0.1036309315
HM1        -0.4387196649        3.0127671966        2.5573739678
HM2        -1.4894755324        2.1681466275        3.6803199672
HM3         4.5092199531       -1.4008711156        0.1716474611
HM4         3.0468265907       -2.4044673159        0.1721508536
HM5         3.7513940448       -1.8686539883        1.7058943990
HM6        -0.6087599433        0.0052380196        3.0647318866
HM7        -2.7081232392        1.1080850604       -0.2006071393
HM8         0.8561208432        1.5256681580        0.8800088779
HM9         1.0742021827       -2.2220648542       -2.0666535262
HM10        0.4205627240       -2.3659337893       -0.4300492774
HM11        0.1824682451       -3.6673892913       -1.5884395027
HM12       -1.3842484670       -2.3735420513       -2.9069522389
HM13       -1.8857938022       -2.2770416151       -1.2379090405
HM14       -2.1756162177       -0.0917589222       -1.8766800156
HM15       -1.4375740502       -0.2234270990       -4.1685084616
HM16       -0.8553286305        1.2403488275       -3.4074337606
HM17        1.4289296275        0.1072483347       -3.1096757881
HM18        0.9345181819        0.3685149403       -4.7868293359
HM19        0.8043581356       -1.2423636560       -4.0865841007
HM20       -1.0753616975       -0.8140641740        0.6307937201
           43
Energy of minimum     53=      -60.5236314855 first found at step       63
C82        -0.4801290102        0.8702427959       -3.3110317459
C81         0.9116124365        1.2923391761       -2.8010225584
C8          0.9957299091        1.2391820007       -1.2554881135
C9          2.3020416197        1.8844317498       -0.7158266630
C91         3.5923538041        1.1652527057       -1.1642038917
O7          0.8985178826       -0.1506052771       -0.8253409269
C6          0.4775281141       -0.3804491606        0.5443376876
C7          1.3646211415       -1.4766843322        1.0983193426
C2          0.9190564712       -2.5325175610        1.8188755307
C1          1.8553060388       -3.5754744539        2.3698880451
O1B         1.4117704075       -4.5251876928        2.9951754595
O1A         3.0583968941       -3.4801542067        2.1852588871
C3         -0.5610717174       -2.7145109196        2.1280299123
C4         -1.3887489207       -1.4248577355        1.9143895172
N4         -2.8398351027       -1.7356837334        1.9930839927
HAB        -3.0978446387       -2.3665695217        1.2289570734
HAA        -3.3589489202       -0.8741071823        1.8004099780
C5         -1.0212430560       -0.7751468070        0.5539380785
N5         -1.9205037084        0.3379719489        0.1577641934
HAD        -2.4290369179        0.2272409493       -0.7071403281
C10        -2.1098023239        1.4945453692        0.8271517592
C11        -3.0707326146        2.4586439996        0.1635833128
O10        -1.5447094122        1.7420946171        1.8787773809
HM1        -0.9575009364       -3.5101560123        1.4922544983
HM2        -0.7018048079       -3.0388173867        3.1619832059
HM3        -2.7069317816        2.7312755355       -0.8302221114
HM4        -3.1790851838        3.3706309366        0.7558751588
HM5        -4.0550632541        1.9970411526        0.0532084859
HM6        -1.1248752023       -0.7180008769        2.7109873402
HM7         2.4268084932       -1.3590837585        0.8913873810
HM8        -1.1266072226       -1.5603504650       -0.2034928808
HM9        -0.5200434348        0.9453261391       -4.3999313924
HM10       -1.2554234399        1.5178108926       -2.8951085904
HM11       -0.7022439117       -0.1623899556       -3.0327141044
HM12        1.6679914974        0.6432589942       -3.2487219700
HM13        1.1130715294        2.3112538693       -3.1410383601
HM14        0.1486937824        1.8017168566       -0.8535156954
HM15        2.3469773498        2.9258000312       -1.0440258120
HM16        2.2727230263        1.9079306773        0.3759174972
HM17        3.7144350435        1.2122813164       -2.2480633172
HM18        3.5857265613        0.1172336450       -0.8578377121
HM19        4.4618785198        1.6444708240       -0.7090774672
HM20        0.6269449955        0.5227708565        1.1442499226
           43
Energy of minimum     54=      -60.4423955425 first found at step      625
C82         0.3133720043        0.6511495308       -4.2611545549
C81         1.3550641741        0.2030611394       -3.2172206865
C8          0.9755046906        0.6647815413       -1.7874856660
C9          2.1421588361        0.4382470003       -0.7883949962
C91         2.5546879998       -1.0403340987       -0.6289721221
O7         -0.2532775167       -0.0359979319       -1.3932618562
C6         -1.0703829955        0.4115430227       -0.2652281684
C7         -1.0506181746        1.9239738458       -0.1197098681
C2         -0.9570322099        2.5691940615        1.0657808811
C1         -0.9749643079        4.0717986618        1.1630019379
O1B        -0.8734161338        4.6156145631        2.2507918441
O1A        -1.0751960139        4.7501445658        0.1529553539
C3         -0.8753260384        1.7948861772        2.3734904966
C4         -1.3951926517        0.3448266249        2.2313004098
N4         -1.1811423752       -0.3945435613        3.5001500465
HAB        -0.1745701632       -0.5137217389        3.6466997042
HAA        -1.5172528378       -1.3522668086        3.3673866765
C5         -0.6898531477       -0.3468449984        1.0338701403
N5         -1.0302780466       -1.7822763189        0.9133130897
HAD        -1.8295567027       -2.0240318656        0.3474939084
C10        -0.3129152853       -2.7973641698        1.4341576496
C11        -0.8347706070       -4.1821437735        1.1130886574
O10         0.6798038382       -2.5987947625        2.1146218046
HM1         0.1620184835        1.7799022425        2.7170858582
HM2        -1.4601599104        2.2894210725        3.1528292811
HM3        -0.2061475237       -4.9506593477        1.5696705812
HM4        -0.8472000770       -4.3405253949        0.0318883842
HM5        -1.8545560503       -4.2991287570        1.4879834226
HM6        -2.4712263761        0.3864639344        2.0173142732
HM7        -1.1515543275        2.4866234672       -1.0462099572
HM8         0.3858281016       -0.2541666440        1.1906584692
HM9         0.6268184582        0.3427809577       -5.2609621936
HM10        0.2063183385        1.7383315283       -4.2564243505
HM11       -0.6623868380        0.2043136012       -4.0579317177
HM12        1.4519347674       -0.8847333977       -3.2548320151
HM13        2.3248214125        0.6263886146       -3.4908244990
HM14        0.7852014623        1.7396694638       -1.8402235736
HM15        3.0126911106        1.0040672714       -1.1291661351
HM16        1.8809694447        0.8571745507        0.1844986096
HM17        1.6961462885       -1.6656518131       -0.3823172343
HM18        3.2912138016       -1.1384256213        0.1714163489
HM19        3.0059993992       -1.4215381219       -1.5472115000
HM20       -2.1015763008        0.1287916869       -0.5039167342
           43
Energy of minimum     55=      -60.3838098403 first found at step      792
C82        -1.8936184624       -2.4668906681        1.7286785047
C81        -0.3696526804       -2.4818880702        1.4898056030
C8         -0.0022001937       -2.3215313362       -0.0143711090
C9          1.1915822932       -3.2305888101       -0.4092285326
C91         2.5022360093       -2.9030361764        0.3407263130
O7          0.3717320153       -0.9465111576       -0.3451276697
C6         -0.5896279489        0.1316970919       -0.1827815623
C7         -1.6931970696       -0.0016536303       -1.2195076826
C2         -2.1816782871        1.0301177933       -1.9471797634
C1         -3.3014082609        0.8495563414       -2.9381494675
O1B        -3.7001766140        1.8019375887       -3.5888833900
O1A        -3.8056206945       -0.2502401891       -3.1014500783
C3         -1.6379428515        2.4429522845       -1.7827510388
C4         -0.8331674996        2.6280399779       -0.4742160893
N4         -0.1598981974        3.9542691833       -0.4753043493
HAB         0.4782976833        4.0165362464       -1.2738649510
HAA        -0.8524212712        4.6939461492       -0.6307965304
C5          0.1821341106        1.4661391209       -0.3187151797
N5          1.1013331785        1.6618712881        0.8246637284
HAD         0.6901123933        1.8818000762        1.7173760426
C10         2.4442855878        1.5734801076        0.7668708497
C11         3.1541060799        1.7745038708        2.0902391937
O10         3.0355889760        1.3542921441       -0.2783880197
HM1        -0.9994043516        2.6760767909       -2.6387809886
HM2        -2.4528938726        3.1711241413       -1.7882658832
HM3         4.2370351548        1.6935707678        1.9676718506
HM4         2.8294369120        1.0210566722        2.8122486656
HM5         2.9236573314        2.7615841701        2.4986919712
HM6        -1.5351012255        2.5804807941        0.3686803026
HM7        -2.1131570171       -0.9967922055       -1.3427573577
HM8         0.7652738326        1.4119344925       -1.2440038038
HM9        -2.1065719733       -2.5900703161        2.7928286078
HM10       -2.3717319934       -3.2882470167        1.1899630817
HM11       -2.3473655108       -1.5317214222        1.3991259253
HM12        0.1092883243       -1.7009384921        2.0863072477
HM13        0.0053403270       -3.4379498125        1.8637464064
HM14       -0.8535467954       -2.6259019841       -0.6294135631
HM15        0.9261078603       -4.2743562205       -0.2230577099
HM16        1.3675271356       -3.1418778389       -1.4843676688
HM17        3.2977411184       -3.5740246819        0.0093292362
HM18        2.3842999997       -3.0288123717        1.4189303800
HM19        2.8227950233       -1.8778712746        0.1434434353
HM20       -1.0195285757        0.0939365816        0.8220350432
           43
Energy of minimum     56=      -60.3584278528 first found at step       73
C82         2.7350984558       -0.5819134072        2.1268524928
C81         1.8275650497        0.3407598100        1.2881862468
C8          1.6716902082       -0.1279862011       -0.1880758250
C9          3.0213162943       -0.3143540834       -0.9338909356
C91         3.8898620068        0.9609843023       -0.9900749339
O7          0.8679864341        0.8074856174       -0.9816539735
C6         -0.5354884614        1.0790760235       -0.6792108641
C7         -0.6380078736        2.1129799792        0.4235539756
C2         -1.6057799101        2.1094279342        1.3699032788
C1         -1.6900393475        3.1734178497        2.4318403240
O1B        -2.5653493098        3.1198475871        3.2806762953
O1A        -0.8815021655        4.0879355721        2.4511868987
C3         -2.6781503644        1.0265984012        1.4014778538
C4         -2.7679858639        0.2180869177        0.0833518228
N4         -3.6527638910       -0.9598291481        0.2673928235
HAB        -3.2221307142       -1.6022665752        0.9387393307
HAA        -3.6652521584       -1.4894015797       -0.6091405229
C5         -1.3481020847       -0.2043831668       -0.3730230907
N5         -1.3625192781       -1.1143741484       -1.5399945879
HAD        -1.5272983782       -0.7062688740       -2.4480020774
C10        -1.1249246915       -2.4394744084       -1.4899501968
C11        -1.1619102586       -3.1503894160       -2.8261557946
O10        -0.8954603323       -3.0077813388       -0.4354287923
HM1        -2.4652406144        0.3457830995        2.2295205162
HM2        -3.6598900461        1.4640932577        1.5988202277
HM3        -2.1435470551       -3.0316051798       -3.2913815242
HM4        -0.9613596878       -4.2177535333       -2.7047346098
HM5        -0.4107638918       -2.7298487494       -3.4993172511
HM6        -3.1936092375        0.8710040995       -0.6898830112
HM7         0.1216784137        2.8926191018        0.4070352033
HM8        -0.8804985070       -0.7087453712        0.4776756861
HM9         2.7093794088       -0.2776029234        3.1755152122
HM10        3.7726317526       -0.5319756682        1.7908835003
HM11        2.3946145826       -1.6180317819        2.0637912908
HM12        0.8480418200        0.3436939854        1.7693339618
HM13        2.2124185835        1.3625681751        1.3283688049
HM14        1.1781492421       -1.1031069512       -0.1887289171
HM15        3.5944896811       -1.1203424708       -0.4707016881
HM16        2.8141496092       -0.6408611806       -1.9562831898
HM17        3.3473978099        1.7846755081       -1.4592124330
HM18        4.7909217609        0.7714955851       -1.5774831209
HM19        4.2014302585        1.2722008343        0.0088513592
HM20       -0.9612472489        1.5335625158       -1.5806297653
           43
Energy of minimum     57=      -60.3105368097 first found at step      414
C82         1.1684447584        1.7432295125        3.6971056960
C81        -0.0920065698        1.3898278063        2.8829552905
C8          0.2189287731        1.0543324684        1.3995986575
C9          0.8688087518        2.2226336301        0.6082648559
C91        -0.0000359830        3.4959550009        0.5318140987
O7         -1.0330693940        0.6707223009        0.7516100905
C6         -1.1398565334       -0.6570491247        0.1615959687
C7         -0.8581015050       -1.7102482712        1.2168007130
C2         -0.1467373067       -2.8375449941        0.9874201881
C1          0.0814370090       -3.8722227528        2.0574036842
O1B         0.7457992369       -4.8665077906        1.8135737633
O1A        -0.3877179527       -3.7148089587        3.1733808951
C3          0.4407511262       -3.1305656332       -0.3860391046
C4         -0.1994932967       -2.2827031550       -1.5123311706
N4          0.5572790132       -2.4829217173       -2.7739226350
HAB         0.1393209137       -1.8987252372       -3.5033670007
HAA         0.4381711010       -3.4469858828       -3.1005908172
C5         -0.2400898155       -0.7876611256       -1.0958962378
N5         -0.7381504577        0.0978693963       -2.1733215971
HAD        -1.7374922294        0.1848651369       -2.2752908924
C10         0.0303478248        0.8430051090       -2.9927579766
C11        -0.7363290619        1.6997232017       -3.9790733441
O10         1.2487356817        0.8250958026       -2.9350937048
HM1         1.5163656305       -2.9383210220       -0.3580792149
HM2         0.3155246891       -4.1859163224       -0.6401423745
HM3        -1.3868525519        2.3987013151       -3.4474682844
HM4        -1.3597545855        1.0728509259       -4.6214313381
HM5        -0.0532698591        2.2731401728       -4.6106819883
HM6        -1.2349885920       -2.6202555875       -1.6528290815
HM7        -1.2884048666       -1.5166963021        2.1978287750
HM8         0.7799129642       -0.4944971354       -0.8309436790
HM9         0.9110526288        1.8611583892        4.7519910004
HM10        1.6106188021        2.6805862895        3.3538448148
HM11        1.9160248640        0.9509857692        3.6142041630
HM12       -0.5635386003        0.5219951147        3.3500483473
HM13       -0.8095653325        2.2107533046        2.9504268236
HM14        0.9139532047        0.2092945137        1.3845061925
HM15        1.8355928978        2.4750324013        1.0485886791
HM16        1.0815907670        1.8859747809       -0.4066042325
HM17       -0.9744822503        3.2805379609        0.0880778232
HM18        0.4947843785        4.2462933411       -0.0886750850
HM19       -0.1530933958        3.9298246560        1.5218140170
HM20       -2.1804148766       -0.7807572883       -0.1583147784
           43
Energy of minimum     58=      -60.2679427834 first found at step      226
C82         0.9902857406       -2.1014276593       -3.1865463475
C81        -0.3329247968       -1.8646910523       -2.4309506304
C8         -0.1522802847       -2.0036972198       -0.8948097532
C9         -1.5020837855       -2.0913456971       -0.1295978842
C91        -2.2211875449       -3.4387933972       -0.3420198193
O7          0.6887469151       -0.9333843057       -0.3456005396
C6          0.2160565454        0.4466067891       -0.3621140808
C7          0.9611273112        1.1978653579       -1.4515600910
C2          1.5229397880        2.4191883347       -1.2958414148
C1          2.2202897708        3.1287236536       -2.4267190497
O1B         2.7319917439        4.2209147608       -2.2397588908
O1A         2.2844479621        2.6107800986       -3.5303802377
C3          1.4553163291        3.1561624346        0.0334037357
C4          0.3603009011        2.5992022992        0.9719911789
N4          0.4999761155        3.2112056368        2.3189119062
HAB         0.3012979233        4.2154484737        2.2651097282
HAA        -0.2250567543        2.8286247453        2.9328167028
C5          0.4606546983        1.0543075858        1.0426482193
N5         -0.4664133403        0.4776261826        2.0432422386
HAD        -1.4510785980        0.6572001030        1.9242170881
C10        -0.1012528844       -0.3036523466        3.0793296022
C11        -1.2459241880       -0.7952158841        3.9417686965
O10         1.0656283906       -0.5843057967        3.3011105300
HM1         2.4269337705        3.0812545857        0.5284086097
HM2         1.2617547704        4.2200166242       -0.1236965526
HM3        -0.8780361479       -1.4269309696        4.7540850778
HM4        -1.9513216393       -1.3765186668        3.3429799021
HM5        -1.7832862995        0.0512532006        4.3764234689
HM6        -0.6209420716        2.8562107218        0.5513142440
HM7         1.0078063653        0.7009567901       -2.4161684780
HM8         1.4908175044        0.8136506893        1.3251768744
HM9         1.3510029395       -3.1180121451       -3.0136684422
HM10        1.7658548914       -1.4047709042       -2.8638922719
HM11        0.8385764362       -1.9720384447       -4.2603930597
HM12       -0.7422137825       -0.8842137010       -2.6840382382
HM13       -1.0518001605       -2.6031329072       -2.7897063454
HM14        0.3831850152       -2.9400814495       -0.7085051079
HM15       -1.3155299811       -1.9812463333        0.9401524176
HM16       -2.1705873474       -1.2820643662       -0.4324474806
HM17       -3.1151957038       -3.4867581095        0.2836548461
HM18       -1.5694993230       -4.2716929090       -0.0682180420
HM19       -2.5327018871       -3.5654968298       -1.3802854534
HM20       -0.8556753074        0.4822720274       -0.5798268561
           43
Energy of minimum     59=      -60.2314911068 first found at step      108
C82         3.8742435144       -0.2926480203       -1.3463493333
C81         2.4719946996        0.1550405604       -0.8878889757
C8          1.3253020794       -0.6520416877       -1.5624749665
C9          1.3204430842       -0.5718788633       -3.1137108868
C91         1.2226074053        0.8641944227       -3.6723915678
O7          0.0376461954       -0.1655205926       -1.0827215011
C6         -0.3900343486       -0.6102442779        0.2316266310
C7         -1.0430331665       -1.9728896371        0.0940354727
C2         -2.2048160660       -2.3239049184        0.6937834106
C1         -2.7929335762       -3.7027322842        0.5485011895
O1B        -3.8542060321       -3.9741237945        1.0866843315
O1A        -2.2152325749       -4.5499867642       -0.1140855707
C3         -2.9784218797       -1.3427166655        1.5655064843
C4         -2.1372338966       -0.1215674279        2.0094173722
N4         -3.0247532858        0.9072653609        2.6108671537
HAB        -3.4373859702        0.5417806116        3.4749630777
HAA        -2.4451356414        1.6970472928        2.9095913716
C5         -1.3586504646        0.4536325951        0.7981319765
N5         -0.6710174562        1.7428312339        1.0612847122
HAD        -0.9071156365        2.5133685417        0.4550015583
C10         0.2849043502        1.9714668937        1.9854518651
C11         0.8555612817        3.3745918800        1.9715217531
O10         0.6572631092        1.1142594233        2.7693719104
HM1        -3.8517110511       -0.9938537586        1.0083817510
HM2        -3.3558508173       -1.8395846070        2.4624927679
HM3         0.0648099661        4.1077051178        2.1490460209
HM4         1.3094806084        3.5888093947        1.0007092796
HM5         1.6186134781        3.4927477965        2.7448945728
HM6        -1.4077342592       -0.4625034500        2.7548547227
HM7        -0.5060925842       -2.6919787901       -0.5211994011
HM8        -2.1048881101        0.6381147276        0.0176394502
HM9         4.6404143788        0.2282747360       -0.7679179412
HM10        4.0381512386       -0.0635572046       -2.4011622938
HM11        4.0041141100       -1.3668670204       -1.1960832971
HM12        2.4212059570        0.0233509090        0.1947330644
HM13        2.3518175770        1.2240184381       -1.0790643082
HM14        1.4297478501       -1.7060898643       -1.2875570889
HM15        2.2177054445       -1.0508277752       -3.5116855147
HM16        0.4744156346       -1.1518269334       -3.4913293218
HM17        2.1042690902        1.4518014569       -3.4092231053
HM18        0.3351767883        1.3742752205       -3.2914139145
HM19        1.1542453870        0.8350462788       -4.7620485836
HM20        0.4721135889       -0.6922785547        0.8998156722
           43
Energy of minimum     60=      -60.2046871868 first found at step       60
C82         2.8818872162       -2.2004422125        0.4895972573
C81         3.2989192442       -0.7485744398        0.1804171795
C8          2.0911213371        0.1339843851       -0.2213888360
C9          2.5671810964        1.5589648267       -0.6236522217
C91         1.8421896200        2.0878414344       -1.8776250509
O7          1.1862489250        0.1883310845        0.9252139188
C6         -0.1437034212        0.7604427329        0.7879870043
C7         -0.5661413247        1.0880129009        2.2080223589
C2         -1.7296027027        0.7030517612        2.7810275385
C1         -2.0899116024        1.0812230821        4.1938179015
O1B        -3.1401348166        0.6955867851        4.6814359670
O1A        -1.3278373291        1.7641347521        4.8597439664
C3         -2.7534948743       -0.1051918996        2.0018007784
C4         -2.5751973233        0.0545660665        0.4757736542
N4         -3.5307048906       -0.8354489873       -0.2369312758
HAB        -3.3422750083       -1.8112427905        0.0095845068
HAA        -4.4842192770       -0.6555776431        0.0928156787
C5         -1.1021920366       -0.2394784012        0.0787780022
N5         -0.9332018716       -0.2180451992       -1.3917417580
HAD        -1.0935592578        0.6579338038       -1.8631332780
C10        -0.7108338506       -1.3007926219       -2.1624794719
C11        -0.6644822107       -1.0250833971       -3.6511117380
O10        -0.5428906636       -2.4109822095       -1.6848543720
HM1        -2.6618027668       -1.1595593610        2.2749860832
HM2        -3.7691528877        0.2039422008        2.2607218764
HM3        -0.4716866062       -1.9432907195       -4.2114367101
HM4         0.1272027835       -0.3068605083       -3.8785921711
HM5        -1.6150570935       -0.6049693959       -3.9888431372
HM6        -2.7941564897        1.0984479205        0.2155678361
HM7         0.1527953405        1.6796753794        2.7726478395
HM8        -0.8563002215       -1.2374523121        0.4566320411
HM9         3.7630545196       -2.8022175433        0.7227580499
HM10        2.3805437277       -2.6482201562       -0.3714665013
HM11        2.2063755186       -2.2424713183        1.3468681634
HM12        3.8053960225       -0.3198519515        1.0493652784
HM13        4.0216524450       -0.7675145972       -0.6393851000
HM14        1.6021092359       -0.3483433736       -1.0692744256
HM15        2.4275627806        2.2571774069        0.2057503117
HM16        3.6376897849        1.5484684642       -0.8439910742
HM17        2.2294038635        3.0733232767       -2.1456195368
HM18        0.7685524510        2.1813946144       -1.7124757200
HM19        2.0044474943        1.4173165615       -2.7247257619
HM20       -0.0957948799        1.6977915989        0.2274149482
           43
Energy of minimum     61=      -60.1815570248 first found at step      531
C82        -0.5646409302        4.0487764959        0.6945735734
C81        -0.9254657811        2.9927294005       -0.3719345817
C8         -0.8389879432        1.5242152494        0.1307786127
C9         -1.7503296662        1.2171909270        1.3484599656
C91        -3.2472479573        1.4269937764        1.0465535553
O7          0.5417580752        1.2282199569        0.5059656713
C6          1.2754244232        0.2259330352       -0.2563459946
C7          1.3099105061        0.6192372278       -1.7213526989
C2          1.1588123517       -0.2541816435       -2.7430870311
C1          1.2344305401        0.1778496229       -4.1836891415
O1B         1.0734382319       -0.6394296450       -5.0756384028
O1A         1.4457496245        1.3471747599       -4.4635469655
C3          0.9333322401       -1.7368676328       -2.4826526589
C4          1.3290941801       -2.1648131360       -1.0485501256
N4          0.9053287723       -3.5686586843       -0.8154720606
HAB         1.4458723210       -4.1983633168       -1.4168753534
HAA         1.1552124626       -3.8323499267        0.1416994947
C5          0.7002055222       -1.1952197790       -0.0124436458
N5          0.9411159233       -1.6142986507        1.3871140146
HAD         1.8329552287       -1.3790559021        1.7945139315
C10         0.0492377939       -2.2429339061        2.1787749763
C11         0.5367121495       -2.5306740037        3.5838523762
O10        -1.0641255983       -2.5498931114        1.7855784822
HM1        -0.1216424415       -1.9687962149       -2.6497213813
HM2         1.5053582481       -2.3428009802       -3.1894922483
HM3         1.4256644010       -3.1656041782        3.5541592498
HM4        -0.2344021736       -3.0398060981        4.1673595225
HM5         0.7982570642       -1.5992362230        4.0921067533
HM6         2.4210470135       -2.0945421571       -0.9555972416
HM7         1.4918731128        1.6741530154       -1.9179272395
HM8        -0.3771583618       -1.1754426336       -0.1998723543
HM9        -0.5778462367        5.0459399863        0.2491851245
HM10        0.4342601495        3.8725108415        1.0994609826
HM11       -1.2828717925        4.0417607981        1.5167119634
HM12       -1.9308805990        3.1945371602       -0.7475154476
HM13       -0.2553478900        3.1178729168       -1.2250311153
HM14       -1.1415131380        0.8722354352       -0.6941368843
HM15       -1.6081034377        0.1758890854        1.6407298627
HM16       -1.4635134764        1.8256728522        2.2091322144
HM17       -3.5483318281        0.8494083359        0.1695392157
HM18       -3.4700494976        2.4805031108        0.8662669344
HM19       -3.8496744728        1.0976284811        1.8959847819
HM20        2.3070828870        0.2365353523        0.1123813133
           43
Energy of minimum     62=      -60.1421750914 first found at step       72
C82         2.1530654810       -0.7962156784        3.5912741008
C81         2.2669487029       -1.0752017338        2.0784852037
C8          0.8896008215       -1.0411013517        1.3698972357
C9          0.0311844295       -2.2965321145        1.7024705839
C91        -1.4103098735       -1.9195012638        2.0961836182
O7          1.1501007475       -0.9590062917       -0.0645277827
C6          0.0570714235       -0.6749104685       -0.9818944788
C7          0.5300397590       -1.2056203391       -2.3223392136
C2          0.5315908427       -0.5035463850       -3.4789825188
C1          0.9994077899       -1.1032153146       -4.7789895348
O1B         1.0058682438       -0.4295487855       -5.7966479351
O1A         1.3854817583       -2.2608687762       -4.8167744628
C3          0.0202262535        0.9267359672       -3.5255543342
C4         -0.9245607102        1.2415163986       -2.3455184306
N4         -1.2948008950        2.6796847288       -2.3664771208
HAB        -1.8858328538        2.8684042417       -1.5519297715
HAA        -0.4565182020        3.2445372391       -2.2019471528
C5         -0.2543257451        0.8487418059       -1.0022807104
N5         -1.0921973665        1.2549764468        0.1500429228
HAD        -1.9578653619        0.7570456400        0.2950983544
C10        -0.7999777326        2.2518605116        1.0093512829
C11        -1.8154448991        2.4628275512        2.1121927474
O10         0.2136408397        2.9202804161        0.8977464153
HM1         0.8702738426        1.6133673909       -3.5093563866
HM2        -0.5233183504        1.1158217356       -4.4543940857
HM3        -1.9164589291        1.5545903702        2.7115853488
HM4        -2.7928530019        2.7027376720        1.6864899508
HM5        -1.5118575863        3.2811949198        2.7697004969
HM6        -1.8311461949        0.6336642031       -2.4631332054
HM7         0.8859623926       -2.2346159399       -2.3057883878
HM8         0.7093006409        1.3680222886       -0.9527983205
HM9         3.1460055288       -0.7873641409        4.0461748658
HM10        1.5577175534       -1.5604720974        4.0944580444
HM11        1.6885818035        0.1766394479        3.7682692093
HM12        2.9173256467       -0.3128293128        1.6414375111
HM13        2.7499396382       -2.0429012325        1.9185915949
HM14        0.3765649534       -0.1356156726        1.6978226574
HM15        0.0079203165       -2.9800205407        0.8497830422
HM16        0.4715113925       -2.8575238130        2.5294906613
HM17       -1.9209014190       -1.4028344442        1.2820880929
HM18       -1.4099091793       -1.2686480470        2.9736906641
HM19       -1.9807562767       -2.8187572375        2.3387671299
HM20       -0.8362962244       -1.2357979936       -0.6917579022
           43
Energy of minimum     63=      -60.0865014437 first found at step       95
C82         2.9616090506        1.7707327500       -0.8317954583
C81         1.8426586872        1.3440595001        0.1398829278
C8          0.4129441090        1.6123720832       -0.4140582269
C9          0.1715170323        3.0848898709       -0.8448493569
C91         0.3784301037        4.1129532328        0.2883992953
O7         -0.6314409277        1.2715275406        0.5574718925
C6         -0.8195027281       -0.0902728905        1.0525700868
C7          0.1613144557       -0.3718130784        2.1725713510
C2          0.7520270618       -1.5725173606        2.3728694999
C1          1.6988575382       -1.8172611203        3.5177665020
O1B         2.2280311808       -2.9091839512        3.6492387527
O1A         1.9442760024       -0.9248696729        4.3139497161
C3          0.4749108936       -2.7527731775        1.4503775907
C4         -0.7904047014       -2.5638784589        0.5772878414
N4         -0.8515514436       -3.6326197859       -0.4520762673
HAB        -1.6908236400       -3.4933325521       -1.0222903635
HAA        -0.9855825872       -4.5423981224        0.0009196829
C5         -0.7817850705       -1.1569679759       -0.0728069313
N5         -1.8982988240       -0.9584581741       -1.0248948266
HAD        -2.8302740995       -0.9012216217       -0.6436689606
C10        -1.7675799271       -0.8190388839       -2.3589438947
C11        -3.0661735022       -0.6131739159       -3.1106536058
O10        -0.6783212382       -0.8517776336       -2.9074415741
HM1         1.3407697731       -2.8993314630        0.7995868106
HM2         0.3563977581       -3.6724333656        2.0284494043
HM3        -3.5713777937        0.2878648648       -2.7540390469
HM4        -3.7335340066       -1.4643452853       -2.9545998538
HM5        -2.8829512562       -0.5073083214       -4.1828044827
HM6        -1.6727378295       -2.6308715870        1.2275992433
HM7         0.3626442614        0.4649658229        2.8392186572
HM8         0.1710342556       -1.0701084862       -0.6019722582
HM9         3.9319379611        1.4475087954       -0.4484686355
HM10        2.9944717370        2.8556021750       -0.9492978505
HM11        2.8135693840        1.3150578172       -1.8135739706
HM12        1.9650736936        0.2733247257        0.3119221094
HM13        1.9840032747        1.8468007029        1.0996387990
HM14        0.2732721753        0.9997865093       -1.3072204276
HM15        0.8220347647        3.3385617622       -1.6845823878
HM16       -0.8517947565        3.1774818269       -1.2177780825
HM17        1.4151080352        4.1219228266        0.6304607029
HM18       -0.2685341100        3.8931041267        1.1404100355
HM19        0.1359873235        5.1156142056       -0.0704283418
HM20       -1.8202120706       -0.1181742545        1.4976539026
           43
Energy of minimum     64=      -60.0598091054 first found at step       24
C82         2.3158996611        2.0419774548       -2.8706489778
C81         1.9996677053        0.5539059022       -2.6011997448
C8          0.6564808484        0.3184116495       -1.8613085829
C9         -0.5559685845        0.8148294509       -2.7016801702
C91        -1.7513583436       -0.1581068374       -2.6508650624
O7          0.7413337509        1.0054874979       -0.5740561119
C6         -0.2691897481        0.7920864784        0.4492765713
C7         -0.1433441208        1.9961268384        1.3639061533
C2          0.0136487869        1.9399976383        2.7061288592
C1          0.1135818678        3.1811617355        3.5536306145
O1B         0.0438737335        4.2847634415        3.0360622831
O1A         0.2760417959        3.0878306888        4.7596376425
C3          0.0577653749        0.6053588760        3.4298595113
C4         -0.6189524863       -0.5179137686        2.6145935976
N4         -0.4353838328       -1.8162760436        3.3134255004
HAB        -0.8865520062       -2.5528440790        2.7637360396
HAA        -0.9391765154       -1.8029883810        4.2059842812
C5         -0.0383308247       -0.5650457918        1.1761513448
N5         -0.6058246619       -1.7015319329        0.4125403502
HAD        -1.5974346954       -1.6883006056        0.2283956472
C10         0.0864365698       -2.7789574819       -0.0096255770
C11        -0.7387837166       -3.8243520836       -0.7305148416
O10         1.2881075659       -2.8867275865        0.1691420917
HM1         1.0988888857        0.3369212119        3.6260468054
HM2        -0.4416551916        0.6713238225        4.3993478211
HM3        -0.1139681495       -4.6627138541       -1.0483171154
HM4        -1.2124654740       -3.3899727601       -1.6142482526
HM5        -1.5244528779       -4.2059128985       -0.0737929875
HM6        -1.6907125402       -0.2910201109        2.5394413776
HM7        -0.1879033078        2.9592554157        0.8578843601
HM8         1.0442835802       -0.6974027791        1.2748322192
HM9         3.2737867011        2.1305571176       -3.3878577299
HM10        2.3844509628        2.6045858837       -1.9370816700
HM11        1.5511094610        2.5029141433       -3.4989933039
HM12        1.9855279561        0.0149537260       -3.5519325772
HM13        2.8117530381        0.1213721667       -2.0111779895
HM14        0.5720442629       -0.7571448246       -1.6999364560
HM15       -0.8708849768        1.8075750600       -2.3697986759
HM16       -0.2656846199        0.9110415803       -3.7508861326
HM17       -1.4567166010       -1.1448276520       -3.0153872461
HM18       -2.5594884346        0.2103518963       -3.2865498036
HM19       -2.1429709974       -0.2665659039       -1.6395625208
HM20       -1.2674798010        0.8158156988        0.0053984587
           43
Energy of minimum     65=      -60.0154295277 first found at step       29
C82        -1.0116585996        2.9944292692        1.1303810331
C81        -0.3443011350        3.2188022771       -0.2402563566
C8          0.4034389760        1.9616589594       -0.7505872069
C9          1.1503638806        2.3046758670       -2.0677850333
C91         2.0702307137        1.1761342889       -2.5721678211
O7         -0.5782592691        0.9060365668       -0.9795868981
C6         -0.1715123629       -0.4647971197       -0.7207779517
C7         -0.8629431108       -1.3129062763       -1.7699956232
C2         -1.5237834922       -2.4666211946       -1.5166814660
C1         -2.1667261794       -3.2760674492       -2.6119897893
O1B        -2.7739050957       -4.2992403491       -2.3397889333
O1A        -2.0924000580       -2.9066575632       -3.7733058790
C3         -1.6337815042       -3.0215499180       -0.1038951458
C4         -0.5895702446       -2.4152636619        0.8617753680
N4         -0.8899785085       -2.8324924084        2.2561981522
HAB        -0.2124571544       -2.3792624565        2.8761683017
HAA        -1.7958650801       -2.4504550887        2.5423144668
C5         -0.5672656573       -0.8692286185        0.7245541413
N5          0.2502512661       -0.2005660716        1.7683615859
HAD        -0.2340805194        0.4232317995        2.3968328481
C10         1.5792197030       -0.3404624068        1.9601114332
C11         2.1441242458        0.4854157898        3.0967223923
O10         2.2673690653       -1.0703964417        1.2673895655
HM1        -2.6394579028       -2.8245300225        0.2758030480
HM2        -1.5038027346       -4.1064972319       -0.1037333113
HM3         1.6572851020        0.2184475623        4.0379372978
HM4         1.9736330590        1.5490195246        2.9124852353
HM5         3.2190859651        0.3193896146        3.2023878937
HM6         0.3982390204       -2.7962716454        0.5737986889
HM7        -0.7887324300       -0.9342699715       -2.7879847783
HM8        -1.6016862614       -0.5312405624        0.8547839267
HM9        -1.5115060835        3.9088021679        1.4575122462
HM10       -0.2654066542        2.7280416582        1.8818516358
HM11       -1.7589412211        2.1996309238        1.0788934143
HM12       -1.1020595345        3.5231736383       -0.9671854309
HM13        0.3620934646        4.0474613769       -0.1460632023
HM14        1.1272086648        1.6521104406        0.0082492744
HM15        0.4307744869        2.5617367667       -2.8495560688
HM16        1.7688610810        3.1904030253       -1.9018442942
HM17        2.6601663749        1.5273652123       -3.4216042032
HM18        1.4892125945        0.3142013836       -2.9044147336
HM19        2.7591572230        0.8578164983       -1.7863911896
HM20        0.9093659066       -0.5692081533       -0.8489166329
           43
Energy of minimum     66=      -59.9513129424 first found at step       34
C82        -1.7765514203       -2.8711318037        0.1543033737
C81        -1.6819802419       -2.1134156868       -1.1852657745
C8         -0.2413424884       -1.6948292382       -1.5998225338
C9          0.7105096496       -2.9054918243       -1.8245544476
C91         1.5532217739       -3.3223011037       -0.5969588711
O7          0.3345798526       -0.7715109891       -0.6261715491
C6         -0.1112141713        0.6103084753       -0.6660951088
C7          0.6411914578        1.3299621991       -1.7720592389
C2          1.1885074274        2.5613521739       -1.6432982822
C1          1.9004717714        3.2426466661       -2.7821744228
O1B         2.3995501926        4.3442630309       -2.6182346615
O1A         1.9881467557        2.6926459182       -3.8685948154
C3          1.0965126837        3.3365105551       -0.3358133373
C4          0.0145024295        2.7798436248        0.6202576838
N4          0.1269884428        3.4358205228        1.9504826698
HAB         1.0517990012        3.2500877250        2.3492162214
HAA         0.0853090140        4.4539661184        1.8390323622
C5          0.1497758908        1.2380288534        0.7235416798
N5         -0.7491222075        0.6562561003        1.7450741731
HAD        -1.7298421416        0.8751661627        1.6776232718
C10        -0.3575623041       -0.1179688018        2.7754481996
C11        -1.4780327862       -0.5909553903        3.6793149352
O10         0.8137738702       -0.4071223077        2.9612989877
HM1         2.0702107991        3.3053868037        0.1599814815
HM2         0.8732756194        4.3888473605       -0.5286476294
HM3        -1.0915982521       -1.2311971191        4.4761922021
HM4        -2.2154143033       -1.1581851607        3.1059429855
HM5        -1.9838290302        0.2639044482        4.1349005631
HM6        -0.9699472102        3.0049932430        0.1894707826
HM7         0.7149238676        0.7978787621       -2.7180863998
HM8         1.1885080085        1.0153767043        0.9888329539
HM9        -1.2785669337       -2.3214055439        0.9547825306
HM10       -1.3289783922       -3.8633157528        0.0734495163
HM11       -2.8241742716       -3.0027225795        0.4336077662
HM12       -2.1099862979       -2.7401879764       -1.9714869249
HM13       -2.3162296396       -1.2263388343       -1.1291013317
HM14       -0.3253818919       -1.1808227013       -2.5618283259
HM15        0.1338961024       -3.7655452006       -2.1742576965
HM16        1.4003302253       -2.6534884300       -2.6338448426
HM17        2.1386048036       -4.2129932077       -0.8354670068
HM18        0.9286317442       -3.5525770440        0.2663883770
HM19        2.2524986274       -2.5313023528       -0.3168190576
HM20       -1.1859660266        0.6515636014       -0.8705604587
           43
Energy of minimum     67=      -59.9298593859 first found at step     1354
C82        -3.6441210563       -0.5310789726       -0.2078845064
C81        -2.4832884537       -0.3548345841        0.7900954009
C8         -1.3655268516       -1.4160403890        0.5700792224
C9         -1.3802651657       -2.5333651497        1.6449855102
C91        -2.6507093102       -3.4045993440        1.5911652818
O7         -0.0591078746       -0.7721313815        0.6250584931
C6          0.3587516326       -0.0425517837       -0.5597486889
C7          0.9643392603       -1.0296109905       -1.5418824488
C2          2.1030431335       -0.8054821105       -2.2385337160
C1          2.6483580731       -1.8061364252       -3.2229948547
O1B         3.6902498481       -1.5744498649       -3.8148047610
O1A         2.0557232356       -2.8541604324       -3.4251215580
C3          2.8886945999        0.4887627954       -2.0753125775
C4          2.0671164530        1.6099782877       -1.3948818210
N4          2.9496063022        2.7630964765       -1.0732240924
HAB         3.4324237840        3.0766649005       -1.9215198044
HAA         3.6960967694        2.4608744091       -0.4404129373
C5          1.3645868960        1.0524505414       -0.1290774359
N5          0.6870778971        2.1116747335        0.6509290371
HAD         0.1551268608        2.7953754727        0.1369503786
C10         0.7296422374        2.2403066551        1.9910651658
C11        -0.0934785818        3.3839337794        2.5479032400
O10         1.3913590303        1.4929333543        2.6936853108
HM1         3.7843371406        0.2839592648       -1.4830635038
HM2         3.2290136836        0.8558619949       -3.0468503025
HM3        -1.1469005477        3.2538991091        2.2874785518
HM4         0.2471150218        4.3350622064        2.1312283311
HM5        -0.0084404264        3.4312940243        3.6363995724
HM6         1.2894452123        1.9369660596       -2.0976040503
HM7         0.4152833860       -1.9592581409       -1.6774415347
HM8         2.1276790651        0.5754256052        0.4951109443
HM9        -3.2878156290       -0.4149487311       -1.2340926483
HM10       -4.1019341673       -1.5172113371       -0.1103515650
HM11       -4.4138526382        0.2222805322       -0.0265070730
HM12       -2.0847732446        0.6555578853        0.6708502093
HM13       -2.8712827924       -0.4127466493        1.8101862297
HM14       -1.4821387330       -1.8814871276       -0.4136873146
HM15       -0.5141923183       -3.1830439732        1.4938334420
HM16       -1.2848085246       -2.0963848922        2.6426062594
HM17       -3.5376438507       -2.8242551822        1.8529781264
HM18       -2.5684018672       -4.2301988940        2.3014846099
HM19       -2.7881756100       -3.8255340585        0.5924984862
HM20       -0.5082118796        0.4431523267       -1.0215746088
           43
Energy of minimum     68=      -59.9026273345 first found at step      311
C82         0.1428394823       -2.6407062903       -1.4291648780
C81        -1.1761300886       -1.9797767602       -1.8895701870
C8         -1.1556641794       -0.4256960881       -2.0050543889
C9         -0.7483619387        0.0891909300       -3.4127312808
C91         0.6724377596       -0.2992603342       -3.8693795329
O7         -0.3004681060        0.2084212193       -1.0037181422
C6         -0.7428126708        0.2048801096        0.3825335287
C7         -1.8757585906        1.2052156811        0.5560046965
C2         -1.9825085855        2.0616857495        1.5991197682
C1         -3.1435520945        3.0108962232        1.7384817010
O1B        -3.1915203066        3.7817039791        2.6834977181
O1A        -4.0342724199        3.0187963456        0.9035979092
C3         -0.9375850526        2.0986322969        2.7056870523
C4         -0.0258662446        0.8489577279        2.7135637437
N4          1.1013784496        1.0497415419        3.6630753340
HAB         0.7347590295        1.2882839447        4.5902078759
HAA         1.6515819165        1.8651025348        3.3779271367
C5          0.4747602591        0.5589247974        1.2742606527
N5          1.4998197849       -0.5072043091        1.2403335604
HAD         1.3239822464       -1.3341986345        1.7874625308
C10         2.6555053399       -0.4544396103        0.5500988286
C11         3.5148437383       -1.6984176634        0.6498504238
O10         2.9819444907        0.5287706517       -0.0954331818
HM1        -0.3246385600        2.9949884134        2.5802134828
HM2        -1.4177850182        2.1780442176        3.6842448087
HM3         4.4351829605       -1.5833994556        0.0719144062
HM4         2.9718369806       -2.5663316333        0.2677071280
HM5         3.7811367578       -1.8932628464        1.6916486339
HM6        -0.6255502818       -0.0096411948        3.0431751176
HM7        -2.6446600888        1.1960595490       -0.2121958261
HM8         0.9090236917        1.4843305203        0.8815412142
HM9         0.9972314041       -2.3159056602       -2.0222583385
HM10        0.3442935698       -2.4161975619       -0.3818434895
HM11        0.0627522998       -3.7260471017       -1.5208183587
HM12       -1.4690538950       -2.4061466878       -2.8522336953
HM13       -1.9598611036       -2.2646278918       -1.1833119355
HM14       -2.1822882392       -0.0823178109       -1.8559981961
HM15       -1.4668989405       -0.2772327415       -4.1501704371
HM16       -0.8292598140        1.1792306774       -3.4201087093
HM17        1.4178679246       -0.0236887820       -3.1202242345
HM18        0.9178540472        0.2201723949       -4.7982868891
HM19        0.7402372632       -1.3710495468       -4.0641274328
HM20       -1.0967731773       -0.7964809006        0.6504818821
           43
Energy of minimum     69=      -59.8553310579 first found at step      403
C82        -3.5135137904       -1.5755911321       -0.2174382809
C81        -2.0933029717       -2.1512278514       -0.3914678001
C8         -1.1061644491       -1.1143246686       -0.9952443573
C9         -0.8748240865       -1.3082017444       -2.5206520453
C91        -2.1470105922       -1.0993781729       -3.3645278743
O7          0.1691198927       -1.2599960867       -0.3029397420
C6          1.0662316958       -0.1174762849       -0.3133274578
C7          2.4638731161       -0.6740686096       -0.4956671043
C2          3.5411860467       -0.2934779064        0.2292084340
C1          4.9132044015       -0.8630934048       -0.0175600391
O1B         5.8552312231       -0.5086968861        0.6727632529
O1A         5.0858524092       -1.6869779675       -0.9018759825
C3          3.4230143649        0.7546841935        1.3260294893
C4          2.1328660609        1.6005961925        1.2141232666
N4          1.9788535554        2.4370198756        2.4325331085
HAB         1.1193701776        2.9877854677        2.3498984264
HAA         2.7351214051        3.1277585143        2.4762450267
C5          0.9050015044        0.6767948419        1.0090952965
N5         -0.3702658543        1.4301449813        1.0383688435
HAD        -0.4806196589        2.1866570786        0.3803506432
C10        -1.4011312821        1.1757920134        1.8693502936
C11        -2.6079285063        2.0711075351        1.6791569017
O10        -1.3570078670        0.2881393976        2.7049403988
HM1         3.4413510564        0.2526548644        2.2967637986
HM2         4.2791244159        1.4333717304        1.3053702062
HM3        -3.4083429857        1.7983488835        2.3714047974
HM4        -2.9875795274        1.9830229940        0.6581227769
HM5        -2.3368785668        3.1150624165        1.8547372995
HM6         2.2196577540        2.2487962005        0.3319949424
HM7         2.5641891407       -1.4200594277       -1.2825442619
HM8         0.9131648823       -0.0509341896        1.8274138916
HM9        -3.4995391543       -0.7166960865        0.4568456902
HM10       -4.1744633292       -2.3323046444        0.2108610445
HM11       -3.9364631514       -1.2569047995       -1.1711102647
HM12       -1.7422136734       -2.4687598070        0.5941005898
HM13       -2.1347289760       -3.0487747577       -1.0139336126
HM14       -1.4922294250       -0.1079430767       -0.8110480819
HM15       -0.1231387058       -0.5963129534       -2.8689221519
HM16       -0.4790983446       -2.3089527385       -2.7127817975
HM17       -2.8806281050       -1.8841233435       -3.1702296547
HM18       -1.8990128811       -1.1308287844       -4.4277659294
HM19       -2.5998925458       -0.1290722723       -3.1480949572
HM20        0.8395653274        0.5364404160       -1.1625470233
           43
Energy of minimum     70=      -59.8042284772 first found at step      152
C82         2.3898694684       -0.6295438815        3.5133222962
C81         2.4443385027       -0.9226122553        1.9999313933
C8          1.0344364359       -0.9609194769        1.3589620166
C9          0.2495045994       -2.2472288702        1.7497716978
C91        -1.1798361139       -1.9233553519        2.2263680376
O7          1.2188824724       -0.8866568010       -0.0874496954
C6          0.0669029844       -0.6670656364       -0.9487585039
C7          0.4856049043       -1.2162346980       -2.2996054780
C2          0.4154882428       -0.5397922290       -3.4688063335
C1          0.8328368509       -1.1573684682       -4.7776671216
O1B         0.7739950526       -0.5064383237       -5.8083617630
O1A         1.2424583253       -2.3070613338       -4.8104422143
C3         -0.1298963263        0.8771774973       -3.5178708845
C4         -1.0380566349        1.1913537073       -2.3090235673
N4         -1.4334532087        2.6231299293       -2.3451479373
HAB        -2.0228730730        2.7987395694       -3.1651864385
HAA        -2.0331995621        2.8198581518       -1.5389179007
C5         -0.3109331898        0.8423812229       -0.9834715166
N5         -1.1300029135        1.2294044133        0.1896105801
HAD        -2.0207596636        0.7704950565        0.3062345797
C10        -0.7993624536        2.1752619484        1.0919934769
C11        -1.8231175413        2.3976998348        2.1854732702
O10         0.2537948361        2.7873068284        1.0314840188
HM1         0.7044752760        1.5827594235       -3.5399315297
HM2        -0.7082950731        1.0404386353       -4.4302881183
HM3        -1.9864868161        1.4728481522        2.7443702242
HM4        -2.7771551577        2.7100567613        1.7537437194
HM5        -1.4874197690        3.1697497582        2.8822441451
HM6        -1.9349375075        0.5616666859       -2.3790909147
HM7         0.8649331025       -2.2367408269       -2.2793156917
HM8         0.6258352204        1.4096762041       -0.9766123008
HM9         3.4018541267       -0.5689444576        3.9197122874
HM10        1.8555097606       -1.4139309782        4.0527115438
HM11        1.8892852449        0.3229936977        3.7019910190
HM12        3.0369960430       -0.1370300582        1.5236725916
HM13        2.9634268689       -1.8692324984        1.8274253795
HM14        0.4971418987       -0.0752049863        1.7000790933
HM15        0.2024468544       -2.9382862537        0.9042028723
HM16        0.7607738591       -2.7833850458        2.5521279001
HM17       -1.7561844954       -1.4302894098        1.4419066353
HM18       -1.1528049421       -1.2681189363        3.1001882337
HM19       -1.7004520293       -2.8422393953        2.5047766702
HM20       -0.7855644595       -1.2553173051       -0.5963557719
           43
Energy of minimum     71=      -59.7578181179 first found at step       58
C82         3.0194120433       -0.8339485404       -0.5502380193
C81         2.7476467657       -1.2174432154        0.9170525746
C8          1.5532171553       -0.4347662780        1.5223794840
C9          1.3011514905       -0.8101501897        3.0054551700
C91         2.4062672009       -0.2946479932        3.9489332388
O7          0.3417372514       -0.7466331335        0.7726189942
C6         -0.2963695785        0.3528771488        0.0673411447
C7         -0.9388256986        1.2897051583        1.0781078277
C2         -2.2019745543        1.7675884738        0.9867449439
C1         -2.7705543811        2.7203304792        2.0055929942
O1B        -3.9219846597        3.1114851614        1.9012898333
O1A        -2.0858252696        3.0972010831        2.9434866287
C3         -3.1124320170        1.3853207082       -0.1715605733
C4         -2.3385627825        0.8231911647       -1.3865758850
N4         -3.2976355164        0.2611448722       -2.3728791988
HAB        -3.8801567466        1.0142238188       -2.7523107624
HAA        -2.7659238892       -0.0895130634       -3.1747200570
C5         -1.3267638309       -0.2546315487       -0.9164611170
N5         -0.6717524384       -1.0018563432       -2.0195425343
HAD        -0.7637713497       -2.0060742788       -2.0028020769
C10         0.0570545608       -0.4772206863       -3.0265743014
C11         0.6194791838       -1.4947520704       -3.9978401188
O10         0.2482303469        0.7219276171       -3.1415532645
HM1        -3.8307277750        0.6385840814        0.1764034795
HM2        -3.6924782800        2.2478808739       -0.5082132705
HM3        -0.1907296170       -2.0541384505       -4.4720253944
HM4         1.2637649616       -2.2045922276       -3.4731375357
HM5         1.2067963857       -1.0050613826       -4.7785794208
HM6        -1.7768007072        1.6473368311       -1.8438280935
HM7        -0.3059566941        1.5911159939        1.9097923116
HM8        -1.9094917960       -0.9798432014       -0.3380554544
HM9         2.1859021251       -1.1267761279       -1.1897576956
HM10        3.1740064480        0.2432291810       -0.6460968954
HM11        3.9159628546       -1.3425504601       -0.9113573947
HM12        2.5638848047       -2.2929860162        0.9831238112
HM13        3.6526175257       -1.0088718506        1.4908657031
HM14        1.7633444821        0.6378435913        1.4585133371
HM15        0.3505667803       -0.3794353150        3.3297898399
HM16        1.2138445898       -1.8949972512        3.1084051171
HM17        3.3610221883       -0.7836240501        3.7468848667
HM18        2.1373480183       -0.5015536716        4.9871272538
HM19        2.5350409941        0.7845366207        3.8385761092
HM20        0.4604194254        0.9005444874       -0.5043755998
           43
Energy of minimum     72=      -59.7376816586 first found at step      478
C82        -2.1696960604       -2.3924717987        1.9249675976
C81        -0.6551440725       -2.5163367943        2.2004254965
C8          0.1964295208       -1.3872160906        1.5576928523
C9         -0.1995067788        0.0416958650        2.0305515863
C91        -0.1821779810        0.2054539723        3.5639592485
O7          0.0836120873       -1.5468048037        0.1035412129
C6          0.8772506370       -0.7573703134       -0.8350009043
C7          2.2654621987       -0.4609968811       -0.2954167720
C2          2.8887879349        0.7321463295       -0.4353786555
C1          4.2811444945        0.9726158040        0.0851327126
O1B         4.8020083386        2.0684469804       -0.0461015160
O1A         4.8876070417        0.0767406678        0.6508613510
C3          2.2189213691        1.8894301581       -1.1654334455
C4          1.0539016024        1.4288490284       -2.0746497840
N4          0.3389892467        2.6086420601       -2.6229328630
HAB        -0.4413945070        2.2703679786       -3.1932317591
HAA        -0.1178533651        3.1087488245       -1.8548258130
C5          0.0989806215        0.5093585149       -1.2718411946
N5         -1.1221075895        0.1405600689       -2.0214710345
HAD        -1.0546997523       -0.6240755538       -2.6757999435
C10        -2.3370007778        0.6936826998       -1.8385126403
C11        -3.4472549072        0.0953875569       -2.6767488837
O10        -2.5123083164        1.6112257546       -1.0538552120
HM1         1.8449901884        2.6051143649       -0.4289928681
HM2         2.9416068403        2.4240630584       -1.7866178978
HM3        -3.2164744682        0.1974285545       -3.7400129707
HM4        -4.3981566106        0.5958417257       -2.4777842303
HM5        -3.5604184131       -0.9679598469       -2.4514728119
HM6         1.4755254976        0.8447226737       -2.9031238000
HM7         2.7663997513       -1.2911141498        0.1993971401
HM8        -0.1953413536        1.0592992122       -0.3771157346
HM9        -2.6966724168       -3.2477071797        2.3535840131
HM10       -2.3733354552       -2.3729013890        0.8520543080
HM11       -2.5812843987       -1.4867886168        2.3745103593
HM12       -0.4856600081       -2.5442645819        3.2789378013
HM13       -0.3085441776       -3.4790474295        1.8159242105
HM14        1.2350456348       -1.5669965608        1.8491451828
HM15        0.5145503091        0.7622278902        1.6280368818
HM16       -1.1863868604        0.3126523397        1.6482139058
HM17       -0.3435040828        1.2527020407        3.8289326049
HM18        0.7814554887       -0.1056166107        3.9739103548
HM19       -0.9713915001       -0.3827249550        4.0361989783
HM20        1.0036450502       -1.3770105681       -1.7296570638
           43
Energy of minimum     73=      -59.7081825018 first found at step      227
C82         1.7324251452       -1.5066848263       -3.4312160138
C81         2.2367855481       -0.5929868842       -2.2958689398
C8          1.2332014756        0.5518768157       -1.9916616345
C9          1.9010659795        1.7116784719       -1.2053871957
C91         1.0718312256        3.0071416452       -1.2974537507
O7          0.0212952168        0.0735501722       -1.3101961391
C6          0.1234773097       -0.6089602095       -0.0228677663
C7         -0.0925886386       -2.0946243601       -0.2615279853
C2         -0.9246161548       -2.8801644683        0.4610510460
C1         -1.0694077466       -4.3548412639        0.1901451125
O1B        -1.8460162281       -5.0241908837        0.8522791725
O1A        -0.4202923985       -4.8828870558       -0.6987683637
C3         -1.7345375509       -2.3141589760        1.6165332874
C4         -1.1601216838       -0.9757257209        2.1326637784
N4         -2.0697381593       -0.4017673795        3.1603487879
HAB        -2.9802468834       -0.1996556872        2.7376637402
HAA        -2.2583058218       -1.0998639194        3.8863675666
C5         -0.9375300051       -0.0084795611        0.9370333290
N5         -0.5536527395        1.3474058894        1.3873456565
HAD         0.3814973218        1.4732354475        1.7389062095
C10        -1.3904905878        2.4010386023        1.4626616416
C11        -0.7875097118        3.6549644931        2.0632137077
O10        -2.5441604321        2.3413376714        1.0671926077
HM1        -2.7675928648       -2.1684878791        1.2903278037
HM2        -1.7607249746       -3.0194444390        2.4509248274
HM3        -0.4824757640        3.4705350205        3.0961904669
HM4        -1.5087178231        4.4759472764        2.0553247610
HM5         0.0946151969        3.9636399070        1.4974683110
HM6        -0.1836166475       -1.1783833501        2.5917702843
HM7         0.4933607659       -2.5297634029       -1.0649655314
HM8        -1.8778054152        0.0524874905        0.3790104559
HM9         2.4307862856       -2.3313561095       -3.5896440956
HM10        1.6526329013       -0.9444079543       -4.3644559079
HM11        0.7510224867       -1.9254926407       -3.2032571958
HM12        2.4484852413       -1.1802933955       -1.4000933192
HM13        3.1894310194       -0.1646396055       -2.6170040954
HM14        0.9192837825        0.9634684742       -2.9563150913
HM15        2.0567639796        1.4416520585       -0.1591631314
HM16        2.8882528490        1.9183488113       -1.6258400932
HM17        1.5323805207        3.7939944748       -0.6961701548
HM18        0.0529842689        2.8510740523       -0.9412989807
HM19        1.0210641972        3.3545153007       -2.3319344608
HM20        1.1175055142       -0.4606321023        0.4106672929
           43
Energy of minimum     74=      -59.6733798516 first found at step      135
C82        -1.5129590099        0.2336292656       -3.7797392671
C81        -0.7046980230       -0.1773093141       -2.5339829827
C8         -0.1784030197        1.0326636968       -1.7101467080
C9          0.8229409890        1.9181269873       -2.5025287118
C91         0.1558498192        3.1846648470       -3.0762067924
O7          0.5131397699        0.5297577494       -0.5294403863
C6         -0.3108289122        0.1482832241        0.6039005423
C7         -0.6097708814        1.3950942207        1.4166283578
C2         -0.5518620243        1.4518206512        2.7677780290
C1         -0.8851945528        2.7067038648        3.5306131674
O1B        -0.7991658177        2.7217816287        4.7479219685
O1A        -1.2335078142        3.7134226662        2.9342892877
C3         -0.1607675431        0.2341923001        3.5946812305
C4         -0.2475174031       -1.0891916075        2.7967496721
N4          0.3487113500       -2.1993620242        3.5866296558
HAB        -0.1043800719       -2.2531606425        4.5047111168
HAA         1.3310562471       -1.9911012681        3.7883123042
C5          0.4519133949       -0.9210614665        1.4223206945
N5          0.5352448939       -2.1940352087        0.6725607491
HAD        -0.2857030615       -2.7775895852        0.6600081414
C10         1.6205621349       -2.6379908472        0.0096941747
C11         1.4273825372       -3.9500515328       -0.7228611143
O10         2.6772837991       -2.0269086901        0.0126961506
HM1         0.8599491711        0.3713513112        3.9610159877
HM2        -0.8032753183        0.1457036785        4.4743494412
HM3         2.3466103819       -4.2514085542       -1.2312922060
HM4         0.6340275761       -3.8539299315       -1.4683709766
HM5         1.1440130128       -4.7385869655       -0.0213047458
HM6        -1.3077649963       -1.3072838317        2.6128335534
HM7        -0.8959683964        2.2749665196        0.8436224122
HM8         1.4628577818       -0.5413208144        1.6047142265
HM9        -2.3230987105        0.9142073062       -3.5079236909
HM10       -0.8746225222        0.7201955469       -4.5197069130
HM11       -1.9520923807       -0.6500721167       -4.2479317254
HM12       -1.3518031066       -0.7938640416       -1.9064173254
HM13        0.1323657749       -0.8085970606       -2.8438267620
HM14       -1.0213965814        1.6507127780       -1.3850439031
HM15        1.6344727987        2.2414933317       -1.8449488566
HM16        1.2839421350        1.3465327566       -3.3122111118
HM17       -0.6516043307        2.9348511590       -3.7658729067
HM18        0.8916262595        3.7833562808       -3.6176505534
HM19       -0.2558652478        3.7982013161       -2.2715079806
HM20       -1.2517001015       -0.2888875834        0.2528847564
           43
Energy of minimum     75=      -59.6418988266 first found at step        9
C82        -2.5822328536        0.8601976055       -1.6287734698
C81        -3.0372741700       -0.2511855964       -0.6636692637
C8         -1.8606959499       -1.1459504260       -0.1941776700
C9         -2.3305406341       -2.2742911955        0.7597084839
C91        -3.1603375546       -3.3573430261        0.0416788598
O7         -0.8911566431       -0.3293016228        0.5267947199
C6          0.4388572158       -0.2244305365       -0.0503717775
C7          1.1596640103       -1.5541253204        0.1080726699
C2          2.4259170113       -1.6908918614        0.5674556175
C1          3.0965291536       -3.0357000678        0.6708871010
O1B         4.2312068407       -3.1206355621        1.1124172279
O1A         2.5048420886       -4.0455320575        0.3235312405
C3          3.2545362810       -0.4830335927        0.9823355716
C4          2.7020174426        0.8458734799        0.4174281488
N4          3.4183539232        1.9942663485        1.0312478066
HAB         3.2300258838        2.0180231832        2.0374585128
HAA         2.9990181206        2.8567156859        0.6716681162
C5          1.1733499761        0.9323333910        0.6704664617
N5          0.5773006229        2.2559583746        0.3596806219
HAD         0.0605566412        2.7068724258        1.0999686719
C10         0.6108119699        2.8947152188       -0.8288907297
C11        -0.1167233708        4.2231292155       -0.8535900467
O10         1.1801859495        2.4350826134       -1.8045741477
HM1         3.2829303916       -0.4319890305        2.0736462287
HM2         4.2883692561       -0.5889975308        0.6448117845
HM3         0.3263260062        4.9110836987       -0.1293033211
HM4        -1.1691288338        4.0842712806       -0.5939600910
HM5        -0.0614548247        4.6794639073       -1.8450447549
HM6         2.8715518141        0.8473623446       -0.6664271422
HM7         0.5968091055       -2.4342832741       -0.1945771011
HM8         1.0275817824        0.7561196947        1.7423480114
HM9        -1.9228044091        1.5673394135       -1.1242882605
HM10       -3.4480395403        1.4128120947       -2.0000896370
HM11       -2.0529688003        0.4359438610       -2.4850915458
HM12       -3.5343404092        0.1988315741        0.1996501904
HM13       -3.7795551350       -0.8615320416       -1.1815783456
HM14       -1.3861828374       -1.5971905448       -1.0716383004
HM15       -1.4570825063       -2.7565554210        1.2055375161
HM16       -2.9176308742       -1.8522633205        1.5796555613
HM17       -4.1071216902       -2.9552385508       -0.3235491494
HM18       -3.3870637214       -4.1728280231        0.7320059775
HM19       -2.6057074818       -3.7705736561       -0.8039130190
HM20        0.3513007528        0.0174768473       -1.1149473283
           43
Energy of minimum     76=      -59.6112425812 first found at step      100
C82        -2.8779328021       -2.5790069922        1.5623336839
C81        -1.3455436583       -2.3940012363        1.5846851829
C8         -0.8685443081       -0.9773741371        1.1585048244
C9         -1.4454546823        0.1738050334        2.0247537840
C91        -1.0471244369        0.0656076308        3.5098777142
O7         -1.2544353016       -0.7458834613       -0.2315967985
C6         -0.2082804727       -0.5450317302       -1.2263345319
C7          0.7241768508       -1.7423260166       -1.2385906218
C2          2.0675461927       -1.6522342159       -1.3736233977
C1          2.9517667619       -2.8705812071       -1.4116153142
O1B         4.1610883258       -2.7436084879       -1.5152519716
O1A         2.4636748105       -3.9862795831       -1.3269956047
C3          2.7545172121       -0.3015116930       -1.5263630155
C4          1.7749607009        0.8263396676       -1.9341172231
N4          2.4747827147        2.1378965763       -1.9072805369
HAB         2.7699776388        2.3519210538       -0.9503821859
HAA         3.3400437449        2.0830527278       -2.4534592393
C5          0.5334315731        0.7989658972       -0.9995514748
N5         -0.3781141802        1.9439930089       -1.2135267961
HAD        -1.0390169388        1.8785724597       -1.9711016102
C10        -0.3757138268        3.0803004691       -0.4889088423
C11        -1.3888801824        4.1185471322       -0.9258412109
O10         0.3821818428        3.2450201071        0.4541944565
HM1         3.2375290458       -0.0407833620       -0.5810393366
HM2         3.5438669540       -0.3571100546       -2.2802201813
HM3        -1.3325460911        5.0080637299       -0.2934831796
HM4        -2.4008151651        3.7108292502       -0.8619539323
HM5        -1.2046691105        4.4162227578       -1.9610667590
HM6         1.4338748481        0.6256423734       -2.9582756761
HM7         0.2404080482       -2.7134291275       -1.1503535666
HM8         0.8965737018        0.8242307570        0.0317979603
HM9        -3.1305826648       -3.6142085822        1.8019300590
HM10       -3.2866227432       -2.3508981343        0.5755461112
HM11       -3.3642739497       -1.9381278448        2.3002916459
HM12       -0.9732940195       -2.6221640246        2.5857205831
HM13       -0.8963702303       -3.1352320366        0.9200321940
HM14        0.2219670793       -0.9556396546        1.2444990728
HM15       -1.0694960010        1.1244796307        1.6438127250
HM16       -2.5340025967        0.2116512329        1.9414758383
HM17        0.0381590213       -0.0032281575        3.6139500793
HM18       -1.5006956192       -0.8103798531        3.9778077690
HM19       -1.3871603991        0.9497981218        4.0534958402
HM20       -0.7009576869       -0.4959000254       -2.2037765173
           43
Energy of minimum     77=      -59.5808090794 first found at step      266
C82        -0.7457392445       -1.7331774973       -3.4464930570
C81        -0.7021786079       -0.2605852239       -2.9910152501
C8         -1.4576516670       -0.0489744711       -1.6508150623
C9         -1.7111624294        1.4500752292       -1.3275397534
C91        -2.7909870231        2.0794825502       -2.2307105657
O7         -0.7812322535       -0.7170767139       -0.5322701578
C6          0.5271655341       -0.2493532860       -0.0877512641
C7          1.5807773690       -1.2303216361       -0.5723551701
C2          2.5932861969       -1.7068127587        0.1892406415
C1          3.6285560861       -2.6538988864       -0.3583566592
O1B         4.5137675128       -3.0766430749        0.3677756713
O1A         3.5803815464       -3.0092469244       -1.5252929436
C3          2.7548496326       -1.2865128133        1.6429691852
C4          1.9564841111       -0.0071659675        1.9858583421
N4          1.9934434540        0.2344552823        3.4531445629
HAB         2.9664284827        0.2674648297        3.7741790269
HAA         1.5790722273       -0.5627333254        3.9446826149
C5          0.5035827373       -0.1407784526        1.4584714615
N5         -0.3587615620        0.9735729812        1.9096821787
HAD        -0.0082717912        1.9094104501        1.7843145325
C10        -1.5550318538        0.8367564027        2.5137143398
C11        -2.2373451695        2.1390952475        2.8803882112
O10        -2.0413211029       -0.2579413723        2.7488391995
HM1         2.4240208180       -2.1061715686        2.2860756328
HM2         3.8071031733       -1.1055232943        1.8762643887
HM3        -3.2033830201        1.9521205120        3.3558578179
HM4        -2.4024913600        2.7464564975        1.9870550225
HM5        -1.6147508650        2.7115662005        3.5723795113
HM6         2.4281560488        0.8390527435        1.4692443669
HM7         1.4985078606       -1.5325918241       -1.6122667740
HM8         0.1007293228       -1.0837007349        1.8428121065
HM9        -0.3133119714       -2.3973820721       -2.6962971317
HM10       -0.1860627004       -1.8559894140       -4.3763242227
HM11       -1.7769408435       -2.0460407372       -3.6259087351
HM12        0.3326611954        0.0787497093       -2.9080533040
HM13       -1.1634231907        0.3394596976       -3.7771540293
HM14       -2.4379358483       -0.5268819275       -1.7451314384
HM15       -2.0494860444        1.5430092295       -0.2940151679
HM16       -0.7885547311        2.0270394966       -1.4251067593
HM17       -2.4688040270        2.1143798017       -3.2728592649
HM18       -2.9953776914        3.1031593428       -1.9092584678
HM19       -3.7226419022        1.5121196528       -2.1715014073
HM20        0.7438735910        0.7380781200       -0.5064722291
           43
Energy of minimum     78=      -59.5466343007 first found at step      500
C82        -1.1064793267        3.5643163313       -1.8846734006
C81        -1.7844073596        2.7458741011       -0.7667756740
C8         -1.3668379785        1.2509532222       -0.7888910010
C9         -2.0556268300        0.4352240459        0.3421611767
C91        -3.5961681977        0.4811349349        0.2858038475
O7          0.0962391233        1.2018111037       -0.6757436750
C6          0.8467510523       -0.0426006746       -0.8301467351
C7          0.1812952524       -0.9827134750       -1.8210748025
C2          0.0106706035       -2.3082042820       -1.6110455887
C1         -0.6274964601       -3.2050583893       -2.6388830710
O1B        -0.7785112746       -4.3933346354       -2.4052165412
O1A        -1.0074555350       -2.7440319293       -3.7035754835
C3          0.4987509006       -2.9667231938       -0.3285054269
C4          1.5978927809       -2.1415773700        0.3819223588
N4          1.9181636401       -2.7589797331        1.6942092999
HAB         2.3445305116       -3.6797729392        1.5485642924
HAA         2.6433142807       -2.2002141098        2.1536876252
C5          1.1269298393       -0.6766947683        0.5575882761
N5          2.0937717253        0.1452501390        1.3199305843
HAD         3.0034943585        0.2934756051        0.9112962707
C10         1.8358334389        0.7608434379        2.4909295904
C11         2.9793330354        1.5873195116        3.0426362434
O10         0.7606297340        0.6514944224        3.0574182896
HM1        -0.3487778339       -3.0994070069        0.3486762919
HM2         0.8998767639       -3.9623155967       -0.5322375352
HM3         3.2530374764        2.3747684032        2.3360192524
HM4         3.8565580247        0.9573497757        3.2096288303
HM5         2.7010282182        2.0534964914        3.9910831867
HM6         2.4941004235       -2.1383835391       -0.2526282763
HM7        -0.1406854580       -0.5267763634       -2.7556353224
HM8         0.1897606525       -0.7193919585        1.1136730110
HM9        -1.4810827152        4.5902907519       -1.8771854592
HM10       -1.3209623570        3.1296487016       -2.8637370369
HM11       -0.0234513328        3.6003563066       -1.7481838462
HM12       -1.5461851277        3.1875024334        0.2044534653
HM13       -2.8635258566        2.8320328540       -0.9070544004
HM14       -1.6675964818        0.8360568352       -1.7551015260
HM15       -1.7689357135       -0.6141277969        0.2577382029
HM16       -1.7214591060        0.7916585478        1.3194954554
HM17       -4.0161954458       -0.2242606636        1.0062340247
HM18       -3.9547609946        0.2067059401       -0.7089523660
HM19       -3.9740890001        1.4742744089        0.5361150398
HM20        1.8187285493        0.2327301199       -1.2540174472
           43
Energy of minimum     79=      -59.5022195655 first found at step       54
C82        -0.5560889292        1.5888473487       -3.2527360006
C81         0.4747397642        2.1205851060       -2.2308268794
C8          1.0722133589        1.0517626923       -1.2705068126
C9          2.4189477822        0.4549409453       -1.7713639441
C91         2.3274644153       -0.3203442755       -3.1012491461
O7          0.1009389412       -0.0077898091       -1.0171490562
C6          0.2555412642       -0.7700346352        0.2085010112
C7         -0.0053160443       -2.2194865242       -0.1471815883
C2         -0.7773786903       -3.0585620486        0.5814065477
C1         -0.9775307881       -4.5001757298        0.1949459728
O1B        -1.6993831698       -5.2183875191        0.8678335482
O1A        -0.4257482177       -4.9528654597       -0.7956166563
C3         -1.4738443820       -2.5884792091        1.8505929217
C4         -0.8865747792       -1.2712168508        2.4107958990
N4         -1.7614409621       -0.7570660721        3.4962524272
HAB        -1.7413174404       -1.4027310373        4.2922511048
HAA        -1.3667317016        0.1181476182        3.8528080722
C5         -0.7331496242       -0.2299479074        1.2730260359
N5         -0.3124124872        1.0973247592        1.7784824892
HAD         0.5448007242        1.1451397296        2.3076411670
C10        -0.9719381577        2.2529985016        1.5606684450
C11        -0.3085121357        3.4840170918        2.1424886954
O10        -2.0215555779        2.2943858939        0.9400353391
HM1        -2.5361290647       -2.4459051960        1.6363335773
HM2        -1.4088987694       -3.3505313450        2.6309872429
HM3        -0.2057156759        3.3834490813        3.2257823127
HM4        -0.8967554728        4.3804194299        1.9310240474
HM5         0.6885548820        3.6142817796        1.7144107585
HM6         0.1131522639       -1.4816875927        2.8133737211
HM7         0.4917378752       -2.5702735430       -1.0500953191
HM8        -1.7112894604       -0.1380380321        0.7894065629
HM9        -0.8673643122        2.3964714669       -3.9188752223
HM10       -1.4485214136        1.2132181507       -2.7471112725
HM11       -0.1433040638        0.7875146358       -3.8661650811
HM12        1.2828905917        2.6265320882       -2.7650020237
HM13       -0.0163362478        2.8879904704       -1.6273254452
HM14        1.2835660914        1.5638116569       -0.3275836128
HM15        3.1459457984        1.2627505557       -1.8859484007
HM16        2.8249108790       -0.2117779596       -1.0073170695
HM17        3.2842714150       -0.8008618314       -3.3168807642
HM18        2.1012651782        0.3520566996       -3.9306524297
HM19        1.5614535516       -1.0972732379       -3.0535324036
HM20        1.2808427914       -0.6832098856        0.5840712289
           43
Energy of minimum     80=      -59.4759868952 first found at step      772
C82         1.5021790339       -1.1074166213        2.9538558495
C81         0.8045436118       -2.2603914355        2.2059924379
C8         -0.1624816830       -1.7341369742        1.1166948620
C9         -1.0478724837       -2.8636838413        0.5215466135
C91        -0.2547932097       -3.9644042454       -0.2150878989
O7          0.6157940126       -1.0896182455        0.0653175401
C6         -0.0854771471       -0.1291239596       -0.7668659904
C7          0.3595328537       -0.3779837693       -2.1931162253
C2          0.7117983335        0.5935699690       -3.0668160224
C1          1.1159978831        0.2841853780       -4.4842896232
O1B         1.4497419835        1.1869926393       -5.2347259145
O1A         1.1204256489       -0.8693018729       -4.8842625509
C3          0.7028923393        2.0626339895       -2.6663452929
C4         -0.1128731203        2.3417502341       -1.3803805568
N4          0.1343417512        3.7378850489       -0.9260579739
HAB         1.1339810515        3.8751887764       -0.7521907401
HAA        -0.0942109862        4.3914445164       -1.6817414715
C5          0.2522438479        1.3050015515       -0.2826822151
N5         -0.3183955130        1.6197809397        1.0504582491
HAD         0.3364721546        1.8340896199        1.7861659698
C10        -1.6279189104        1.7227936419        1.3581334535
C11        -1.9093149995        2.1154736276        2.7940642863
O10        -2.5133673323        1.4998910739        0.5486730594
HM1         1.7354855064        2.3900007368       -2.5198600892
HM2         0.2891529242        2.6763500309       -3.4704278214
HM3        -1.4658787765        3.0895132322        3.0150209846
HM4        -1.4792151344        1.3802899795        3.4788981816
HM5        -2.9848640519        2.1738238155        2.9787063548
HM6        -1.1765974962        2.2199543086       -1.6205527326
HM7         0.3666704802       -1.4229302770       -2.4980754470
HM8         1.3424116233        1.3370829679       -0.1802434493
HM9         2.1534357038       -1.5057254967        3.7349778137
HM10        0.7655141082       -0.4519686412        3.4242154690
HM11        2.1133973996       -0.5118768859        2.2720372879
HM12        1.5633504107       -2.9103927775        1.7637356835
HM13        0.2452096316       -2.8575509459        2.9305203599
HM14       -0.8221839884       -0.9964876489        1.5817287514
HM15       -1.6259252701       -3.3246127452        1.3262760691
HM16       -1.7749534833       -2.4307594386       -0.1693085761
HM17        0.4116427336       -4.4950631522        0.4676566236
HM18        0.3399410964       -3.5436995701       -1.0284722803
HM19       -0.9442186387       -4.6948971126       -0.6439727860
HM20       -1.1656138988       -0.2956704211       -0.7092002422
           43
Energy of minimum     81=      -59.4384248008 first found at step      331
C82         1.3468888028       -3.0548051574        1.7586564690
C81         1.9335234636       -2.7791589765        0.3569638729
C8          1.5261113846       -1.4031144798       -0.2379565013
C9          1.9509454271       -0.1908568677        0.6412395118
C91         3.4614234482       -0.1625646893        0.9507636332
O7          0.0773098174       -1.4490474798       -0.4673119805
C6         -0.6340296192       -0.3829601894       -1.1686914557
C7          0.2157914576        0.2334172387       -2.2665048226
C2          0.3088914588        1.5637833233       -2.4941405474
C1          1.1400252584        2.1265744171       -3.6168112148
O1B         1.2118302257        3.3339929445       -3.7792275059
O1A         1.7542620178        1.3776724015       -4.3600127170
C3         -0.4610032105        2.5613190942       -1.6397292433
C4         -1.6630513514        1.9181629456       -0.9075255315
N4         -2.2638758840        2.9019679674        0.0288529328
HAB        -2.6744186993        3.6777684960       -0.5007120822
HAA        -3.0537553096        2.4606648141        0.5089677572
C5         -1.2020678787        0.6450129256       -0.1559799572
N5         -2.2809197587        0.0355513528        0.6539798840
HAD        -3.0779014847       -0.3383384026        0.1624786732
C10        -2.2540840376       -0.1180097972        1.9928149244
C11        -3.4574059132       -0.8287043510        2.5775192264
O10        -1.3278020863        0.2906689074        2.6737137218
HM1         0.2189013362        2.9977376523       -0.9036652620
HM2        -0.8368090555        3.3854287217       -2.2507004564
HM3        -3.5458493993       -1.8330788910        2.1559583276
HM4        -4.3726484953       -0.2783916529        2.3456701829
HM5        -3.3695690209       -0.9146636726        3.6634385865
HM6        -2.4078791556        1.6208040566       -1.6576370498
HM7         0.7453094043       -0.4735714866       -2.9026977537
HM8        -0.3970610207        0.9564199262        0.5103974434
HM9         0.2567453449       -2.9880173910        1.7482743387
HM10        1.7329480439       -2.3477314463        2.4953921658
HM11        1.6209577385       -4.0603791479        2.0850945043
HM12        3.0218110927       -2.8599302665        0.3995200316
HM13        1.5992249808       -3.5677737881       -0.3221223102
HM14        2.0286974865       -1.3142851215       -1.2052276408
HM15        1.7178434717        0.7356858291        0.1138136388
HM16        1.3901124756       -0.1802327328        1.5781728639
HM17        3.7201584215        0.7676725688        1.4613343563
HM18        4.0449068066       -0.2195316004        0.0289684080
HM19        3.7498523447       -0.9907088028        1.6010260183
HM20       -1.4943403292       -0.8544491918       -1.6563574400
           43
Energy of minimum     82=      -59.4144968948 first found at step      290
C82        -0.4841050368       -1.6249545338        4.2899942186
C81        -1.1287375703       -1.4984845729        2.8949182920
C8         -0.1184998024       -1.0905168272        1.7894189242
C9          0.5575437093        0.2876933590        2.0415896898
C91        -0.4376317581        1.4601299073        2.1689501899
O7         -0.8442737556       -1.1359419956        0.5143483694
C6         -0.1535981487       -1.1135366818       -0.7755185389
C7          1.2043425553       -1.7924687615       -0.7056495049
C2          2.3216748004       -1.3123834743       -1.2987651608
C1          3.6389430268       -2.0389384312       -1.2310850283
O1B         4.6273151647       -1.5647738122       -1.7673653047
O1A         3.7253578302       -3.0961706038       -0.6267723936
C3          2.2856433202       -0.0250417626       -2.1100413743
C4          0.8542910307        0.3408044975       -2.5689721608
N4          0.8635021057        1.6604134332       -3.2479919984
HAB         1.0883368337        2.3846125254       -2.5596127973
HAA        -0.0979050680        1.8813818962       -3.5214852854
C5         -0.1033257878        0.3278502374       -1.3477135801
N5         -1.4663150477        0.8025800137       -1.6757621180
HAD        -2.1351513663        0.1152866264       -1.9884566416
C10        -1.9078399430        2.0658544616       -1.5163981178
C11        -3.3659574801        2.2840485541       -1.8618854390
O10        -1.1733464623        2.9576580928       -1.1251055819
HM1         2.6966094323        0.7894689482       -1.5083375885
HM2         2.9147673145       -0.1105928186       -2.9993360078
HM3        -3.6496558600        3.3286051667       -1.7113126355
HM4        -4.0019822047        1.6569906445       -1.2322016810
HM5        -3.5515482116        2.0203994138       -2.9060329770
HM6         0.5155857328       -0.4257979846       -3.2781838086
HM7         1.2314167922       -2.7368618348       -0.1649710243
HM8         0.3238529979        0.9886699462       -0.5918474029
HM9         0.3713695864       -2.3036547658        4.2598749073
HM10       -1.2104236356       -2.0225265259        5.0022738613
HM11       -0.1492246491       -0.6542689017        4.6608731258
HM12       -1.5596389502       -2.4682703121        2.6327712688
HM13       -1.9579202926       -0.7885616425        2.9407096009
HM14        0.6636065475       -1.8538866571        1.7803768768
HM15        1.1562055267        0.2378406024        2.9533614935
HM16        1.2706547293        0.4979561691        1.2433870404
HM17       -1.0296594779        1.3733256102        3.0821981139
HM18       -1.1192350310        1.4926988248        1.3180861753
HM19        0.1043194660        2.4073654528        2.2106290182
HM20       -0.7693629630       -1.7040014834       -1.4629570145
           43
Energy of minimum     83=      -59.3922645103 first found at step     2271
C82        -0.5766396007        1.6426011383       -2.9968273086
C81        -1.6461606884        0.9381372136       -2.1384450338
C8         -1.2622586611       -0.5340619097       -1.8146158969
C9         -2.4695651311       -1.4768035909       -2.0431323799
C91        -2.1036497804       -2.9571451095       -1.8158043472
O7         -0.8568820636       -0.6589530716       -0.4174925707
C6          0.4351820600       -0.1248909630       -0.0263686869
C7          1.5265682591       -1.0831799672       -0.4699927534
C2          2.5665254900       -1.4665673893        0.3078258585
C1          3.6396761518       -2.3955257410       -0.1959562376
O1B         4.5491468549       -2.7362497281        0.5432193214
O1A         3.5985112940       -2.8180874054       -1.3406338422
C3          2.7199053077       -0.9622977370        1.7372103817
C4          1.8555981223        0.2854350404        2.0368697098
N4          1.8599424538        0.5695724816        3.4954235500
HAB         1.2422699669        1.3693697833        3.6629779922
HAA         1.4168140259       -0.2052821255        3.9971812005
C5          0.4139127879        0.0682504542        1.5075539018
N5         -0.5562500790        1.1119844203        1.9238772397
HAD        -1.3834306213        0.7963678206        2.4079902410
C10        -0.4886243458        2.4303756465        1.6430021673
C11        -1.6701969466        3.2422361999        2.1318370573
O10         0.4512071248        2.9261207576        1.0441157141
HM1         2.4470524658       -1.7668845114        2.4246730588
HM2         3.7620436570       -0.7094497189        1.9470474183
HM3        -1.5503521013        4.2979919775        1.8762445459
HM4        -1.7664375665        3.1563836454        3.2170067825
HM5        -2.5941987451        2.8776337722        1.6761974470
HM6         2.2926492946        1.1358854771        1.4988888702
HM7         1.4465100227       -1.4517815680       -1.4899554946
HM8         0.0672296642       -0.8833223887        1.9265560843
HM9        -0.8801987631        2.6710182918       -3.2045113446
HM10       -0.4518827895        1.1254469594       -3.9510036033
HM11        0.3898070599        1.6693375726       -2.4916418126
HM12       -1.8068391364        1.5030378708       -1.2163646615
HM13       -2.5890379119        0.9705987611       -2.6904062265
HM14       -0.4498612759       -0.8600665498       -2.4706339471
HM15       -3.2942459103       -1.1981463306       -1.3815825074
HM16       -2.8257088666       -1.3647152920       -3.0704436159
HM17       -1.8049914150       -3.1340584410       -0.7801767719
HM18       -1.2820753094       -3.2553998637       -2.4711822065
HM19       -2.9636678662       -3.5940820815       -2.0340630893
HM20        0.5926035122        0.8491661994       -0.4944642038
           43
Energy of minimum     84=      -59.3386413483 first found at step      125
C82        -0.5783401273       -3.4581313082       -2.3448816214
C81        -0.5168318461       -1.9291995581       -2.5382530743
C8         -0.9434969730       -1.1422362384       -1.2663796793
C9         -2.4707019649       -1.2922133699       -1.0288693008
C91        -2.9639081028       -0.5332985372        0.2149210074
O7         -0.6303245002        0.2793068629       -1.4387761535
C6          0.5697384427        0.8415219208       -0.8190110705
C7          1.8042906392        0.0861535616       -1.2774738955
C2          2.7776988661       -0.3638816430       -0.4545743063
C1          4.0007000248       -1.0747992508       -0.9720959760
O1B         4.8487637741       -1.4797517866       -0.1934972853
O1A         4.1419090994       -1.2596744321       -2.1705046914
C3          2.7037548805       -0.1109158860        1.0413091605
C4          1.8128995636        1.1068252799        1.3782037506
N4          1.7226377232        1.2516971224        2.8526351285
HAB         2.6339581634        1.5276522252        3.2312895213
HAA         1.0929760897        2.0291690572        3.0685621994
C5          0.4114667557        0.9400254514        0.7273742564
N5         -0.5006546412        2.0571194346        1.0676802828
HAD        -0.4676718007        2.8747215848        0.4782343117
C10        -1.3977735006        2.0659997094        2.0742950018
C11        -2.2242378919        3.3311597176        2.1779483695
O10        -1.5301299109        1.1227028390        2.8355113767
HM1         2.3107051423       -1.0007748320        1.5394419015
HM2         3.6988595071        0.0706271202        1.4541818175
HM3        -2.9275946286        3.2701654237        3.0121418842
HM4        -2.7909503339        3.4895398286        1.2570411161
HM5        -1.5750797110        4.1964000940        2.3334981311
HM6         2.2779330202        2.0057269205        0.9520049139
HM7         1.8907957956       -0.0495507054       -2.3532325033
HM8        -0.0119101245        0.0045672797        1.1028576587
HM9        -0.1735144271       -3.9617911105       -3.2254802997
HM10       -1.6046623174       -3.8028081170       -2.2071038159
HM11        0.0128452692       -3.7609296827       -1.4775660500
HM12        0.5051638152       -1.6787091246       -2.8179974540
HM13       -1.1513320013       -1.6469980754       -3.3825470491
HM14       -0.4039606263       -1.5369799965       -0.4006145915
HM15       -3.0216258388       -0.9404988044       -1.9051234419
HM16       -2.7212759103       -2.3458383301       -0.8933142355
HM17       -2.8337228238        0.5432078683        0.0912472161
HM18       -2.4193911455       -0.8614300292        1.1024562270
HM19       -4.0266699813       -0.7274357356        0.3753530269
HM20        0.6686645576        1.8635572519       -1.2008917643
           43
Energy of minimum     85=      -59.3047639119 first found at step      168
C82         0.4821582176       -1.5197057304        3.1359698855
C81        -0.3304648706       -1.2531465832        1.8526697750
C8         -0.5944858651        0.2594062511        1.5961345034
C9         -1.2802353226        0.9879180350        2.7841994669
C91        -2.6451905107        0.3882403408        3.1858489322
O7         -1.4327497151        0.4817373811        0.4133541878
C6         -1.0065668439        0.0885146876       -0.9280700091
C7         -1.2887672990       -1.3837937016       -1.1481804627
C2         -0.4908468424       -2.2034107616       -1.8714057173
C1         -0.8239850360       -3.6555137124       -2.0897775707
O1B        -0.0647186225       -4.3655492387       -2.7291972102
O1A        -1.8488457171       -4.1279779957       -1.6241451708
C3          0.7891978645       -1.6907766493       -2.5204334623
C4          0.8542981993       -0.1449718725       -2.6050112680
N4          2.2107729972        0.2818600706       -3.0398898942
HAB         2.4597066531       -0.1902935838       -3.9149739028
HAA         2.9079020756       -0.0320434169       -2.3586973249
C5          0.4641554365        0.4716308382       -1.2353716276
N5          0.6533587840        1.9380916750       -1.1879896291
HAD         0.0284006909        2.5061731109       -1.7376893904
C10         1.6323750818        2.5703743916       -0.5127911503
C11         1.6457692150        4.0774877889       -0.6641432910
O10         2.4349032366        1.9617888593        0.1767500854
HM1         1.6438676947       -2.0586538257       -1.9467319033
HM2         0.8918612417       -2.0923437390       -3.5317122998
HM3         0.7018051316        4.5019047731       -0.3132752369
HM4         1.7752797089        4.3521112112       -1.7139125976
HM5         2.4612604641        4.5194516783       -0.0862906817
HM6         0.1177026991        0.1872331587       -3.3483272785
HM7        -2.2033848594       -1.7584428639       -0.6917140944
HM8         1.1043857447       -0.0016319345       -0.4861549270
HM9         1.4083407347       -0.9403788865        3.1326871066
HM10       -0.0897312631       -1.2628920446        4.0297408611
HM11        0.7423134880       -2.5785836532        3.1996381305
HM12        0.2469581542       -1.6625488684        1.0220192380
HM13       -1.2720525400       -1.8055966030        1.8979091364
HM14        0.3676450573        0.7534299200        1.4415235000
HM15       -0.6178456600        0.9890634939        3.6524887111
HM16       -1.4256173658        2.0372473499        2.5147839681
HM17       -3.3357828412        0.3833423029        2.3397529145
HM18       -3.0926932455        0.9843747079        3.9841176959
HM19       -2.5359249708       -0.6339591475        3.5532155284
HM20       -1.6445291807        0.6408327864       -1.6269175260
           43
Energy of minimum     86=      -59.2834363269 first found at step     1045
C82         1.1190958472        3.5228802157        1.1272758930
C81        -0.3110096693        2.9507620334        1.0653735069
C8         -0.4026972509        1.7123142342        0.1316470507
C9         -1.0179554984        2.0390085345       -1.2536721004
C91        -0.1448009469        2.9885682280       -2.0960922575
O7         -1.2534768723        0.7119933236        0.7702697225
C6         -0.6510258854       -0.5452036009        1.1934718892
C7          0.5037336082       -0.2736040931        2.1398805303
C2          1.6653905704       -0.9677857818        2.1307134693
C1          2.7735347855       -0.6867906660        3.1107570147
O1B         3.8139866359       -1.3220952530        3.0537114964
O1A         2.6384977361        0.1817521798        3.9578007891
C3          1.9012080964       -2.0978119512        1.1364879778
C4          0.5941258163       -2.6058531925        0.4803739706
N4          0.9119365588       -3.5589665083       -0.6122291427
HAB         1.3828956698       -3.0525974974       -1.3677703666
HAA         0.0297916856       -3.8593068975       -1.0363714718
C5         -0.2376241293       -1.4003941044       -0.0321998832
N5         -1.4277062776       -1.8041721724       -0.8132342813
HAD        -2.2761723733       -1.9974369613       -0.3029729384
C10        -1.4878156886       -1.8587521044       -2.1582976364
C11        -2.8399199483       -2.2368361432       -2.7254588990
O10        -0.5141997739       -1.6200553592       -2.8535138073
HM1         2.5858650056       -1.7485922328        0.3594566452
HM2         2.3866482910       -2.9455688402        1.6262073850
HM3        -3.1413901945       -3.2221641366       -2.3615584844
HM4        -2.8103240814       -2.2635030332       -3.8175446332
HM5        -3.5962611652       -1.5113452012       -2.4158785642
HM6         0.0053210040       -3.1239731564        1.2486570354
HM7         0.3391206187        0.5214295669        2.8650505692
HM8         0.4157760979       -0.7972386871       -0.6697052404
HM9         1.8151878087        2.7733071518        1.5106599473
HM10        1.4629841010        3.8402347022        0.1414833877
HM11        1.1490192167        4.3880397224        1.7932377885
HM12       -0.6079790516        2.6775357208        2.0812082679
HM13       -1.0026242337        3.7308779846        0.7371490241
HM14        0.5992040611        1.2978710275       -0.0144221160
HM15       -1.1474572980        1.1102992663       -1.8132713011
HM16       -2.0110239178        2.4785290811       -1.1285566343
HM17       -0.0950758674        3.9810024680       -1.6439277448
HM18       -0.5690461129        3.0974647892       -3.0966341203
HM19        0.8692691460        2.5946709060       -2.1957452326
HM20       -1.4170061241       -1.0984935619        1.7481834950
           43
Energy of minimum     87=      -59.2154245988 first found at step      326
C82         0.3970542194        3.7262305716        1.6090631765
C81        -0.6546295958        2.9676859808        0.7712995665
C8         -0.6782038728        1.4342186636        1.0159175616
C9         -0.9322108132        1.0275254393        2.4954135320
C91        -2.2772959112        1.5501019613        3.0379962046
O7          0.5947867489        0.8829781816        0.5673985187
C6          0.6200637380       -0.5274231417        0.2228312732
C7          1.9180131410       -1.0827865049        0.7725278394
C2          2.7646182984       -1.8820099887        0.0825377497
C1          4.0272029771       -2.4269894428        0.6965715882
O1B         4.7764507493       -3.1265243326        0.0340774543
O1A         4.3101532988       -2.1637552122        1.8547110159
C3          2.4734381746       -2.2906412344       -1.3547792997
C4          0.9936127122       -2.0857223402       -1.7569860781
N4          0.8467830816       -2.2656224150       -3.2247828319
HAB        -0.1402203603       -2.1421996943       -3.4681638185
HAA         1.0606097142       -3.2363336501       -3.4749032964
C5          0.5104146000       -0.6787792353       -1.3168117565
N5         -0.8305677139       -0.3140253785       -1.8399513541
HAD        -0.8788644181        0.4980682499       -2.4369182409
C10        -1.9904109812       -0.9601538859       -1.5993414688
C11        -3.2059854842       -0.3475258964       -2.2632403269
O10        -2.0510079946       -1.9548462427       -0.8966548547
HM1         3.1124001348       -1.7066009812       -2.0221039698
HM2         2.7268889015       -3.3411912095       -1.5159869259
HM3        -3.3451186638        0.6813973743       -1.9221023382
HM4        -4.1081145336       -0.9168692930       -2.0259278210
HM5        -3.0790331429       -0.3342595808       -3.3485616053
HM6         0.3892625384       -2.8350902650       -1.2302773217
HM7         2.1378778453       -0.8046201451        1.8019477087
HM8         1.2267739641        0.0316466359       -1.7438973088
HM9         0.1722735226        3.6641511046        2.6756028589
HM10        1.3986609922        3.3258155971        1.4379319812
HM11        0.4027321634        4.7822430494        1.3303341853
HM12       -1.6425023426        3.3888238281        0.9701664979
HM13       -0.4550184605        3.1493832418       -0.2878839641
HM14       -1.4794410298        1.0177612812        0.3997574291
HM15       -0.9420271923       -0.0616892366        2.5753640793
HM16       -0.1205578710        1.3812748875        3.1353370995
HM17       -2.2808328670        2.6398946297        3.1040587951
HM18       -2.4557476779        1.1533206374        4.0398300708
HM19       -3.1013571988        1.2348340121        2.3938068520
HM20       -0.2109233901       -1.0516960204        0.7047915431
           43
Energy of minimum     88=      -59.1866496700 first found at step      947
C82        -1.3470887831       -1.7977445266        3.3009959107
C81        -1.6635641041       -0.3569443235        2.8380878976
C8         -1.3939809450       -0.0650314977        1.3334579630
C9         -2.6529473290       -0.2631502255        0.4392195185
C91        -3.1447742378       -1.7200070208        0.3239228620
O7         -0.2536397988       -0.8546753155        0.8706423416
C6          0.2835115750       -0.6673720413       -0.4700695859
C7          1.2033825007       -1.8565237755       -0.6755328418
C2          2.5035290010       -1.7801230655       -1.0397473921
C1          3.3532600867       -3.0075304079       -1.2403790704
O1B         4.5286714062       -2.8952651806       -1.5492178089
O1A         2.8725887394       -4.1188314022       -1.0833606436
C3          3.1568178107       -0.4355475731       -1.3063539902
C4          2.1172240956        0.6436466665       -1.6778954550
N4          2.7976956949        1.9554232211       -1.8309586946
HAB         2.0973654146        2.6617648744       -2.0734005433
HAA         3.4337156370        1.9234103245       -2.6340447778
C5          0.9986865960        0.7097765850       -0.6034590923
N5          0.0325554305        1.7906645135       -0.9138866824
HAD        -0.5615591868        1.6649485323       -1.7194531096
C10        -0.0954321525        2.9442696549       -0.2278179910
C11        -1.1395343682        3.8966577273       -0.7719183087
O10         0.5731764275        3.1845694162        0.7635796066
HM1         3.7097475967       -0.1200420005       -0.4180124657
HM2         3.8797162775       -0.5079103450       -2.1222998851
HM3        -1.1932641958        4.8039519115       -0.1651342049
HM4        -2.1229452199        3.4198739848       -0.7717457261
HM5        -0.8961339196        4.1793057175       -1.7990677383
HM6         1.6529281213        0.3596424827       -2.6316119770
HM7         0.7395369055       -2.8262040210       -0.5019922894
HM8         1.4863535420        0.9174899452        0.3548395829
HM9        -1.8905378857       -2.5412822701        2.7179822446
HM10       -1.6297758127       -1.9199197016        4.3488804385
HM11       -0.2783662316       -2.0082419046        3.2195420149
HM12       -2.7041136798       -0.1235596921        3.0770670307
HM13       -1.0548050292        0.3272362598        3.4344270949
HM14       -1.1270409118        0.9911580922        1.2781476738
HM15       -3.4677213679        0.3508900917        0.8305502963
HM16       -2.4499092531        0.1201132756       -0.5627883206
HM17       -3.5532547056       -2.0702545773        1.2731504887
HM18       -2.3376425560       -2.3875489066        0.0147675411
HM19       -3.9410190949       -1.7840089625       -0.4208927968
HM20       -0.5214120896       -0.7370745400       -1.2082191151
           43
Energy of minimum     89=      -59.1628467502 first found at step      261
C82         2.2500546221       -2.0828294059        2.4740683127
C81         2.3488508640       -1.5480792017        1.0291168393
C8          1.7963643640       -0.1109350116        0.8427864442
C9          2.5755821033        0.9323305920        1.6853107878
C91         2.2106126376        2.3822029914        1.3124509014
O7          0.3855343726       -0.0967211623        1.2110391130
C6         -0.5312634835        0.5559407187        0.2935890251
C7         -1.6255873957        1.1637792655        1.1481125501
C2         -2.9501231713        1.0679699262        0.8861200738
C1         -3.9868265417        1.7207903699        1.7620454894
O1B        -5.1729662286        1.5914623232        1.5051456057
O1A        -3.6456375404        2.3721713952        2.7366894554
C3         -3.4647294742        0.3065604723       -0.3274160132
C4         -2.3713975980        0.0614949756       -1.3933777747
N4         -2.8782323009       -0.8744360525       -2.4306144261
HAB        -2.1183421696       -1.0541809273       -3.0932801509
HAA        -3.0693632531       -1.7865630206       -2.0063796774
C5         -1.0817836119       -0.4813232392       -0.7213684439
N5         -0.0623739591       -0.9552790294       -1.6915157416
HAD         0.2047932910       -1.9271616996       -1.6338405488
C10         0.5597056064       -0.2116439738       -2.6304706053
C11         1.5748721395       -0.9656795595       -3.4634293326
O10         0.3259676552        0.9747957194       -2.7857518994
HM1        -3.8713286277       -0.6520827174        0.0043621173
HM2        -4.2852592184        0.8486362239       -0.8037634005
HM3         2.0433093010       -0.3062249053       -4.1982473957
HM4         1.0924077692       -1.7902133453       -3.9940225484
HM5         2.3560547280       -1.3814894575       -2.8221028208
HM6        -2.1321159956        1.0254298142       -1.8596260016
HM7        -1.2753879863        1.7174720822        2.0176066628
HM8        -1.3856930587       -1.3481182314       -0.1233082736
HM9         2.6107714809       -3.1129649661        2.5140657878
HM10        1.2166625146       -2.0733180171        2.8273342362
HM11        2.8598056538       -1.4889501786        3.1577807160
HM12        3.3943425510       -1.5740205653        0.7121900804
HM13        1.8057130958       -2.2252116651        0.3653084724
HM14        1.9078769492        0.1479140635       -0.2135766525
HM15        2.3870051518        0.7810142278        2.7508545353
HM16        3.6476056905        0.7949634233        1.5231176901
HM17        2.8350960519        3.0817227210        1.8724544564
HM18        1.1670608153        2.5970112342        1.5504509928
HM19        2.3705420378        2.5588174189        0.2463079671
HM20       -0.0181798314        1.3649463742       -0.2362166057
           43
Energy of minimum     90=      -59.1341287196 first found at step       13
C82         4.2985318173        0.1092471591        0.2835659715
C81         3.4008926607       -0.7129587553       -0.6628435325
C8          1.9371341411       -0.7927751237       -0.1615400291
C9          1.1034873154       -1.7199362435       -1.0889443417
C91         0.2545361742       -2.7243905505       -0.2840747788
O7          1.4109701363        0.5768197287       -0.1352799484
C6          0.2420872855        0.9444633807        0.6600554998
C7          0.2623660853        0.2739048800        2.0211375011
C2         -0.8432027661       -0.1962620140        2.6440896007
C1         -0.7847131249       -0.8253406937        4.0107798767
O1B        -1.8029803416       -1.2519618697        4.5307958486
O1A         0.2820875745       -0.9217879936        4.5963617089
C3         -2.2191042110       -0.0829530134        1.9996406822
C4         -2.2617412606        0.9547768290        0.8514324083
N4         -3.5675541863        0.8814583851        0.1497664158
HAB        -3.6351832640       -0.0191836515       -0.3330143935
HAA        -3.5563769940        1.5645017618       -0.6128829217
C5         -1.0762433141        0.7109811183       -0.1185407775
N5         -1.1274895520        1.5610748926       -1.3281989508
HAD        -0.7161744722        2.4802341108       -1.2695462893
C10        -1.6074592115        1.1726271816       -2.5257961791
C11        -1.4885682850        2.2023941277       -3.6297062696
O10        -2.1020407446        0.0697075433       -2.6907378151
HM1        -2.5127759941       -1.0628848870        1.6152148041
HM2        -2.9690748220        0.2019725356        2.7415489952
HM3        -2.0305807663        3.1119811861       -3.3593840777
HM4        -1.8996695588        1.8181088229       -4.5664956273
HM5        -0.4400228851        2.4641286056       -3.7918103703
HM6        -2.1445898719        1.9545801068        1.2896593244
HM7         1.2371176464        0.2137332760        2.5024875394
HM8        -1.1198782358       -0.3347214981       -0.4224926553
HM9         3.9694282188        1.1494908193        0.3339453176
HM10        4.2812140878       -0.3109460820        1.2918324866
HM11        5.3305141176        0.0975653501       -0.0739647017
HM12        3.4314014906       -0.2781073875       -1.6655246347
HM13        3.8141077315       -1.7224031859       -0.7342874435
HM14        1.9633730024       -1.2091385773        0.8493787157
HM15        0.4668947427       -1.1304984631       -1.7512802623
HM16        1.7639728903       -2.2979432640       -1.7403448966
HM17        0.9006266401       -3.3964815471        0.2853651915
HM18       -0.3548919296       -3.3287261330       -0.9594815444
HM19       -0.4098540603       -2.2180436902        0.4167997971
HM20        0.3194260934        2.0236928229        0.8323147553
           43
Energy of minimum     91=      -59.1122334577 first found at step      129
C82         3.6438963561        1.2800855641       -2.0040792640
C81         2.4329752109        0.4726852999       -2.5115312593
C8          1.6731132225       -0.2195325226       -1.3517207724
C9          0.6219885730       -1.2310407163       -1.8832123081
C91        -0.4732879191       -0.5928591230       -2.7631423066
O7          1.0779123792        0.8245537528       -0.5074435400
C6          0.5937908604        0.5419503091        0.8443490326
C7          1.4294963042       -0.5277352595        1.5279759584
C2          0.9124808504       -1.5356955090        2.2674954464
C1          1.7844462710       -2.5551805818        2.9518058337
O1B         1.2777411383       -3.4575028308        3.5985828731
O1A         2.9991578436       -2.4911400623        2.8484339397
C3         -0.5892134717       -1.6558824608        2.4829481090
C4         -1.3244043391       -0.3165655839        2.2375719792
N4         -2.7916294434       -0.5138301319        2.3736613901
HAB        -3.0004127333       -0.9819445168        3.2608273486
HAA        -3.1231117985       -1.1510929069        1.6439796124
C5         -0.9292129115        0.2404028888        0.8414698832
N5         -1.6990858615        1.4457680289        0.4634803437
HAD        -1.3722654267        2.3342515679        0.8080173228
C10        -2.8205394054        1.4462764224       -0.2842656481
C11        -3.4411599806        2.8110813328       -0.5028492524
O10        -3.2862272694        0.4204269076       -0.7549662453
HM1        -0.9875407765       -2.4216211471        1.8122966122
HM2        -0.8065238642       -1.9822421984        3.5029749284
HM3        -3.7127138081        3.2621220372        0.4547900704
HM4        -4.3408080958        2.7358763781       -1.1187088290
HM5        -2.7317628894        3.4740856235       -1.0043603847
HM6        -0.9889601448        0.3998956073        2.9989247322
HM7         2.5074305832       -0.4244459339        1.4157451572
HM8        -1.1293437543       -0.5435151728        0.1102743160
HM9         4.1783906952        1.7249586802       -2.8463179512
HM10        4.3378144223        0.6338175572       -1.4616122991
HM11        3.3265252383        2.0862390372       -1.3389053638
HM12        1.7653288637        1.1399968637       -3.0620631091
HM13        2.7903806754       -0.2837585142       -3.2147886902
HM14        2.4140986493       -0.7800383268       -0.7762654568
HM15        1.1347652249       -1.9958522035       -2.4716364066
HM16        0.1635178719       -1.7604735778       -1.0466640227
HM17       -0.0575581761       -0.2376234855       -3.7082376368
HM18       -0.9447047525        0.2498397159       -2.2566018414
HM19       -1.2449270427       -1.3306106313       -2.9933818424
HM20        0.7301426308        1.4658698223        1.4171495407
           43
Energy of minimum     92=      -59.0889908747 first found at step      145
C82         2.6185139820        1.2574411047        0.4264123663
C81         2.4265524026        0.8831857607       -1.0565670466
C8          1.4729118632       -0.3314862275       -1.2372598048
C9          2.0428194876       -1.3063436223       -2.2979060526
C91         1.1982815888       -2.5905004623       -2.4242431412
O7          0.1422007091        0.0774721461       -1.6988531125
C6         -0.8406707823        0.6935452875       -0.8111412070
C7         -0.5429177422        2.1658487621       -0.6218802032
C2         -0.7886368549        2.8389644574        0.5263649601
C1         -0.5154792119        4.3133644709        0.6628773442
O1B        -0.7290040935        4.8767570668        1.7242081803
O1A        -0.0764116952        4.9477090313       -0.2832177209
C3         -1.3686252076        2.1360371089        1.7486495617
C4         -1.9785735651        0.7473870832        1.4285014635
N4         -2.2947658467        0.0289400319        2.6914079733
HAB        -2.8946874301        0.6130710067        3.2826943453
HAA        -1.4384642951       -0.1111542860        3.2350545920
C5         -1.0036071196       -0.0609176839        0.5322237023
N5         -1.4400690069       -1.4564805878        0.3100665832
HAD        -2.2651945238       -1.6029478523       -0.2494887965
C10        -0.8421090371       -2.5451315499        0.8305631736
C11        -1.4940573906       -3.8655553609        0.4760539564
O10         0.1585834900       -2.4599503307        1.5240732945
HM1        -0.5762992893        2.0202184367        2.4927626788
HM2        -2.1453808100        2.7514722620        2.2094978924
HM3        -0.9507525702       -4.7007308610        0.9249643819
HM4        -1.5067795111       -4.0025036622       -0.6081292158
HM5        -2.5255508166       -3.8881067736        0.8361423546
HM6        -2.9063053687        0.9048505869        0.8628632400
HM7        -0.1365284654        2.6791109642       -1.4914181194
HM8        -0.0388205494       -0.0609473090        1.0446122600
HM9         3.2911980583        2.1134167699        0.5136958059
HM10        3.0577704065        0.4218541306        0.9761708534
HM11        1.6733240063        1.5185345022        0.9007562910
HM12        2.0653158779        1.7460972527       -1.6200561437
HM13        3.4142098431        0.6476944484       -1.4612125259
HM14        1.3986645571       -0.8874200163       -0.2999525613
HM15        2.1029299517       -0.8100296777       -3.2702200143
HM16        3.0593145766       -1.5939130724       -2.0172734792
HM17        1.1453827948       -3.1115736354       -1.4658269662
HM18        1.6496877457       -3.2656703334       -3.1544905942
HM19        0.1820933646       -2.3645076403       -2.7547066709
HM20       -1.8000635228        0.6328982733       -1.3367738785
           43
Energy of minimum     93=      -59.0529259790 first found at step     3099
C82         3.1876408958        1.6448047621       -0.3306375154
C81         3.2450562889        0.5032845245        0.7110230360
C8          2.3099814560       -0.7167265380        0.4565236240
C9          2.3270282446       -1.2253800278       -1.0092636708
C91         1.8254569887       -2.6786152061       -1.1103137509
O7          0.9406101720       -0.5384594360        0.9577464914
C6          0.0809799354        0.5158057873        0.4400547182
C7          0.0794733970        1.6475293988        1.4545317371
C2         -1.0286333741        2.2991078694        1.8778195975
C1         -0.9623758514        3.4306507345        2.8694893472
O1B        -1.9881527307        3.9773912659        3.2416532586
O1A         0.1146730079        3.7975743689        3.3120130141
C3         -2.4082290576        1.9321928255        1.3532738481
C4         -2.3455096043        1.0980202144        0.0540633248
N4         -3.7032068455        0.6087789688       -0.2958077977
HAB        -4.0071270007       -0.0604354374        0.4175387781
HAA        -3.6269081306        0.0424118775       -1.1450015600
C5         -1.3370682874       -0.0703265690        0.2228043155
N5         -1.3636243115       -0.9982025851       -0.9310132514
HAD        -0.8551173438       -0.7285716597       -1.7588919275
C10        -2.0203292993       -2.1750866359       -0.9618022414
C11        -1.9230048899       -2.9316158741       -2.2706255817
O10        -2.6524588937       -2.5831562147       -0.0014913156
HM1        -2.9422692776        1.3688038613        2.1225974459
HM2        -2.9968909704        2.8307847406        1.1528945208
HM3        -2.3551412476       -2.3401575597       -3.0815010911
HM4        -2.4581898609       -3.8825127981       -2.2108930320
HM5        -0.8790348143       -3.1367467234       -2.5177849654
HM6        -1.9794894566        1.7482208148       -0.7512732346
HM7         1.0536708125        1.9326634055        1.8419516961
HM8        -1.6031150000       -0.6189164275        1.1332856523
HM9         3.9319088070        2.4040189097       -0.0805945236
HM10        2.2158443349        2.1361489380       -0.3478929600
HM11        3.4139243695        1.2805082505       -1.3345353266
HM12        4.2726966260        0.1316082569        0.7243208556
HM13        3.0626689482        0.9057105946        1.7095777525
HM14        2.7310258878       -1.5228402655        1.0656796160
HM15        1.7241983770       -0.5815260494       -1.6532324895
HM16        3.3501377091       -1.1951006190       -1.3921967066
HM17        2.4931632386       -3.3516042654       -0.5675065088
HM18        1.7962558426       -2.9963904587       -2.1548363920
HM19        0.8242779624       -2.7804670756       -0.6900201298
HM20        0.4552029462        0.8768180565       -0.5217266575
           43
Energy of minimum     94=      -59.0270924391 first found at step       36
C82         0.0653026243       -3.6019612305        2.9468524712
C81         0.3871834670       -2.2490899253        2.2801590636
C8         -0.5112122380       -1.9678372508        1.0470502282
C9         -0.0815445783       -2.7991046276       -0.1944369046
C91        -1.0639761318       -2.6587748291       -1.3720599309
O7         -0.6299074962       -0.5271349339        0.7707440741
C6          0.4504027878        0.2510280402        0.1660013352
C7          1.4553990215        0.6862298442        1.2232974664
C2          1.9679070506        1.9346076926        1.3317578224
C1          2.9899611112        2.2908864894        2.3796538052
O1B         3.4130493688        3.4331055449        2.4570623035
O1A         3.3914161831        1.4426465345        3.1605219907
C3          1.5578153933        3.0462933264        0.3783433676
C4          0.8793772157        2.5142237512       -0.9037471385
N4          0.3010390527        3.6503323806       -1.6677009806
HAB        -0.1541984558        3.2858788575       -2.5095506578
HAA         1.0538568790        4.2550178599       -2.0119393940
C5         -0.2059559760        1.4735529701       -0.5291468993
N5         -1.0151274676        1.0633960381       -1.6998965720
HAD        -0.5289307718        0.6537777849       -2.4819580587
C10        -2.3567101333        1.1640789490       -1.7887134765
C11        -2.9516923580        0.6503496873       -3.0840913218
O10        -3.0327216097        1.6408893766       -0.8913106441
HM1         0.8710484352        3.7202262282        0.8969163003
HM2         2.4246030740        3.6430259078        0.0840980600
HM3        -2.5280282475        1.1884096644       -3.9357017710
HM4        -4.0362310508        0.7843190702       -3.0943147463
HM5        -2.7329043611       -0.4128512730       -3.2084041381
HM6         1.6382859887        2.0081062718       -1.5151097761
HM7         1.7930808953       -0.0820316304        1.9084001385
HM8        -0.8608811069        1.9495561374        0.2080800816
HM9         0.6800826849       -3.7339807785        3.8399442518
HM10        0.2692814084       -4.4355928547        2.2723493520
HM11       -0.9841902390       -3.6447438217        3.2471141544
HM12        0.2419160447       -1.4628730527        3.0253660258
HM13        1.4401457962       -2.2474799591        1.9888552129
HM14       -1.5208874726       -2.2921203062        1.3181915844
HM15        0.9266009865       -2.5273324580       -0.5148417684
HM16       -0.0443980789       -3.8559830782        0.0762921841
HM17       -2.0787707622       -2.9187108167       -1.0622286447
HM18       -0.7726185989       -3.3273787349       -2.1850726518
HM19       -1.0671062039       -1.6412258753       -1.7594288327
HM20        0.9602378692       -0.3437309705       -0.5973969659
           43
Energy of minimum     95=      -58.9643438125 first found at step      357
C82         3.4085487715        0.0318232393       -0.0161631929
C81         2.5441375999       -1.1537615561        0.4599971283
C8          1.5609605811       -0.7518886536        1.5979028891
C9          1.4654154638       -1.8535486558        2.6859769621
C91         0.9123050782       -3.1994109653        2.1664651239
O7          0.2083155006       -0.5205777192        1.0929479649
C6         -0.0353520573        0.5537720903        0.1450407496
C7          0.1004789128        1.8967947684        0.8421524893
C2         -0.7813765236        2.9158929135        0.7136058955
C1         -0.5755234122        4.2403459086        1.4007881778
O1B        -1.4034120617        5.1285275563        1.2769131834
O1A         0.4134607339        4.4263064608        2.0921054380
C3         -2.0246741703        2.7863812545       -0.1563843975
C4         -1.9434434003        1.6139323685       -1.1625629625
N4         -3.2742164308        1.3961345376       -1.7867966381
HAB        -3.1929898407        0.6261838220       -2.4572187088
HAA        -3.5255905449        2.2127983188       -2.3527890472
C5         -1.4503124547        0.3336543766       -0.4406185984
N5         -1.5252005792       -0.9023295158       -1.2599050032
HAD        -2.0669741329       -1.6639864572       -0.8812887226
C10        -0.8943316291       -1.1319803043       -2.4301071271
C11        -1.1119100947       -2.5164264262       -3.0051805248
O10        -0.2052529435       -0.2886211178       -2.9796554203
HM1        -2.8933758055        2.6453618334        0.4918093674
HM2        -2.1986175365        3.7060566154       -0.7201098862
HM3        -0.7540317349       -3.2770173796       -2.3067423435
HM4        -0.5766895689       -2.6343121243       -3.9506794655
HM5        -2.1758715016       -2.6898810234       -3.1845257992
HM6        -1.2100424761        1.8761495834       -1.9355460271
HM7         0.9890503535        2.0244960780        1.4552797218
HM8        -2.1187070581        0.1939608369        0.4160008085
HM9         2.7994100869        0.8489034539       -0.4039597170
HM10        4.0134726932        0.4170359267        0.8079069964
HM11        4.0846451804       -0.2932227259       -0.8099791220
HM12        1.9972399656       -1.5797218240       -0.3853379311
HM13        3.2278534317       -1.9288273126        0.8153115032
HM14        1.9263025095        0.1538727277        2.0896485721
HM15        2.4551896226       -2.0184044696        3.1192227151
HM16        0.8258420415       -1.4982224904        3.4979889878
HM17       -0.0964045127       -3.0811440294        1.7647498767
HM18        0.8665310432       -3.9227435745        2.9835167811
HM19        1.5510693873       -3.6155700167        1.3847834438
HM20        0.6840715130        0.4932136707       -0.6745641405
           43
Energy of minimum     96=      -58.9416264712 first found at step      889
C82        -2.6658502972        2.3160655248       -2.2408463950
C81        -2.3975772066        2.1225249203       -0.7326217493
C8         -0.9887290137        1.5549375487       -0.4055388054
C9          0.1834797646        2.4275343477       -0.9428490025
C91         0.1397628539        3.8807825927       -0.4290734656
O7         -0.9254063696        0.2000330541       -0.9515028540
C6          0.1981895349       -0.6719313725       -0.6351613715
C7          0.1398302334       -1.7725456583       -1.6774977748
C2          0.1518623756       -3.0989236620       -1.4108900947
C1          0.1129658355       -4.1344340558       -2.5041834801
O1B         0.0795974649       -3.7898637229       -3.6750181144
O1A         0.1025568968       -5.3219969628       -2.2228204104
C3          0.2408396447       -3.6107595558        0.0174449954
C4          0.8376415701       -2.5614552379        0.9810412735
N4          0.7429246681       -3.0597887209        2.3779282925
HAB         1.3304914869       -3.8926464980        2.4859296606
HAA         1.1601608303       -2.3609296436        2.9994203244
C5          0.0994910363       -1.2051701931        0.8250123127
N5          0.5192044911       -0.2093842667        1.8445506402
HAD        -0.1807412104        0.0818530445        2.5106903594
C10         1.7449590448        0.3409252966        1.9743458391
C11         1.8633637821        1.3656229206        3.0831825351
O10         2.6804607153        0.0346455181        1.2545962908
HM1        -0.7584219309       -3.8924477235        0.3589807622
HM2         0.8588758285       -4.5101063085        0.0706788765
HM3         1.1708701674        2.1929371725        2.9086105901
HM4         2.8781476028        1.7678126645        3.1355799101
HM5         1.6192315424        0.9119340552        4.0469051720
HM6         1.8911040224       -2.4114701396        0.7128704759
HM7         0.0887905631       -1.4217159061       -2.7069298636
HM8        -0.9605217527       -1.4224904022        0.9966159424
HM9        -3.6929168674        2.6540054293       -2.3951716483
HM10       -2.5324300616        1.3795835379       -2.7867719684
HM11       -1.9994527619        3.0679158802       -2.6680269439
HM12       -2.5429707201        3.0744536843       -0.2173312471
HM13       -3.1517353804        1.4422007183       -0.3286186521
HM14       -0.9145797652        1.5055111853        0.6821828307
HM15        1.1340320883        2.0016240412       -0.6177906023
HM16        0.1922483682        2.4273574249       -2.0353448757
HM17        1.0400871867        4.4143994082       -0.7415333937
HM18        0.0918847050        3.9022629922        0.6621601814
HM19       -0.7223104994        4.4179964795       -0.8292267777
HM20        1.1405895328       -0.1368594115       -0.7739777746
           43
Energy of minimum     97=      -58.8585247777 first found at step        4
C82        -2.4793360380        0.9998414343       -2.1268627888
C81        -1.0188169858        0.7112661156       -2.5307526264
C8         -0.0000575742        1.5683167871       -1.7243272164
C9          1.1568634696        2.0772074844       -2.6237688945
C91         2.0150195229        0.9482081160       -3.2370213471
O7          0.6023138606        0.8103759711       -0.6287342717
C6         -0.2336848550        0.3130908198        0.4507066683
C7         -0.7062295948        1.4715169113        1.3128629179
C2         -0.6857311730        1.4727225447        2.6668377522
C1         -1.2017345862        2.6368175859        3.4713429178
O1B        -1.1468967807        2.6094202370        4.6902902034
O1A        -1.6653440750        3.6154929495        2.9075799586
C3         -0.1583025773        0.2812102507        3.4559804276
C4         -0.0668061220       -1.0115875197        2.6113501532
N4          0.6732527723       -2.0588517220        3.3621501008
HAB         1.6388095799       -1.7539681349        3.5146692170
HAA         0.7571798636       -2.8811169873        2.7570874458
C5          0.6123622958       -0.7042583129        1.2513697925
N5          0.9478410530       -1.9063562265        0.4472961692
HAD         1.9119093667       -2.0123879511        0.1689822857
C10         0.0800079756       -2.8261075657       -0.0242013948
C11         0.7063940717       -3.9025562177       -0.8862692779
O10        -1.1130799239       -2.7915062448        0.2270624608
HM1         0.8307109768        0.5296142947        3.8491190423
HM2        -0.7971778006        0.0762963245        4.3184485717
HM3         1.1873798050       -3.4554832824       -1.7598458771
HM4        -0.0481167082       -4.6137662574       -1.2315308083
HM5         1.4648342239       -4.4485335046       -0.3197828726
HM6        -1.0884042679       -1.3589012330        2.4127014803
HM7        -1.1053251717        2.3291007054        0.7770365266
HM8         1.5553056997       -0.1954973678        1.4821877044
HM9        -2.6584972436        0.7889273567       -1.0721189536
HM10       -2.7258066146        2.0476927992       -2.3130639071
HM11       -3.1596906840        0.3815403170       -2.7165427786
HM12       -0.8021313755       -0.3535323365       -2.4108964584
HM13       -0.9295897870        0.9325949565       -3.5972810660
HM14       -0.5061576900        2.4503358377       -1.3223628813
HM15        0.7438938128        2.6890004724       -3.4297993531
HM16        1.8036440818        2.7331905905       -2.0355372029
HM17        2.4805472319        0.3408003604       -2.4577920810
HM18        2.8108211660        1.3772083941       -3.8498275139
HM19        1.4150208958        0.2955024199       -3.8743642584
HM20       -1.0971940963       -0.2128811723        0.0376220337
           43
Energy of minimum     98=      -58.8174922124 first found at step      778
C82        -0.6904473032       -2.8590242440       -2.1722878384
C81         0.5953326545       -2.7727615623       -1.3184936432
C8          0.4731056022       -1.9326248767       -0.0142763271
C9          0.1336597079       -2.7873280045        1.2408091064
C91        -1.2320603359       -3.5014089936        1.1862882102
O7         -0.5004058872       -0.8587209776       -0.1864271319
C6         -0.3701817184        0.2973408379        0.6818465307
C7         -1.7719570249        0.6732083461        1.1177110053
C2         -2.2474541156        1.9398994343        1.1513635161
C1         -3.6421643337        2.2586192805        1.6213575470
O1B        -4.0391913252        3.4127033178        1.6153044144
O1A        -4.3819213040        1.3647017575        2.0010412589
C3         -1.3822641452        3.1199770497        0.7303286706
C4          0.1253389223        2.7735984765        0.6805252815
N4          0.8826113312        3.8948360113        0.0626701369
HAB         0.5446990171        4.0553297472       -0.8906683628
HAA         0.6831081448        4.7657829559        0.5651575948
C5          0.3345616237        1.4425719800       -0.0890196346
N5          1.7660780692        1.1473434819       -0.3209093155
HAD         2.3852477972        1.2063096423        0.4718889005
C10         2.3169289598        0.8652674306       -1.5177493819
C11         3.8077441140        0.5985682684       -1.4864091393
O10         1.6562679730        0.8293834237       -2.5431336004
HM1        -1.7094537773        3.4617591709       -0.2550622537
HM2        -1.5175563955        3.9591981049        1.4172341673
HM3         4.0258589367       -0.2544238053       -0.8389386873
HM4         4.3410934495        1.4692367733       -1.0969356140
HM5         4.1853931341        0.3792566937       -2.4881914882
HM6         0.4757488409        2.6271327938        1.7106528436
HM7        -2.3994233897       -0.1609186080        1.4274739139
HM8        -0.1722632808        1.5396217001       -1.0548803248
HM9        -0.5236538129       -3.5181881578       -3.0270258637
HM10       -0.9677695722       -1.8763075249       -2.5602736998
HM11       -1.5308085895       -3.2550177312       -1.6014649915
HM12        0.9329639199       -3.7829886723       -1.0737654745
HM13        1.3808514738       -2.3330402179       -1.9380209440
HM14        1.4559174896       -1.4863256638        0.1622506944
HM15        0.9157021585       -3.5372206007        1.3832289673
HM16        0.1585532118       -2.1515790607        2.1286549522
HM17       -1.4394883520       -3.9787294370        2.1465035164
HM18       -1.2350740224       -4.2809971990        0.4224558914
HM19       -2.0387636583       -2.7954379005        0.9777543233
HM20        0.2155358121        0.0413965592        1.5714322736
           43
Energy of minimum     99=      -58.7514453715 first found at step      714
C82         1.5261887695        3.5761237102       -0.8649529524
C81         0.1885038639        3.4099968909       -0.1191137434
C8         -0.3375151456        1.9512855984       -0.1628154191
C9         -1.7727240224        1.8621190739        0.4301063276
C91        -1.8474575289        2.1255023386        1.9499055894
O7          0.5855998321        1.0953673426        0.5830908474
C6          0.9607806226       -0.2105542388        0.0481468851
C7          1.6532915470       -0.0429816427       -1.2907511203
C2          1.4876930572       -0.8814222874       -2.3402167417
C1          2.2297944733       -0.6933368810       -3.6372028355
O1B         2.0370413750       -1.4595271062       -4.5674510593
O1A         3.0174686781        0.2303666674       -3.7659636635
C3          0.5525019212       -2.0817596669       -2.2583264808
C4          0.1619204584       -2.4603185127       -0.8082026957
N4         -0.9499417071       -3.4452961526       -0.8318306542
HAB        -1.1802725100       -3.6948646890        0.1343971058
HAA        -0.6257275291       -4.3189364597       -1.2587150288
C5         -0.2414015571       -1.1873590579       -0.0207398760
N5         -0.8329659727       -1.4527597652        1.3147993834
HAD        -1.7613538435       -1.0957968893        1.4791592425
C10        -0.2388237736       -2.0847778026        2.3480770000
C11        -1.0744186273       -2.1550792047        3.6096666713
O10         0.8802540517       -2.5637953038        2.2683766216
HM1        -0.3533235521       -1.8584175321       -2.8278593715
HM2         1.0091652319       -2.9572795022       -2.7261466987
HM3        -1.3205737287       -1.1486615319        3.9574727880
HM4        -0.5356777116       -2.6752114113        4.4056177068
HM5        -2.0085705054       -2.6883502777        3.4166781929
HM6         1.0396113924       -2.9029876805       -0.3203563337
HM7         2.3381832247        0.7991032941       -1.3606984221
HM8        -1.0100931223       -0.7103827731       -0.6334192734
HM9         2.3176934406        3.0017238058       -0.3790486543
HM10        1.4347105315        3.2429039875       -1.9012463106
HM11        1.8252056693        4.6266123674       -0.8688456332
HM12        0.3171415950        3.7405606114        0.9141681593
HM13       -0.5477082356        4.0724289784       -0.5813407109
HM14       -0.3734449642        1.6371199010       -1.2105776067
HM15       -2.4154036316        2.5818016012       -0.0828717896
HM16       -2.2010902527        0.8808379350        0.2243131358
HM17       -1.2309457913        1.4148118152        2.5044067409
HM18       -2.8780598825        2.0168691294        2.2947845060
HM19       -1.5191932068        3.1376919623        2.1932872943
HM20        1.6939370671       -0.6333706411        0.7422388774
           43
Energy of minimum    100=      -58.7299280614 first found at step       82
C82        -2.1085764899       -3.2754133642        1.2387435905
C81        -0.7572524501       -3.0486860711        0.5316505539
C8         -0.0151170560       -1.7426962830        0.9250904623
C9          0.3719379796       -1.6682485810        2.4325457305
C91        -0.6694148003       -1.0033505569        3.3615077446
O7         -0.8086988663       -0.5953805820        0.4924445859
C6         -0.1439263612        0.6919231640        0.3609504004
C7         -1.2113919200        1.7300558282        0.6536146227
C2         -1.4540333381        2.8252011798       -0.1031797758
C1         -2.5179426021        3.8280888053        0.2585594577
O1B        -2.7204256181        4.7910956779       -0.4633739074
O1A        -3.1876935341        3.6761729262        1.2679548323
C3         -0.6382480413        3.1136289564       -1.3535145307
C4          0.7035336060        2.3466587289       -1.3721336550
N4          1.3759253820        2.5425622958       -2.6847315558
HAB         1.4688922890        3.5443459991       -2.8803383919
HAA         0.7805057435        2.1787893921       -3.4342140172
C5          0.4594946114        0.8443500157       -1.0633191014
N5          1.6956049644        0.0483068330       -1.2340062125
HAD         2.4839554916        0.2861819735       -0.6530157590
C10         1.8848275841       -0.8977984417       -2.1747256921
C11         3.2635738886       -1.5251432508       -2.1803477755
O10         1.0017413944       -1.2243302342       -2.9511928319
HM1        -1.2277891566        2.8411413874       -2.2327204415
HM2        -0.4220714990        4.1818208598       -1.4345787708
HM3         3.3429568794       -2.2840738332       -2.9626512148
HM4         3.4684185068       -1.9975352356       -1.2163579426
HM5         4.0265096168       -0.7629722276       -2.3570382053
HM6         1.3406308317        2.7558630181       -0.5771430751
HM7        -1.8009929170        1.5435323943        1.5493043418
HM8        -0.2986592523        0.4866912951       -1.7678821667
HM9        -1.9630965086       -3.4861770773        2.2996976576
HM10       -2.7610272414       -2.4059747041        1.1325966175
HM11       -2.6170010254       -4.1361587000        0.7988167855
HM12       -0.1075501558       -3.9041818092        0.7325223600
HM13       -0.9276739730       -3.0386553950       -0.5479476077
HM14        0.9170882043       -1.7580784975        0.3582249153
HM15        0.5850701479       -2.6753157769        2.7995007147
HM16        1.3074561412       -1.1106234645        2.5219912498
HM17       -0.7713502850        0.0594357215        3.1377927643
HM18       -0.3446722468       -1.0904989544        4.4006346736
HM19       -1.6511650073       -1.4685751763        3.2776149895
HM20        0.6476470828        0.7840217641        1.1126535807
