           43
Energy of minimum      1=      -87.2898161707 first found at step     1714
C82         2.8630034405       -1.8608086211       -0.0498317315
C81         2.8685473033       -0.4135274344       -0.5897621394
C8          2.2071450862        0.6205225865        0.3615818183
C9          2.9395405590        0.7177191585        1.7217800459
C91         2.4251119429        1.9009291875        2.5664155720
O7          0.8219423901        0.2522281086        0.6094294859
C6         -0.1432563095        0.6287150904       -0.4092224284
C7         -0.5384990909        2.0773399383       -0.1862745684
C2         -1.8088310604        2.5371847223       -0.2564540562
C1         -2.1339881992        3.9933457423       -0.0600604796
O1B        -3.2919411418        4.3764825209       -0.1136999156
O1A        -1.2402105647        4.7956486717        0.1586746211
C3         -2.9718475361        1.6009605028       -0.5605322022
C4         -2.5158879331        0.2528936746       -1.1631504202
N4         -3.6724659865       -0.6711604333       -1.2410274253
HAB        -3.3420546236       -1.5636072203       -1.6156847322
HAA        -3.9776603248       -0.8960387624       -0.2902331891
C5         -1.3528713291       -0.3350978903       -0.3191657048
N5         -0.9814384442       -1.7050834880       -0.7402671207
HAD        -0.3720920295       -1.7977095527       -1.5368427793
C10        -1.3457284413       -2.8330536536       -0.1083302626
C11        -0.7948086714       -4.1005857313       -0.7077173342
O10        -2.0726337549       -2.8241154107        0.8691364761
HM1        -3.5248735979        1.4146336625        0.3638373332
HM2        -3.6707806924        2.0683145474       -1.2587719447
HM3        -1.1355510955       -4.9691610404       -0.1409872336
HM4         0.2967081946       -4.0800977639       -0.6953093285
HM5        -1.1291299183       -4.2032245216       -1.7420311984
HM6        -2.1428320977        0.4349875859       -2.1778407978
HM7         0.2821259550        2.7586744361        0.0274054745
HM8        -1.6728790321       -0.3575096483        0.7275675350
HM9         3.4805809995       -1.9489932652        0.8462062766
HM10        3.2660407651       -2.5419154136       -0.8025152185
HM11        1.8492978788       -2.1851697070        0.1936529218
HM12        3.9009323817       -0.1109085843       -0.7808828909
HM13        2.3601361829       -0.3950601654       -1.5558936682
HM14        2.2407898766        1.6038597986       -0.1174663088
HM15        2.8125855426       -0.2072833536        2.2888580255
HM16        4.0101816626        0.8498742298        1.5477266720
HM17        1.3642479204        1.7825749629        2.7986746553
HM18        2.5602466610        2.8435105288        2.0309565585
HM19        2.9746518603        1.9607773448        3.5088446323
HM20        0.3084452719        0.5289346598       -1.4007930247
           43
Energy of minimum      2=      -87.2595595442 first found at step     1357
C82        -2.2251332255        2.2800868042       -1.2321343535
C81        -2.4203889331        0.7739963539       -1.5144954664
C8         -2.3037164081       -0.1273324905       -0.2552418642
C9         -3.3808899696        0.2053116670        0.8054283214
C91        -3.4070446245       -0.8366069836        1.9419808148
O7         -0.9924387594        0.0363441961        0.3527291495
C6          0.0983606769       -0.7176896120       -0.2410608359
C7          0.0678384871       -2.1292115157        0.3167394091
C2          1.1650380400       -2.8101625127        0.7199576847
C1          1.0745883872       -4.2223276732        1.2321206605
O1B         2.0803285916       -4.8062019007        1.6037432063
O1A        -0.0067018461       -4.7868459887        1.2821581650
C3          2.5521741985       -2.1832683185        0.6533819941
C4          2.6060935441       -0.9403468009       -0.2634392687
N4          3.9226562872       -0.2746338991       -0.1182141600
HAB         3.9250167705        0.5585779942       -0.7113050149
HAA         4.0006079457        0.0947436203        0.8332092602
C5          1.4278426842        0.0134803392        0.0721269202
N5          1.5164114955        1.3021686281       -0.6515031225
HAD         1.1875672191        1.3245850377       -1.6032404619
C10         1.9485092496        2.4580550458       -0.1207349008
C11         1.8951648874        3.6413127266       -1.0516878516
O10         2.3582354526        2.5338903833        1.0239552656
HM1         2.8596291091       -1.9004155642        1.6635705002
HM2         3.2857308427       -2.9075802195        0.2904309320
HM3         0.8660493360        3.8244011949       -1.3661210160
HM4         2.5012382897        3.4493901860       -1.9394368134
HM5         2.2742992384        4.5365656075       -0.5548205899
HM6         2.4922324122       -1.2706176676       -1.3026124191
HM7        -0.9155185685       -2.5916654189        0.3661345229
HM8         1.4460312521        0.2067621835        1.1495621299
HM9        -3.0257089471        2.6689934595       -0.5997580276
HM10       -2.2367972596        2.8405368535       -2.1694932078
HM11       -1.2699589090        2.4661134505       -0.7370375836
HM12       -3.4023888894        0.6234646457       -1.9694047179
HM13       -1.6865104877        0.4559586197       -2.2578056806
HM14       -2.4339111451       -1.1698376910       -0.5614987129
HM15       -3.2012199686        1.1946165771        1.2324164914
HM16       -4.3635933945        0.2290305235        0.3281827690
HM17       -2.4525474595       -0.8591461831        2.4728405792
HM18       -3.6070763622       -1.8344435015        1.5448074033
HM19       -4.1909033203       -0.5915186685        2.6625678165
HM20       -0.0291959194       -0.7585334878       -1.3269979264
           43
Energy of minimum      3=      -87.2220079182 first found at step       35
C82        -1.3895895886        0.5174233931        3.0756605002
C81        -0.1037875647        1.2700116930        2.6676305111
C8         -0.1763755867        1.9352874410        1.2661985132
C9         -1.2896381823        3.0077620203        1.1838282122
C91        -1.2053091399        3.8236312929       -0.1221586515
O7         -0.4318244669        0.9260889787        0.2502206684
C6          0.7154328218        0.1638577816       -0.2123554171
C7          1.4398617526        0.9774050190       -1.2696382292
C2          1.9141407425        0.4657775604       -2.4286884597
C1          2.6561511230        1.3173769317       -3.4231298165
O1B         3.0589154560        0.8311565180       -4.4680700789
O1A         2.8532947472        2.4993233032       -3.1896296563
C3          1.7369516940       -1.0080100477       -2.7723031123
C4          1.3683823698       -1.8709882291       -1.5444280023
N4          1.0161328655       -3.2403290342       -1.9897463247
HAB         0.1626938025       -3.1934594186       -2.5521070823
HAA         0.7443769453       -3.7827195336       -1.1658297890
C5          0.2136751538       -1.1980183319       -0.7544233328
N5         -0.3017208274       -2.0547210582        0.3377303897
HAD         0.2144828326       -2.0665446545        1.2025353588
C10        -1.4369322513       -2.7711503282        0.2877802982
C11        -1.7685223304       -3.5205689284        1.5518420120
O10        -2.1350920347       -2.8133630708       -0.7095291267
HM1         0.9524504663       -1.1015665901       -3.5278287644
HM2         2.6509258816       -1.4138987574       -3.2131632225
HM3        -2.7005173523       -4.0761487186        1.4317084387
HM4        -1.8806693108       -2.8238108413        2.3848632388
HM5        -0.9689734694       -4.2242152893        1.7920774032
HM6         2.2431288424       -1.9295075441       -0.8861470264
HM7         1.5778675631        2.0308522713       -1.0362642886
HM8        -0.5986142147       -0.9880136591       -1.4577118509
HM9        -2.2280487194        1.2065545782        3.1946210576
HM10       -1.2373748174        0.0076190888        4.0294994233
HM11       -1.6593471999       -0.2322579041        2.3291453348
HM12        0.1090574859        2.0381845539        3.4149833090
HM13        0.7369502541        0.5738883484        2.6959987584
HM14        0.7832292640        2.4202487473        1.0623856397
HM15       -2.2743846085        2.5394015266        1.2490016339
HM16       -1.1965187315        3.6914192557        2.0311755689
HM17       -0.2349665242        4.3186755467       -0.2053096174
HM18       -1.3424966945        3.1801866294       -0.9941390166
HM19       -1.9830684703        4.5907854989       -0.1401890817
HM20        1.3956700219       -0.0236260390        0.6239036776
           43
Energy of minimum      4=      -87.1917290516 first found at step        2
C82        -3.2394856382        0.5675581200       -0.9210668002
C81        -2.8416776762       -0.7733555711       -0.2654398561
C8         -1.9875809564       -0.6203696831        1.0225602444
C9         -2.7419695791        0.1423646502        2.1385623312
C91        -1.9875753820        0.0872076430        3.4825120285
O7         -0.7594838045        0.0986429366        0.7213021694
C6          0.3230768910       -0.6775740642        0.1410301367
C7          1.0652854017       -1.3824756035        1.2620892528
C2          2.4130219512       -1.4616168717        1.3483651268
C1          3.0907618944       -2.2058219060        2.4670884159
O1B         4.3094550996       -2.2468428255        2.5273669980
O1A         2.4230091797       -2.7670690776        3.3211919057
C3          3.3106662202       -0.8162064167        0.2999448092
C4          2.5565510759       -0.4649719276       -1.0024326942
N4          3.4388664101        0.3354561527       -1.8846484283
HAB         3.6282044714        1.2334542650       -1.4323715467
HAA         2.9087994215        0.5839026346       -2.7238047257
C5          1.2374153693        0.2801813020       -0.6633325813
N5          0.5495088585        0.7940397895       -1.8696323561
HAD        -0.0118383614        0.1447642702       -2.3967508051
C10         0.5675665297        2.0717039135       -2.2841772796
C11        -0.2558710561        2.3497169624       -3.5147438114
O10         1.2097817828        2.9321609345       -1.7088184155
HM1         3.7463731368        0.0935343753        0.7213064226
HM2         4.1429803312       -1.4770959090        0.0451293895
HM3        -1.3043632070        2.1125591366       -3.3253267288
HM4         0.0942200819        1.7372639867       -4.3481669819
HM5        -0.1799579339        3.4018747681       -3.7963514605
HM6         2.2985195067       -1.3982569712       -1.5165699007
HM7         0.4374256631       -1.8521275531        2.0160604462
HM8         1.4840445197        1.1209483202       -0.0069688381
HM9        -3.9065344158        1.1398027449       -0.2732579759
HM10       -3.7633493233        0.3827825702       -1.8614429398
HM11       -2.3586996054        1.1756550004       -1.1367084647
HM12       -3.7489333997       -1.3331416806       -0.0257375774
HM13       -2.2946273598       -1.3744472221       -0.9945899949
HM14       -1.7408795984       -1.6190851849        1.3957415709
HM15       -2.8875481259        1.1868727326        1.8537040224
HM16       -3.7318736286       -0.3002831861        2.2735027158
HM17       -1.8433324672       -0.9477445463        3.8012838313
HM18       -1.0085913001        0.5647948873        3.4007053042
HM19       -2.5557999918        0.6074482222        4.2572575292
HM20       -0.0855609856       -1.4262041186       -0.5443644879
           43
Energy of minimum      5=      -87.1066433926 first found at step      405
C82        -1.1558600871       -3.0033180405        1.1523323720
C81        -0.9921351289       -2.7642349841       -0.3652334602
C8          0.3786734386       -2.1562177767       -0.7704439424
C9          1.5623862831       -3.0832272054       -0.4019458950
C91         2.8892959965       -2.5892391642       -1.0129929483
O7          0.5734557767       -0.8752072746       -0.1088315520
C6         -0.0828663921        0.2745144482       -0.7079634114
C7          0.7774825501        0.7806846197       -1.8518168013
C2          1.0337958257        2.0878524106       -2.0879988373
C1          1.8663161053        2.5308940376       -3.2607491321
O1B         2.3216152100        1.7042993798       -4.0357606165
O1A         2.0932786993        3.7169057666       -3.4384411465
C3          0.4710772537        3.1787606421       -1.1852886782
C4         -0.6902808310        2.6823691228       -0.2946528215
N4         -1.0421579629        3.7327325530        0.6904137294
HAB        -0.2521966258        3.8630678346        1.3274291677
HAA        -1.7891673241        3.3703841345        1.2883617310
C5         -0.2950318779        1.3463654521        0.3905192134
N5         -1.2934229352        0.9022741493        1.3895741077
HAD        -2.1046558326        0.4116661288        1.0497616990
C10        -1.1686749372        1.0388111031        2.7200384840
C11        -2.2979678273        0.4511076961        3.5255873585
O10        -0.2169617618        1.6042154461        3.2285455443
HM1         1.2753012197        3.5598340372       -0.5504433022
HM2         0.1099202391        4.0223271989       -1.7789526148
HM3        -2.1256867441        0.6062991760        4.5923237744
HM4        -2.3781989773       -0.6210275300        3.3358442357
HM5        -3.2423044424        0.9248322501        3.2500650406
HM6        -1.5611716916        2.4935041581       -0.9332680154
HM7         1.1829786990        0.0136192357       -2.5078674222
HM8         0.6679286023        1.4948918282        0.8897229083
HM9        -0.4474208525       -3.7521683175        1.5119775973
HM10       -1.0022535989       -2.0805024173        1.7146720828
HM11       -2.1634913572       -3.3666315089        1.3671398060
HM12       -1.1265071467       -3.7138672511       -0.8888078443
HM13       -1.7959318286       -2.1097768460       -0.7084105253
HM14        0.3842669482       -2.0081567545       -1.8546714044
HM15        1.6713076987       -3.1475449847        0.6830965967
HM16        1.3604511207       -4.0919646111       -0.7703115361
HM17        3.1485877435       -1.5980827552       -0.6338480974
HM18        2.8154728120       -2.5361629008       -2.1016486967
HM19        3.7017652840       -3.2737923179       -0.7579810869
HM20       -1.0610113431       -0.0210901686       -1.0990756607
           43
Energy of minimum      6=      -87.0738781688 first found at step     1009
C82         1.4236229044        1.4333787429       -2.7526078227
C81         2.2232173664        0.4146191844       -1.9102427162
C8          1.4466641938       -0.8902595535       -1.5828501954
C9          1.0621406696       -1.6782339323       -2.8587361484
C91         0.5074230377       -3.0777394791       -2.5238901075
O7          0.2295345690       -0.5776407769       -0.8498231970
C6          0.3710718469       -0.3356534214        0.5760492318
C7          0.4119233379       -1.6737909003        1.2920072983
C2         -0.2532612162       -1.9414826742        2.4391859844
C1         -0.1453004214       -3.2781218312        3.1221597499
O1B         0.5645218768       -4.1520200715        2.6492310602
O1A        -0.7702659796       -3.4948609309        4.1479048117
C3         -1.1301916043       -0.8898749988        3.1075294341
C4         -0.8483535103        0.5410394897        2.5962339116
N4         -1.8703029409        1.4694122015        3.1358256650
HAB        -2.7811722727        1.2189177866        2.7429055002
HAA        -1.6829492642        2.4020985725        2.7592010310
C5         -0.8121495325        0.5484348140        1.0440223745
N5         -0.7165075774        1.9155926041        0.4837885496
HAD         0.1972469174        2.3367616773        0.4393866940
C10        -1.7417543480        2.6115595084       -0.0348016620
C11        -1.3728675439        3.9610764554       -0.5938524852
O10        -2.8815806738        2.1816575171       -0.0403182985
HM1        -2.1789491219       -1.1383695616        2.9248267891
HM2        -0.9867099403       -0.9000629680        4.1909433718
HM3        -0.6540480084        3.8457338192       -1.4071164995
HM4        -0.9216085695        4.5803166713        0.1840613683
HM5        -2.2583435042        4.4709774516       -0.9785712119
HM6         0.1372325825        0.8523788423        2.9618005103
HM7         1.0374464160       -2.4337989034        0.8291081160
HM8        -1.7321712906        0.0779512853        0.6824056881
HM9         2.0091173729        2.3451357475       -2.8897952526
HM10        0.4881097196        1.7031601496       -2.2593345871
HM11        1.1920559449        1.0328437176       -3.7417341955
HM12        3.1400505411        0.1559454137       -2.4454956320
HM13        2.5370965233        0.8940452003       -0.9808354565
HM14        2.0871192652       -1.5282758771       -0.9662323878
HM15        0.3157081854       -1.1273531902       -3.4355152857
HM16        1.9448218775       -1.7934824761       -3.4925237531
HM17        1.2416735468       -3.6587738692       -1.9610149418
HM18       -0.4060972100       -3.0038797614       -1.9295714270
HM19        0.2724509682       -3.6214677604       -3.4419951375
HM20        1.3043348667        0.2021060851        0.7682812612
           43
Energy of minimum      7=      -87.0449143593 first found at step     3953
C82         0.2743485004        2.7145726446        2.0587868637
C81         1.5249825158        2.1442290750        1.3534098050
C8          1.3377466330        1.8886325084       -0.1673253778
C9          1.0219227271        3.1894271239       -0.9450224691
C91         1.0728566367        2.9729408199       -2.4711115124
O7          0.2520647861        0.9451776701       -0.3861164301
C6          0.5677338146       -0.4630611557       -0.2161054313
C7          1.2124083718       -0.9717187995       -1.4930169372
C2          0.9145689387       -2.1566484222       -2.0738721906
C1          1.6140394807       -2.6231904266       -3.3219908164
O1B         2.4829167203       -1.9328518294       -3.8315911072
O1A         1.3120926764       -3.6903207322       -3.8316695158
C3         -0.1329962318       -3.0879577977       -1.4764881031
C4         -0.4754265367       -2.7449546357       -0.0090211432
N4         -1.6369290869       -3.5545429599        0.4302071119
HAB        -2.4579299476       -3.2708897986       -0.1104522052
HAA        -1.8652337951       -3.2877695959        1.3912340035
C5         -0.7389430604       -1.2210571338        0.1283116827
N5         -1.2384498459       -0.8490549682        1.4715411819
HAD        -0.5579365362       -0.7322663171        2.2047164151
C10        -2.5206287834       -0.5861625941        1.7736368772
C11        -2.7627892187       -0.1731157535        3.2020440597
O10        -3.4149459358       -0.6854543482        0.9524531934
HM1        -1.0413449742       -3.0304186375       -2.0819737134
HM2         0.2072537033       -4.1258758947       -1.5143207028
HM3        -3.8246863871        0.0176809424        3.3683743331
HM4        -2.2032076167        0.7357696660        3.4316419262
HM5        -2.4374826023       -0.9630823952        3.8819186323
HM6         0.3875355268       -2.9996113103        0.6173938528
HM7         1.9657789050       -0.3195587688       -1.9292617486
HM8        -1.4853993443       -0.9386653644       -0.6210977884
HM9        -0.5895084566        2.0629387228        1.9153176068
HM10        0.0274055548        3.7084152116        1.6802413305
HM11        0.4575848323        2.8020769791        3.1322056630
HM12        2.3576365204        2.8373305621        1.4958359902
HM13        1.8145272166        1.2136117668        1.8456427575
HM14        2.2672455898        1.4692502507       -0.5643882280
HM15        0.0338101825        3.5659187423       -0.6707665044
HM16        1.7504633347        3.9579007766       -0.6753585859
HM17        2.0578946734        2.6124241395       -2.7765221752
HM18        0.3231465021        2.2442241395       -2.7874799766
HM19        0.8755404652        3.9120679862       -2.9934789751
HM20        1.2703335514       -0.5863600884        0.6135183510
           43
Energy of minimum      8=      -87.0187352469 first found at step     3672
C82         0.8806362764        1.5141313703       -2.9357522432
C81        -0.0463570406        2.2391705396       -1.9347947657
C8          0.4647028193        2.2250974375       -0.4679555849
C9          1.8266990397        2.9450874211       -0.3156695861
C91         2.2125248091        3.1369411348        1.1651203291
O7          0.6128978604        0.8545398062       -0.0028511576
C6         -0.5964761299        0.1819553984        0.4407073547
C7         -0.8821203405        0.5952098150        1.8733627422
C2         -1.2701523080       -0.2600537671        2.8470776379
C1         -1.5735062012        0.2155267733        4.2422546159
O1B        -1.4829758196        1.4016218833        4.5182796684
O1A        -1.9061924654       -0.5828111445        5.1034674031
C3         -1.4393273978       -1.7486662889        2.5695581706
C4         -1.5292173753       -2.0725386011        1.0611148453
N4         -1.4849225126       -3.5414744126        0.8669697718
HAB        -0.5666115660       -3.8837649373        1.1608331279
HAA        -1.5128552611       -3.7302716841       -0.1382383140
C5         -0.3888128939       -1.3467398003        0.2973968428
N5         -0.3120972109       -1.7481428828       -1.1256917510
HAD        -0.9427812973       -1.2991802934       -1.7698826289
C10         0.5787420901       -2.6136401427       -1.6373552083
C11         0.4859247231       -2.8109656234       -3.1280693761
O10         1.3903335114       -3.1976172013       -0.9414211939
HM1        -0.5924780253       -2.2861761328        3.0042433804
HM2        -2.3402560923       -2.1315948201        3.0555308047
HM3         0.6650458241       -1.8652555956       -3.6428094363
HM4        -0.5084652298       -3.1716060741       -3.3989499705
HM5         1.2268556381       -3.5388693620       -3.4646100047
HM6        -2.4867101724       -1.6966103113        0.6818611165
HM7        -0.7697987426        1.6560136120        2.0861016465
HM8         0.5574709841       -1.5935050948        0.7895444785
HM9         1.0533102908        0.4796252669       -2.6333787827
HM10        1.8453462298        2.0189922527       -3.0160880073
HM11        0.4248360947        1.5049165371       -3.9285401797
HM12       -0.1708873705        3.2760905650       -2.2561648654
HM13       -1.0380943904        1.7845249993       -1.9787468066
HM14       -0.2682705907        2.7426780747        0.1584241555
HM15        2.6140566157        2.3795479048       -0.8192175073
HM16        1.7726006731        3.9261203505       -0.7938843354
HM17        1.4493556577        3.7160127844        1.6902838267
HM18        2.3241347955        2.1735179461        1.6676555492
HM19        3.1616297833        3.6726126825        1.2426887895
HM20       -1.4377372822        0.4795496146       -0.1924045514
           43
Energy of minimum      9=      -86.9959118505 first found at step      708
C82        -0.0081828011        3.2056255346       -0.9446355188
C81        -1.3592285009        2.5434307588       -1.2802079880
C8         -1.2677548723        0.9991440107       -1.2438638571
C9         -2.5397525719        0.3233147411       -1.8246044000
C91        -3.8347107494        0.6291708770       -1.0395776765
O7         -1.0652688979        0.5849164339        0.1360007034
C6         -0.4927579605       -0.7329374306        0.3544261677
C7         -1.1967703989       -1.3111600285        1.5653867413
C2         -0.5728068372       -1.9492401131        2.5817952230
C1         -1.3386545625       -2.5297882896        3.7398388043
O1B        -2.5559305892       -2.4390561342        3.7761828080
O1A        -0.7458538601       -3.0869546461        4.6497061468
C3          0.9390451185       -2.1319793404        2.5863697194
C4          1.5677792522       -1.9308730114        1.1896772478
N4          3.0455752049       -1.9427351167        1.3074585263
HAB         3.4398603181       -1.7774653887        0.3783527861
HAA         3.3386169680       -1.1281177152        1.8534769073
C5          1.0427193746       -0.6135387126        0.5568800768
N5          1.7479594900       -0.2815554466       -0.7017186878
HAD         1.4752272492       -0.7793137265       -1.5341650122
C10         2.6986748464        0.6593431784       -0.8284260583
C11         3.2206946495        0.8446927556       -2.2290268312
O10         3.1055016580        1.3048205668        0.1207993617
HM1         1.3792826081       -1.4184750100        3.2878629129
HM2         1.2063889597       -3.1307496578        2.9405646178
HM3         2.4056699513        1.1307713078       -2.8966803545
HM4         3.6588772110       -0.0865789084       -2.5936549245
HM5         3.9837748590        1.6252303884       -2.2530559699
HM6         1.2597621181       -2.7640648912        0.5471918655
HM7        -2.2785448362       -1.1919103589        1.5662114386
HM8         1.2074285788        0.1919766479        1.2795830528
HM9        -0.1029932682        4.2932116581       -0.9766769905
HM10        0.7552133067        2.9078758884       -1.6666056767
HM11        0.3281926833        2.9212541503        0.0553031660
HM12       -2.1143185863        2.8918376332       -0.5720047387
HM13       -1.6704592769        2.8672394697       -2.2762624369
HM14       -0.4082011487        0.6928607575       -1.8461392157
HM15       -2.6712309562        0.6453879658       -2.8603741441
HM16       -2.3933046759       -0.7582762807       -1.8567936286
HM17       -3.7414439050        0.3266870579        0.0056057316
HM18       -4.0759151866        1.6933651639       -1.0750640787
HM19       -4.6742116730        0.0819632133       -1.4749267294
HM20       -0.6979482905       -1.3793499520       -0.5042090869
           43
Energy of minimum     10=      -86.7968874610 first found at step     3134
C82        -2.8132797312       -1.8207358964       -0.0972823520
C81        -1.7263206682       -2.4530360036       -0.9894061013
C8         -0.5784175452       -1.4603803158       -1.2933244248
C9          0.3825103180       -1.9961582831       -2.3896724701
C91         1.1227343094       -3.2961698982       -2.0039027625
O7          0.1537335316       -1.2140935435       -0.0603137874
C6          0.9532078828       -0.0020262203        0.0072556144
C7          2.2079315296       -0.3605005669        0.7779424605
C2          2.7463818543        0.3969887930        1.7606625877
C1          4.0155895321       -0.0039757283        2.4628046151
O1B         4.5924621657       -1.0324521034        2.1453522584
O1A         4.4689682730        0.6931237176        3.3562302299
C3          2.1022889915        1.7101846599        2.1840843685
C4          1.1144019236        2.2557468415        1.1293302888
N4          0.3994119634        3.4297096020        1.6845850367
HAB        -0.1825966453        3.1203074918        2.4670488217
HAA        -0.2724240451        3.7530663683        0.9839524359
C5          0.1375799332        1.1326028862        0.6865414841
N5         -0.9394337095        1.6474033925       -0.1891718470
HAD        -0.7132296690        1.8157108546       -1.1565038929
C10        -2.2075338816        1.8689166267        0.1955099670
C11        -3.1274925402        2.3350211878       -0.9020649889
O10        -2.5766351124        1.7073957009        1.3446792988
HM1         1.5749002795        1.5570315719        3.1292775093
HM2         2.8634962621        2.4730777190        2.3657663601
HM3        -4.1381906532        2.4804536205       -0.5159181585
HM4        -3.1615408552        1.5944815342       -1.7038388089
HM5        -2.7700692610        3.2800908998       -1.3158406863
HM6         1.6865249340        2.5758255817        0.2506307731
HM7         2.6794286789       -1.2937257832        0.4758738318
HM8        -0.3115086274        0.7064390776        1.5893244265
HM9        -2.3989815306       -1.5147202126        0.8659765949
HM10       -3.6132627651       -2.5406190341        0.0889104782
HM11       -3.2488039252       -0.9446092549       -0.5828563974
HM12       -1.3319894543       -3.3439580301       -0.4956198191
HM13       -2.1866446753       -2.7752680004       -1.9265021062
HM14       -1.0198126251       -0.5253533030       -1.6483230215
HM15       -0.1872445118       -2.1736130461       -3.3049541380
HM16        1.1200173350       -1.2285564111       -2.6328500780
HM17        1.7018319357       -3.1617166728       -1.0878429498
HM18        0.4222892991       -4.1205532092       -1.8565611641
HM19        1.8137077152       -3.5835398096       -2.7999586244
HM20        1.2460137845        0.3121831990       -0.9990308624
           43
Energy of minimum     11=      -86.7695372017 first found at step      313
C82        -2.8184854280        0.4804270031       -1.7461696636
C81        -1.5875801725        0.8916539415       -2.5786051857
C8         -0.3296356511        1.0773436616       -1.6963548604
C9          0.8372187611        1.7441999138       -2.4748764480
C91         1.3523347147        0.9184551314       -3.6746925791
O7          0.0801319544       -0.2275388875       -1.1999226523
C6          0.9184429904       -0.2514835339       -0.0127930306
C7          1.9180718897       -1.3721417535       -0.2165043141
C2          2.2506959187       -2.2825908869        0.7268570847
C1          3.2783001124       -3.3509221448        0.4673846079
O1B         3.8425713643       -3.4081973784       -0.6141127266
O1A         3.5463215221       -4.1676828621        1.3338573452
C3          1.6149401828       -2.2504779969        2.1102175967
C4          0.9519241161       -0.8922866708        2.4297513165
N4          0.2041787218       -0.9969410137        3.7055192384
HAB        -0.5704532629       -1.6532607375        3.5793822985
HAA        -0.2535825486       -0.0986983638        3.8799233994
C5          0.0388314039       -0.4577805206        1.2510803155
N5         -0.7580175389        0.7460123692        1.5793428707
HAD        -0.2960119343        1.6397269907        1.5255729662
C10        -2.0625573583        0.7437040275        1.9011465125
C11        -2.6588361277        2.1080260580        2.1287452239
O10        -2.7051853701       -0.2855452090        2.0053995769
HM1         0.8649013958       -3.0432349440        2.1732051283
HM2         2.3599834999       -2.4569147872        2.8827133643
HM3        -2.5593972508        2.7145163339        1.2264468919
HM4        -2.1412085053        2.6133330615        2.9466430523
HM5        -3.7180184514        2.0257997120        2.3807077154
HM6         1.7406186879       -0.1396202387        2.5452912835
HM7         2.3832706172       -1.3974160101       -1.2000787525
HM8        -0.6427088373       -1.2864652852        1.0340388943
HM9        -3.0479925531        1.2419669203       -0.9977677676
HM10       -2.6452163917       -0.4693201661       -1.2352369270
HM11       -3.6907191516        0.3646530272       -2.3936562205
HM12       -1.4020581569        0.1332746110       -3.3425447432
HM13       -1.8117396781        1.8281040084       -3.0950411329
HM14       -0.5947222650        1.7212727145       -0.8534947476
HM15        0.5100913168        2.7225195328       -2.8350470582
HM16        1.6685542736        1.9319984438       -1.7922938375
HM17        1.6848956850       -0.0718611022       -3.3564439117
HM18        0.5769077439        0.7992643819       -4.4339492636
HM19        2.2008195176        1.4249853425       -4.1407723757
HM20        1.4701202437        0.6891433062        0.0771315157
           43
Energy of minimum     12=      -86.7132984187 first found at step     1775
C82        -1.2252852794        0.1149497330        3.0171532138
C81        -0.1456481360       -0.9844515096        2.9570563992
C8          0.3044463499       -1.2819536889        1.5052340670
C9          1.3350231683       -2.4397688474        1.4387280007
C91         0.7147471257       -3.8133644074        1.7678007452
O7          0.9252265826       -0.0789481465        0.9745403126
C6          0.9668943626        0.0590623146       -0.4720007318
C7          2.3087193317        0.6796654041       -0.8042769668
C2          2.4874866015        1.6903528307       -1.6852183212
C1          3.8549720770        2.2377901762       -1.9931701167
O1B         3.9837925452        3.1604835530       -2.7821631331
O1A         4.8399704414        1.7648231962       -1.4485592426
C3          1.3082961150        2.3046214918       -2.4277338036
C4          0.0545544714        1.4022463989       -2.4048770276
N4         -1.0937936510        2.1388082316       -2.9849852609
HAB        -1.9173672917        1.5345715415       -2.9345621926
HAA        -1.3224117125        2.9263593039       -2.3724802231
C5         -0.2286957175        0.9254573314       -0.9541401387
N5         -1.5175443699        0.2052713324       -0.8461713434
HAD        -1.5388943009       -0.7588397728       -1.1377887231
C10        -2.6535544114        0.7262098676       -0.3531807694
C11        -3.8148446744       -0.2312099445       -0.2975140794
O10        -2.7319156035        1.8846972500        0.0141160228
HM1         1.0682545615        3.2695982534       -1.9736447945
HM2         1.5686124596        2.5011371495       -3.4708468406
HM3        -4.6931838442        0.2596043880        0.1259867593
HM4        -3.5616959924       -1.0934611166        0.3228559809
HM5        -4.0592497732       -0.5841661696       -1.3013971653
HM6         0.2523789798        0.5178934423       -3.0218632767
HM7         3.1576359531        0.2403009930       -0.2835248233
HM8        -0.2617287113        1.8111519673       -0.3116337063
HM9        -1.5198574254        0.2969443681        4.0529980245
HM10       -2.1129884047       -0.1895459188        2.4589541770
HM11       -0.8549906098        1.0537885378        2.5986188218
HM12        0.7173155362       -0.6818504516        3.5553601580
HM13       -0.5565348861       -1.8863616489        3.4137585200
HM14       -0.5727247129       -1.5368703827        0.9039838337
HM15        1.7611549525       -2.4971509259        0.4350263423
HM16        2.1617275451       -2.2388011775        2.1246979432
HM17        0.3853079685       -3.8632847532        2.8072791395
HM18       -0.1413312891       -4.0142891449        1.1195261961
HM19        1.4519624134       -4.6050534083        1.6133879630
HM20        0.9157612554       -0.9264176414       -0.9453299398
           43
Energy of minimum     13=      -86.6812746399 first found at step       28
C82         1.0906834857        3.0218501955       -0.5461978085
C81        -0.4451369392        3.0606093040       -0.4132198237
C8         -1.0668768423        1.6420488737       -0.4098075196
C9         -2.6166855546        1.6835887757       -0.3513516355
C91        -3.2515875539        2.2045533931       -1.6572215724
O7         -0.5780244164        0.9428611653        0.7676209190
C6         -0.6051918695       -0.5101273285        0.7311729413
C7         -1.0075169628       -0.9655162970        2.1192710672
C2         -0.4101513141       -1.9715092332        2.7979705485
C1         -0.8832070258       -2.3945278586        4.1624534711
O1B        -0.3148379063       -3.2965713901        4.7572153418
O1A        -1.8334596790       -1.8311159330        4.6821723323
C3          0.7576538793       -2.7417715512        2.1962677773
C4          0.8646301705       -2.5614825679        0.6656806718
N4          2.1184528332       -3.1872596741        0.1818660928
HAB         2.1825728946       -3.0321323342       -0.8269687007
HAA         2.9136167539       -2.6700268628        0.5663752447
C5          0.7855194381       -1.0533772475        0.3029799112
N5          1.0608957934       -0.8103982789       -1.1311241140
HAD         0.3132436876       -0.9803333341       -1.7847173570
C10         2.2203387935       -0.3460175884       -1.6262125963
C11         2.2292669802       -0.1311652702       -3.1169604473
O10         3.1862924326       -0.1228045271       -0.9189078302
HM1         1.6845826392       -2.4030806215        2.6664679059
HM2         0.6663328501       -3.8099420322        2.4087293970
HM3         1.4592237102        0.5911375169       -3.3948603752
HM4         2.0274903382       -1.0714854825       -3.6339894009
HM5         3.1997029433        0.2481295749       -3.4433044325
HM6         0.0144253782       -3.0700610662        0.1962293963
HM7        -1.8470723333       -0.4250339007        2.5527551105
HM8         1.5337998746       -0.5255945285        0.9028773632
HM9         1.4940781632        4.0368099133       -0.5473301093
HM10        1.3817881922        2.5384672298       -1.4810273468
HM11        1.5442361579        2.4762586290        0.2846638538
HM12       -0.7189277866        3.5847938130        0.5057537182
HM13       -0.8416851962        3.6410213410       -1.2479189961
HM14       -0.7480413701        1.1096372562       -1.3102422981
HM15       -3.0059542108        0.6801240275       -0.1674387707
HM16       -2.9385249565        2.3083770606        0.4855729704
HM17       -3.0036511326        3.2534216317       -1.8302607644
HM18       -2.9082275691        1.6182274609       -2.5126903172
HM19       -4.3400411390        2.1237413493       -1.6039282945
HM20       -1.3640256316       -0.8543236030        0.0215844765
           43
Energy of minimum     14=      -86.6421547702 first found at step      546
C82         1.2012968025        1.2169204530        2.7494894903
C81         1.1078361010        2.3548960436        1.7141585673
C8          1.3085523573        1.8800977864        0.2519181668
C9          1.3679429342        3.1064800838       -0.6913385471
C91         1.6770003862        2.7179599610       -2.1513586004
O7          0.1844235693        1.0499321311       -0.1549284242
C6          0.3826612535       -0.3914778370       -0.1426906636
C7          1.1975145829       -0.7938324472       -1.3597270407
C2          0.9185771809       -1.8592425488       -2.1452748461
C1          1.7910090089       -2.2290929173       -3.3145932493
O1B         2.7865121806       -1.5694030024       -3.5692160630
O1A         1.5042636490       -3.1867234077       -4.0149441799
C3         -0.2818120353       -2.7542362032       -1.8653165651
C4         -0.8354410796       -2.5840866646       -0.4330248374
N4         -2.1144556601       -3.3240097555       -0.3067171608
HAB        -2.7992013147       -2.9206044893       -0.9509596942
HAA        -2.5017565760       -3.1436384455        0.6236204853
C5         -1.0081906311       -1.0774768311       -0.1087716281
N5         -1.6874354400       -0.8632700086        1.1891180022
HAD        -1.3036972981       -1.3274115815        1.9965405409
C10        -2.7098996231       -0.0157572960        1.3949350423
C11        -3.1428156152        0.1114733328        2.8323557569
O10        -3.2496928522        0.5904776267        0.4864698269
HM1        -1.0693381956       -2.5228977211       -2.5873075179
HM2        -0.0212194564       -3.8060538808       -2.0074804942
HM3        -2.3190206237        0.4949770304        3.4373870053
HM4        -3.4390184151       -0.8635185440        3.2246484334
HM5        -3.9889849541        0.7960855966        2.9182859551
HM6        -0.1107823118       -3.0051163073        0.2737446782
HM7         2.0661477494       -0.1738837113       -1.5669734286
HM8        -1.6115224374       -0.6364256812       -0.9085378663
HM9         1.1662918855        1.6272986152        3.7611116541
HM10        2.1379986439        0.6664021075        2.6357447851
HM11        0.3681371678        0.5208941210        2.6429917771
HM12        0.1408147732        2.8551166423        1.8100208373
HM13        1.8753322636        3.0945777199        1.9548408663
HM14        2.2461081324        1.3207758285        0.1709067288
HM15        0.4206735038        3.6504703486       -0.6532521647
HM16        2.1460332184        3.7905587218       -0.3436852475
HM17        0.8953169955        2.0733479517       -2.5594625507
HM18        2.6324441735        2.1924704454       -2.2153967836
HM19        1.7374449178        3.6126625726       -2.7755213547
HM20        0.9339510882       -0.6757158383        0.7581903085
           43
Energy of minimum     15=      -86.6147508022 first found at step      851
C82        -2.6299138831       -1.9814659178       -0.0257812969
C81        -1.3716231185       -2.8632373287        0.0985782764
C8         -0.1307911383       -2.2784004904       -0.6238116091
C9          1.0241919818       -3.3088975913       -0.5953871978
C91         2.2582781936       -2.8385887623       -1.3916388252
O7          0.3195263444       -1.0771403325        0.0634845208
C6         -0.0561678550        0.2024981680       -0.5180975012
C7          0.8211461835        0.4812422340       -1.7262470331
C2          1.3904678054        1.6790837237       -1.9934492292
C1          2.2173472612        1.9021066588       -3.2310495328
O1B         2.7319023814        2.9897808619       -3.4378359935
O1A         2.3798684244        0.9938412003       -4.0303432876
C3          1.1981577870        2.8704997694       -1.0634878151
C4          0.0087865865        2.6882701944       -0.0941873566
N4          0.0101451202        3.7849788627        0.9033025445
HAB         0.8511410280        3.7042941630        1.4803432464
HAA        -0.7604052442        3.6224244525        1.5567249100
C5          0.0876634572        1.2909062057        0.5760092473
N5         -0.9181080881        1.1174565278        1.6483424015
HAD        -1.8629602815        0.9093708722        1.3696872438
C10        -0.6562491837        1.1394988087        2.9655735095
C11        -1.8428004947        0.8580458402        3.8498503546
O10         0.4554694814        1.3762653927        3.4038275766
HM1         2.1148603087        3.0189058573       -0.4867418891
HM2         1.0336075695        3.7858563002       -1.6374843827
HM3        -1.5507777183        0.8913353591        4.9011966154
HM4        -2.2487794579       -0.1314479298        3.6295211941
HM5        -2.6241433169        1.6012143529        3.6786005941
HM6        -0.9217856994        2.7381215168       -0.6716641294
HM7         0.9588764482       -0.3542636020       -2.4079775655
HM8         1.0887147911        1.1835668159        1.0059703837
HM9        -2.5071070585       -1.0443178300        0.5186009637
HM10       -2.8426626744       -1.7564658847       -1.0734316637
HM11       -3.4945989445       -2.5003580155        0.3946450007
HM12       -1.1421185593       -3.0228869432        1.1551588541
HM13       -1.6015688711       -3.8419169294       -0.3297280762
HM14       -0.3826694644       -2.0522062159       -1.6647704321
HM15        1.3150625645       -3.5119952014        0.4384514531
HM16        0.6757001759       -4.2522456291       -1.0230378512
HM17        2.6732618939       -1.9219991556       -0.9664596309
HM18        1.9943693253       -2.6517415211       -2.4349741450
HM19        3.0369385994       -3.6046752038       -1.3687803266
HM20       -1.1002526609        0.1646863462       -0.8415021196
           43
Energy of minimum     16=      -86.5908778592 first found at step       94
C82        -1.6158162393       -1.8694218026        2.3943276161
C81        -1.0454252686       -0.4663266490        2.6977726409
C8         -1.4403302899        0.6203721394        1.6603624761
C9         -2.9734801554        0.8159505970        1.5692126638
C91        -3.3446878275        2.0522436598        0.7254430530
O7         -0.9400964707        0.2591091810        0.3422643768
C6          0.4535884429        0.5698287614        0.0685701601
C7          0.5535525868        2.0329950781       -0.3248011165
C2          1.3031288770        2.4956513767       -1.3512049838
C1          1.3883035508        3.9645926457       -1.6675150338
O1B         2.0612356508        4.3518480462       -2.6097300039
O1A         0.7808549609        4.7738342421       -0.9844835205
C3          2.1158705990        1.5494436223       -2.2255432229
C4          2.3202645065        0.1584465746       -1.5835070517
N4          2.9233541786       -0.7589836200       -2.5815086377
HAB         3.8645585629       -0.4365109809       -2.8222726528
HAA         3.0534585555       -1.6778649895       -2.1498379803
C5          0.9700165638       -0.3812400663       -1.0419042463
N5          1.0813098268       -1.7741441456       -0.5505488275
HAD         1.7308799231       -1.9527902232        0.1976496705
C10         0.3394212228       -2.8085132157       -0.9809282027
C11         0.6133646723       -4.1141396417       -0.2795822931
O10        -0.4838858027       -2.6995658307       -1.8726698683
HM1         1.6033046941        1.4303582059       -3.1837773444
HM2         3.0986777453        1.9747641203       -2.4434154534
HM3        -0.0441703218       -4.8972237535       -0.6617872094
HM4         0.4450272795       -4.0088432846        0.7940756762
HM5         1.6499881736       -4.4164578673       -0.4409432796
HM6         3.0078922605        0.2627437794       -0.7358505530
HM7        -0.0173800278        2.7232991428        0.2921026013
HM8         0.2509885567       -0.3447814597       -1.8660362531
HM9        -1.3237763551       -2.2047840082        1.3979153186
HM10       -1.2360018267       -2.5917374146        3.1201944691
HM11       -2.7060370232       -1.8743831100        2.4567159108
HM12       -1.3884017538       -0.1524930734        3.6866294898
HM13        0.0427732493       -0.5331311896        2.7581165242
HM14       -0.9925832083        1.5698214438        1.9695730141
HM15       -3.4445762689       -0.0679517711        1.1331002477
HM16       -3.3826037447        0.9418327586        2.5746396518
HM17       -2.9893947415        1.9447672651       -0.3019744135
HM18       -2.9040264108        2.9560813705        1.1524634031
HM19       -4.4294020546        2.1803676159        0.6981320204
HM20        1.0502611520        0.4029364706        0.9705611637
           43
Energy of minimum     17=      -86.5650345447 first found at step     1271
C82        -3.0269995451       -0.5819253580        0.9718356853
C81        -2.3395561722        0.3205958126        2.0156141432
C8         -0.8157438220        0.0659282004        2.1498496825
C9         -0.2539576482        0.8769056190        3.3433260814
C91         1.2371327978        0.5863414363        3.6094924567
O7         -0.1338006346        0.5069914760        0.9421213654
C6          0.2314302014       -0.5166549147       -0.0250551773
C7          1.4709397377       -1.2451002756        0.4643426994
C2          2.5242602918       -1.5679338541       -0.3206862418
C1          3.7067072973       -2.3278614189        0.2173282318
O1B         4.6503043368       -2.5913086462       -0.5112366116
O1A         3.7278063051       -2.6796271368        1.3861243168
C3          2.5507216115       -1.1985562050       -1.7983898002
C4          1.1537532449       -0.8395206887       -2.3523669995
N4          1.2912786669       -0.2931810238       -3.7241714863
HAB         1.8374835555        0.5710412132       -3.6865656478
HAA         0.3662820640        0.0031570044       -4.0477267649
C5          0.4501590547        0.1634773552       -1.4017101045
N5         -0.8231920492        0.6651699665       -1.9657763040
HAD        -1.5050693027       -0.0184689331       -2.2522213616
C10        -1.1926438456        1.9563070613       -2.0100470199
C11        -2.5948425763        2.1931726241       -2.5074727880
O10        -0.4453453932        2.8619161676       -1.6848288641
HM1         3.2237668268       -0.3483149054       -1.9365224435
HM2         2.9532239731       -2.0209405937       -2.3951273841
HM3        -2.8178747743        3.2616530171       -2.5238846667
HM4        -3.3139646503        1.6948665053       -1.8541104268
HM5        -2.7079004494        1.7953945096       -3.5179516997
HM6         0.5491626698       -1.7531453548       -2.3934884175
HM7         1.4635177031       -1.5274712705        1.5141399381
HM8         1.1329897267        1.0050045058       -1.2477213222
HM9        -2.8123236141       -1.6346857468        1.1694455599
HM10       -2.6947503958       -0.3378498598       -0.0379087614
HM11       -4.1097866231       -0.4412699801        1.0094141747
HM12       -2.5174794265        1.3690942531        1.7635774163
HM13       -2.8150101585        0.1396980158        2.9827498332
HM14       -0.6331549636       -0.9992744475        2.3245733741
HM15       -0.3889439400        1.9463513356        3.1623072143
HM16       -0.8200807048        0.6293058296        4.2446943408
HM17        1.3923476917       -0.4759059518        3.8114364672
HM18        1.8516661981        0.8726644753        2.7531703317
HM19        1.5827691717        1.1520903236        4.4779419254
HM20       -0.5852824366       -1.2381301422       -0.1185149449
           43
Energy of minimum     18=      -86.5381874899 first found at step       39
C82        -0.5868754378        2.1192471422        2.3753081637
C81        -0.0364823546        2.8915494850        1.1602891538
C8          0.9632244788        2.0707256558        0.3054060742
C9          1.5865692913        2.9784507940       -0.7832245500
C91         2.6772654493        2.2600298049       -1.6034315285
O7          0.2637243235        0.9808369045       -0.3588728493
C6          0.3850980507       -0.3445041788        0.2293147069
C7          1.7447694756       -0.9236342600       -0.1213461567
C2          1.9481967276       -2.1965749973       -0.5314446545
C1          3.3281602708       -2.7210620419       -0.8243878100
O1B         3.4795339333       -3.8700563000       -1.2084234755
O1A         4.3008423961       -1.9970761408       -0.6829955202
C3          0.7875108822       -3.1701746928       -0.6903026275
C4         -0.4889823230       -2.7061914928        0.0460791771
N4         -1.6213539564       -3.5899233467       -0.3230697890
HAB        -2.4707415077       -3.2292755051        0.1192286162
HAA        -1.7998028269       -3.5037493696       -1.3272030648
C5         -0.7836559174       -1.2215024520       -0.2915322189
N5         -2.0838903714       -0.7749206708        0.2576890444
HAD        -2.2503733048       -0.9272214109        1.2393382856
C10        -3.0159187432       -0.0885847548       -0.4251703427
C11        -4.1990593388        0.3545511897        0.3956264920
O10        -2.9143466292        0.1440998516       -1.6167171615
HM1         0.5688428976       -3.2865402206       -1.7550202415
HM2         1.0584241883       -4.1594081220       -0.3128659039
HM3        -4.7004800109       -0.5130853896        0.8286451675
HM4        -4.9136749018        0.8993930453       -0.2245936617
HM5        -3.8695951230        1.0073697922        1.2064693405
HM6        -0.3165039568       -2.7835297176        1.1259750898
HM7         2.5867222182       -0.2466160640       -0.0009645365
HM8        -0.8024082194       -1.1298887637       -1.3821379412
HM9        -1.1918726589        2.7823100647        2.9976735398
HM10        0.2292509880        1.7267239328        2.9862744406
HM11       -1.2203326068        1.2897330379        2.0581398513
HM12       -0.8681693919        3.2262915330        0.5351579813
HM13        0.4665957407        3.7885138701        1.5297146727
HM14        1.7610591314        1.6796199566        0.9448765329
HM15        0.8055692332        3.3407417407       -1.4566338775
HM16        2.0333802091        3.8551588891       -0.3078133514
HM17        3.4790163489        1.9061512981       -0.9513718098
HM18        2.2632010831        1.4057761370       -2.1435385184
HM19        3.1113423899        2.9448971692       -2.3357375288
HM20        0.3062198733       -0.2686514025        1.3175927892
           43
Energy of minimum     19=      -86.5065887816 first found at step      830
C82        -2.8306537204        1.2623337697        0.9161911372
C81        -1.9319182845        1.1143712383        2.1599676683
C8         -0.9639058250       -0.0949555675        2.0867169569
C9         -0.2448359769       -0.2713140595        3.4466861272
C91         0.6519842542       -1.5254192501        3.4861393965
O7          0.0474684492        0.1439655731        1.0677769010
C6         -0.1452307532       -0.5004392480       -0.2222950095
C7          0.2456953354       -1.9638236461       -0.1116769616
C2          0.9809303501       -2.6274124906       -1.0331263137
C1          1.3001606687       -4.0906441070       -0.8842079316
O1B         1.9795803724       -4.6593514160       -1.7241755061
O1A         0.8839694127       -4.7127950409        0.0801463565
C3          1.4999024925       -1.9275862679       -2.2827975284
C4          0.7691610042       -0.5974584436       -2.5728596856
N4          1.4634614147        0.1194772621       -3.6698417189
HAB         1.0072229273        1.0257636673       -3.8029137264
HAA         2.4131276362        0.3534510592       -3.3683149356
C5          0.6966556861        0.2579874015       -1.2813791384
N5          0.1515009077        1.6098506637       -1.5392626122
HAD        -0.7408308210        1.6694245573       -2.0024327406
C10         0.6917139968        2.7578047663       -1.0966122724
C11        -0.1284894456        3.9897336854       -1.3787787791
O10         1.7663832554        2.7965784621       -0.5238995441
HM1         2.5685714901       -1.7335384588       -2.1592232248
HM2         1.3946257729       -2.5726183695       -3.1587458824
HM3        -0.2744645283        4.1041766250       -2.4545572945
HM4         0.3733872045        4.8806816648       -0.9960130614
HM5        -1.1068498030        3.9061183633       -0.9012400504
HM6        -0.2553254345       -0.8242715654       -2.8905017055
HM7        -0.1269529358       -2.4822225168        0.7682432361
HM8         1.7144818166        0.3482098544       -0.8889207511
HM9        -3.3659900934        0.3319921185        0.7129182366
HM10       -2.2434011589        1.5304894839        0.0371144078
HM11       -3.5678856991        2.0522255620        1.0780080602
HM12       -1.3616242794        2.0348457059        2.3083594795
HM13       -2.5800482562        0.9964095136        3.0318305639
HM14       -1.5272016497       -1.0058979441        1.8599851670
HM15        0.3582794277        0.6135620117        3.6656598813
HM16       -0.9915970989       -0.3559410807        4.2400661838
HM17        0.0649081089       -2.4249991782        3.2877954729
HM18        1.4515631680       -1.4595298494        2.7450242399
HM19        1.1121381802       -1.6295450922        4.4716124382
HM20       -1.1996675688       -0.4396894169       -0.5064655365
           43
Energy of minimum     20=      -86.4745661377 first found at step        0
C82         1.1010210094       -2.9296522598        0.9303804647
C81         2.1626036443       -1.8625506766        1.2666046117
C8          1.8306477073       -0.4861041698        0.6381057155
C9          2.9346732051        0.5664267980        0.9222799774
C91         4.2461006669        0.2794753474        0.1622144154
O7          0.5830288016       -0.0172031330        1.2194686259
C6         -0.1740954377        0.9650147724        0.4606075191
C7         -0.7616075613        1.9254504019        1.4749822551
C2         -2.0398195509        2.3674648145        1.4608331734
C1         -2.5483108385        3.3484596230        2.4824415835
O1B        -3.7113986113        3.7183757868        2.4531390112
O1A        -1.7999421077        3.7720062805        3.3490899224
C3         -3.0182429013        1.9095094370        0.3877515369
C4         -2.3090096179        1.3062142111       -0.8447765503
N4         -3.3206185952        0.7286835651       -1.7617547451
HAB        -2.8289082516        0.3118364428       -2.5556854130
HAA        -3.7682610776       -0.0665894746       -1.2982660024
C5         -1.2613099709        0.2531479233       -0.3909469475
N5         -0.6789953474       -0.4804207105       -1.5374346405
HAD         0.0499991042       -0.0233619651       -2.0616332239
C10        -1.0222043302       -1.7238771599       -1.9127908194
C11        -0.2403602967       -2.2695103979       -3.0786446254
O10        -1.9001700079       -2.3537636186       -1.3512293971
HM1        -3.6929169208        1.1648488351        0.8181976330
HM2        -3.6395465877        2.7428911748        0.0502362902
HM3        -0.5678812807       -3.2835371304       -3.3158218448
HM4         0.8248480086       -2.2918970826       -2.8393120032
HM5        -0.3866913209       -1.6384267707       -3.9575367716
HM6        -1.7791599526        2.1106284884       -1.3682846033
HM7        -0.0657109753        2.2642315842        2.2403861958
HM8        -1.7674493156       -0.4601817395        0.2673694522
HM9         0.1205890731       -2.6467316580        1.3198960973
HM10        1.3785932895       -3.8884919225        1.3736216731
HM11        1.0208589218       -3.0646119581       -0.1503638596
HM12        2.2473403893       -1.7615152347        2.3514130009
HM13        3.1263175087       -2.2181261613        0.8982022167
HM14        1.7089122461       -0.6065887576       -0.4418308007
HM15        2.5857215487        1.5572478950        0.6243999627
HM16        3.1369598437        0.6094489081        1.9954108248
HM17        4.0584656412        0.1907527036       -0.9104431055
HM18        4.7157737092       -0.6415316586        0.5122336699
HM19        4.9560265755        1.0956946736        0.3167987114
HM20        0.4941299633        1.5268639730       -0.1993091868
           43
Energy of minimum     21=      -86.4538272343 first found at step      412
C82         1.3183034514        1.2907447732       -2.9048924181
C81         2.0326475210        0.1799878628       -2.1035579595
C8          1.1183132969       -1.0140068319       -1.7141263599
C9          0.5224105455       -1.7257954116       -2.9533710090
C91        -0.1783449191       -3.0466396836       -2.5754730345
O7          0.0238100654       -0.5527581184       -0.8729660068
C6          0.3193775245       -0.3763338541        0.5396641197
C7          0.2383511827       -1.7300847957        1.2226375240
C2         -0.3613364958       -1.9460244870        2.4155974458
C1         -0.3758132184       -3.3073555694        3.0572144651
O1B        -0.9379839094       -3.4756696755        4.1278252681
O1A         0.1718173342       -4.2492609377        2.5064689095
C3         -1.0347748514       -0.8123906601        3.1782773754
C4         -0.6049227193        0.5876859001        2.6843518906
N4         -1.4618163784        1.6177071473        3.3218134477
HAB        -1.1725788436        2.5408425871        2.9888060432
HAA        -1.2947271210        1.6290741941        4.3321201107
C5         -0.6776027469        0.6509799799        1.1356081546
N5         -0.4200521261        2.0151191807        0.6191090160
HAD         0.4673934843        2.4359755237        0.8402246934
C10        -1.2532263308        2.7142834590       -0.1699334053
C11        -0.7314532943        4.0618642803       -0.5984981203
O10        -2.3467537347        2.2939243704       -0.5053515349
HM1        -2.1180965500       -0.9133150381        3.0717104338
HM2        -0.8142410197       -0.8824378205        4.2463327946
HM3         0.2075274833        3.9450226750       -1.1428351764
HM4        -0.5504740224        4.6903415252        0.2758202231
HM5        -1.4522294404        4.5628621180       -1.2477484161
HM6         0.4365266956        0.7583969652        2.9818017281
HM7         0.7181292638       -2.5504249894        0.6936128017
HM8        -1.6849372216        0.3381439648        0.8442044520
HM9         2.0017053129        2.1251505005       -3.0770662670
HM10        0.4506065344        1.6698633646       -2.3627342549
HM11        0.9865267789        0.9240739798       -3.8785351858
HM12        2.8725309954       -0.1955045604       -2.6931142795
HM13        2.4638025794        0.6175778567       -1.2008412795
HM14        1.7196483645       -1.7406057297       -1.1591601472
HM15       -0.1938739310       -1.0739850929       -3.4588383426
HM16        1.3229492087       -1.9447495835       -3.6642379535
HM17        0.5207987923       -3.7267300751       -2.0832965314
HM18       -1.0180966580       -2.8643620570       -1.9011083600
HM19       -0.5627421566       -3.5408890512       -3.4708696076
HM20        1.3329012737        0.0197018148        0.6553547530
           43
Energy of minimum     22=      -86.4336147442 first found at step       98
C82         1.2447465114       -2.1222321306       -2.1440164308
C81         1.6810804741       -2.5290869517       -0.7217775305
C8          1.3531563330       -1.4367454591        0.3264846954
C9          1.8685103216       -1.8117328460        1.7411069392
C91         3.4067592907       -1.7677563258        1.8493122385
O7         -0.0924728608       -1.2907592969        0.3847612717
C6         -0.6091149234       -0.0298125366        0.8914549502
C7         -1.8286072823       -0.3711858569        1.7237255456
C2         -3.0041858618        0.2954623405        1.6685965544
C1         -4.1661713756       -0.0770605182        2.5492611821
O1B        -5.2199566243        0.5338451313        2.4667974036
O1A        -4.0604189519       -0.9972733591        3.3445906569
C3         -3.1954282346        1.4759945962        0.7259040788
C4         -1.8561143429        2.0618902585        0.2264436606
N4         -2.1226200806        3.0821936411       -0.8155004017
HAB        -1.2238143388        3.4371942326       -1.1501043412
HAA        -2.5288518809        2.6186136403       -1.6326613050
C5         -0.9391354604        0.9205353661       -0.2923213843
N5          0.2829149076        1.4413597946       -0.9457194799
HAD         1.0430635618        1.7292767028       -0.3505653626
C10         0.4736210743        1.5208808485       -2.2733082642
C11         1.8295544942        2.0300174515       -2.6868746492
O10        -0.3893070564        1.2088398657       -3.0740857536
HM1        -3.7909079970        1.1513802852       -0.1314308921
HM2        -3.7560083598        2.2755057660        1.2168190823
HM3         1.9817979825        3.0412983106       -2.3049368599
HM4         1.9165794471        2.0486749608       -3.7751346087
HM5         2.6121957620        1.3840855599       -2.2836808376
HM6        -1.3528147318        2.5461806344        1.0714550750
HM7        -1.6968982665       -1.2088176284        2.4063041862
HM8        -1.5104711337        0.3372881109       -1.0215694416
HM9         1.7508089273       -1.2049726129       -2.4521134702
HM10        0.1658824281       -1.9593763933       -2.1939561400
HM11        1.5023652212       -2.9089718330       -2.8568351188
HM12        1.1915050063       -3.4655960601       -0.4433398154
HM13        2.7556145022       -2.7184820877       -0.7403377617
HM14        1.8041508910       -0.4917896173        0.0110713226
HM15        1.4616442485       -1.1166223506        2.4783894737
HM16        1.5118317032       -2.8085010444        2.0124472505
HM17        3.8723011098       -2.5352488029        1.2282331830
HM18        3.7864234428       -0.7907786785        1.5413031078
HM19        3.7156859847       -1.9426575553        2.8827904402
HM20        0.1311061384        0.4449424484        1.5430175511
           43
Energy of minimum     23=      -86.4121626833 first found at step     2698
C82        -3.1501818019       -0.4454609822        2.8315633102
C81        -2.2522813334        0.1631759514        1.7348641834
C8         -0.7394848168        0.0342155625        2.0534308895
C9         -0.3119815493        0.9375295784        3.2371403168
C91         1.1845991024        0.7816566282        3.5779704707
O7          0.0140194230        0.4430744042        0.8795000235
C6          0.2326780875       -0.5698604799       -0.1393007033
C7          1.4169046928       -1.4253793446        0.2721469840
C2          2.3912820225       -1.8289167294       -0.5752442913
C1          3.5235184544       -2.7077725534       -0.1166639109
O1B         3.5746720971       -3.0851111129        1.0435773941
O1A         4.3964775270       -3.0423601633       -0.9013182339
C3          2.3772065041       -1.4267941695       -2.0451821290
C4          1.0017182116       -0.8989298058       -2.5127972963
N4          1.1259236273       -0.3328203415       -3.8771444180
HAB         1.7321609400        0.4904578010       -3.8375090104
HAA         0.2134452148        0.0402246848       -4.1514538082
C5          0.4637496467        0.1423971825       -1.4950473795
N5         -0.7680061812        0.8167699964       -1.9644025644
HAD        -1.6408202025        0.3288636528       -1.8434527493
C10        -0.8227202812        2.0591013259       -2.4725207286
C11        -2.2082641578        2.5436305384       -2.8112224303
O10         0.1766355564        2.7331028040       -2.6488188073
HM1         3.1334404415       -0.6537877230       -2.2052251118
HM2         2.6517234351       -2.2736819735       -2.6791517585
HM3        -2.6629199065        1.8868821928       -3.5553461752
HM4        -2.1721151494        3.5580631175       -3.2135231831
HM5        -2.8347222754        2.5429363590       -1.9168875241
HM6         0.2992239389       -1.7400572136       -2.5436798273
HM7         1.4386578603       -1.7234192211        1.3181065379
HM8         1.2442673074        0.8938095806       -1.3375519562
HM9        -3.0675435707        0.1106605635        3.7671814901
HM10       -2.8779626197       -1.4869025693        3.0180712238
HM11       -4.1964433678       -0.4175661260        2.5179232014
HM12       -2.4731688260       -0.3486108394        0.7961252306
HM13       -2.5134149411        1.2149490301        1.5935368294
HM14       -0.5023238220       -1.0066923867        2.2946586344
HM15       -0.5258484174        1.9835565454        3.0038052133
HM16       -0.8900690111        0.6793191107        4.1261522082
HM17        1.4187346031       -0.2587545929        3.8151397739
HM18        1.8132194638        1.0974757313        2.7424297939
HM19        1.4407402988        1.3955625512        4.4447244458
HM20       -0.6547262254       -1.2045365645       -0.2246041578
           43
Energy of minimum     24=      -86.3921576932 first found at step      768
C82         0.4578061047        3.6436960788        2.1618194124
C81        -0.0807103572        2.6016324515        1.1600035545
C8          1.0461966565        1.8812077115        0.3739975379
C9          1.7571887265        2.8259261254       -0.6269232462
C91         2.9024355510        2.1195275026       -1.3816850806
O7          0.4544528325        0.7886223526       -0.3803280675
C6          0.2679066814       -0.4663551510        0.3281871575
C7          1.5811514215       -1.2272506599        0.3229337364
C2          1.6860865057       -2.5563981914        0.0934078686
C1          3.0140021076       -3.2630718231        0.1366748946
O1B         3.0795347180       -4.4608963963       -0.0900874624
O1A         4.0309980948       -2.6388383054        0.3943357859
C3          0.4565430701       -3.4072513433       -0.2014728193
C4         -0.8671175967       -2.7070851766        0.1819925986
N4         -2.0123844557       -3.4987350698       -0.3270764539
HAB        -2.8741627547       -3.0028603343       -0.0871329378
HAA        -1.9920567239       -3.4853549017       -1.3504109016
C5         -0.8713634123       -1.2541438076       -0.3647923886
N5         -2.1771191259       -0.5795109578       -0.1858992648
HAD        -2.3716765287       -0.1729407275        0.7147991747
C10        -3.0947201768       -0.4048925891       -1.1512972093
C11        -4.3140122743        0.3740256642       -0.7319665381
O10        -2.9472687160       -0.8508505024       -2.2753625877
HM1         0.4422152618       -3.6463159196       -1.2680956665
HM2         0.5080839003       -4.3580506872        0.3350128626
HM3        -4.8228684484       -0.1392581754        0.0861749604
HM4        -5.0090045681        0.4776792856       -1.5677082208
HM5        -4.0237862629        1.3700239562       -0.3913216002
HM6        -0.9307963567       -2.6602571190        1.2754675744
HM7         2.4675471936       -0.6335731190        0.5355269548
HM8        -0.6343286484       -1.2949263688       -1.4328829356
HM9        -0.3639028783        4.0510170743        2.7551251188
HM10        0.9428494765        4.4756105779        1.6479082200
HM11        1.1777656396        3.1869294108        2.8453730487
HM12       -0.6640547800        1.8671783587        1.7187828856
HM13       -0.7664154340        3.0889924566        0.4623943072
HM14        1.7856568339        1.4817752505        1.0751015388
HM15        1.0342711255        3.2188425386       -1.3462095118
HM16        2.1794297436        3.6792207721       -0.0932397949
HM17        3.6371836673        1.7197405445       -0.6789438094
HM18        2.5226827246        1.2974376273       -1.9924193524
HM19        3.4109555424        2.8251198925       -2.0429733294
HM20       -0.0251940803       -0.2653883064        1.3632099862
           43
Energy of minimum     25=      -86.3406481211 first found at step      291
C82        -2.0426489526       -1.1251787017       -2.2598479555
C81        -0.5962021180       -1.6457625648       -2.1090564439
C8         -0.2202959668       -2.0703607909       -0.6601512382
C9         -1.1260443000       -3.1795626185       -0.0681279410
C91        -1.0823727242       -4.4924155871       -0.8767267903
O7         -0.3120453953       -0.9238513339        0.2286903310
C6          0.8114101900       -0.0018419355        0.2253774702
C7          1.8833006527       -0.5450437515        1.1523512483
C2          2.5783762213        0.2105849792        2.0333754184
C1          3.6556701093       -0.3792200885        2.9029487827
O1B         3.9287785272       -1.5664730409        2.8187023183
O1A         4.2553218348        0.3251324552        3.6991454987
C3          2.3158091814        1.7052512906        2.1716185813
C4          1.5293529679        2.2907034737        0.9768266306
N4          1.1376619716        3.6882089284        1.2785832214
HAB         0.5956943391        4.0446726243        0.4878316943
HAA         0.4720786823        3.6822223640        2.0562269453
C5          0.3014527634        1.3935215649        0.6641245086
N5         -0.5905082582        1.9848217926       -0.3589621956
HAD        -0.3360798862        1.8608660374       -1.3254936963
C10        -1.7492312997        2.6141595841       -0.1031688316
C11        -2.5020005467        3.0754737890       -1.3238250918
O10        -2.1497777929        2.8012346612        1.0319956759
HM1         1.7549679028        1.8802507713        3.0935008296
HM2         3.2559052519        2.2549601513        2.2640904885
HM3        -3.4280678867        3.5753798924       -1.0336907706
HM4        -2.7482642778        2.2225811960       -1.9593709135
HM5        -1.8916767689        3.7738672279       -1.8998822726
HM6         2.1840770585        2.2914324010        0.0974684223
HM7         2.0851223259       -1.6101451692        1.0607278292
HM8        -0.2618837681        1.2563695019        1.5927970687
HM9        -2.2078001684       -0.7725878693       -3.2802966719
HM10       -2.2333927946       -0.2934728324       -1.5788880031
HM11       -2.7695639001       -1.9145128654       -2.0576063169
HM12       -0.4481509932       -2.4896724043       -2.7859533275
HM13        0.0911807555       -0.8686296085       -2.4485311472
HM14        0.8106178211       -2.4374115580       -0.6580874937
HM15       -0.7910726326       -3.3940687702        0.9496963763
HM16       -2.1577814695       -2.8295806340        0.0080036880
HM17       -1.5219933771       -4.3613593487       -1.8676008736
HM18       -0.0529877778       -4.8392379797       -0.9931553292
HM19       -1.6485569022       -5.2712741933       -0.3601570671
HM20        1.2216214006        0.0799689598       -0.7855026566
           43
Energy of minimum     26=      -86.3089419445 first found at step     1162
C82        -1.7484956814        1.6840940267        2.1616801289
C81        -1.2591744933        0.2422187087        2.4217355276
C8          0.2608455372        0.0300426632        2.1659729987
C9          1.1810460732        0.9449358002        3.0129246352
C91         1.0157161776        0.7300165859        4.5313788098
O7          0.5666393909        0.2908559644        0.7689331283
C6          0.2773600462       -0.7761604304       -0.1745316986
C7          1.4420323549       -1.7492637033       -0.1735663828
C2          1.9815085154       -2.2880998517       -1.2911216319
C1          3.1145527026       -3.2762210446       -1.2244643919
O1B         3.5654918685       -3.6184445818       -0.1424317789
O1A         3.5904274999       -3.7338576407       -2.2509822279
C3          1.4503322272       -1.9338014311       -2.6747225145
C4          0.0525090337       -1.2758131613       -2.6320416656
N4         -0.3013515023       -0.7768922596       -3.9823186231
HAB         0.3440795785       -0.0240093920       -4.2341664540
HAA        -1.2131933535       -0.3164981958       -3.9226029208
C5          0.0344182164       -0.1452883197       -1.5683029286
N5         -1.2218881577        0.6378785254       -1.5913859623
HAD        -2.0207213096        0.2496573818       -1.1164895835
C10        -1.3623405139        1.8576400050       -2.1361324005
C11        -2.7298624172        2.4688495760       -1.9756210813
O10        -0.4516703417        2.4165572589       -2.7211368952
HM1         2.1552523659       -1.2525314660       -3.1584504688
HM2         1.3892296409       -2.8251126669       -3.3042680318
HM3        -2.7633207484        3.4550349228       -2.4425420332
HM4        -2.9737498776        2.5739290275       -0.9166314758
HM5        -3.4830995662        1.8326645646       -2.4446605891
HM6        -0.6798574995       -2.0355554000       -2.3347602428
HM7         1.8282215604       -2.0155855340        0.8080095576
HM8         0.8764969262        0.5236767778       -1.7730953100
HM9        -1.4991554183        2.0064094314        1.1488292134
HM10       -1.3029507063        2.3850812478        2.8702216900
HM11       -2.8335382879        1.7375501284        2.2769130279
HM12       -1.4975991685       -0.0354690018        3.4504967256
HM13       -1.8312599876       -0.4396156121        1.7896584197
HM14        0.5135042091       -1.0098733456        2.3945806486
HM15        2.2198736603        0.7322178032        2.7488309894
HM16        1.0034140971        1.9946932801        2.7695645663
HM17        0.0264561198        1.0449017369        4.8697342224
HM18        1.1557286679       -0.3223140927        4.7891729151
HM19        1.7583060358        1.3169490921        5.0773369900
HM20       -0.6302134750       -1.3054473777        0.1304530982
           43
Energy of minimum     27=      -86.2875698693 first found at step     4093
C82        -2.9820944954       -1.1409756016       -0.7548296471
C81        -1.9966678295       -2.2939429114       -1.0267656500
C8         -0.5201894330       -1.8284588338       -1.0335965392
C9          0.3877881200       -3.0147783070       -1.4557982669
C91         1.8665917717       -2.6337566651       -1.6687776384
O7         -0.1885253434       -1.3942675270        0.3158053016
C6          0.7809503639       -0.3204671043        0.4694493279
C7          1.5590780449       -0.6464067902        1.7292303423
C2          1.8520482000        0.2438658996        2.7038748752
C1          2.6557149879       -0.1449124812        3.9153485976
O1B         2.8921486475        0.6778878633        4.7857477851
O1A         3.0670397095       -1.2881182466        4.0353670145
C3          1.4042551518        1.6942689652        2.5995339137
C4          1.0455056558        2.0959359460        1.1525443759
N4          0.4883291179        3.4696049697        1.1501211776
HAB         0.2450555697        3.7122751588        0.1872448140
HAA        -0.4112288430        3.4583648220        1.6384316270
C5          0.0632570862        1.0575372117        0.5400584856
N5         -0.4371970013        1.4908330289       -0.7843694409
HAD         0.1376356549        1.2930604295       -1.5877481553
C10        -1.6042592985        2.1204812877       -1.0010414748
C11        -1.8923044676        2.4375756063       -2.4450240645
O10        -2.3626388018        2.4132485981       -0.0943324293
HM1         0.5353699817        1.8463066853        3.2452017532
HM2         2.1875900532        2.3674461406        2.9568419579
HM3        -2.8661422314        2.9213416598       -2.5417815204
HM4        -1.8955862442        1.5211580302       -3.0387487316
HM5        -1.1263967579        3.1066536115       -2.8422756948
HM6         1.9642033536        2.0903759966        0.5542987597
HM7         1.8914205743       -1.6800532656        1.8055152224
HM8        -0.7848959845        0.9483060244        1.2235297639
HM9        -4.0067018589       -1.5186954986       -0.7361327486
HM10       -2.9130122204       -0.3871419726       -1.5410109506
HM11       -2.7763646363       -0.6664264228        0.2074396078
HM12       -2.1316524111       -3.0724579453       -0.2715669957
HM13       -2.2442649873       -2.7373070565       -1.9943297020
HM14       -0.4079496782       -1.0015394433       -1.7406401250
HM15        0.3241974108       -3.8132707449       -0.7122107070
HM16        0.0105381341       -3.4263670035       -2.3953308697
HM17        1.9543885204       -1.7853078185       -2.3514164783
HM18        2.3470358476       -2.3793535148       -0.7224738244
HM19        2.4122751072       -3.4760938596       -2.1008241031
HM20        1.4756554591       -0.3164289208       -0.3745589454
           43
Energy of minimum     28=      -86.2565820875 first found at step     1226
C82        -0.1614106750        3.1379450417       -0.9442027758
C81        -1.5494382808        2.5304640638       -1.2247624457
C8         -1.5527004518        0.9845856706       -1.1412985179
C9         -2.9445338465        0.4521748401       -1.5764606170
C91        -3.0226502857       -1.0825681915       -1.7023925477
O7         -1.2812279857        0.6171225898        0.2409647084
C6         -0.5564441940       -0.6195129696        0.4899174532
C7         -1.1408103329       -1.1880722218        1.7682280882
C2         -0.4110860537       -1.6767345957        2.7963668088
C1         -1.0611110095       -2.2536191747        4.0249364130
O1B        -2.2785445651       -2.2954017427        4.1112440709
O1A        -0.3746934373       -2.6738710674        4.9424864821
C3          1.1092776203       -1.6921460205        2.7393311445
C4          1.6446316374       -1.5571366938        1.2974831793
N4          3.1218938438       -1.4396417546        1.3332971798
HAB         3.4560609961       -1.3379274509        0.3724654012
HAA         3.3684905334       -0.5510393960        1.7775411422
C5          0.9713749375       -0.3464051269        0.5910363139
N5          1.5760779515       -0.0790938828       -0.7338276683
HAD         1.2393222878       -0.6160233233       -1.5169668381
C10         2.5359240872        0.8296291907       -0.9756833260
C11         2.9705086957        0.9217535103       -2.4149484268
O10         3.0159916324        1.5179071544       -0.0931792287
HM1         1.4971239762       -0.8723250747        3.3496044855
HM2         1.5027838850       -2.6188309619        3.1646267243
HM3         2.1183415346        1.1765374708       -3.0479850293
HM4         3.3764034589       -0.0359316048       -2.7470906815
HM5         3.7378012150        1.6892394531       -2.5347613071
HM6         1.3796168451       -2.4654932638        0.7437802696
HM7        -2.2283789888       -1.1895982629        1.8114438218
HM8         1.1032725697        0.5343860945        1.2276154716
HM9        -0.2117342157        4.2279645289       -0.9907877690
HM10        0.5604013222        2.7997758458       -1.6896740634
HM11        0.1982612160        2.8556445383        0.0479819604
HM12       -2.2738137601        2.9370174525       -0.5143902584
HM13       -1.8665864264        2.8429594165       -2.2226715339
HM14       -0.7770833579        0.5879128639       -1.8026277363
HM15       -3.7089542672        0.7962259145       -0.8751422780
HM16       -3.1932860076        0.8801022120       -2.5508560768
HM17       -2.2198526631       -1.4611352544       -2.3393954606
HM18       -2.9551043288       -1.5610596631       -0.7238602831
HM19       -3.9768343905       -1.3740683227       -2.1479566726
HM20       -0.7372807218       -1.3317118317       -0.3194295770
           43
Energy of minimum     29=      -86.2202554178 first found at step       32
C82        -1.2591882722       -0.7806254653        3.0861033014
C81        -2.1193569263       -1.3829791134        1.9580438559
C8         -1.8194549513       -0.7263146214        0.5888437828
C9         -2.8582478324       -1.1365443055       -0.4914354531
C91        -2.8795557721       -2.6479816818       -0.8110206181
O7         -0.4786750700       -1.1151775586        0.1764876351
C6          0.1656190519       -0.2973323880       -0.8387626556
C7          0.9086294434       -1.2501157670       -1.7529226570
C2          2.1642652539       -1.0469922618       -2.2121598891
C1          2.8310449304       -2.0193573755       -3.1473743854
O1B         2.2356078698       -3.0189205028       -3.5183834212
O1A         3.9707037313       -1.8154651421       -3.5338303381
C3          2.9555131313        0.1934021751       -1.8195525847
C4          2.0643459793        1.3193324728       -1.2479965664
N4          2.9261388112        2.4013329838       -0.7116762386
HAB         2.3286706467        3.1409956706       -0.3346788320
HAA         3.4488426250        2.8376995282       -1.4764372158
C5          1.1040910443        0.7452901940       -0.1706366763
N5          0.3447366211        1.8116507235        0.5218340970
HAD        -0.3700166859        2.2895340319       -0.0025978238
C10         0.5164266047        2.1755755131        1.8041408512
C11        -0.4138515018        3.2617344058        2.2786568245
O10         1.3557257372        1.6652789512        2.5246765546
HM1         3.7023753218       -0.0878205963       -1.0724084623
HM2         3.5014633331        0.5899875610       -2.6791869317
HM3        -1.4506102932        2.9324785854        2.1856202383
HM4        -0.2790765215        4.1627687298        1.6768110888
HM5        -0.2164190145        3.5054225258        3.3244840436
HM6         1.4525933424        1.7264775641       -2.0617560053
HM7         0.3480836919       -2.1361934080       -2.0444250837
HM8         1.7155655960        0.2079292536        0.5606822778
HM9        -1.4933026359       -1.2632444757        4.0374838186
HM10       -1.4546979797        0.2889835474        3.1884907434
HM11       -0.1950980002       -0.9233669384        2.8834506012
HM12       -1.9384669478       -2.4589468644        1.9062755485
HM13       -3.1733978563       -1.2402399943        2.2080439930
HM14       -1.8599464671        0.3594121079        0.7127326103
HM15       -3.8537900619       -0.8338372677       -0.1580763221
HM16       -2.6645742138       -0.5834077236       -1.4126032955
HM17       -3.1745352315       -3.2327481344        0.0624951872
HM18       -1.8996683935       -2.9927748807       -1.1474288645
HM19       -3.5997520585       -2.8516875053       -1.6069878012
HM20       -0.5887600793        0.2267874472       -1.4330189317
           43
Energy of minimum     30=      -86.1954844867 first found at step      566
C82         2.0588691059        0.5352005969        2.4301187442
C81         1.7672499530        1.8888126491        1.7530918182
C8          1.4746938568        1.7719327775        0.2348784599
C9          1.3695987723        3.1862942193       -0.3865544429
C91         1.1903067435        3.1501548092       -1.9178176721
O7          0.2049006535        1.0907572320        0.0285260552
C6          0.2560440777       -0.3169445438       -0.3371508471
C7          0.6293112139       -0.4369293141       -1.8043833612
C2          0.0282862732       -1.2770891354       -2.6772299444
C1          0.4740470229       -1.3778385665       -4.1112661694
O1B        -0.0974388374       -2.1346579218       -4.8801884352
O1A         1.4071101166       -0.6998612322       -4.5112587314
C3         -1.1151667175       -2.1831332568       -2.2404311317
C4         -1.2009118294       -2.3482240886       -0.7062329148
N4         -2.4546052924       -3.0629792195       -0.3608973351
HAB        -2.5111648439       -3.1649130554        0.6555290240
HAA        -2.4204917186       -4.0183431594       -0.7283420267
C5         -1.1198403466       -0.9603233576       -0.0175581133
N5         -1.3461729364       -1.0497712400        1.4432976070
HAD        -0.8129972115       -1.7329401837        1.9556351798
C10        -2.1439770773       -0.2329917560        2.1521062422
C11        -2.1231071862       -0.4690377368        3.6403921452
O10        -2.8353906120        0.6240638556        1.6302805655
HM1        -2.0552281942       -1.7648084645       -2.6097753238
HM2        -1.0131980381       -3.1751915159       -2.6872842986
HM3        -2.4423643436       -1.4891138731        3.8623381936
HM4        -2.7939650540        0.2266133110        4.1485540274
HM5        -1.1124623211       -0.3278059512        4.0287932134
HM6        -0.3453692387       -2.9457404877       -0.3696851234
HM7         1.4527010912        0.1933698616       -2.1307421008
HM8        -1.8944931321       -0.3294066041       -0.4643810552
HM9         2.3677668576        0.6934224704        3.4657636227
HM10        2.8619555677        0.0077242850        1.9102761066
HM11        1.1703507628       -0.0975047574        2.4401960564
HM12        0.9253686837        2.3725626714        2.2548622616
HM13        2.6380222741        2.5330482491        1.8974170696
HM14        2.2862255833        1.2252472458       -0.2560538418
HM15        0.5345810322        3.7289104132        0.0640281885
HM16        2.2787954118        3.7480618669       -0.1584355340
HM17        0.2635330883        2.6413743269       -2.1922911130
HM18        2.0272359542        2.6315571677       -2.3908181616
HM19        1.1491936041        4.1662557794       -2.3172900847
HM20        1.0221972306       -0.8198143662        0.2599831811
           43
Energy of minimum     31=      -86.1753935651 first found at step        5
C82         2.8269282812       -1.5111587684        0.3479504802
C81         3.0942645345       -0.1447637733       -0.3138788841
C8          1.9345788241        0.3439439441       -1.2201615543
C9          2.3713983243        1.6167828946       -1.9861668803
C91         1.3070710449        2.0974732485       -2.9933758319
O7          0.7782725560        0.6822281805       -0.4032683275
C6         -0.2902625117       -0.3024335471       -0.3247643291
C7         -1.1127477160       -0.2463640132       -1.6000941395
C2         -2.4642174146       -0.2811317848       -1.6365941191
C1         -3.2205683116       -0.2639245879       -2.9377073357
O1B        -2.6155424446       -0.2295281234       -3.9978207361
O1A        -4.4410243166       -0.2808789273       -2.9378770898
C3         -3.2864608949       -0.3654810295       -0.3574108717
C4         -2.4573571531       -0.8237727414        0.8637236426
N4         -3.2732493876       -0.6712872164        2.0936549274
HAB        -4.0705349548       -1.3125388833        2.0611012396
HAA        -2.7181011382       -0.9685906579        2.9005491212
C5         -1.1368460410       -0.0133585194        0.9434176515
N5         -0.3739964201       -0.3103024064        2.1774677297
HAD        -0.1950015909       -1.2774987882        2.3916502303
C10         0.1889282610        0.6112728229        2.9771939696
C11         1.0110098705        0.0461644170        4.1068152103
O10         0.0378754975        1.8083824668        2.8064902943
HM1        -3.7160057921        0.6183857940       -0.1509791937
HM2        -4.1239975041       -1.0562647064       -0.4823864826
HM3         0.3882694432       -0.5842027632        4.7444325340
HM4         1.4331845366        0.8498760759        4.7134505207
HM5         1.8283280142       -0.5592737239        3.7097417701
HM6        -2.2000362585       -1.8818625956        0.7353632642
HM7        -0.5412434229       -0.1982380199       -2.5236368720
HM8        -1.4043180339        1.0478145442        0.9309975737
HM9         2.0191225178       -1.4427643675        1.0775028988
HM10        2.5622537549       -2.2592987348       -0.4028137612
HM11        3.7213648869       -1.8552179526        0.8725771198
HM12        3.2976675930        0.6005976856        0.4591705975
HM13        4.0010071529       -0.2344773686       -0.9171255864
HM14        1.6767416620       -0.4366758805       -1.9431455004
HM15        2.5903114549        2.4200139610       -1.2779187296
HM16        3.2947993389        1.4090221184       -2.5324439016
HM17        0.3792558462        2.3680649380       -2.4844118844
HM18        1.0893942560        1.3160912283       -3.7249511772
HM19        1.6666225420        2.9777841943       -3.5314346907
HM20        0.1428611140       -1.3026086333       -0.2328828968
           43
Energy of minimum     32=      -86.1515641676 first found at step       16
C82         0.7077970789        3.0018509710        0.9557827828
C81         1.5928982303        2.6747401945       -0.2629431207
C8          1.9626409042        1.1730513827       -0.3752474446
C9          2.9885696016        0.9726693775       -1.5177504900
C91         3.4919365668       -0.4817674682       -1.6166397852
O7          0.7736639083        0.3949625927       -0.6913610175
C6          0.1305883122       -0.3138769939        0.4050528581
C7          0.9344392982       -1.5602924688        0.7318543393
C2          0.3920224424       -2.7759918884        0.9702168077
C1          1.2427355876       -3.9643097144        1.3300876190
O1B         2.4541800447       -3.8443117476        1.4254626840
O1A         0.7253741964       -5.0525630794        1.5246181089
C3         -1.1140674300       -2.9935260623        0.9108708460
C4         -1.9169294338       -1.6752387544        0.9876848930
N4         -3.3471934269       -1.9572265433        0.7107436168
HAB        -3.8744404511       -1.0816104894        0.7558940407
HAA        -3.7339058989       -2.5459587751        1.4542110170
C5         -1.3307055924       -0.6378203589       -0.0059194106
N5         -2.1546649472        0.5906406822       -0.0783803362
HAD        -2.4078422824        1.0330701403        0.7897235613
C10        -2.5193373208        1.2096167844       -1.2140470550
C11        -3.2712071250        2.5000904908       -1.0134212855
O10        -2.2688649859        0.7574454970       -2.3175244902
HM1        -1.3577831209       -3.5087235279       -0.0220286995
HM2        -1.4420989768       -3.6432717032        1.7260394362
HM3        -3.5389593828        2.9387227037       -1.9765428968
HM4        -2.6538454564        3.2131500911       -0.4632190601
HM5        -4.1852721770        2.3185822605       -0.4445143292
HM6        -1.8236293426       -1.2666130682        2.0008806417
HM7         2.0108541487       -1.4206946561        0.7910371537
HM8        -1.3022609291       -1.1114715856       -0.9921485309
HM9         0.5775801471        4.0826692580        1.0445993518
HM10        1.1670756548        2.6356954566        1.8768738013
HM11       -0.2816329084        2.5542199996        0.8531087882
HM12        1.0885433302        2.9998261217       -1.1764538164
HM13        2.5116777366        3.2604386153       -0.1797668995
HM14        2.4045988905        0.8307946405        0.5660310526
HM15        2.5448975925        1.2689492983       -2.4717348898
HM16        3.8488020882        1.6246835720       -1.3469896956
HM17        3.9574942164       -0.7927247662       -0.6786732005
HM18        2.6716990353       -1.1663332656       -1.8435573897
HM19        4.2360214233       -0.5703787515       -2.4117675777
HM20        0.1085507531        0.3288355381        1.2898580210
           43
Energy of minimum     33=      -86.1166391047 first found at step     3977
C82         1.1180713001        1.9485656295        2.3115492559
C81         1.7005617515        2.4215532880        0.9648401940
C8          1.9303374681        1.2722346273       -0.0508033544
C9          2.6922628351        1.8118758100       -1.2862427050
C91         3.0582775802        0.7002252669       -2.2907165595
O7          0.6493302831        0.7485626841       -0.5020300519
C6          0.1822864550       -0.4846954740        0.1132092288
C7          0.9309502696       -1.6578211427       -0.4944851145
C2          0.3501600595       -2.8207595434       -0.8675948805
C1          1.1559205719       -3.9624420001       -1.4266455919
O1B         0.6019749512       -4.9952110160       -1.7689142154
O1A         2.3666546284       -3.8579359769       -1.5427873659
C3         -1.1494012517       -3.0387719933       -0.7148042129
C4         -1.8101560915       -2.0308933428        0.2528498735
N4         -3.2850658995       -2.1747859436        0.1768887176
HAB        -3.7185014033       -1.5013005159        0.8135501605
HAA        -3.5610981698       -3.0966366023        0.5274104795
C5         -1.3529303783       -0.5883423435       -0.0893128744
N5         -2.0702196892        0.4289678333        0.7128136914
HAD        -2.0923825238        0.3026630361        1.7112074860
C10        -2.6044963370        1.5609614370        0.2243528359
C11        -3.1790133939        2.4858409243        1.2662437661
O10        -2.6299653198        1.8137439770       -0.9674903153
HM1        -1.6184716884       -2.9523948715       -1.6984890452
HM2        -1.3570841017       -4.0488229819       -0.3529717446
HM3        -3.5994282952        3.3763047046        0.7950824199
HM4        -2.3992635247        2.7944861317        1.9655783940
HM5        -3.9681423729        1.9791234004        1.8253623016
HM6        -1.4817959893       -2.2586433428        1.2739101030
HM7         2.0046186391       -1.5237140165       -0.5995924578
HM8        -1.5612633210       -0.4233751650       -1.1509913551
HM9         1.7306934813        1.1516464529        2.7393978955
HM10        0.0976509755        1.5828230602        2.1913750075
HM11        1.0929841460        2.7785855552        3.0215227299
HM12        1.0402855492        3.1744306060        0.5269449528
HM13        2.6558839377        2.9127928314        1.1653001659
HM14        2.5240950141        0.4799073430        0.4163555780
HM15        2.0914833976        2.5733998730       -1.7900931562
HM16        3.6147292037        2.2962679609       -0.9565541412
HM17        3.6753617414       -0.0634474385       -1.8119054431
HM18        2.1615141374        0.2234680874       -2.6925069934
HM19        3.6225898937        1.1185332050       -3.1275649935
HM20        0.3900014806       -0.4569700145        1.1867513345
           43
Energy of minimum     34=      -86.0961305921 first found at step       61
C82        -2.5649734005        1.5718428594        1.1587719361
C81        -1.6623478267        1.1878686552        2.3480821832
C8         -0.8811615817       -0.1346334036        2.1336848201
C9         -0.1620639875       -0.5347321863        3.4454980410
C91         0.5440796009       -1.9020234293        3.3426620456
O7          0.1288498956        0.0502153578        1.1019357359
C6         -0.1871106509       -0.4386070647       -0.2317668299
C7         -0.0129903323       -1.9468324596       -0.2626503894
C2          0.5930562645       -2.6229463553       -1.2649200954
C1          0.6970385609       -4.1243831664       -1.2551053436
O1B         1.2631478118       -4.7066193099       -2.1667729720
O1A         0.2180665669       -4.7650510213       -0.3329233323
C3          1.1784594175       -1.8944079451       -2.4674565302
C4          0.6464258847       -0.4509728110       -2.6161816580
N4          1.4210021063        0.2494590824       -3.6702713614
HAB         1.2457298927       -0.1905448194       -4.5777948302
HAA         1.0706033768        1.2069486218       -3.7602386641
C5          0.7269381904        0.2877018634       -1.2542728694
N5          0.3669330697        1.7191397324       -1.3740922341
HAD        -0.5010381451        1.9431179962       -1.8321564677
C10         1.0532827716        2.7359374852       -0.8256775570
C11         0.4135709673        4.0900405338       -0.9942087348
O10         2.1133802473        2.5751261819       -0.2465590062
HM1         2.2665774476       -1.8672444352       -2.3655964312
HM2         0.9607013046       -2.4372816021       -3.3905596727
HM3         0.3025937081        4.3225073198       -2.0550415172
HM4         1.0259853605        4.8643758862       -0.5277950757
HM5        -0.5748300275        4.0984353195       -0.5302813429
HM6        -0.4068861649       -0.4951342733       -2.9175611835
HM7        -0.4358715819       -2.4839558300        0.5826102571
HM8         1.7583719309        0.2034815605       -0.8981367797
HM9        -3.2341503569        0.7482184790        0.8993744325
HM10       -1.9703114867        1.8322473422        0.2823984614
HM11       -3.1760106654        2.4400246173        1.4166881543
HM12       -0.9615254261        2.0016779248        2.5508235179
HM13       -2.2962400963        1.0849816962        3.2322405771
HM14       -1.5757864413       -0.9319473448        1.8502268639
HM15        0.5681035268        0.2316947593        3.7178295716
HM16       -0.8935456400       -0.5843577465        4.2558966873
HM17       -0.1719239236       -2.6870571288        3.0890691863
HM18        1.3265074969       -1.8833674695        2.5808375823
HM19        1.0080933658       -2.1599561709        4.2976002162
HM20       -1.2287310308       -0.2029873013       -0.4682093911
           43
Energy of minimum     35=      -86.0713453627 first found at step      151
C82        -1.8530316261       -2.8993244695       -0.4707996715
C81        -1.2961934481       -2.5001200763        0.9135912707
C8         -1.5722026895       -1.0239290328        1.3114009039
C9         -3.0862192413       -0.7059076611        1.3740837485
C91        -3.3564086131        0.6765070950        2.0018846771
O7         -0.9479857110       -0.1205377118        0.3556873929
C6          0.4714646600        0.1385565286        0.5365906857
C7          0.6363574162        1.1941406284        1.6159717726
C2          1.5022229505        2.2306258029        1.5399537101
C1          1.6436294339        3.2252830902        2.6605889965
O1B         2.4225253737        4.1596532142        2.5568796830
O1A         0.9759939400        3.1031460377        3.6753037505
C3          2.3937023266        2.4284743150        0.3204548257
C4          2.4984659207        1.1631953455       -0.5612634930
N4          3.2085113443        1.4995066965       -1.8210943936
HAB         2.6868362030        2.2220478306       -2.3233763087
HAA         4.1145391755        1.9242906859       -1.6034092210
C5          1.0811290195        0.5825907068       -0.8187758676
N5          1.1007850468       -0.5267374565       -1.7980337608
HAD         1.7603997308       -1.2699206110       -1.6410499581
C10         0.3265547646       -0.6106955768       -2.8919910455
C11         0.5361093750       -1.8538138975       -3.7185016916
O10        -0.4763801038        0.2548888201       -3.1945931241
HM1         1.9936702073        3.2525172793       -0.2764023704
HM2         3.4021881133        2.7188544498        0.6261158954
HM3         0.3365131043       -2.7422825096       -3.1164087481
HM4         1.5674090122       -1.8993219678       -4.0742354574
HM5        -0.1333092005       -1.8577335512       -4.5809712097
HM6         3.0819713037        0.4103263182       -0.0183257741
HM7         0.0107247262        1.0659586767        2.4964073284
HM8         0.4598240474        1.3948366266       -1.2085618001
HM9        -1.4662693468       -2.2445453503       -1.2530968997
HM10       -1.5589809389       -3.9236210913       -0.7100362644
HM11       -2.9439245257       -2.8523888344       -0.4862964500
HM12       -1.7307628399       -3.1571303980        1.6708605072
HM13       -0.2203431276       -2.6860585723        0.9283721730
HM14       -1.1459101702       -0.8509569156        2.3042779720
HM15       -3.5228312585       -0.7345104664        0.3730971657
HM16       -3.5914825603       -1.4676904691        1.9728480370
HM17       -2.9024699575        1.4715431862        1.4058799189
HM18       -2.9489150026        0.7257164951        3.0142992473
HM19       -4.4313853504        0.8642485906        2.0561922376
HM20        0.9734785161       -0.7796818004        0.8564816095
           43
Energy of minimum     36=      -86.0469038318 first found at step      179
C82         0.8641810377        2.0945477369       -3.4913168382
C81         0.7029208613        0.9201881607       -2.5044663590
C8          1.3362125004        1.2065876092       -1.1170774217
C9          2.8838192139        1.2473148560       -1.1779320205
C91         3.5118639945        1.5704268085        0.1936324509
O7          0.9466528196        0.1424724545       -0.2070521136
C6         -0.3443159291        0.2894741952        0.4437906999
C7         -0.1633121237        1.1512883472        1.6790599589
C2         -0.7344672251        0.8895463941        2.8766952128
C1         -0.5473140929        1.8033266126        4.0576853037
O1B        -1.0632749074        1.5332680846        5.1307232192
O1A         0.1248304387        2.8163993448        3.9468973540
C3         -1.6136069882       -0.3379365637        3.0809962129
C4         -2.0945916574       -0.9679349783        1.7534331159
N4         -2.7434378074       -2.2718750999        2.0363697911
HAB        -3.5964481128       -2.1220910365        2.5822123469
HAA        -3.0548817550       -2.6872310552        1.1541580357
C5         -0.9022805935       -1.1190595057        0.7723469772
N5         -1.2817198972       -1.8414218174       -0.4636583095
HAD        -2.0947603917       -1.5171860773       -0.9613685944
C10        -0.5700854541       -2.8321902875       -1.0274101991
C11        -1.1124873289       -3.3262556627       -2.3436488985
O10         0.4295513416       -3.2982752334       -0.5093393895
HM1        -1.0481210573       -1.0829730123        3.6469368062
HM2        -2.4924617148       -0.0865899428        3.6799435903
HM3        -1.1207207230       -2.5132601609       -3.0722557025
HM4        -2.1336542037       -3.6916821139       -2.2174202381
HM5        -0.4947106431       -4.1384477043       -2.7319523321
HM6        -2.8296680131       -0.2964661523        1.2940338871
HM7         0.4595591922        2.0332863264        1.5456650539
HM8        -0.1179853752       -1.6774323627        1.2928587798
HM9         0.4639286283        3.0160372505       -3.0621562188
HM10        0.3199707525        1.8839957007       -4.4146703142
HM11        1.9123256473        2.2561039924       -3.7509742916
HM12       -0.3645685914        0.7236488757       -2.3860870943
HM13        1.1461457228        0.0192942686       -2.9361538539
HM14        0.9682669598        2.1640854222       -0.7344895755
HM15        3.2680417198        0.2898537452       -1.5385834116
HM16        3.2058389602        2.0128195299       -1.8861043133
HM17        3.2749627191        0.7961568385        0.9268341675
HM18        3.1440485337        2.5283610165        0.5684976106
HM19        4.5992301526        1.6320499912        0.1064811138
HM20       -1.0434766099        0.7877752046       -0.2351341981
           43
Energy of minimum     37=      -86.0256482929 first found at step     1740
C82        -3.0556100351        0.4194632520        1.5056531681
C81        -2.6269756174       -1.0611788822        1.4947668853
C8         -1.4724519264       -1.3245604608        0.4975723356
C9         -1.2166102057       -2.8439198387        0.2962390041
C91        -0.7623784806       -3.5857862583        1.5730272788
O7         -0.2727068813       -0.6700053945        0.9991631568
C6          0.8020401659       -0.4280937460        0.0495238714
C7          2.0968619987       -0.6685055180        0.7990752831
C2          3.1835303780        0.1332338195        0.7282395160
C1          4.4507827723       -0.1855474198        1.4747232260
O1B         5.4114328925        0.5644373760        1.4024109371
O1A         4.5199890055       -1.1933643735        2.1603037877
C3          3.1810039908        1.3878831510       -0.1342403720
C4          2.0520251222        1.3879404866       -1.1893239746
N4          2.0021196417        2.7141353633       -1.8525141489
HAB         1.2520698099        2.7057601612       -2.5478638151
HAA         2.8637567505        2.8670718883       -2.3841780457
C5          0.6992642795        1.0127015005       -0.5245288704
N5         -0.4370421727        1.1564780600       -1.4634135091
HAD        -0.5077097271        0.4885974172       -2.2139584200
C10        -1.3958290102        2.0945586554       -1.3802523558
C11        -2.4632256951        1.9970108445       -2.4392144624
O10        -1.4023412270        2.9521247598       -0.5152047321
HM1         3.0672813776        2.2607445696        0.5140484512
HM2         4.1362339854        1.5008448499       -0.6529448483
HM3        -2.9687172372        1.0316385964       -2.3722200873
HM4        -2.0183940828        2.0891982043       -3.4321415849
HM5        -3.2033702244        2.7894770967       -2.3113951956
HM6         2.2797898803        0.6251067919       -1.9432595969
HM7         2.1105824558       -1.5674320188        1.4123257917
HM8         0.5517997389        1.6886574772        0.3233170379
HM9        -2.2280956703        1.0631227609        1.8121469825
HM10       -3.8800332240        0.5675064645        2.2065671192
HM11       -3.3908420422        0.7309583211        0.5138367478
HM12       -2.3264434248       -1.3533585446        2.5034066852
HM13       -3.4903649619       -1.6724717523        1.2213118283
HM14       -1.7471987015       -0.8899288745       -0.4672452182
HM15       -2.1319445779       -3.3111405120       -0.0748915689
HM16       -0.4648494513       -2.9875472450       -0.4823376466
HM17        0.1493868511       -3.1445453977        1.9809609812
HM18       -1.5371729489       -3.5597492687        2.3417457920
HM19       -0.5556020228       -4.6337101427        1.3431618207
HM20        0.7459584514       -1.1478062197       -0.7723992347
           43
Energy of minimum     38=      -86.0027441501 first found at step       95
C82        -0.8195199814        2.1819979905        2.5138886825
C81         0.3669799267        2.7005191326        1.6775977560
C8          1.0047228190        1.5810880059        0.8193134011
C9          2.3545754663        2.0286403865        0.1930531922
C91         2.2369111734        3.2159407854       -0.7885373873
O7          0.0616713187        1.2062774475       -0.2244726467
C6          0.2599603391       -0.0843704907       -0.8647130032
C7         -0.0437692893        0.1128262124       -2.3359791472
C2         -0.7720306397       -0.7429554862       -3.0883235387
C1         -1.0063961596       -0.5032359687       -4.5554017804
O1B        -0.5278264659        0.4796777303       -5.0996221881
O1A        -1.6798652588       -1.2868948857       -5.2050650137
C3         -1.3714077721       -2.0066392881       -2.4862392867
C4         -0.7242476022       -2.3955940700       -1.1377875805
N4         -1.4910447725       -3.5110990315       -0.5307222135
HAB        -1.4073564429       -4.3462977926       -1.1163568436
HAA        -1.0572308903       -3.7605158656        0.3618072810
C5         -0.6501197950       -1.1566756929       -0.2038692562
N5         -0.1881622126       -1.5134521106        1.1572622627
HAD         0.7813251111       -1.7620219100        1.2693865222
C10        -0.9535052469       -1.5010124480        2.2620346349
C11        -0.2277253295       -1.8603652589        3.5326959037
O10        -2.1386618179       -1.2203659484        2.2368031152
HM1        -2.4434858954       -1.8517205275       -2.3387632502
HM2        -1.2649804207       -2.8490449068       -3.1742302794
HM3         0.5858224889       -1.1543642190        3.7105572822
HM4         0.1933817060       -2.8647914509        3.4549467403
HM5        -0.9095908148       -1.8306618471        4.3849267157
HM6         0.3006842647       -2.7352578012       -1.3284678295
HM7         0.3867259952        1.0100211125       -2.7764981816
HM8        -1.6567333613       -0.7320682122       -0.1408074226
HM9        -1.6093599931        1.7899290502        1.8693754863
HM10       -0.4947413614        1.3887504610        3.1907182630
HM11       -1.2407405626        2.9916118994        3.1143197135
HM12        0.0238701713        3.5158870225        1.0368072863
HM13        1.1183247151        3.1120203602        2.3558825542
HM14        1.1926578719        0.7188224947        1.4649898397
HM15        3.0432788615        2.3032436602        0.9956430988
HM16        2.8135723727        1.1850576522       -0.3262811840
HM17        1.8788462252        4.1141502005       -0.2815707344
HM18        1.5547620654        2.9823136529       -1.6085008103
HM19        3.2150605303        3.4437007718       -1.2187628543
HM20        1.3053686636       -0.3930708169       -0.7710372995
           43
Energy of minimum     39=      -85.9807178009 first found at step       91
C82         3.2022100432       -0.4393875588        2.6197927302
C81         2.1476395400        0.2302348811        1.7150835341
C8          2.0515536954       -0.4263443850        0.3123114601
C9          3.3075018707       -0.1470174409       -0.5510426043
C91         3.2305347128       -0.8326491230       -1.9310166203
O7          0.8966359040        0.1273229599       -0.3746326009
C6         -0.3853426065       -0.4934268649       -0.0862247618
C7         -0.5471403793       -1.7014915701       -0.9894480287
C2         -1.6925110346       -2.0174617037       -1.6354487427
C1         -1.8028926566       -3.2513407024       -2.4899194324
O1B        -2.8455370969       -3.5029713652       -3.0731268444
O1A        -0.8478570026       -4.0029720927       -2.6053925253
C3         -2.9354710691       -1.1450997850       -1.5116132278
C4         -2.8762223821       -0.1708239874       -0.3124448603
N4         -4.0073890878        0.7852504028       -0.4010693646
HAB        -3.9610043082        1.4303792139        0.3917593491
HAA        -4.8935575723        0.2835918323       -0.2915093551
C5         -1.5069329086        0.5581983212       -0.2851919992
N5         -1.4486148692        1.6017375608        0.7641086069
HAD        -1.7178357252        1.3386041994        1.6979399190
C10        -0.9722323618        2.8459858350        0.5892638694
C11        -0.9196126323        3.6812686972        1.8423327056
O10        -0.6191527408        3.2662206576       -0.4986907178
HM1        -3.0531677000       -0.5707927213       -2.4343645884
HM2        -3.8307024165       -1.7632555218       -1.4079281381
HM3        -0.5273491609        4.6757204713        1.6212392053
HM4        -0.2732330455        3.2062400058        2.5832438977
HM5        -1.9198346178        3.7852039023        2.2676108278
HM6        -2.9711763071       -0.7501728454        0.6136231464
HM7         0.3323203327       -2.3350024906       -1.0835822046
HM8        -1.3623748131        1.0214812676       -1.2661620019
HM9         3.0130458471       -1.5121518097        2.7029624555
HM10        3.1627489807       -0.0075154887        3.6222939178
HM11        4.2120851119       -0.2913528234        2.2320262562
HM12        1.1807733802        0.1629682252        2.2178969887
HM13        2.3792830010        1.2933530031        1.6124337690
HM14        1.9252800530       -1.5085081639        0.4198119940
HM15        3.4356295427        0.9299854577       -0.6854950726
HM16        4.1973740234       -0.5172690244       -0.0389346564
HM17        3.1032992574       -1.9117926766       -1.8178269142
HM18        2.3950818281       -0.4438949259       -2.5174507567
HM19        4.1501618771       -0.6543458118       -2.4933911545
HM20       -0.4060145065       -0.8267060114        0.9561725402
           43
Energy of minimum     40=      -85.9591964637 first found at step       36
C82        -0.4022054852       -0.5027005808       -4.1111160522
C81        -0.7648355111       -0.1868541639       -2.6455554925
C8         -0.2943632114       -1.2871460823       -1.6576237018
C9         -1.1042523613       -2.5986481057       -1.8148818344
C91        -0.6091661615       -3.7071464845       -0.8628487421
O7         -0.4827752191       -0.7974421215       -0.3021966629
C6          0.5825315013        0.0291366037        0.2399448741
C7          1.6501679868       -0.8814533626        0.8165495635
C2          2.2710972557       -0.6682439299        1.9989329761
C1          3.3503429741       -1.5887205647        2.5016436461
O1B         3.8828016081       -1.3791375557        3.5801237671
O1A         3.6941930018       -2.5507635900        1.8333501789
C3          1.9185229378        0.5300520053        2.8713398136
C4          1.1395543605        1.6272094595        2.1096428137
N4          0.6436536153        2.6374700222        3.0765560303
HAB         0.1250613738        3.3583637105        2.5683299596
HAA         1.4363225496        3.1243090347        3.5050675621
C5         -0.0186745726        0.9913629125        1.2964099807
N5         -0.8799772247        2.0120081080        0.6561754454
HAD        -0.4275062069        2.7267282962        0.1100665443
C10        -2.2237062014        2.0047679705        0.6675351554
C11        -2.8657336897        3.0953860679       -0.1505104702
O10        -2.8697263619        1.1853206282        1.2969028171
HM1         1.3161327152        0.1832742043        3.7151546606
HM2         2.8218461106        0.9791918229        3.2915634393
HM3        -2.5758415013        2.9953069186       -1.1982890073
HM4        -2.5437504425        4.0751044646        0.2082849647
HM5        -3.9537421910        3.0364654159       -0.0808736553
HM6         1.8225430415        2.1147496242        1.4038865961
HM7         1.9139761755       -1.7392555006        0.2015563707
HM8        -0.6180911273        0.3946724236        1.9910205161
HM9        -0.9400959064       -1.3806562312       -4.4735143440
HM10        0.6705278983       -0.6831277739       -4.2119489407
HM11       -0.6678873554        0.3404194814       -4.7532734128
HM12       -0.3009567067        0.7655650581       -2.3811041344
HM13       -1.8456050822       -0.0487442434       -2.5602373138
HM14        0.7667697615       -1.5005466974       -1.8220224268
HM15       -2.1643434928       -2.4066213768       -1.6312293014
HM16       -1.0148361113       -2.9670478184       -2.8383572626
HM17        0.4499559688       -3.9148521142       -1.0321476552
HM18       -0.7438542087       -3.4177275683        0.1817123060
HM19       -1.1695284207       -4.6295282182       -1.0330459713
HM20        1.0254539167        0.6294998512       -0.5609736000
           43
Energy of minimum     41=      -85.9354177116 first found at step      125
C82        -1.4193040353        2.1648356842        2.1864298990
C81        -1.0051270609        0.8698307922        2.9127999779
C8         -0.7515942204       -0.2906162019        1.9208207406
C9         -0.5887844909       -1.6548105613        2.6453269855
C91         0.6194709663       -1.7225063769        3.6056761533
O7          0.4453422273        0.0149937537        1.1519034422
C6          0.6029729957       -0.6698523803       -0.1206395632
C7          2.0721023913       -1.0193032954       -0.2432978292
C2          2.8050019475       -0.8574054288       -1.3683735857
C1          4.2545278809       -1.2569310954       -1.4318788046
O1B         4.7978508673       -1.7487563260       -0.4550754140
O1A         4.8933516283       -1.0848201983       -2.4575139219
C3          2.1860516929       -0.2831093799       -2.6359636612
C4          0.6411242763       -0.3291511091       -2.6224280411
N4          0.1194760995        0.4068425504       -3.8016978750
HAB         0.4059307033        1.3870734383       -3.7429785506
HAA         0.5553739343        0.0463372197       -4.6550105467
C5          0.1097342852        0.2422039224       -1.2775172316
N5         -1.3616949247        0.3975309855       -1.2770704322
HAD        -1.9179048548       -0.4382957016       -1.2113034040
C10        -2.0136698970        1.5633254583       -1.4186779839
C11        -3.5163970994        1.4491071513       -1.4154160967
O10        -1.4329224699        2.6290836513       -1.5307787185
HM1         2.5161866167        0.7527913567       -2.7510045418
HM2         2.5386223428       -0.8281287651       -3.5154190367
HM3        -3.8453737695        0.8263627002       -2.2494860369
HM4        -3.9762250327        2.4348135357       -1.5106892762
HM5        -3.8567924709        0.9921656327       -0.4839613574
HM6         0.3264133930       -1.3768194014       -2.6957884516
HM7         2.5204978392       -1.4377063014        0.6557660220
HM8         0.5700260015        1.2240395578       -1.1295663814
HM9        -1.5940165352        2.9639011555        2.9101843863
HM10       -2.3399578084        2.0096688284        1.6196813255
HM11       -0.6371469345        2.4927967363        1.4976041141
HM12       -0.1068811230        1.0623330954        3.5037386173
HM13       -1.8000011011        0.5884840771        3.6076861596
HM14       -1.6096282747       -0.3581417888        1.2462172568
HM15       -1.4997646202       -1.8676640544        3.2098116966
HM16       -0.4954786923       -2.4507555730        1.9036331366
HM17        1.5521221888       -1.5075729647        3.0798104059
HM18        0.5104980607       -1.0126105495        4.4279475657
HM19        0.6989102222       -2.7231830958        4.0370308991
HM20        0.0270768551       -1.6003807339       -0.1205320420
           43
Energy of minimum     42=      -85.9100551363 first found at step      554
C82         2.0679394813       -1.8606015710       -1.5851886119
C81         0.7066901060       -2.5713804051       -1.4496333179
C8         -0.0001364313       -2.2595845952       -0.1057165076
C9         -1.2116480984       -3.1916492680        0.1524737546
C91        -2.3170042210       -3.1139585493       -0.9244741677
O7         -0.4728010170       -0.8844725790       -0.1080829912
C6          0.2699065722        0.0606625580        0.7083697066
C7         -0.1214854294       -0.1322345145        2.1628813868
C2         -0.3628044670        0.8815818228        3.0254954650
C1         -0.7107133674        0.6262963455        4.4672349055
O1B        -0.7725887383       -0.5180935058        4.8888851278
O1A        -0.9378738194        1.5612971851        5.2181364170
C3         -0.2721720152        2.3362567092        2.5812492435
C4          0.4914861050        2.5132449837        1.2493602357
N4          0.3462319385        3.9116698195        0.7775006935
HAB         0.8008658620        3.9931584491       -0.1357028696
HAA        -0.6418443776        4.1002199711        0.5885574863
C5         -0.0286694250        1.4951346313        0.2014723824
N5          0.5549530462        1.7270388568       -1.1389691156
HAD         1.5591439985        1.7603783582       -1.2084678593
C10        -0.1417737867        1.7721287084       -2.2870293509
C11         0.7007323405        1.8843798252       -3.5309579238
O10        -1.3593113374        1.7379759897       -2.3148962129
HM1        -1.2846565871        2.7338103408        2.4724889835
HM2         0.2252059415        2.9421114793        3.3428542370
HM3         0.0662849853        1.9262707181       -4.4183016848
HM4         1.3637180611        1.0208137590       -3.6144647725
HM5         1.3102656363        2.7893888291       -3.4922067411
HM6         1.5536999914        2.3079223984        1.4267394877
HM7        -0.1832396001       -1.1652112203        2.4981660421
HM8        -1.1162948045        1.6052122968        0.1459499933
HM9         2.7208938657       -2.1137255820       -0.7467368637
HM10        1.9426131027       -0.7772691247       -1.6162027809
HM11        2.5629187820       -2.1686114350       -2.5091479177
HM12        0.0673577053       -2.2809379503       -2.2864243863
HM13        0.8714421458       -3.6489127781       -1.5254374667
HM14        0.7130820239       -2.4046090517        0.7122780943
HM15       -0.8597481480       -4.2234471891        0.2256486206
HM16       -1.6457255904       -2.9399651411        1.1230917199
HM17       -2.6876303858       -2.0923576714       -1.0340657235
HM18       -1.9494863303       -3.4585255529       -1.8931336364
HM19       -3.1596017932       -3.7495026548       -0.6419996296
HM20        1.3417780794       -0.1319036958        0.5984065483
           43
Energy of minimum     43=      -85.8719845896 first found at step     2636
C82         1.9992741685       -0.0286962990       -2.5972001514
C81         0.9706938132       -1.1695239384       -2.7272085255
C8          0.5976820510       -1.7933993862       -1.3587535252
C9         -0.2148912419       -3.1047533613       -1.5095778684
C91        -1.5538952972       -2.9419032787       -2.2632690752
O7         -0.1965179746       -0.8470281315       -0.5922400499
C6          0.4520778590       -0.2255534851        0.5499707535
C7          0.5187893622       -1.2286413195        1.6884157971
C2          0.2435570481       -0.9317461295        2.9793774044
C1          0.3637671503       -1.9618726838        4.0698818078
O1B         0.7255736425       -3.0971495093        3.8025441495
O1A         0.0944493429       -1.6680820401        5.2234898953
C3         -0.1810390475        0.4715035930        3.3948173828
C4          0.1355665331        1.5377368166        2.3218734919
N4         -0.4886078826        2.8268089086        2.7045565797
HAB        -0.2943055512        3.5066460617        1.9654266753
HAA        -1.5062241889        2.7182881330        2.6850482416
C5         -0.3487116666        1.0446600699        0.9322061110
N5         -0.2385052675        2.0876657525       -0.1124264908
HAD         0.6681654425        2.2398978672       -0.5229555473
C10        -1.2660119683        2.7955173564       -0.6096678883
C11        -0.9006211270        3.7422331816       -1.7229653121
O10        -2.4014814243        2.6799432883       -0.1836594754
HM1        -1.2556625268        0.4690281404        3.5953265598
HM2         0.3134954589        0.7649045089        4.3242474531
HM3        -0.4820471657        3.1853174766       -2.5635666148
HM4        -0.1559987316        4.4617922674       -1.3765097202
HM5        -1.7820208506        4.2869960122       -2.0671417025
HM6         1.2225723062        1.6728728224        2.2763247357
HM7         0.8288377536       -2.2335296157        1.4106682712
HM8        -1.3977786410        0.7470123561        1.0291657922
HM9         1.5819906218        0.8121118088       -2.0408934958
HM10        2.2870951769        0.3316895806       -3.5872822073
HM11        2.8996270002       -0.3755804937       -2.0842996008
HM12        0.0752586544       -0.7876700278       -3.2227680634
HM13        1.3932598430       -1.9446593647       -3.3710641350
HM14        1.5184729357       -2.0300114568       -0.8158043200
HM15        0.3965240519       -3.8466964410       -2.0286789373
HM16       -0.4169503671       -3.5073306313       -0.5141660776
HM17       -2.1896591863       -2.1978769300       -1.7782003979
HM18       -1.3896291703       -2.6395938805       -3.2994600700
HM19       -2.0945901086       -3.8912243444       -2.2743820332
HM20        1.4684191699        0.0698967460        0.2708001832
           43
Energy of minimum     44=      -85.8469676636 first found at step      293
C82         1.0774697537        3.9828252251        0.2259489697
C81         0.4445285832        2.5816206299        0.3482758297
C8          0.4273697933        1.8049371232       -0.9978561080
C9         -0.3596591471        2.5137447662       -2.1323624202
C91        -1.8304646018        2.8335243620       -1.7833597081
O7         -0.1769922628        0.4999147874       -0.7893616374
C6          0.6708316401       -0.5318576959       -0.2167174007
C7          1.4507065744       -1.1927595247       -1.3375556634
C2          1.6440517804       -2.5277045876       -1.4416689316
C1          2.4590699162       -3.1227928771       -2.5579918412
O1B         2.6041022567       -4.3325502006       -2.6348435366
O1A         2.9730273460       -2.3967284109       -3.3941275746
C3          1.0592255585       -3.4937102416       -0.4180488630
C4          0.6156180882       -2.7953836874        0.8878039051
N4         -0.1421537762       -3.7527081915        1.7293378213
HAB        -0.9898836742       -4.0370246539        1.2320926399
HAA        -0.4853379336       -3.2548507117        2.5555671912
C5         -0.2230269930       -1.5340233426        0.5556231181
N5         -0.8019146387       -0.9103012951        1.7670745068
HAD        -0.1695337797       -0.6702764898        2.5136311013
C10        -2.0826599539       -0.5255269811        1.8995053488
C11        -2.3901737744        0.2109043128        3.1772686536
O10        -2.9278700723       -0.7659918079        1.0557000413
HM1         0.2003099082       -4.0008787193       -0.8653346889
HM2         1.7851020697       -4.2691737496       -0.1606769212
HM3        -1.7980720954        1.1265417609        3.2311449065
HM4        -2.1469323482       -0.4128542438        4.0398127531
HM5        -3.4486758269        0.4747929234        3.2220752633
HM6         1.5112006761       -2.4758821742        1.4335045808
HM7         1.8777765696       -0.5138513312       -2.0727745828
HM8        -1.0312761751       -1.8414517914       -0.1154913143
HM9         0.4719194170        4.6366673456       -0.4048392501
HM10        2.0809828972        3.9159421631       -0.2005925400
HM11        1.1555122108        4.4472071730        1.2118343824
HM12        1.0206221852        2.0170366675        1.0836966556
HM13       -0.5678188779        2.6723035835        0.7481048376
HM14        1.4571407677        1.6645412378       -1.3411108205
HM15        0.1513157454        3.4368735030       -2.4137476473
HM16       -0.3409610510        1.8727756897       -3.0171702923
HM17       -2.3674105922        1.9309451345       -1.4831553782
HM18       -1.8947428267        3.5638064938       -0.9743796151
HM19       -2.3384846241        3.2548212518       -2.6540035550
HM20        1.3761612877       -0.0834434252        0.4891677847
           43
Energy of minimum     45=      -85.8238404254 first found at step       66
C82        -2.8490908320        0.5765209421       -1.5142207610
C81        -1.6838455750        0.8864175337       -2.4747231751
C8         -0.4505020116        1.4745734484       -1.7439230685
C9          0.6056177401        2.0390297521       -2.7282899296
C91         1.1739226455        0.9994103828       -3.7202436705
O7          0.1781637746        0.4396571699       -0.9391505667
C6          0.0273290346        0.5520056053        0.5017799141
C7          0.9559048340        1.6392425255        1.0140389884
C2          1.7133090231        1.5277609644        2.1295572155
C1          2.5870490883        2.6561124825        2.6072754881
O1B         2.6193381607        3.7091608005        1.9898013140
O1A         3.2705086966        2.5206212974        3.6093645660
C3          1.6998336328        0.2572312678        2.9707031642
C4          0.4877921395       -0.6520812372        2.6667382490
N4          0.6542868754       -1.9496517862        3.3641223326
HAB        -0.1412214801       -2.5455150203        3.1225822399
HAA         1.4623916147       -2.4357616779        2.9661656355
C5          0.3356801549       -0.8293833265        1.1323511886
N5         -0.6953625996       -1.8292454382        0.7738990662
HAD        -1.6573634774       -1.5329272670        0.7957033157
C10        -0.4460388757       -3.0784392107        0.3480895115
C11        -1.6691060860       -3.8733114010       -0.0278508038
O10         0.6838774257       -3.5287321721        0.2800678115
HM1         2.6231614394       -0.2976596333        2.7847264970
HM2         1.6858820033        0.5001082745        4.0362100513
HM3        -1.3855447249       -4.8722674821       -0.3645742966
HM4        -2.2097661584       -3.3717473424       -0.8332003589
HM5        -2.3348714784       -3.9683183437        0.8322918094
HM6        -0.4173391889       -0.1627659738        3.0451939179
HM7         0.9711364308        2.5567148951        0.4300101142
HM8         1.3021369606       -1.1562861827        0.7353065643
HM9        -2.5750100711       -0.2087231406       -0.8079353499
HM10       -3.7193626353        0.2338580486       -2.0783057784
HM11       -3.1353887737        1.4687386570       -0.9520704409
HM12       -1.4061714355       -0.0273501796       -3.0049408084
HM13       -2.0328574497        1.6029984788       -3.2221605202
HM14       -0.7805464988        2.2957972780       -1.0994742376
HM15        0.1631212714        2.8630100825       -3.2931251919
HM16        1.4303880215        2.4633941624       -2.1508783527
HM17        0.3957448473        0.6224353544       -4.3869177878
HM18        1.6207865924        0.1548159514       -3.1912414619
HM19        1.9491386807        1.4578648453       -4.3387554398
HM20       -1.0071117355        0.8226866147        0.7360030455
           43
Energy of minimum     46=      -85.8021442924 first found at step     1012
C82         1.1395785081        2.8674672480        0.4925131104
C81         1.8978529062        2.2453535750       -0.6968609154
C8          1.9426543552        0.6971901819       -0.6312169337
C9          2.7710309191        0.0838381660       -1.7864522995
C91         4.2847170692        0.3457190785       -1.6456487113
O7          0.5903666085        0.1777198944       -0.7553346891
C6          0.0215528924       -0.4474364575        0.4278997026
C7          0.6640537889       -1.8095982305        0.6293054706
C2         -0.0163395409       -2.9301573927        0.9634813207
C1          0.6846012068       -4.2432186159        1.1862941393
O1B         1.8985745094       -4.3158916055        1.0760791666
O1A         0.0419535048       -5.2407638037        1.4719498114
C3         -1.5277989374       -2.9107108157        1.1531601724
C4         -2.0928813960       -1.4843105357        1.3359660615
N4         -3.5745656849       -1.5307957000        1.2946961538
HAB        -3.8731446734       -1.8619020943        0.3738802775
HAA        -3.9292901351       -0.5719905439        1.3489096626
C5         -1.5158091338       -0.5428432565        0.2470144593
N5         -2.1528569370        0.7934262740        0.2732345305
HAD        -2.1420670567        1.2964231528        1.1459741993
C10        -2.6613523332        1.4280419716       -0.7967725777
C11        -3.1614431862        2.8228496753       -0.5240795758
O10        -2.7229039630        0.9078432856       -1.8966737943
HM1        -1.9971643816       -3.3763397789        0.2825836773
HM2        -1.8154925471       -3.5057755507        2.0235692261
HM3        -2.3406981227        3.4527086237       -0.1759014826
HM4        -3.9353887618        2.8019219019        0.2458619937
HM5        -3.5806597116        3.2633401679       -1.4308941262
HM6        -1.7773190445       -1.1069803210        2.3157402736
HM7         1.7443681164       -1.8415748876        0.5069403405
HM8        -1.7021559688       -1.0118944631       -0.7242554639
HM9         1.1874558963        3.9574096673        0.4404179223
HM10        1.5815028359        2.5498321473        1.4397376156
HM11        0.0884493962        2.5753502357        0.4824524366
HM12        1.4308651801        2.5617448035       -1.6328479274
HM13        2.9136698647        2.6442056270       -0.6922018522
HM14        2.3763106794        0.3850804717        0.3245333412
HM15        2.6128779027       -0.9973237511       -1.8023513036
HM16        2.4192438289        0.4741848544       -2.7447166640
HM17        4.5153699611        1.4083264846       -1.7419891085
HM18        4.6474796823       -0.0043081956       -0.6764491074
HM19        4.8323561439       -0.1870105436       -2.4268898157
HM20        0.2324457591        0.1808490554        1.2993412827
           43
Energy of minimum     47=      -85.7820904839 first found at step       65
C82        -4.0695558646       -0.7513914493        0.3500780381
C81        -2.7564128178       -0.2710205040        1.0001224979
C8         -1.5004191068       -0.9367232586        0.3844688313
C9         -1.4379052192       -2.4799581365        0.5654487324
C91        -1.4634116407       -2.9463220243        2.0375933653
O7         -0.3366994491       -0.3213152584        1.0012711619
C6          0.8975867627       -0.3418074604        0.2340231991
C7          2.0194667223       -0.5934794894        1.2206100427
C2          3.1990669946        0.0685984282        1.2222478151
C1          4.2861825582       -0.2569604411        2.2105810254
O1B         5.3349706130        0.3678448226        2.1977288270
O1A         4.1195433256       -1.1434499982        3.0332815297
C3          3.4905610129        1.1635999193        0.2041075566
C4          2.5379807237        1.1219745238       -1.0118886448
N4          2.7458432463        2.3316648564       -1.8439745384
HAB         2.4998127187        3.1599785676       -1.2962582231
HAA         2.0632814556        2.3179794360       -2.6068417070
C5          1.0679111513        0.9987181536       -0.5321100443
N5          0.1091349087        1.1288813202       -1.6529730770
HAD         0.1891522354        0.4708833409       -2.4121346828
C10        -0.9129896363        2.0004556805       -1.6981071144
C11        -1.8087728375        1.8597497186       -2.9007150724
O10        -1.0947664188        2.8385200668       -0.8334112564
HM1         3.4041180796        2.1351209923        0.6977450352
HM2         4.5167839467        1.0858797374       -0.1637095062
HM3        -2.2630976822        0.8671001427       -2.9129606117
HM4        -1.2312948220        1.9903056325       -3.8181638770
HM5        -2.6031301685        2.6084257854       -2.8762206322
HM6         2.7763961526        0.2352800410       -1.6108895694
HM7         1.8224460567       -1.3791576110        1.9477244410
HM8         0.8914556260        1.8050208982        0.1866893241
HM9        -4.0381080712       -0.6091198219       -0.7326802495
HM10       -4.9133402575       -0.1815246403        0.7453391988
HM11       -4.2505430421       -1.8078848695        0.5594585265
HM12       -2.6788517955        0.8096007731        0.8586698603
HM13       -2.7954567965       -0.4445577307        2.0774984534
HM14       -1.4931479237       -0.7139778316       -0.6858832658
HM15       -2.2679810280       -2.9451263806        0.0299711082
HM16       -0.5281439433       -2.8589672868        0.0952571739
HM17       -0.6531708222       -2.4872458115        2.6082953940
HM18       -2.4130617673       -2.6960902036        2.5144517898
HM19       -1.3402778596       -4.0307164326        2.0888933504
HM20        0.8788446799       -1.1687861967       -0.4826342058
           43
Energy of minimum     48=      -85.7546395894 first found at step      872
C82         0.7866774893        1.3402064842        2.6897183937
C81         0.8500348719        2.4062440515        1.5775264906
C8          1.1658951697        1.8019850370        0.1847812134
C9          1.3264228006        2.8903349578       -0.9046250989
C91         2.6173724336        3.7189578384       -0.7413888533
O7          0.0615990266        0.9507771771       -0.2274825608
C6          0.3136608174       -0.4811337859       -0.2406762120
C7          1.1727687189       -0.8228696365       -1.4462526125
C2          0.9647799475       -1.8909327196       -2.2501407444
C1          1.8754239807       -2.1971674340       -3.4085707898
O1B         2.8366563732       -1.4799173507       -3.6382539521
O1A         1.6531828800       -3.1595603302       -4.1255775572
C3         -0.1933034085       -2.8505362936       -2.0068231095
C4         -0.7973947184       -2.7188834783       -0.5906702356
N4         -2.0446361634       -3.5169898078       -0.5091352023
HAB        -2.7281143976       -3.1374160508       -1.1690229663
HAA        -2.4659333043       -3.3640050738        0.4113184663
C5         -1.0471672951       -1.2247355854       -0.2585050202
N5         -1.7784225099       -1.0528333509        1.0171439122
HAD        -1.3835244023       -1.4790590255        1.8398825068
C10        -2.8640111364       -0.2793001160        1.1870306675
C11        -3.3509392315       -0.1797437733        2.6092985766
O10        -3.4162335643        0.2848570388        0.2590623184
HM1        -0.9710898124       -2.6578472125       -2.7504208543
HM2         0.1275412562       -3.8859920817       -2.1460171825
HM3        -4.2388103598        0.4529512774        2.6644990899
HM4        -2.5735583959        0.2511358731        3.2434539635
HM5        -3.6023253215       -1.1712464454        2.9911392981
HM6        -0.0760141426       -3.1137742003        0.1343131761
HM7         2.0094798076       -0.1528663023       -1.6311941202
HM8        -1.6412800836       -0.8015259164       -1.0746117737
HM9         1.7175671864        0.7698983858        2.7301758676
HM10       -0.0399226186        0.6482257871        2.5234589304
HM11        0.6356270896        1.8176242384        3.6607138430
HM12       -0.0976694024        2.9489588987        1.5379269664
HM13        1.6226823999        3.1271485695        1.8499282742
HM14        2.0887933920        1.2154529829        0.2409854637
HM15        1.3530421970        2.4095851198       -1.8856835039
HM16        0.4598850675        3.5562588544       -0.8962533501
HM17        2.5940430465        4.3167741953        0.1716453609
HM18        3.4925619524        3.0659034345       -0.7093704088
HM19        2.7337413759        4.4031096883       -1.5854518978
HM20        0.8509109879       -0.7580539193        0.6721252267
           43
Energy of minimum     49=      -85.7309918737 first found at step      944
C82        -3.1069737030        1.0960603809        0.5871557684
C81        -2.1036699743        1.8425479238        1.4892021838
C8         -0.6886566892        1.2124572316        1.4453338756
C9          0.2933890299        1.9292854394        2.4105564615
C91        -0.0266867698        1.6644278696        3.8962940892
O7         -0.1832877481        1.3364347056        0.0868062672
C6          0.8937700995        0.4403449170       -0.3042446418
C7          1.8405244401        1.2574719684       -1.1595418806
C2          2.3901833185        0.8275814518       -2.3178571005
C1          3.3515139609        1.6801714617       -3.1012009589
O1B         3.6606076880        2.7885039185       -2.6920225038
O1A         3.8207089769        1.2698830436       -4.1505832894
C3          2.0777174051       -0.5560703199       -2.8710886469
C4          1.4758527730       -1.5045157419       -1.8097913362
N4          1.0297743134       -2.7563664601       -2.4691648103
HAB         0.6329140159       -3.3778088118       -1.7603556127
HAA         1.8402779708       -3.2562648173       -2.8455480584
C5          0.3199601029       -0.7946412813       -1.0526993759
N5         -0.3899342730       -1.7155154282       -0.1354951268
HAD         0.0914149810       -2.0007487602        0.7019077144
C10        -1.6352259402       -2.1852985472       -0.3208441284
C11        -2.1391957552       -3.0797705796        0.7818705311
O10        -2.3037760843       -1.9054708791       -1.2998544062
HM1         1.3741054691       -0.4528307130       -3.7013759462
HM2         2.9796009584       -1.0216430926       -3.2762572952
HM3        -3.1556372676       -3.4147729104        0.5664727800
HM4        -2.1417353619       -2.5406650247        1.7315331101
HM5        -1.4945237244       -3.9555057644        0.8800037135
HM6         2.2560637258       -1.7497068601       -1.0794648211
HM7         2.0751868763        2.2451742725       -0.7668531937
HM8        -0.3842961576       -0.4210770610       -1.8024018534
HM9        -2.7938960081        1.1254415390       -0.4588059047
HM10       -4.0935459215        1.5590498042        0.6592392962
HM11       -3.1975574970        0.0523533116        0.8955114237
HM12       -2.0496771531        2.8905739733        1.1843157572
HM13       -2.4896195314        1.8221022875        2.5097126478
HM14       -0.7590761272        0.1542110396        1.7123570738
HM15        1.3134609629        1.5879512821        2.2241452235
HM16        0.2788978663        3.0054519884        2.2206578721
HM17       -0.9839403823        2.1038766214        4.1827184459
HM18       -0.0603569429        0.5911229625        4.0972565979
HM19        0.7455966962        2.1055488765        4.5311953432
HM20        1.4397473810        0.1006447820        0.5812047151
           43
Energy of minimum     50=      -85.7073649725 first found at step       40
C82         1.9031820831        3.4247018014       -0.6178124795
C81         1.5200998956        2.0660320588       -1.2390607920
C8          1.7138426089        0.8812651264       -0.2621782875
C9          3.2117669094        0.5617063610       -0.0198239472
C91         3.4240394432       -0.5749003729        1.0008797257
O7          1.0684710947       -0.2739763906       -0.8640449064
C6          0.1854662901       -1.0586961554       -0.0157432411
C7          0.2293010313       -2.4710236935       -0.5653380526
C2         -0.8570964031       -3.2456216612       -0.7863815610
C1         -0.7322225475       -4.6523994142       -1.3063423663
O1B        -1.7317097349       -5.3231116103       -1.5104486625
O1A         0.3703448032       -5.1247772742       -1.5337677665
C3         -2.2594166132       -2.7347679255       -0.4882163805
C4         -2.2557014987       -1.5289214947        0.4759335792
N4         -3.6314408147       -0.9887300507        0.5931852049
HAB        -3.9189323788       -0.6166291476       -0.3154067437
HAA        -3.6005558837       -0.1687106294        1.2043874449
C5         -1.2486944867       -0.4548949590       -0.0179651696
N5         -1.3402101045        0.7864545524        0.7847447462
HAD        -0.9468872986        0.7711317083        1.7124745899
C10        -1.8883496220        1.9398949069        0.3667951150
C11        -1.8233321870        3.0671555507        1.3632889935
O10        -2.4001216597        2.0563994440       -0.7319399078
HM1        -2.7401434886       -2.4477336749       -1.4270829056
HM2        -2.8729010731       -3.5234952349       -0.0455443008
HM3        -2.2452489989        3.9785963089        0.9354963923
HM4        -0.7870267094        3.2604106645        1.6471860704
HM5        -2.3868409381        2.8064384888        2.2613528410
HM6        -1.9280217171       -1.8748930988        1.4632517399
HM7         1.2289699714       -2.8484281482       -0.7724986251
HM8        -1.4952395539       -0.2256869074       -1.0594989974
HM9         1.3563521498        3.5918401322        0.3126625143
HM10        1.6563608647        4.2341744249       -1.3083338382
HM11        2.9733242776        3.4784257420       -0.4078193577
HM12        0.4705042335        2.1092989053       -1.5385713663
HM13        2.1054948586        1.9016932531       -2.1471222329
HM14        1.2361818026        1.1233226655        0.6913254487
HM15        3.6922130696        0.2952434873       -0.9645511614
HM16        3.7183027973        1.4515939470        0.3581921869
HM17        2.9306545965       -0.3408916468        1.9471342128
HM18        3.0281997900       -1.5200644501        0.6241420222
HM19        4.4902810457       -0.7116118069        1.1966202507
HM20        0.5767400957       -1.0758137823        1.0064399709
           43
Energy of minimum     51=      -85.6871151804 first found at step     3633
C82        -0.0603992289       -3.9639948437       -0.1192530896
C81         0.8258040430       -2.7129401957       -0.2872977182
C8          0.1380446589       -1.5940100035       -1.1060959946
C9          0.0334185538       -1.9509760795       -2.6114960298
C91        -0.7085170182       -0.8761051571       -3.4317807229
O7          0.9487864941       -0.3971587110       -0.9522423492
C6          0.2547816674        0.8378936404       -0.6234949391
C7          1.1007710712        1.9553662906       -1.2016500908
C2          1.4401843039        3.0855326620       -0.5408673695
C1          2.2595268725        4.1665274865       -1.1928766999
O1B         2.5633761635        5.1695247429       -0.5666491126
O1A         2.6303557189        4.0395599555       -2.3491136040
C3          0.9793243568        3.3271829304        0.8893472331
C4         -0.2248258489        2.4428175343        1.2785735674
N4         -0.5154439847        2.6152662087        2.7221897555
HAB         0.2766428682        2.2600788291        3.2635626985
HAA        -1.2895633512        1.9928581035        2.9677809106
C5          0.0632346585        0.9605993416        0.9158949536
N5         -0.9960875819        0.0603250795        1.4268493957
HAD        -1.8815467348        0.0633732435        0.9455841398
C10        -0.8649190321       -0.7747563251        2.4714067163
C11        -2.0824953187       -1.6097270035        2.7689185197
O10         0.1601474216       -0.8426498027        3.1251261964
HM1         1.8115513530        3.1276382723        1.5694467826
HM2         0.6952839428        4.3726543692        1.0332944167
HM3        -2.3527857505       -2.2036828286        1.8939751746
HM4        -2.9259022257       -0.9655362937        3.0255507784
HM5        -1.8887418495       -2.2851936514        3.6045799192
HM6        -1.0975204170        2.7713354673        0.7020794659
HM7         1.4268460383        1.7956377955       -2.2277361734
HM8         1.0174435989        0.6875954417        1.3774760065
HM9        -0.2372356056       -4.4563795009       -1.0772740973
HM10       -1.0244878718       -3.6980052685        0.3194444322
HM11        0.4281146812       -4.6835646090        0.5420323649
HM12        1.0672060054       -2.3270684041        0.7057421842
HM13        1.7701520787       -2.9951438593       -0.7593598492
HM14       -0.8642794946       -1.4223566407       -0.7038767945
HM15        1.0326777585       -2.0997827902       -3.0282037549
HM16       -0.5057805547       -2.8930293165       -2.7262968073
HM17       -1.7027451825       -0.6927349406       -3.0176984769
HM18       -0.1537883203        0.0641948311       -3.4397593251
HM19       -0.8254297105       -1.2058075942       -4.4669103373
HM20       -0.7211792269        0.8546415938       -1.1189222759
           43
Energy of minimum     52=      -85.6581824371 first found at step      141
C82         1.5230383655        0.3523442112        3.0152678127
C81         1.3181953905       -1.1403320357        2.6882503992
C8          0.2743077559       -1.3472150349        1.5643410345
C9         -0.1366316464       -2.8378331510        1.4153520910
C91         1.0217879249       -3.7789541971        1.0162204359
O7          0.8366407078       -0.8543871719        0.3159183112
C6         -0.1024948544       -0.5168576337       -0.7412695421
C7          0.5261083111       -0.9785785714       -2.0402589693
C2          0.5405378519       -0.2541936085       -3.1822700706
C1          1.1540137311       -0.7872107415       -4.4488857429
O1B         1.6491916639       -1.9033177923       -4.4673566227
O1A         1.1643670693       -0.1034186773       -5.4598123713
C3         -0.0889642350        1.1312870568       -3.2442527393
C4         -1.0634219421        1.3994112376       -2.0747904521
N4         -1.4907155509        2.8208912155       -2.1103374567
HAB        -0.6740128832        3.4231668931       -1.9814166765
HAA        -1.8542563312        3.0497509352       -3.0396044538
C5         -0.3890467507        1.0101562040       -0.7287884511
N5         -1.1976153486        1.4166861892        0.4417586551
HAD        -2.0238504903        0.8801725705        0.6458802457
C10        -0.9446896802        2.4814561471        1.2206397760
C11        -1.9357587156        2.6956861265        2.3356986240
O10         0.0162447300        3.2099867673        1.0427065034
HM1         0.7069394305        1.8807385890       -3.2311189874
HM2        -0.6335630106        1.2630088015       -4.1827919542
HM3        -2.9318248278        2.8654943266        1.9225077769
HM4        -1.6537135160        3.5611917204        2.9385954060
HM5        -1.9717095584        1.8157324556        2.9811867226
HM6        -1.9470517755        0.7645176339       -2.2095217659
HM7         0.9714045787       -1.9710910898       -2.0067940280
HM8         0.5796108025        1.5175742542       -0.6836852680
HM9         1.8886248879        0.8967816412        2.1417752184
HM10        0.5848289219        0.8064564792        3.3415967252
HM11        2.2549231753        0.4661773338        3.8182672098
HM12        2.2757218742       -1.5781890500        2.3974016693
HM13        0.9851928418       -1.6538257264        3.5934241191
HM14       -0.6180864401       -0.7670454373        1.8151253588
HM15       -0.5619807958       -3.1843190733        2.3602734129
HM16       -0.9324802668       -2.9226840176        0.6725498856
HM17        1.7957712857       -3.8016943604        1.7859349543
HM18        1.4756001274       -3.4660536932        0.0735912661
HM19        0.6486803942       -4.7978861012        0.8885121869
HM20       -1.0398632023       -1.0635816253       -0.5998202487
           43
Energy of minimum     53=      -85.6338170768 first found at step      230
C82        -2.3909153623       -2.4050863427        0.2411206787
C81        -2.6271130364       -1.3051640019        1.2953681763
C8         -1.3697278356       -0.4276726649        1.5072631507
C9         -1.5110442346        0.5076011448        2.7395168227
C91        -2.6558473671        1.5389064434        2.6262784171
O7         -1.1476349651        0.3574441106        0.3023465855
C6          0.1907991947        0.8858434480        0.0945249656
C7          0.0181239909        2.2697449836       -0.4979176451
C2          0.7342684597        2.7510408030       -1.5393295065
C1          0.5337033727        4.1496083603       -2.0576131947
O1B        -0.2866058780        4.8859890457       -1.5321816233
O1A         1.1853751094        4.5501812223       -3.0086745433
C3          1.7995019723        1.9028511393       -2.2212425289
C4          2.2470364740        0.6994842884       -1.3608772120
N4          3.1491937092       -0.1656859493       -2.1621860381
HAB         2.6391069001       -0.5299084286       -2.9705786801
HAA         3.9114621830        0.3960162275       -2.5514416382
C5          0.9989130725       -0.0633336623       -0.8332908538
N5          1.3618448249       -1.3287529486       -0.1577428648
HAD         1.7819320971       -1.2654460439        0.7543365671
C10         1.2339212331       -2.5533422459       -0.6945850090
C11         1.7064533204       -3.6802027113        0.1875395403
O10         0.7623909642       -2.7365958338       -1.8034610844
HM1         1.4046532580        1.5398669916       -3.1739458739
HM2         2.6806373415        2.5070306637       -2.4522248609
HM3         1.1432621312       -3.6846385854        1.1227776477
HM4         2.7662490501       -3.5569936598        0.4196930931
HM5         1.5658450416       -4.6414629997       -0.3107154979
HM6         2.8037337676        1.0811078204       -0.4968820124
HM7        -0.7356608859        2.8856403962       -0.0111245672
HM8         0.3609479345       -0.2904908461       -1.6930547170
HM9        -2.1498833244       -1.9690114385       -0.7309035164
HM10       -3.2887463307       -3.0164666149        0.1271552918
HM11       -1.5690351079       -3.0582683625        0.5429459622
HM12       -3.4702963629       -0.6852241292        0.9826718581
HM13       -2.9028972642       -1.7798505253        2.2400984706
HM14       -0.5150437069       -1.0891863410        1.6730333018
HM15       -1.6742798125       -0.1029082881        3.6308602901
HM16       -0.5713390435        1.0395289778        2.9016237504
HM17       -3.6279279356        1.0455687048        2.5656468553
HM18       -2.5295130073        2.1714741925        1.7452053314
HM19       -2.6647701945        2.1857778474        3.5067443060
HM20        0.7089262529        0.9849858126        1.0532224055
           43
Energy of minimum     54=      -85.6119458985 first found at step     2893
C82        -3.1505102243       -2.1313145116       -1.1386355620
C81        -2.2136128720       -1.7950586718        0.0395692163
C8         -0.7200711597       -1.7708746006       -0.3659197826
C9         -0.1677753409       -3.1917180440       -0.6501571283
C91         1.3015885789       -3.1804880978       -1.1187510912
O7          0.0111903680       -1.1860414385        0.7460796395
C6          0.9728199040       -0.1409265313        0.4329703562
C7          2.0341730887       -0.2165641913        1.5130223899
C2          2.5285377227        0.8491424479        2.1831151952
C1          3.6056491662        0.6989890239        3.2234367814
O1B         4.0617316306       -0.4049463095        3.4777160618
O1A         4.0212599820        1.6778709045        3.8223758925
C3          2.0347576442        2.2586883749        1.8903480948
C4          1.3347941649        2.3656769687        0.5183862309
N4          0.7441732143        3.7176824078        0.3714356342
HAB         0.2566839379        3.7565805608       -0.5268441444
HAA         0.0022952981        3.8318243524        1.0672415746
C5          0.2687366286        1.2455052986        0.3754749762
N5         -0.5399834260        1.4178755953       -0.8532817877
HAD        -0.1061621424        1.1847708942       -1.7325500387
C10        -1.8129831472        1.8466692469       -0.8879255566
C11        -2.4224216646        1.9048602339       -2.2639370411
O10        -2.4195317085        2.1650773705        0.1187697433
HM1         1.3398384212        2.5624379694        2.6776106504
HM2         2.8638563693        2.9705692059        1.9066759705
HM3        -1.8788651231        2.6214916584       -2.8825580294
HM4        -3.4687668654        2.2118025951       -2.2072450056
HM5        -2.3702987114        0.9243514961       -2.7410805710
HM6         2.0864978692        2.2229489765       -0.2667344017
HM7         2.4003844448       -1.2199027701        1.7224694705
HM8        -0.3900849210        1.3035038544        1.2476652980
HM9        -4.1927954497       -2.0410806238       -0.8247227928
HM10       -2.9940878047       -3.1526799740       -1.4905477219
HM11       -2.9856663949       -1.4458699653       -1.9731080948
HM12       -2.4902413261       -0.8126101742        0.4289376011
HM13       -2.3700677957       -2.5148444374        0.8468428010
HM14       -0.6029088367       -1.1510804028       -1.2592641808
HM15       -0.2581926620       -3.8113068802        0.2455277496
HM16       -0.7656445774       -3.6662450458       -1.4303871933
HM17        1.4205895595       -2.5464515551       -2.0004641433
HM18        1.9621462837       -2.8124432605       -0.3312542630
HM19        1.6217049378       -4.1919800034       -1.3800558331
HM20        1.4472629390       -0.3538919471       -0.5302469646
           43
Energy of minimum     55=      -85.5721270570 first found at step      464
C82        -0.5393342752       -0.2969580290        3.8613094461
C81        -0.2925216718       -1.2414489104        2.6644214003
C8          0.6351314839       -0.6534032751        1.5681074909
C9          2.0371194516       -0.2220928760        2.0780074190
C91         2.8359349158       -1.3876401373        2.6964348254
O7         -0.0334218281        0.4989616401        0.9857143487
C6          0.3337452072        0.8524917844       -0.3756196710
C7          0.3578729771        2.3661688315       -0.4390315288
C2         -0.1751653553        3.0987526208       -1.4435832574
C1         -0.0844904065        4.6008082214       -1.4604436602
O1B         0.4881477617        5.1899525016       -0.5569316981
O1A        -0.5885008112        5.2355573724       -2.3729897954
C3         -0.8740855401        2.4317160815       -2.6212453796
C4         -0.5290069971        0.9312756817       -2.7512127462
N4         -1.3954301814        0.3119876603       -3.7830601793
HAB        -1.1922582092       -0.6904710367       -3.8127413250
HAA        -2.3703614581        0.3657391214       -3.4762826388
C5         -0.6790229799        0.2302621522       -1.3753911853
N5         -0.5275253590       -1.2384745705       -1.4848898258
HAD         0.3576447052       -1.5915487527       -1.8124538841
C10        -1.4510131683       -2.1411745137       -1.1131894222
C11        -1.0155158630       -3.5772526303       -1.2411859485
O10        -2.5536067148       -1.8184722529       -0.7089935282
HM1        -1.9545442920        2.5452255513       -2.4999328376
HM2        -0.6073385107        2.9254891261       -3.5590713128
HM3        -1.8165321907       -4.2479788810       -0.9245835589
HM4        -0.1378516834       -3.7601544154       -0.6177666413
HM5        -0.7591927007       -3.8014726589       -2.2785546784
HM6         0.5168175565        0.8408461841       -3.0673163863
HM7         0.8618717207        2.8512037529        0.3949863606
HM8        -1.6811094570        0.4605426379       -1.0003080184
HM9         0.3823769501       -0.1146958591        4.4173351717
HM10       -1.2605620338       -0.7458080453        4.5477676514
HM11       -0.9414591074        0.6620278214        3.5263531688
HM12        0.1212660167       -2.1840180469        3.0286973721
HM13       -1.2547359780       -1.4871783137        2.2087831199
HM14        0.7629790292       -1.4173908350        0.7964818103
HM15        2.6172857555        0.1767077095        1.2432840040
HM16        1.9431569586        0.5850648885        2.8077098214
HM17        2.9130898680       -2.2188562968        1.9915951033
HM18        2.3638705360       -1.7482320361        3.6125281580
HM19        3.8472516679       -1.0589891446        2.9479559137
HM20        1.3390242109        0.4829301762       -0.6006934780
           43
Energy of minimum     56=      -85.5501155725 first found at step     1369
C82        -3.2974892416       -0.6695916646        2.4796350824
C81        -2.3517366735        0.0332684475        1.4843464550
C8         -0.8681572627        0.0026751969        1.9386414087
C9         -0.6151142463        0.9105442145        3.1685585066
C91         0.8495076641        0.8462389874        3.6491779438
O7         -0.0425514534        0.4819139855        0.8425259852
C6          0.3282870263       -0.5000978475       -0.1624616875
C7          1.5693209973       -1.2285733854        0.3189638859
C2          2.6224189697       -1.5359797346       -0.4721935451
C1          3.8125482774       -2.2915348401        0.0545369771
O1B         4.7548576765       -2.5412146865       -0.6804330441
O1A         3.8409165460       -2.6530253089        1.2202128326
C3          2.6422496736       -1.1481970673       -1.9455895747
C4          1.2435989849       -0.7752680695       -2.4886913610
N4          1.3780689678       -0.2236210114       -3.8603226582
HAB         1.8825574281       -0.8898731194       -4.4515666306
HAA         1.9674317239        0.6128299330       -3.8357369179
C5          0.5494150216        0.2196762069       -1.5188208099
N5         -0.7228906500        0.7362466821       -2.0697364830
HAD        -1.3099853067        0.0845554411       -2.5629090788
C10        -1.1556028224        2.0035961022       -1.9686892066
C11        -2.5149790663        2.2547569075       -2.5691088250
O10        -0.4942070638        2.8815213320       -1.4424886848
HM1         3.3187762937       -0.2993694686       -2.0762926701
HM2         3.0394730158       -1.9664971812       -2.5517299335
HM3        -2.5044199890        2.0127853570       -3.6335827788
HM4        -2.7995441220        3.3021550040       -2.4501580743
HM5        -3.2633923787        1.6300872537       -2.0772460832
HM6         0.6364301908       -1.6870461496       -2.5347432618
HM7         1.5651065372       -1.5152081485        1.3685223975
HM8         1.2349098455        1.0562962750       -1.3504508738
HM9        -3.3383299434       -0.1383161266        3.4322814352
HM10       -2.9687380032       -1.6948838905        2.6644934356
HM11       -4.3109979798       -0.7046959593        2.0729788453
HM12       -2.4493213754       -0.4645277244        0.5174112895
HM13       -2.6757610611        1.0674879646        1.3436207767
HM14       -0.5801530088       -1.0239774739        2.1871439125
HM15       -0.8753753476        1.9445530008        2.9287803456
HM16       -1.2562059552        0.5991154084        3.9951351866
HM17        1.1286691912       -0.1808086580        3.8957335878
HM18        1.5321780077        1.2171216836        2.8814478865
HM19        0.9810019262        1.4599191862        4.5435330409
HM20       -0.4827710144       -1.2250370540       -0.2847290343
           43
Energy of minimum     57=      -85.5229137342 first found at step     2887
C82        -1.1880056758       -2.9664393043        0.3034623054
C81        -0.7112125127       -2.4616892587        1.6795670805
C8          0.5362920228       -1.5477944694        1.5782029428
C9          1.1775992594       -1.2694320381        2.9619273514
C91         0.2380789015       -0.5732726511        3.9720055647
O7          0.1621191182       -0.2760809552        0.9801532353
C6          0.6119204188       -0.0375939871       -0.3812624913
C7          2.0883401933        0.3168511697       -0.3568865699
C2          2.6436066173        1.3104141328       -1.0874002976
C1          4.1222661957        1.5878879184       -1.0480766101
O1B         4.5936262969        2.5004956120       -1.7079980773
O1A         4.8547625430        0.9033832717       -0.3514122219
C3          1.7976075063        2.1844999079       -2.0041614903
C4          0.4120213672        1.5733802130       -2.3142205775
N4         -0.4199971608        2.5802040325       -3.0182817552
HAB        -0.0116535757        2.7864717100       -3.9340687104
HAA        -1.3386544057        2.1742174973       -3.2155164034
C5         -0.2595629621        1.0849218465       -1.0036734131
N5         -1.6497314186        0.6253321306       -1.2265124249
HAD        -1.8074335855       -0.0381521980       -1.9671475653
C10        -2.7035159879        0.9557376968       -0.4606607627
C11        -3.9933924045        0.2731223625       -0.8366500632
O10        -2.6226384162        1.7515043047        0.4585993930
HM1         1.6612670907        3.1600695687       -1.5300135263
HM2         2.3138838666        2.3625889434       -2.9507505367
HM3        -3.8862292171       -0.8087124616       -0.7372773810
HM4        -4.2545219740        0.5039366206       -1.8714410707
HM5        -4.8059490974        0.6055258290       -0.1875385180
HM6         0.5510592921        0.7050210546       -2.9690959957
HM7         2.7084671399       -0.3030943082        0.2866951286
HM8        -0.2654651097        1.9281156205       -0.3059881493
HM9        -2.0255465946       -3.6567432786        0.4258690603
HM10       -0.3831167674       -3.4927570262       -0.2147536318
HM11       -1.5229183162       -2.1375230579       -0.3222203448
HM12       -1.5298841024       -1.9274541987        2.1670701904
HM13       -0.4718284044       -3.3275409740        2.3016033706
HM14        1.2875747317       -2.0435446797        0.9547772574
HM15        1.5239083706       -2.2124316448        3.3915995369
HM16        2.0642816575       -0.6474623757        2.8178790843
HM17       -0.1384334140        0.3708427096        3.5720968392
HM18       -0.6120695710       -1.2101793166        4.2243523919
HM19        0.7781460647       -0.3559709148        4.8965536094
HM20        0.4749320196       -0.9506550543       -0.9694057535
           43
Energy of minimum     58=      -85.4947335781 first found at step      636
C82         0.8166687621        1.2022398931       -3.5658157808
C81         1.5682210216        1.0290605789       -2.2273919188
C8          1.2704111055       -0.3047990164       -1.4955378904
C9          1.6683514110       -1.5417147529       -2.3409782565
C91         1.6223108938       -2.8542191034       -1.5331518865
O7         -0.1510706970       -0.3560104311       -1.1906533871
C6         -0.5261924414       -0.7592301041        0.1548035922
C7         -1.8619719469       -1.4639469847        0.0260687464
C2         -2.9218955130       -1.2551186201        0.8398695558
C1         -4.2093172364       -2.0161266542        0.6720272990
O1B        -5.1543687790       -1.7954755141        1.4127744170
O1A        -4.3150268363       -2.8522087655       -0.2113247123
C3         -2.8487509274       -0.2546060893        1.9850630189
C4         -1.3961874215        0.1068959880        2.3654165418
N4         -1.4064624753        1.2056264364        3.3607690775
HAB        -0.4366166648        1.4499314185        3.5745971831
HAA        -1.7862185973        2.0469319324        2.9185147165
C5         -0.5907247208        0.4804925297        1.0911747121
N5          0.7535564444        1.0051349427        1.4233463363
HAD         1.4644595568        0.3379844242        1.6778158285
C10         1.1098377265        2.2999197615        1.3790704184
C11         2.5554543805        2.5682793652        1.7051109718
O10         0.3192523824        3.1826882447        1.0982826461
HM1        -3.3848696518        0.6534528074        1.6969968391
HM2        -3.3466851515       -0.6482468160        2.8747548935
HM3         3.2005400332        2.0536127863        0.9903120338
HM4         2.7888292431        2.2065112808        2.7085729614
HM5         2.7658594900        3.6387098780        1.6598986544
HM6        -0.9268818769       -0.7738821376        2.8191200063
HM7        -1.9203280936       -2.1872424654       -0.7851961773
HM8        -1.1524566558        1.2537268156        0.5574694721
HM9         1.1308957746        0.4531661461       -4.2953245105
HM10        1.0275153351        2.1878210624       -3.9866045809
HM11       -0.2631923756        1.1195382439       -3.4223606779
HM12        2.6429065645        1.1044929592       -2.4095731116
HM13        1.3048484550        1.8587266250       -1.5678922967
HM14        1.8506056014       -0.3132617879       -0.5684544460
HM15        1.0108654663       -1.6355024806       -3.2082899605
HM16        2.6845428389       -1.4032399981       -2.7182602195
HM17        0.6019643995       -3.0859652802       -1.2212668654
HM18        2.2530208271       -2.7829988713       -0.6439995529
HM19        1.9839786487       -3.6854456642       -2.1431813424
HM20        0.2043217000       -1.4757025831        0.5434276519
           43
Energy of minimum     59=      -85.4722684899 first found at step       19
C82        -1.9473071284       -2.4242162566       -0.7285268249
C81        -0.5030099493       -2.7777887267       -1.1354506543
C8          0.2963749440       -1.5473825663       -1.6357897187
C9          1.6299179553       -1.9492536483       -2.3166892996
C91         2.6009444582       -2.7324950119       -1.4049101488
O7          0.5999413294       -0.6707083638       -0.5158624391
C6         -0.1634400957        0.5629860973       -0.4284919396
C7          0.3914395240        1.5556022022       -1.4345889186
C2          0.5953432175        2.8670453932       -1.1744402880
C1          1.1131927472        3.8097387816       -2.2270849229
O1B         1.3005583628        4.9860758238       -1.9593995267
O1A         1.3522348390        3.3991783248       -3.3516938992
C3          0.2894608436        3.4575432166        0.1960588922
C4         -0.6180100590        2.5503186324        1.0581829874
N4         -0.6760220421        3.0877470171        2.4399971393
HAB        -1.1418352180        3.9993095205        2.4369210538
HAA        -1.2716901085        2.4800191525        3.0088187651
C5         -0.0934422901        1.0905010020        1.0286916885
N5         -0.8410732417        0.2089720344        1.9543928608
HAD        -1.8456256316        0.2115187036        1.8890615388
C10        -0.2817717376       -0.6730942673        2.7999185843
C11        -1.2639964297       -1.5360740316        3.5493879383
O10         0.9238604481       -0.7601021324        2.9544342536
HM1         1.2324063872        3.6258339651        0.7230051095
HM2        -0.1948941867        4.4320642201        0.0960587267
HM3        -1.8484910230       -2.1329138247        2.8465937640
HM4        -1.9472945682       -0.9129122235        4.1299175271
HM5        -0.7401100462       -2.2101362486        4.2300089916
HM6        -1.6275686541        2.5573265160        0.6304059304
HM7         0.6084340206        1.1511872530       -2.4207844699
HM8         0.9598588209        1.1154085914        1.3248383917
HM9        -2.4740945811       -1.9415521660       -1.5549395804
HM10       -1.9588057854       -1.7541790728        0.1323536272
HM11       -2.4942488499       -3.3301715132       -0.4570802986
HM12        0.0061017593       -3.2356152513       -0.2842388676
HM13       -0.5426832644       -3.5259408925       -1.9308598808
HM14       -0.3065844909       -1.0092314321       -2.3744993711
HM15        1.4119912910       -2.5509625201       -3.2022745188
HM16        2.1292712034       -1.0436620042       -2.6694535227
HM17        2.8351345277       -2.1653670795       -0.5012740330
HM18        2.1783585610       -3.6961139199       -1.1134158306
HM19        3.5373165708       -2.9250799013       -1.9338714827
HM20       -1.2101424295        0.3565766072       -0.6734273336
           43
Energy of minimum     60=      -85.4485699658 first found at step      909
C82        -3.4141836109        0.8504874436       -2.1503756083
C81        -2.0274102465        0.8125333542       -1.4762508675
C8         -2.0857291530        0.3439476896        0.0046573548
C9         -2.9641600518        1.2370219377        0.9211710161
C91        -2.5549360754        2.7268328407        0.9403355394
O7         -0.7410786615        0.3312358706        0.5558373590
C6          0.0882266501       -0.8182492871        0.2349410915
C7         -0.2083281798       -1.9190546833        1.2352945342
C2          0.7390671130       -2.6881361486        1.8185789630
C1          0.3806421616       -3.7913972316        2.7772090153
O1B         1.2583008322       -4.4605089499        3.2992137527
O1A        -0.7901062906       -4.0172661138        3.0395052393
C3          2.2185714958       -2.4843029489        1.5163520262
C4          2.4686898225       -1.6477401118        0.2401296414
N4          3.9095612292       -1.3048947695        0.1530871190
HAB         4.4603470039       -2.1577834170        0.0218081800
HAA         4.0686082544       -0.7463654585       -0.6898813377
C5          1.5748659846       -0.3797457732        0.2506401075
N5          1.8717976160        0.5266487245       -0.8823309147
HAD         1.8858042257        0.1275553197       -1.8066389887
C10         2.0164233706        1.8591874850       -0.7858976761
C11         2.1922028072        2.5697238131       -2.1030322906
O10         2.0140997341        2.4435627758        0.2833551078
HM1         2.6839339332       -1.9836963740        2.3695739745
HM2         2.7238571693       -3.4464015865        1.4007132341
HM3         2.3070215466        3.6436534353       -1.9443581747
HM4         1.3213690386        2.4006517601       -2.7398026212
HM5         3.0788440417        2.1942948112       -2.6178326972
HM6         2.1926121026       -2.2509183933       -0.6329205105
HM7        -1.2617888945       -2.0776967507        1.4564174277
HM8         1.7602558798        0.1447707507        1.1931596745
HM9        -3.3084125438        1.0887766018       -3.2110787135
HM10       -4.0529436673        1.6117997636       -1.6982075543
HM11       -3.9115264241       -0.1188785306       -2.0660126860
HM12       -1.3962248334        0.1289408592       -2.0470517303
HM13       -1.5615146577        1.7979707170       -1.5454023460
HM14       -2.4894884421       -0.6727802942        0.0407564426
HM15       -4.0107382769        1.1563027103        0.6201345048
HM16       -2.9086744506        0.8453526431        1.9398098835
HM17       -1.5066326703        2.8419515263        1.2247195285
HM18       -2.7049643413        3.1903517146       -0.0366701030
HM19       -3.1633531244        3.2726411495        1.6652618400
HM20       -0.1529074169       -1.1803788749       -0.7689177370
           43
Energy of minimum     61=      -85.4238782391 first found at step      109
C82        -1.8333804531        2.8337070119       -2.3713291789
C81        -0.8934298476        1.8207902864       -1.6861051937
C8         -0.9749259225        1.8713534581       -0.1347012246
C9         -0.6103933825        3.2502608311        0.4776290949
C91         0.7913558422        3.7699734357        0.0872842300
O7         -0.0665820118        0.8843897043        0.4246760233
C6         -0.5315381852       -0.4921983687        0.4547704765
C7         -1.3492300931       -0.6961117105        1.7158357329
C2         -1.2576349311       -1.7870315382        2.5100584168
C1         -2.1226538101       -1.9507183545        3.7305423155
O1B        -2.9397607839       -1.0911165083        4.0215994787
O1A        -2.0072252616       -2.9400784234        4.4358867620
C3         -0.2828819975       -2.9148022364        2.1941723463
C4          0.2443372256       -2.8735523137        0.7410834134
N4          1.3496899664       -3.8519876338        0.5925396279
HAB         0.9889497073       -4.8021353257        0.7154433565
HAA         1.6990093406       -3.8162878261       -0.3689963831
C5          0.6969089980       -1.4344375349        0.3792350519
N5          1.3366403523       -1.3650665920       -0.9546741999
HAD         0.8399622490       -1.7709218325       -1.7308418553
C10         2.4769933422       -0.7092292471       -1.2293792012
C11         2.8542232561       -0.6870448003       -2.6881483850
O10         3.1551966088       -0.1825151970       -0.3648287201
HM1         0.5627426002       -2.8493798332        2.8839537165
HM2        -0.7523316136       -3.8873861117        2.3616127549
HM3         2.0755350177       -0.1865245549       -3.2669632073
HM4         2.9675059003       -1.7059583574       -3.0639511723
HM5         3.7956550864       -0.1531951059       -2.8323382419
HM6        -0.5722404584       -3.1531345404        0.0648498515
HM7        -2.0525001454        0.1002752131        1.9503368636
HM8         1.4131126196       -1.1140082386        1.1422561896
HM9        -1.8123526060        2.6908509328       -3.4540161155
HM10       -1.5272143966        3.8608204820       -2.1630804665
HM11       -2.8623361127        2.6989325863       -2.0289485694
HM12       -1.1692397940        0.8222602775       -2.0301601409
HM13        0.1325106710        1.9927519053       -2.0189722355
HM14       -1.9951588907        1.6256264393        0.1764054923
HM15       -1.3602132359        3.9903720459        0.1904536051
HM16       -0.6632900189        3.1689354923        1.5660663633
HM17        1.5652949728        3.0449664833        0.3489141535
HM18        0.8525309881        3.9755449723       -0.9831811198
HM19        1.0067178602        4.7001821232        0.6182528342
HM20       -1.1683586525       -0.6871714958       -0.4132425399
           43
Energy of minimum     62=      -85.4026569384 first found at step       68
C82         1.8606166532        2.6280710809        0.7689750948
C81         2.7121509720        1.3516718696        0.9243505112
C8          1.8547373932        0.0632554905        0.8549742916
C9          2.7010793314       -1.2143671949        1.0984935166
C91         3.1796821210       -1.3463418500        2.5590944060
O7          1.2686156828       -0.0163841039       -0.4736755357
C6          0.0690265479       -0.8260805081       -0.6146847935
C7          0.1974404874       -1.5583524206       -1.9348157150
C2         -0.8036011467       -1.6935945898       -2.8340987026
C1         -0.6175138379       -2.4633010896       -4.1137919064
O1B        -1.5356694301       -2.5563090163       -4.9130095484
O1A         0.4553302123       -2.9915785003       -4.3595115119
C3         -2.1786275243       -1.0907379781       -2.5781996835
C4         -2.4071448094       -0.7304869722       -1.0925596614
N4         -3.6895305089        0.0057955752       -0.9596055845
HAB        -3.6335791256        0.8809688167       -1.4862179151
HAA        -4.4432233777       -0.5295860079       -1.3993373063
C5         -1.1926033647        0.0785608871       -0.5549970949
N5         -1.4311642403        0.6121174491        0.8042069093
HAD        -1.3837191690       -0.0344538683        1.5734987903
C10        -1.7640526185        1.8826352718        1.0855335150
C11        -1.9819709324        2.1669525789        2.5494143575
O10        -1.8707450433        2.7382697146        0.2239643515
HM1        -2.2884817003       -0.1911287617       -3.1897142959
HM2        -2.9646862729       -1.7838204928       -2.8889012559
HM3        -2.2310284298        3.2190198340        2.7002482821
HM4        -1.0778183717        1.9359477612        3.1164670816
HM5        -2.8000624199        1.5541152753        2.9331306029
HM6        -2.4771947737       -1.6620462234       -0.5186693821
HM7         1.1751001712       -1.9991537111       -2.1212755617
HM8        -1.0206231421        0.9154494384       -1.2390371187
HM9         1.1078613963        2.6846272132        1.5581314992
HM10        1.3544348885        2.6485373676       -0.1986366317
HM11        2.4945632388        3.5150044622        0.8388960067
HM12        3.4786621477        1.3266974578        0.1458259173
HM13        3.2277156974        1.4058422281        1.8846009439
HM14        1.0584089027        0.1229533614        1.6024101605
HM15        2.1093207488       -2.1004040566        0.8595276093
HM16        3.5652293980       -1.2186984259        0.4294475178
HM17        3.8844601452       -0.5549766180        2.8208720294
HM18        2.3323137792       -1.3017134139        3.2471846538
HM19        3.6853863033       -2.3042115175        2.7034896137
HM20        0.0209040209       -1.5687658130        0.1880015432
           43
Energy of minimum     63=      -85.3825481092 first found at step      967
C82        -3.7389859213       -1.1367716610        0.2591960385
C81        -2.8816863168       -0.1978716524       -0.6182341083
C8         -1.4327131544       -0.6966593881       -0.8646166209
C9         -1.3402105160       -2.1064567625       -1.5093514018
C91        -2.0349374950       -2.1848341899       -2.8842516264
O7         -0.7385565584       -0.7121338646        0.4129066323
C6          0.7088010658       -0.5815856976        0.3755535829
C7          1.2549523751       -1.4997787353        1.4500731590
C2          2.2354512000       -1.1629098715        2.3190183882
C1          2.7552408409       -2.1384414008        3.3402143895
O1B         3.6306126603       -1.8013983762        4.1216350833
O1A         2.2975985117       -3.2689796968        3.3946252702
C3          2.8773783567        0.2181177221        2.2870667034
C4          2.6192323249        0.9682185471        0.9611800142
N4          3.0959066273        2.3670778397        1.0832739002
HAB         2.8639926552        2.8614614977        0.2178973400
HAA         2.5484692499        2.8444115059        1.8043528939
C5          1.1125134417        0.9017694838        0.5975376075
N5          0.7888890412        1.7512795224       -0.5711249959
HAD         1.2314371816        1.5245929528       -1.4476174827
C10        -0.1037524084        2.7557872389       -0.5737320323
C11        -0.3170885128        3.4055372171       -1.9156337146
O10        -0.6887424503        3.1117875093        0.4333835168
HM1         2.4846339652        0.8085172032        3.1190346167
HM2         3.9580742490        0.1454421915        2.4329424738
HM3        -1.0504653958        4.2103432510       -1.8369965103
HM4        -0.6801829932        2.6691642144       -2.6355777603
HM5         0.6222030765        3.8212935722       -2.2857542726
HM6         3.1842129973        0.4707074258        0.1642300110
HM7         0.8070429344       -2.4915495422        1.4755715315
HM8         0.5518157898        1.2590296163        1.4669528886
HM9        -4.7167966673       -0.6857232379        0.4418446559
HM10       -3.2622727633       -1.3136903297        1.2257837253
HM11       -3.9017130661       -2.0985617484       -0.2315078235
HM12       -3.3832223735       -0.0430897682       -1.5758178953
HM13       -2.8339492590        0.7824402383       -0.1380534650
HM14       -0.9425829743        0.0229849601       -1.5259191000
HM15       -0.2898697196       -2.3705577282       -1.6488320194
HM16       -1.7654222874       -2.8579370888       -0.8405417957
HM17       -3.1146247841       -2.0515351803       -2.7905506529
HM18       -1.6445209383       -1.4176583751       -3.5569571149
HM19       -1.8569776564       -3.1616117057       -3.3406522027
HM20        1.0908156671       -0.9202277083       -0.5925518271
           43
Energy of minimum     64=      -85.3586629066 first found at step      180
C82        -3.0894269458       -1.2847663668       -2.0390360156
C81        -2.8059218422       -0.3192159587       -0.8669470777
C8         -1.4594834240        0.4448807407       -0.9775679212
C9         -1.2964243034        1.2717379695       -2.2819469800
C91        -2.3858893657        2.3507855665       -2.4485568232
O7         -0.3817121308       -0.5275691913       -0.8929979503
C6          0.9011183480       -0.0455144317       -0.4079685001
C7          1.9659606939       -0.7507677382       -1.2232490756
C2          3.0905282802       -1.2959111930       -0.7054998055
C1          4.1251117519       -1.9517852201       -1.5796545461
O1B         5.1233563146       -2.4487281473       -1.0826133093
O1A         3.9655636270       -1.9948107781       -2.7892860149
C3          3.3730769072       -1.2490776652        0.7905820407
C4          2.5204757502       -0.1928530641        1.5286128518
N4          2.7008158780       -0.3469232675        2.9923418762
HAB         2.3499144534       -1.2648709291        3.2766767495
HAA         2.0828278154        0.3196125940        3.4632735092
C5          1.0316106899       -0.3271807768        1.1139632628
N5          0.1526013743        0.5476888857        1.9228621240
HAD         0.3059543054        1.5420386184        1.8650767490
C10        -0.8815411733        0.1262451495        2.6705405454
C11        -1.6767711864        1.2262672941        3.3233433332
O10        -1.1480941603       -1.0539269873        2.8096981302
HM1         3.1754434608       -2.2358222817        1.2175114996
HM2         4.4269009615       -1.0283729499        0.9781874379
HM3        -2.1049542077        1.8797530485        2.5607733358
HM4        -1.0323566403        1.8231045802        3.9720094200
HM5        -2.4880963295        0.8084270792        3.9227487581
HM6         2.8679912565        0.8038435357        1.2324804219
HM7         1.7758567034       -0.7825809215       -2.2945719565
HM8         0.7427575142       -1.3709466956        1.2721279024
HM9        -2.2791625140       -2.0077071597       -2.1561537443
HM10       -3.2119015087       -0.7412120827       -2.9779037069
HM11       -4.0120850222       -1.8387931546       -1.8514727254
HM12       -3.6268528667        0.3960606850       -0.7837197998
HM13       -2.8046315375       -0.8905957653        0.0644000583
HM14       -1.3923729537        1.1234042794       -0.1228402509
HM15       -0.3263694157        1.7730172138       -2.2722939986
HM16       -1.2988748792        0.6114247669       -3.1518957684
HM17       -3.3707641986        1.9005568516       -2.5885151760
HM18       -2.4199176867        3.0018849159       -1.5719648663
HM19       -2.1729845526        2.9683996557       -3.3244899744
HM20        0.9887227593        1.0307992961       -0.5860640189
           43
Energy of minimum     65=      -85.3356479752 first found at step      579
C82         1.6209403254       -3.5486676909        0.3681153949
C81         1.9319542089       -2.2092942473       -0.3360125137
C8          1.4755840366       -0.9511066285        0.4499044015
C9          2.0605497343       -0.8436451971        1.8844559130
C91         3.6019701670       -0.7910928861        1.9015558463
O7          0.0237327998       -0.9714331091        0.5285695273
C6         -0.6433811618        0.3104998834        0.6865586897
C7         -1.8053518258        0.0812848895        1.6317091738
C2         -3.0521757307        0.5716859897        1.4449822330
C1         -4.1525129728        0.3342927552        2.4437797065
O1B        -3.9305465092       -0.3080965218        3.4583770859
O1A        -5.2716428534        0.7768010451        2.2402841042
C3         -3.3944182896        1.4108893770        0.2206980203
C4         -2.1425935075        1.9731796726       -0.4892317247
N4         -2.5416114548        2.6008340611       -1.7721007863
HAB        -1.6945064920        2.9146473065       -2.2527190884
HAA        -2.9329621887        1.8827402084       -2.3874744563
C5         -1.0986722760        0.8448843448       -0.6990300134
N5          0.0422570674        1.2959689223       -1.5279180184
HAD         0.6072977525        2.0497949142       -1.1701617820
C10         0.4286641316        0.7315891066       -2.6847183017
C11         1.6774457439        1.3202780050       -3.2869330061
O10        -0.1882412502       -0.1814401541       -3.2034460896
HM1        -3.9622273913        0.7946305883       -0.4813063296
HM2        -4.0369407207        2.2512046491        0.4955052794
HM3         1.5282032538        2.3814446961       -3.4952563124
HM4         1.9301704817        0.8116121824       -4.2194734098
HM5         2.5136776700        1.2156034374       -2.5926270853
HM6        -1.6923261120        2.7385760463        0.1536328658
HM7        -1.5681272750       -0.5114070996        2.5133586093
HM8        -1.6081598719        0.0206936515       -1.2079784424
HM9         0.5553370048       -3.6361436398        0.5911049992
HM10        2.1824507086       -3.6451338134        1.2994176429
HM11        1.9005904995       -4.3838941375       -0.2781166318
HM12        3.0040092481       -2.1478710695       -0.5345011451
HM13        1.4410780181       -2.2050797304       -1.3121832777
HM14        1.7872888960       -0.0725266199       -0.1213940204
HM15        1.6884730926        0.0670503533        2.3583488694
HM16        1.7157435736       -1.6789759505        2.4977748309
HM17        4.0339428166       -1.7308819778        1.5516013502
HM18        3.9664591250        0.0197141998        1.2665427684
HM19        3.9612748307       -0.6160887329        2.9185648226
HM20        0.0373026967        1.0328789208        1.1477403003
           43
Energy of minimum     66=      -85.3000914693 first found at step       22
C82        -0.2211917312        3.0793136854       -0.2942359713
C81        -1.6198002263        2.4783602453       -0.5394831096
C8         -1.5621853792        1.0299834584       -1.0907107230
C9         -2.9667783683        0.4767867198       -1.4349589738
C91        -3.5878329191        1.1445630349       -2.6792376247
O7         -0.9999972112        0.1542728280       -0.0750003079
C6          0.3373662212       -0.3592197671       -0.3254862686
C7          0.2601970199       -1.4469452129       -1.3831242820
C2          0.9370789254       -2.6162650379       -1.3219581610
C1          0.8477945924       -3.6390068338       -2.4224621208
O1B         1.4592119220       -4.6919761602       -2.3332370303
O1A         0.1591435710       -3.4203271089       -3.4064891566
C3          1.8413564424       -2.9452952396       -0.1412438190
C4          2.2077313094       -1.7050296336        0.7053482076
N4          2.8913187025       -2.1450916182        1.9466263362
HAB         3.7883351353       -2.5789045592        1.7118409332
HAA         3.1261956767       -1.3215597604        2.5072615159
C5          0.9335597277       -0.8742793549        1.0114238519
N5          1.2063776594        0.2410599906        1.9467037155
HAD         1.9672564640        0.8608308273        1.7221167997
C10         0.4595620554        0.5473769896        3.0211134980
C11         0.8916766508        1.7908455576        3.7548713565
O10        -0.4859872820       -0.1334197606        3.3781891557
HM1         1.3348554959       -3.6763890234        0.4944558756
HM2         2.7677171164       -3.4127835236       -0.4841966610
HM3         0.8238811412        2.6572424472        3.0942689648
HM4         1.9253079185        1.6897327696        4.0919523596
HM5         0.2545745093        1.9631104511        4.6246361675
HM6         2.8927732584       -1.0752517558        0.1253938921
HM7        -0.3755101530       -1.2263685384       -2.2377343759
HM8         0.2027086797       -1.5526728367        1.4624252496
HM9         0.3766350476        3.0492053463       -1.2080989690
HM10        0.3087479990        2.5341286547        0.4878016009
HM11       -0.3093177256        4.1211683436        0.0225546188
HM12       -2.1931983007        2.4966876908        0.3906499249
HM13       -2.1395148156        3.1226595892       -1.2505665442
HM14       -0.9395969778        1.0056385535       -1.9911211471
HM15       -2.8884120897       -0.5958915721       -1.6287565718
HM16       -3.6358998901        0.6010507826       -0.5798193605
HM17       -3.7998259466        2.2003538770       -2.5006116529
HM18       -2.9149758396        1.0632276136       -3.5360399720
HM19       -4.5294311231        0.6541865561       -2.9380292133
HM20        0.9680927376        0.4548912854       -0.6970320076
           43
Energy of minimum     67=      -85.2655368023 first found at step       62
C82         0.8889504344        3.4210736879       -1.5584506850
C81         0.2653515226        2.8915589579       -0.2477974859
C8          1.0009775902        1.6721656782        0.3655804641
C9          2.4784637290        1.9890534564        0.7124855555
C91         3.1413824226        0.8853966871        1.5611084993
O7          0.9440579852        0.5719531480       -0.5846586503
C6          0.5761265187       -0.7347672818       -0.0640609272
C7          1.3021223893       -1.7508972204       -0.9231592526
C2          0.7385860606       -2.8718066914       -1.4284350876
C1          1.5307428426       -3.8542859320       -2.2481901679
O1B         0.9911575242       -4.8502330299       -2.7036698774
O1A         2.7151140570       -3.6541492124       -2.4666725138
C3         -0.7236763447       -3.2040104138       -1.1651822197
C4         -1.3026018280       -2.4246994312        0.0359856591
N4         -2.7627647101       -2.6663735094        0.1220855802
HAB        -3.2120399919       -2.2664488580       -0.7055046087
HAA        -3.1310050627       -2.1137477847        0.9004702805
C5         -0.9680619862       -0.9142662840       -0.0995216147
N5         -1.6522494166       -0.1036462534        0.9337412936
HAD        -1.2654617396       -0.1115888187        1.8641158237
C10        -2.7265082316        0.6743529348        0.7192220344
C11        -3.1946650837        1.4493415480        1.9226092658
O10        -3.2751150670        0.7411690059       -0.3659560875
HM1        -1.3061094060       -2.9739874852       -2.0611940916
HM2        -0.8486561748       -4.2722700539       -0.9711968097
HM3        -4.0673151251        2.0546891708        1.6700255048
HM4        -2.3999361911        2.1096532888        2.2759577781
HM5        -3.4636857406        0.7647665549        2.7295306556
HM6        -0.8297736586       -2.7975179235        0.9521305845
HM7         2.3505904792       -1.5254705603       -1.1092345478
HM8        -1.3040710225       -0.5871827179       -1.0886528289
HM9         0.9369897590        2.6356412440       -2.3158460897
HM10        1.8964003583        3.8063949284       -1.3892771077
HM11        0.2820707663        4.2372332623       -1.9572307494
HM12        0.2418370898        3.6999231192        0.4869706169
HM13       -0.7735942659        2.6155430917       -0.4404374456
HM14        0.4772536838        1.3962145490        1.2852575949
HM15        3.0599759799        2.1318306127       -0.2011953411
HM16        2.5193774294        2.9267425976        1.2721654684
HM17        2.5678098676        0.7011056938        2.4724998962
HM18        3.2163881345       -0.0479448802        0.9996992593
HM19        4.1515810937        1.1865839893        1.8486292006
HM20        0.9339833289       -0.8370928646        0.9652531743
           43
Energy of minimum     68=      -85.2355649911 first found at step      611
C82         1.0544951059        1.2347643622       -2.8623457856
C81         0.0100072488        1.9445760277       -1.9726765542
C8          0.4404106900        2.1010341419       -0.4854533895
C9          1.7621523300        2.8851431037       -0.2862335658
C91         1.6936913995        4.3312533516       -0.8185200672
O7          0.6249010179        0.7902605167        0.1157865891
C6         -0.5756708032        0.0956751937        0.5513737171
C7         -0.9443691241        0.5954470977        1.9359725969
C2         -1.3369727654       -0.2060947753        2.9524945210
C1         -1.7232917363        0.3529856697        4.2952874541
O1B        -1.6958665375        1.5585872093        4.4875536822
O1A        -2.0592024951       -0.3968421803        5.1977797731
C3         -1.4273095495       -1.7172247995        2.7780314745
C4         -1.4391126169       -2.1537204490        1.2948536211
N4         -1.3279159884       -3.6321212899        1.2167977345
HAB        -2.0517672869       -4.0639180756        1.7972530136
HAA        -0.4382890340       -3.9275310615        1.6274523705
C5         -0.2995132495       -1.4287754747        0.5263782252
N5         -0.1418150114       -1.9231535666       -0.8595197775
HAD        -0.8449214284       -1.6606947781       -1.5292959261
C10         0.8491953392       -2.7219859474       -1.2872910349
C11         0.7695533636       -3.1018540382       -2.7437950280
O10         1.7449736324       -3.1031550174       -0.5534478989
HM1        -0.5759870567       -2.1803637950        3.2840738242
HM2        -2.3300159708       -2.1047546314        3.2573776710
HM3         0.8025288492       -2.2061213180       -3.3668846799
HM4        -0.1643952451       -3.6309105864       -2.9439438104
HM5         1.6050027016       -3.7495282383       -3.0168117464
HM6        -2.3954724123       -1.8497983931        0.8532071580
HM7        -0.8900764480        1.6732481067        2.0737788664
HM8         0.6323805910       -1.5982585022        1.0748109634
HM9         1.3165130197        0.2559890167       -2.4557367730
HM10        1.9651331428        1.8301843714       -2.9524742724
HM11        0.6515823180        1.0872103448       -3.8670044061
HM12       -0.2078719950        2.9281443656       -2.3938848848
HM13       -0.9268100180        1.3863018178       -2.0218108003
HM14       -0.3513251248        2.6287051214        0.0552446633
HM15        1.9843619777        2.9249105346        0.7829825600
HM16        2.5931333745        2.3587112450       -0.7607045693
HM17        1.5940235804        4.3479492876       -1.9057450987
HM18        0.8459824435        4.8633688180       -0.3806791688
HM19        2.6071565785        4.8714589862       -0.5582086819
HM20       -1.3992068071        0.3108982279       -0.1360225591
           43
Energy of minimum     69=      -85.2087199476 first found at step      227
C82        -1.5850094664        0.4093141676        3.4885731443
C81        -0.6992111801        1.1292739455        2.4476494121
C8         -1.1781366614        0.9604203777        0.9801238053
C9         -2.5777709921        1.5875412615        0.7650134216
C91        -2.9499157698        1.6711236329       -0.7292884382
O7         -1.2578866055       -0.4473072825        0.5909446368
C6         -0.0613877468       -1.1995877924        0.2115248796
C7          0.7577334429       -1.5735982080        1.4295119328
C2          2.1083899708       -1.6490764088        1.4323311159
C1          2.8734830072       -2.0698618721        2.6578361557
O1B         4.0932564845       -2.1149789799        2.6339456604
O1A         2.2763437456       -2.3632300618        3.6813150909
C3          2.9197547444       -1.3357556451        0.1795229576
C4          2.0659977350       -1.3301192693       -1.1108273372
N4          2.8771406039       -0.8160541114       -2.2398102708
HAB         3.1003772149        0.1669474566       -2.0647095767
HAA         2.2850693053       -0.7943302599       -3.0740484621
C5          0.7819213181       -0.4886495698       -0.8820928192
N5         -0.0006628547       -0.2784003948       -2.1200043814
HAD        -0.6356855013       -1.0096630801       -2.3982223483
C10         0.0136298824        0.8423620657       -2.8599923661
C11        -0.9202928236        0.8339077252       -4.0416729850
O10         0.7333158919        1.7870904968       -2.5904670919
HM1         3.3924862544       -0.3578214704        0.3028530670
HM2         3.7262087528       -2.0622607637        0.0518821710
HM3        -1.9493807793        0.6969265247       -3.7042666877
HM4        -0.6640583800        0.0156297833       -4.7176669194
HM5        -0.8534419295        1.7761560932       -4.5891915619
HM6         1.7658202760       -2.3605762797       -1.3344142299
HM7         0.1843829348       -1.8163699474        2.3211462655
HM8         1.1061951235        0.4794916741       -0.4922564380
HM9        -2.5850156043        0.8461975436        3.5227831400
HM10       -1.1443367141        0.5048244370        4.4833006924
HM11       -1.6797045823       -0.6540377282        3.2595390307
HM12       -0.6738169598        2.1946959279        2.6886373457
HM13        0.3296563331        0.7796063993        2.5414939752
HM14       -0.4821190319        1.4905782315        0.3268651463
HM15       -3.3388002380        1.0059017175        1.2903175918
HM16       -2.5919549693        2.5965138246        1.1843947798
HM17       -2.2201245518        2.2740414973       -1.2742528975
HM18       -2.9863876481        0.6767430467       -1.1796465799
HM19       -3.9321755913        2.1343442985       -0.8490702631
HM20       -0.4238864405       -2.1379530035       -0.2196037638
           43
Energy of minimum     70=      -85.1756365983 first found at step      883
C82        -1.4609647567       -2.6344572931        2.0472792024
C81        -1.6546985014       -2.7788424809        0.5232806162
C8         -1.1014507379       -1.5594171140       -0.2571250719
C9         -1.3290591533       -1.6885663068       -1.7882162165
C91        -2.8212215769       -1.7105239830       -2.1799160598
O7          0.3246069119       -1.4688152828        0.0311729460
C6          1.1012442146       -0.3143498770       -0.4081122434
C7          2.5394837442       -0.6897713391       -0.1035977243
C2          3.4049049165        0.0627712520        0.6116394175
C1          4.8252050097       -0.3749043397        0.8504249444
O1B         5.2249295446       -1.4331819543        0.3903039518
O1A         5.5800702905        0.3197829497        1.5116521719
C3          2.9829610556        1.4129913858        1.1657672972
C4          1.8092901282        2.0164467583        0.3677136742
N4          1.4002625698        3.2961287483        0.9968672093
HAB         0.6232852238        3.6909056040        0.4618394917
HAA         2.1594770543        3.9783919067        0.9165625287
C5          0.6328159070        1.0034868396        0.2856745560
N5         -0.5285161066        1.6074690053       -0.4103532653
HAD        -0.4553247879        1.7396861920       -1.4063649480
C10        -1.6723507418        1.9970660904        0.1786370892
C11        -2.6969094274        2.5768932240       -0.7612834284
O10        -1.8664513724        1.8791459431        1.3752314206
HM1         2.6917962681        1.2985696688        2.2131653423
HM2         3.8147664027        2.1211368348        1.1412548373
HM3        -3.6004193973        2.8555826982       -0.2156203234
HM4        -2.9615733523        1.8447142003       -1.5269579651
HM5        -2.2956098511        3.4653730247       -1.2528807043
HM6         2.1524317885        2.2196731485       -0.6536478678
HM7         2.8521620760       -1.6485777682       -0.5131612915
HM8         0.3496307180        0.7472325554        1.3111701677
HM9        -0.4009638482       -2.6113147072        2.3096575356
HM10       -1.9193735545       -3.4791951950        2.5661579600
HM11       -1.9284911153       -1.7155650140        2.4093495807
HM12       -1.1672157449       -3.6933613638        0.1766231662
HM13       -2.7236935869       -2.8878990317        0.3332808049
HM14       -1.6064340330       -0.6673988317        0.1148820720
HM15       -0.8745848888       -0.8400815873       -2.3015366343
HM16       -0.8403708573       -2.5922326009       -2.1608542436
HM17       -3.3100577913       -2.6243550085       -1.8369529222
HM18       -3.3441272546       -0.8510543089       -1.7540490276
HM19       -2.9243617177       -1.6676060401       -3.2669461689
HM20        1.0149003314       -0.2019766017       -1.4920118774
           43
Energy of minimum     71=      -85.1547773197 first found at step      849
C82        -0.6566328594       -3.0123561894       -0.9479368397
C81        -1.3391008251       -2.7333756746        0.4057145381
C8         -0.5052406760       -1.7916629790        1.3115834682
C9         -1.0471774789       -1.7384170700        2.7632048509
C91        -2.5056382828       -1.2420138330        2.8820922536
O7         -0.5224953016       -0.4442425162        0.7644004388
C6          0.7021332554        0.0184119930        0.1330212000
C7          1.6948489941        0.4025057840        1.2164400056
C2          2.4763465047        1.5056759165        1.1732524207
C1          3.4682723052        1.8148190101        2.2620128184
O1B         3.5905055028        1.0577656964        3.2123256479
O1A         4.1494025695        2.8257647549        2.2014011088
C3          2.4044373862        2.4788877269        0.0034210676
C4          1.7016198155        1.8783487261       -1.2354256858
N4          1.4975520028        2.9427071342       -2.2500644496
HAB         0.9151610181        3.6845366501       -1.8536425748
HAA         2.3931489884        3.3905175990       -2.4650510683
C5          0.3678870342        1.2059277481       -0.8093673731
N5         -0.4298888638        0.7698222831       -1.9764573818
HAD         0.0702184473        0.3715691263       -2.7533829635
C10        -1.7642316957        0.8731802359       -2.0880111016
C11        -2.3354235956        0.3036715936       -3.3611657579
O10        -2.4551783770        1.3969461715       -1.2317263332
HM1         1.8673296278        3.3753596664        0.3245908256
HM2         3.4073649016        2.7985011774       -0.2911955295
HM3        -3.4195629551        0.4295356512       -3.3822541921
HM4        -2.1047327992       -0.7611470729       -3.4333857019
HM5        -1.9062053162        0.8125849251       -4.2265621658
HM6         2.3524658207        1.1060516677       -1.6621380128
HM7         1.7643306638       -0.2870748255        2.0548151500
HM8        -0.2075639108        1.9398018220       -0.2362946846
HM9        -1.2430886787       -3.7322889720       -1.5230251585
HM10        0.3430483087       -3.4266033582       -0.7982013766
HM11       -0.5714987579       -2.0988429025       -1.5387496700
HM12       -2.3270279266       -2.3035475891        0.2253032727
HM13       -1.4880695161       -3.6858089235        0.9201226739
HM14        0.5247347860       -2.1609839703        1.3530465313
HM15       -0.9740133109       -2.7333974286        3.2087064827
HM16       -0.4019635176       -1.0835969642        3.3537598245
HM17       -2.6212216028       -0.2516833609        2.4360941933
HM18       -3.1979680973       -1.9294130401        2.3919388568
HM19       -2.7926124263       -1.1732624801        3.9340428469
HM20        1.1257288388       -0.7931739093       -0.4672524555
           43
Energy of minimum     72=      -85.1218628450 first found at step      750
C82        -1.5741818736        2.0480546190       -1.9322655798
C81        -1.4452930594        0.6765613944       -2.6238984893
C8         -0.1193778176       -0.0460334709       -2.2738446960
C9          0.1359623286       -1.2793378738       -3.1780002153
C91        -0.9600995907       -2.3657149796       -3.0999615437
O7         -0.1545909998       -0.4900246853       -0.8893289568
C6          0.6674931604        0.2500718332        0.0534490155
C7          2.1135761388       -0.1825281690       -0.1154397025
C2          2.9614310949       -0.4144234291        0.9126475728
C1          4.3957274750       -0.8070149512        0.6812345431
O1B         4.8250593330       -0.9158818528       -0.4567404499
O1A         5.1325382019       -1.0232590336        1.6299030255
C3          2.5075423260       -0.2657946366        2.3592715718
C4          1.1935468988        0.5365114447        2.4972760208
N4          0.7191389823        0.4667377880        3.9022875247
HAB         0.5510988518       -0.5096631700        4.1573350054
HAA         1.4606646734        0.7850794057        4.5328832124
C5          0.1398458839       -0.0024399466        1.4914333690
N5         -1.1901335749        0.6106453736        1.7013029214
HAD        -1.2147323703        1.5906592363        1.9278526280
C10        -2.3645964260       -0.0364473544        1.6261859040
C11        -3.5774863352        0.8343871368        1.8318775026
O10        -2.4406329951       -1.2350330303        1.4197525152
HM1         2.3696815509       -1.2618394458        2.7884397739
HM2         3.2784388858        0.2316793330        2.9534542293
HM3        -3.5401154914        1.3010946900        2.8180578716
HM4        -4.4919322087        0.2423068116        1.7584414980
HM5        -3.6076754951        1.6210094426        1.0752527977
HM6         1.3997331926        1.5839923826        2.2474867370
HM7         2.4556376646       -0.2847995949       -1.1429394660
HM8         0.0624302741       -1.0845098872        1.6372194454
HM9        -2.4870141908        2.5500179229       -2.2604896593
HM10       -0.7236484868        2.6870870566       -2.1804899231
HM11       -1.6225972407        1.9362957915       -0.8478391548
HM12       -2.2979308125        0.0539837938       -2.3433515996
HM13       -1.4956883472        0.8287705775       -3.7047450318
HM14        0.7124242398        0.6513755778       -2.4176926437
HM15        0.2337412970       -0.9483470479       -4.2146751452
HM16        1.0945659707       -1.7241901038       -2.9004563789
HM17       -1.0951784149       -2.7145947052       -2.0737721603
HM18       -1.9158982322       -1.9897157991       -3.4703155516
HM19       -0.6792775504       -3.2249200316       -3.7136281239
HM20        0.5878030889        1.3201915871       -0.1631702136
           43
Energy of minimum     73=      -85.0965512952 first found at step     2197
C82        -1.5634388209        0.9255356307       -2.8686542108
C81        -0.4346233238       -0.1276028344       -2.8142786110
C8         -0.6592585326       -1.2480305720       -1.7619659360
C9         -1.9453737912       -2.0638764638       -2.0392370533
C91        -2.0364535622       -3.3146687905       -1.1417224944
O7         -0.7559015596       -0.6700931801       -0.4305379236
C6          0.4999205684       -0.3438974945        0.2242512869
C7          1.0417630676       -1.6015954567        0.8791374330
C2          1.5498312514       -1.6517610409        2.1322387047
C1          2.1051175150       -2.9271836847        2.7069988610
O1B         2.5416267582       -2.9482717161        3.8469902643
O1A         2.1153824220       -3.9471921273        2.0362513560
C3          1.6038475362       -0.4120923180        3.0173671750
C4          1.4408357644        0.9054503630        2.2261011214
N4          1.2757310325        2.0345973816        3.1740322653
HAB         0.4152150796        1.9020017657        3.7109226571
HAA         1.1133166138        2.8861599544        2.6299401523
C5          0.2388302906        0.7894548944        1.2500969912
N5         -0.1539801232        2.0725005970        0.6177148287
HAD        -1.0992545415        2.3851274536        0.7726397270
C10         0.6020022893        2.8165902338       -0.2094808904
C11        -0.0840656421        4.0415393593       -0.7563716564
O10         1.7518601577        2.5288983226       -0.4877931992
HM1         0.8123519280       -0.4829071806        3.7680245770
HM2         2.5509093917       -0.3668279611        3.5608516713
HM3        -0.3714773993        4.7051623318        0.0613713059
HM4        -0.9835982747        3.7573664003       -1.3057939256
HM5         0.5812195288        4.5840868254       -1.4310227025
HM6         2.3498527216        1.0662790108        1.6359345806
HM7         1.0157541626       -2.4960609540        0.2607610848
HM8        -0.6175176763        0.4651613719        1.8504255985
HM9        -1.7261310528        1.3784597021       -1.8888957322
HM10       -2.5013948182        0.4799935071       -3.2059484613
HM11       -1.2998512431        1.7206231508       -3.5699297597
HM12       -0.3300016630       -0.5845834551       -3.8012399349
HM13        0.5107543831        0.3789048619       -2.6099534201
HM14        0.1945604595       -1.9317439701       -1.7972926805
HM15       -2.8306721091       -1.4442623479       -1.8789582962
HM16       -1.9538267309       -2.3811224400       -3.0848610024
HM17       -1.1702767311       -3.9626356961       -1.2947659322
HM18       -2.0791550085       -3.0358785388       -0.0864381383
HM19       -2.9369732341       -3.8861058883       -1.3789597966
HM20        1.2225429164        0.0045009930       -0.5179498845
           43
Energy of minimum     74=      -85.0694431418 first found at step       45
C82         2.6098757102        0.8485908257       -1.9479271273
C81         2.0219995325        2.1558299496       -1.3825365705
C8          0.6298695269        1.9568969873       -0.7338768256
C9          0.0548726499        3.3431312830       -0.3333941888
C91        -1.4093827190        3.3090858870        0.1485960241
O7          0.8060629978        1.1196595828        0.4447617703
C6         -0.2961143060        0.2545549156        0.8376623264
C7         -0.3099606236        0.2633371084        2.3534221164
C2         -0.4531397168       -0.8364709001        3.1263065157
C1         -0.4889481773       -0.7489262788        4.6282418953
O1B        -0.6062813334       -1.7616031161        5.2999919182
O1A        -0.3937003676        0.3358555612        5.1802370581
C3         -0.6133997464       -2.2155918809        2.5041831469
C4         -1.0390599564       -2.1522149487        1.0206159644
N4         -1.0223053814       -3.5222705131        0.4520097225
HAB        -1.3042608519       -3.4744168971       -0.5296289592
HAA        -1.7345829672       -4.0960696146        0.9120705867
C5         -0.1196242430       -1.1705161146        0.2392903686
N5         -0.4025149067       -1.1944865013       -1.2144245132
HAD        -1.2107145011       -0.6890768211       -1.5390853743
C10         0.3275763686       -1.8460617030       -2.1358800338
C11        -0.1810915025       -1.7128800130       -3.5481688948
O10         1.3221178576       -2.4893626989       -1.8515481587
HM1         0.3352868023       -2.7528254359        2.5844595339
HM2        -1.3569435246       -2.8008399302        3.0509118167
HM3        -0.2042626066       -0.6611939268       -3.8402996843
HM4        -1.1925536596       -2.1172581908       -3.6235491080
HM5         0.4659159358       -2.2544077801       -4.2411864837
HM6        -2.0635368909       -1.7647292865        0.9696942252
HM7        -0.2047343953        1.2478218570        2.8054822019
HM8         0.9182033402       -1.4735048712        0.4091684476
HM9         1.9630292820        0.4463500214       -2.7296949881
HM10        2.7247361044        0.0976868102       -1.1633234555
HM11        3.5933850235        1.0360610139       -2.3849284470
HM12        2.7124638439        2.5760118075       -0.6467554691
HM13        1.9437768568        2.8776461837       -2.1992206891
HM14       -0.0343713888        1.4686277418       -1.4530689131
HM15        0.6798264185        3.7940450902        0.4416403651
HM16        0.1025754469        4.0046767508       -1.2020388330
HM17       -2.0435126392        2.7878644548       -0.5723604769
HM18       -1.4931301336        2.8152984026        1.1181181264
HM19       -1.7898767121        4.3270082118        0.2627934817
HM20       -1.2435704468        0.6686669767        0.4832395818
           43
Energy of minimum     75=      -85.0487717633 first found at step      637
C82         3.3476533733        1.4172677565       -1.3059974346
C81         2.0364903984        0.7408237127       -1.7649209175
C8          0.7626954167        1.2658210425       -1.0478389072
C9          0.5190808761        2.7649990899       -1.3511729844
C91        -0.8723387728        3.2317812892       -0.8773103978
O7          0.8513967029        1.1152951109        0.4043415536
C6          0.5915746471       -0.1712573588        1.0514366188
C7          1.7549586678       -1.1228665763        0.8634722628
C2          1.6162833274       -2.4619914243        0.7311549337
C1          2.8082407181       -3.3698358858        0.5919920783
O1B         2.6504664144       -4.5731932774        0.4596515696
O1A         3.9368593240       -2.9049347665        0.6069212195
C3          0.2398297850       -3.1187392148        0.7438711329
C4         -0.8684345877       -2.1946867620        1.3023418672
N4         -2.1934665471       -2.8231291682        1.0870939282
HAB        -2.9103305405       -2.1859389968        1.4422807354
HAA        -2.3763250042       -2.8705186848        0.0810964545
C5         -0.7672126379       -0.7973731988        0.6338230075
N5         -1.9012919295        0.0903698695        0.9725002597
HAD        -1.8455773183        0.6066695060        1.8360169455
C10        -2.9633650028        0.3189722592        0.1828142999
C11        -3.9558510890        1.3129624415        0.7266135991
O10        -3.1062447426       -0.2423532943       -0.8885015663
HM1        -0.0177154799       -3.4139955666       -0.2766858377
HM2         0.2555139072       -4.0330308671        1.3424616252
HM3        -4.3629182292        0.9544007304        1.6739439884
HM4        -4.7782384151        1.4576446053        0.0230954525
HM5        -3.4688580165        2.2747666415        0.8991907661
HM6        -0.7090302488       -2.0719916535        2.3800533266
HM7         2.7403121090       -0.6626201702        0.8713169207
HM8        -0.7520622561       -0.9655597306       -0.4459514560
HM9         4.2006784900        0.9549227297       -1.8074329903
HM10        3.4910224602        1.3135014796       -0.2288574698
HM11        3.3505305317        2.4805814739       -1.5545294965
HM12        1.9223417178        0.8962339084       -2.8404308555
HM13        2.1173640516       -0.3383392624       -1.6288775948
HM14       -0.0992339473        0.7144479016       -1.4291155602
HM15        1.2840965957        3.3787282606       -0.8700601641
HM16        0.5949847255        2.9346804319       -2.4280164816
HM17       -1.6593068118        2.6530612989       -1.3660523895
HM18       -0.9760904718        3.1175901691        0.2039487191
HM19       -1.0216894027        4.2858133762       -1.1232086546
HM20        0.5332072115        0.0410207742        2.1235278933
           43
Energy of minimum     76=      -85.0174779317 first found at step       18
C82        -1.0077096121       -2.7666073975       -1.0669266446
C81        -1.6486368055       -2.5265240985        0.3145069052
C8         -0.7880908468       -1.6102956182        1.2225770748
C9         -1.3947423303       -1.4503742392        2.6381857713
C91        -1.2945643380       -2.7365259331        3.4840992509
O7         -0.7241312719       -0.2812792730        0.6356361228
C6          0.5574559503        0.1249269526        0.0811609938
C7          1.5049334870        0.4571812716        1.2217089243
C2          2.3435561628        1.5184802350        1.2278467259
C1          3.2854530725        1.7745983504        2.3733878008
O1B         4.0206696363        2.7490870883        2.3568703899
O1A         3.3129117951        1.0110482858        3.3254922494
C3          2.3898504750        2.4954698494        0.0599931272
C4          1.7271312289        1.9348711984       -1.2188322963
N4          1.6359106904        3.0105883402       -2.2379537208
HAB         1.0720326139        3.7812377809       -1.8708055671
HAA         2.5643302145        3.4111367660       -2.4006408817
C5          0.3385506178        1.3320739008       -0.8708039090
N5         -0.4162768325        0.9474166500       -2.0836718938
HAD         0.1038290500        0.5286548693       -2.8363740085
C10        -1.7330615609        1.1334554859       -2.2710092362
C11        -2.2616722297        0.6170100644       -3.5845635102
O10        -2.4404045483        1.6867255279       -1.4472571940
HM1         1.8839614949        3.4189676609        0.3541668363
HM2         3.4234175384        2.7613825854       -0.1763189978
HM3        -3.3335894889        0.8071243392       -3.6651760399
HM4        -2.0896203321       -0.4583797464       -3.6628837010
HM5        -1.7541210486        1.1122353134       -4.4147897184
HM6         2.3596812345        1.1304864899       -1.6124959716
HM7         1.4914240886       -0.2348576545        2.0608002011
HM8        -0.2271211540        2.0933227783       -0.3243044876
HM9        -1.6130890157       -3.4679054353       -1.6454265527
HM10       -0.0054501000       -3.1875090315       -0.9586625735
HM11       -0.9364602075       -1.8367598245       -1.6330848830
HM12       -2.6419124870       -2.0896590090        0.1848058302
HM13       -1.7840075805       -3.4977632143        0.7933390422
HM14        0.2202918174       -2.0276295436        1.3122501188
HM15       -0.8623580138       -0.6547406878        3.1652785135
HM16       -2.4405372567       -1.1421103794        2.5625548384
HM17       -1.9077056451       -3.5369339577        3.0657911493
HM18       -0.2594570135       -3.0814669285        3.5391665040
HM19       -1.6442677802       -2.5450895343        4.5015023214
HM20        0.9735963316       -0.7050702777       -0.4991389036
           43
Energy of minimum     77=      -84.9871703545 first found at step      394
C82         3.1678145178        1.3679572997        1.1721134314
C81         2.4943938227        1.5953447758       -0.1969165592
C8          2.1200042800        0.2591519089       -0.8957321225
C9          2.5372776181        0.2822148088       -2.3859003084
C91         2.2698941285       -1.0648799218       -3.0888009102
O7          0.6779775681        0.0580222806       -0.8495167689
C6          0.0770609521       -0.3370576611        0.4138719910
C7          0.3553688438       -1.8089991409        0.6645545715
C2         -0.5630125270       -2.6857939020        1.1318651087
C1         -0.2168375398       -4.1264088003        1.3959195415
O1B        -1.0703967769       -4.8981325990        1.8037835513
O1A         0.9183791533       -4.5290805691        1.1971656545
C3         -1.9910852326       -2.2490665123        1.4348156060
C4         -2.1399993410       -0.7148797376        1.5452196405
N4         -3.5771320498       -0.3616278090        1.6301390454
HAB        -4.0298979046       -0.6134968679        0.7478517329
HAA        -3.6524722562        0.6580878686        1.6684774414
C5         -1.4398600054       -0.0313361994        0.3401579824
N5         -1.6921974402        1.4266905214        0.2853641022
HAD        -1.1254486753        2.0194512158        0.8701135927
C10        -2.5683195117        2.0285700473       -0.5360347517
C11        -2.5890696485        3.5321571417       -0.4469330103
O10        -3.2918370607        1.3991737828       -1.2873455849
HM1        -2.6476700442       -2.6192758205        0.6430569575
HM2        -2.3405505148       -2.6944435753        2.3696884093
HM3        -1.6083784037        3.9347103238       -0.7078005674
HM4        -2.8352738730        3.8459566214        0.5695216388
HM5        -3.3317334276        3.9461238799       -1.1319052115
HM6        -1.6413048250       -0.3824695658        2.4632390199
HM7         1.3715425984       -2.1381401104        0.4619407713
HM8        -1.8195655807       -0.4936090463       -0.5767878167
HM9         3.4159571679        2.3268193677        1.6326368499
HM10        4.0925722542        0.7987716566        1.0521118618
HM11        2.5154195602        0.8218713641        1.8554327513
HM12        1.6052954323        2.2186568761       -0.0729449718
HM13        3.1882901162        2.1655961865       -0.8194546897
HM14        2.6317411510       -0.5758993237       -0.4087607333
HM15        2.0056394190        1.0806523615       -2.9099152770
HM16        3.6054122952        0.5024982827       -2.4566043150
HM17        2.7964145494       -1.8756717454       -2.5799201469
HM18        1.2026450416       -1.2970854247       -3.0999305746
HM19        2.6189163755       -1.0272274637       -4.1234617576
HM20        0.5040257937        0.2561032246        1.2256248245
           43
Energy of minimum     78=      -84.9581749044 first found at step       37
C82         2.4893792567       -2.2091374268        0.2142749727
C81         1.8442033626       -2.4210869051       -1.1691042433
C8          0.4693586338       -1.7211769521       -1.3025235223
C9         -0.1730576065       -2.1130454272       -2.6607367498
C91        -1.6254892321       -1.6262976535       -2.8369340034
O7          0.6953436603       -0.2836628298       -1.2467339124
C6         -0.3473946539        0.5464285593       -0.6625245240
C7         -0.3541266385        1.8305939430       -1.4683843109
C2         -0.4229469273        3.0710395482       -0.9346939608
C1         -0.4546173978        4.3034563752       -1.7978080948
O1B        -0.4239963021        4.2003823560       -3.0142375884
O1A        -0.5031273523        5.4099555675       -1.2850430222
C3         -0.5020578047        3.2729469484        0.5716359532
C4         -0.9429025473        1.9934140619        1.3163207514
N4         -0.8646564300        2.2302629111        2.7797948560
HAB        -1.3675433388        3.0885043846        3.0192908634
HAA         0.1094780343        2.3997299698        3.0436941194
C5         -0.0758934168        0.7871817692        0.8500399815
N5         -0.3324871121       -0.4229314677        1.6617612703
HAD        -1.1532109966       -0.9633082434        1.4461976619
C10         0.3999111370       -0.8078515288        2.7204469430
C11        -0.1087949564       -2.0402802693        3.4235051644
O10         1.4027851685       -0.2122373720        3.0749351039
HM1         0.4778816123        3.5883506521        0.9397442474
HM2        -1.2061839753        4.0728278043        0.8148907101
HM3        -1.1076272050       -1.8558586638        3.8235213349
HM4         0.5541076435       -2.3132474980        4.2470213936
HM5        -0.1628058416       -2.8777180410        2.7249396162
HM6        -1.9866680191        1.7852885223        1.0530070315
HM7        -0.3078421940        1.6935911327       -2.5471604696
HM8         0.9773421625        1.0669148685        0.9521706635
HM9         1.8541377458       -2.6237901766        0.9991782764
HM10        2.6500654725       -1.1476634328        0.4146349044
HM11        3.4573685610       -2.7134606859        0.2596437991
HM12        2.5199146986       -2.0531441265       -1.9454268605
HM13        1.7232820462       -3.4951028179       -1.3302474667
HM14       -0.1760835518       -2.0391688182       -0.4785001372
HM15        0.4377382634       -1.7326844400       -3.4834282442
HM16       -0.1744021192       -3.2026787941       -2.7452429901
HM17       -2.2421189755       -1.9294795338       -1.9875713229
HM18       -1.6669772875       -0.5402974463       -2.9360351812
HM19       -2.0581572168       -2.0578033388       -3.7427870729
HM20       -1.3211283600        0.0622445153       -0.7755259402
           43
Energy of minimum     79=      -84.9337782343 first found at step      314
C82         3.0341124100       -1.1494508698       -0.7779352619
C81         3.1527584510       -0.5412591072        0.6330641145
C8          1.9344817869        0.3364820302        1.0115664046
C9          2.2073920139        1.0271754295        2.3752140173
C91         1.1473822177        2.0719035260        2.7782661781
O7          0.7723674944       -0.5354798275        1.1104896656
C6         -0.5264316958        0.0201395496        0.7611423990
C7         -1.5178562709       -0.6124762422        1.7178607341
C2         -2.7217586669       -1.1108467466        1.3566994520
C1         -3.6695180872       -1.6995683616        2.3666378127
O1B        -4.7442347665       -2.1541165965        2.0077390728
O1A        -3.3626740520       -1.7313296982        3.5478552545
C3         -3.1843212619       -1.0695969792       -0.0925635957
C4         -2.3915248464       -0.0471094995       -0.9364919844
N4         -2.8054031126       -0.1635724721       -2.3574777690
HAB        -2.5557589804       -1.0917644331       -2.7075111488
HAA        -3.8251502323       -0.1088519890       -2.4272907102
C5         -0.8637459248       -0.2651614366       -0.7302947538
N5         -0.0586489216        0.5661226412       -1.6522506004
HAD         0.0693682528        1.5351925025       -1.4144378485
C10         0.4400272267        0.1478475370       -2.8277332899
C11         1.1655254178        1.2076372018       -3.6167407516
O10         0.3239356515       -1.0014330922       -3.2173950119
HM1        -3.0728032067       -2.0655391921       -0.5295281015
HM2        -4.2455373974       -0.8139360462       -0.1492091982
HM3         1.9971012544        1.6066634120       -3.0327417400
HM4         0.4856239853        2.0269496732       -3.8589297305
HM5         1.5584551163        0.7912459464       -4.5463840228
HM6        -2.6431784297        0.9594764792       -0.5821278754
HM7        -1.1979112679       -0.6364159596        2.7579334063
HM8        -0.6434234410       -1.3205533124       -0.9188735970
HM9         2.9763027038       -0.3603968601       -1.5299795694
HM10        2.1469646516       -1.7809957274       -0.8604686535
HM11        3.9099935396       -1.7641264383       -0.9979641854
HM12        3.2684608339       -1.3437274882        1.3660745823
HM13        4.0626022409        0.0627773618        0.6708152671
HM14        1.7813213656        1.0911699172        0.2345694336
HM15        2.2897507877        0.2737547184        3.1627050842
HM16        3.1731263891        1.5360745616        2.3220740833
HM17        0.9902388959        2.7952422269        1.9747392341
HM18        0.1956384734        1.5944168417        3.0172740411
HM19        1.4765009936        2.6163255079        3.6666661501
HM20       -0.5295515919        1.1011113111        0.9249430125
           43
Energy of minimum     80=      -84.9060352604 first found at step     1261
C82        -1.4342228987       -0.0991708624       -3.6836795909
C81        -1.9198507290        0.3221230383       -2.2790000547
C8         -0.8098306324        0.9085480613       -1.3659446292
C9         -0.0712559574        2.1370725077       -1.9644182002
C91        -1.0166672990        3.3179659246       -2.2658870199
O7          0.1562703294       -0.1447913688       -1.0974267337
C6          0.9403557639       -0.0210247630        0.1208450455
C7          2.3472580565       -0.4666031594       -0.2214425777
C2          3.1039929636       -1.2740325654        0.5559063775
C1          4.5100073143       -1.6492906676        0.1724697578
O1B         4.9997108985       -1.2165335229       -0.8591639608
O1A         5.1635789849       -2.3914844987        0.8878010320
C3          2.5723526729       -1.8247363896        1.8724790793
C4          1.3390539598       -1.0533803282        2.3949303933
N4          0.7639675749       -1.7787682636        3.5544393030
HAB         1.4300411314       -1.7708133075        4.3317217363
HAA        -0.0546986285       -1.2661428977        3.8929674816
C5          0.3014317632       -0.8690554892        1.2555496575
N5         -0.9615967364       -0.2735170513        1.7494745423
HAD        -0.9042073627        0.6147420192        2.2209048303
C10        -2.1863205373       -0.7947024460        1.5627999471
C11        -3.3161263532        0.0462218785        2.0980400803
O10        -2.3663480189       -1.8624790391        1.0047580374
HM1         2.3053577826       -2.8753935297        1.7311939487
HM2         3.3468317206       -1.7961678326        2.6429815514
HM3        -3.2019956544        0.1849951738        3.1748285350
HM4        -4.2771081205       -0.4354866254        1.9064059677
HM5        -3.3139228158        1.0269676778        1.6179851407
HM6         1.6624113651       -0.0583591879        2.7229091223
HM7         2.7376898304       -0.0720294294       -1.1577645837
HM8         0.0942990424       -1.8617304214        0.8441959413
HM9        -2.2537231871       -0.5626378595       -4.2373393910
HM10       -0.6196247195       -0.8235161777       -3.6159197947
HM11       -1.0887744116        0.7625548080       -4.2584791371
HM12       -2.7303746439        1.0467383913       -2.3811021117
HM13       -2.3526739536       -0.5498768013       -1.7831172144
HM14       -1.2783581917        1.2067501322       -0.4239574271
HM15        0.6834096463        2.4849891788       -1.2560816823
HM16        0.4617087317        1.8529113517       -2.8743846877
HM17       -1.7195084384        3.0690376412       -3.0635753815
HM18       -1.5832635253        3.5946818502       -1.3737487397
HM19       -0.4402955861        4.1887175321       -2.5878411810
HM20        0.9810188691        1.0267073182        0.4346865907
           43
Energy of minimum     81=      -84.8838523170 first found at step     1543
C82         3.3856914330        2.0121313413       -0.3813307513
C81         2.1910166051        1.6034869485       -1.2714311529
C8          0.8292637022        1.5433096439       -0.5286822827
C9          0.4260525509        2.8671301951        0.1768392967
C91         0.3012378271        4.0539991461       -0.8003254060
O7          0.9011299218        0.4781860971        0.4590388091
C6         -0.3580780787       -0.1221899168        0.8692728338
C7         -0.2588021822       -0.3614054116        2.3619310443
C2         -0.6605566592       -1.4933766419        2.9832897739
C1         -0.5662140118       -1.6512667491        4.4769096683
O1B        -0.1259630886       -0.7415024518        5.1623748655
O1A        -0.9238584025       -2.6905243123        5.0077017522
C3         -1.2505323856       -2.6568632804        2.1974737565
C4         -1.7183360844       -2.2525197840        0.7808867393
N4         -2.0776987984       -3.4730971162        0.0176122115
HAB        -2.3820961118       -3.1997185403       -0.9201222807
HAA        -2.8915977011       -3.9223657664        0.4472101741
C5         -0.6130656089       -1.4288099563        0.0675602892
N5         -0.9550113812       -1.1542861374       -1.3471851483
HAD        -1.8247247480       -0.6813203706       -1.5324982177
C10        -0.1694180067       -1.4358848478       -2.4006738358
C11        -0.7172250909       -0.9888703128       -3.7311566620
O10         0.9004276390       -2.0072299339       -2.2866798685
HM1        -0.4958623801       -3.4435573542        2.1154747849
HM2        -2.1014604980       -3.0892116956        2.7297444893
HM3        -0.8505427061        0.0947009073       -3.7348478494
HM4        -1.6845215860       -1.4597549657       -3.9179071583
HM5        -0.0333160088       -1.2604083541       -4.5377952292
HM6        -2.6070675985       -1.6172153590        0.8744146775
HM7         0.1555696329        0.4679901647        2.9322164379
HM8         0.3064245660       -2.0208410845        0.1068974697
HM9         3.4791902084        1.3462186629        0.4793063024
HM10        3.2775299002        3.0369366037       -0.0207888196
HM11        4.3142262662        1.9563168525       -0.9541589071
HM12        2.1179139628        2.2939862474       -2.1142358756
HM13        2.3957855634        0.6200686004       -1.7010861274
HM14        0.0608479871        1.2909771613       -1.2646614136
HM15       -0.5399663600        2.7350753309        0.6684068250
HM16        1.1452148664        3.1127406778        0.9612589870
HM17        1.2696399848        4.3149220183       -1.2320352083
HM18       -0.3903145871        3.8137453215       -1.6112089825
HM19       -0.0794289530        4.9342215272       -0.2765537792
HM20       -1.1815035994        0.5760768947        0.6895437684
           43
Energy of minimum     82=      -84.8532539528 first found at step     2026
C82        -4.1207806905       -0.8427361520        0.3247208965
C81        -2.8207648674       -0.3377352897        0.9824556980
C8         -1.5468418402       -0.9547852729        0.3522168915
C9         -1.4420207448       -2.4993051136        0.5057191774
C91        -1.4501669014       -2.9924838788        1.9693187289
O7         -0.3993759037       -0.3156037771        0.9765155168
C6          0.8418046002       -0.3179041108        0.2191538717
C7          1.9559625842       -0.5848075970        1.2104224062
C2          3.1414048127        0.0663066996        1.2194731792
C1          4.2210195149       -0.2720385319        2.2117516606
O1B         5.2755548464        0.3430566090        2.2044738889
O1A         4.0426703900       -1.1590381223        3.0313886724
C3          3.4473288885        1.1617374894        0.2060264028
C4          2.4937529886        1.1389607119       -1.0105200739
N4          2.7303843555        2.3457414528       -1.8423770999
HAB         3.7205437680        2.4005377071       -2.0961879374
HAA         2.5489123975        3.1850222770       -1.2854996483
C5          1.0214563232        1.0344153566       -0.5257477650
N5          0.0599302712        1.1947713311       -1.6390667950
HAD         0.2326592013        0.6667731628       -2.4783079294
C10        -1.0075832961        2.0097505879       -1.6308483242
C11        -1.8473180930        1.9617081386       -2.8810780290
O10        -1.2732394030        2.7303384488       -0.6850893866
HM1         3.3741791143        2.1319486872        0.7046650360
HM2         4.4732869207        1.0698038849       -0.1597308055
HM3        -2.2393377173        0.9535262488       -3.0286931080
HM4        -1.2444910540        2.2320741428       -3.7504330937
HM5        -2.6863130187        2.6563392772       -2.8059276287
HM6         2.7191901425        0.2491210678       -1.6100169584
HM7         1.7483946232       -1.3712227374        1.9337679801
HM8         0.8599467157        1.8345149990        0.2033207660
HM9        -4.0948828824       -0.6793205676       -0.7551905064
HM10       -4.9796990577       -0.3043805438        0.7313896463
HM11       -4.2717584175       -1.9076153257        0.5143995517
HM12       -2.7754418600        0.7471424678        0.8629041569
HM13       -2.8530930640       -0.5335173493        2.0562149458
HM14       -1.5478733689       -0.7123298572       -0.7141504596
HM15       -2.2613189083       -2.9769883410       -0.0352685179
HM16       -0.5248681625       -2.8468728422        0.0259296091
HM17       -0.6515504001       -2.5212332201        2.5463733977
HM18       -2.4050865762       -2.7777467960        2.4528915479
HM19       -1.2965773612       -4.0737489442        2.0007606183
HM20        0.8320011304       -1.1321763775       -0.5121201800
           43
Energy of minimum     83=      -84.8249039065 first found at step       12
C82        -0.4496950442       -0.8862396027       -4.1340030986
C81        -0.6076790164       -0.4727372515       -2.6564231734
C8          0.1507187026       -1.4136137762       -1.6795136826
C9         -0.3005739457       -2.8971673022       -1.7441283722
C91        -1.8088265583       -3.1156310322       -1.4897893828
O7         -0.0482833922       -0.9510289513       -0.3157490962
C6          0.7782809333        0.1576680642        0.1323645322
C7          2.1226018191       -0.3885157700        0.5762949869
C2          2.7722646252        0.0124963961        1.6930832932
C1          4.1215507136       -0.5417059351        2.0633739455
O1B         4.6775389716       -0.1714168842        3.0852040757
O1A         4.6613766891       -1.3682304912        1.3451738925
C3          2.1749550042        1.0631285852        2.6216298235
C4          1.0276310619        1.8668101107        1.9667456252
N4          0.3722801791        2.7147049830        2.9941546456
HAB         1.0760754398        3.2823004677        3.4735990773
HAA        -0.0341043188        2.1167315264        3.7184944559
C5          0.0342913355        0.8919389129        1.2756378372
N5         -1.1817044809        1.5715312052        0.7757911510
HAD        -1.0902954627        2.1437971107       -0.0465256815
C10        -2.3927721451        1.5114546316        1.3530663092
C11        -3.4640658358        2.3113332879        0.6572472923
O10        -2.6064746931        0.8540934688        2.3573050979
HM1         1.7996473445        0.5646405746        3.5194029433
HM2         2.9446573431        1.7670763452        2.9485065651
HM3        -3.5931386647        1.9524815629       -0.3657034576
HM4        -3.1841757192        3.3662198021        0.6237501337
HM5        -4.4154969969        2.2173784455        1.1844773466
HM6         1.4579908934        2.5179981664        1.1968139458
HM7         2.5642872425       -1.1357588518       -0.0794899456
HM8        -0.2564377793        0.1352681500        2.0111333981
HM9        -0.9289552195       -1.8476632689       -4.3291273917
HM10        0.6067474830       -0.9607628682       -4.4020189914
HM11       -0.9154589215       -0.1419896163       -4.7842892395
HM12       -0.2229243949        0.5432022976       -2.5503643556
HM13       -1.6686529278       -0.4334836178       -2.4000746075
HM14        1.2195140012       -1.3785771616       -1.9116874977
HM15       -0.0351849941       -3.3208638376       -2.7149448606
HM16        0.2656278865       -3.4621653634       -0.9996322784
HM17       -2.1101176600       -2.6909019128       -0.5296246420
HM18       -2.4122667179       -2.6610115417       -2.2778764927
HM19       -2.0342409094       -4.1845032070       -1.4718360889
HM20        0.9334881291        0.8617141491       -0.6904480370
           43
Energy of minimum     84=      -84.8039324428 first found at step     1892
C82        -2.2835945858        0.7825869826        3.4618841865
C81        -0.9752369303        0.9826238383        2.6705634721
C8         -0.6574816630       -0.1996230150        1.7206128173
C9         -0.4243567253       -1.5563755300        2.4452073963
C91         0.7327398309       -1.5377816085        3.4680444126
O7          0.5245712737        0.1633861966        0.9550490135
C6          0.7052912093       -0.5038936687       -0.3241327887
C7          2.1826487952       -0.8164315691       -0.4467131432
C2          2.9075669833       -0.6461192129       -1.5757713374
C1          4.3664916176       -1.0094450446       -1.6407653318
O1B         4.9251938881       -1.4787068949       -0.6615557805
O1A         4.9972479181       -0.8304643520       -2.6702011066
C3          2.2712268353       -0.0970569527       -2.8462413112
C4          0.7271092538       -0.1675820955       -2.8244112310
N4          0.1859478365        0.5606084295       -3.9996550094
HAB         0.4825334631        1.5389086777       -3.9606476985
HAA         0.6017586966        0.1876667575       -4.8580267966
C5          0.1913760203        0.3986587661       -1.4805630638
N5         -1.2830452170        0.5244100610       -1.4825643988
HAD        -1.8133599757       -0.2642485926       -1.8138166091
C10        -1.9690471407        1.6164642576       -1.1075610620
C11        -3.4675795300        1.4741691704       -1.1762038616
O10        -1.4197641719        2.6402564324       -0.7409568350
HM1         2.5838657118        0.9426926728       -2.9746668719
HM2         2.6281140531       -0.6458618923       -3.7216130002
HM3        -3.7759135111        1.2543329564       -2.2001119781
HM4        -3.9557159941        2.3958019337       -0.8529090844
HM5        -3.7969537266        0.6578351682       -0.5301309341
HM6         0.4277767637       -1.2199890079       -2.8943320195
HM7         2.6437586638       -1.2161471291        0.4545853391
HM8         0.6339577781        1.3903091437       -1.3444519069
HM9        -2.5147431030        1.6822001282        4.0365663510
HM10       -2.1971165102       -0.0501738433        4.1626655770
HM11       -3.1186343512        0.5857597478        2.7850244213
HM12       -1.0723581378        1.8912499741        2.0719543096
HM13       -0.1494641513        1.1516967779        3.3646911619
HM14       -1.5002108560       -0.3147624637        1.0332422619
HM15       -1.3418339625       -1.8626487809        2.9516883203
HM16       -0.2207272730       -2.3304178166        1.7025625506
HM17        1.6659788409       -1.2189260961        2.9987587913
HM18        0.5125815280       -0.8670567921        4.3007986209
HM19        0.8858205093       -2.5388192158        3.8781414003
HM20        0.1535800458       -1.4490864984       -0.3340372433
           43
Energy of minimum     85=      -84.7771079693 first found at step     1150
C82        -1.3229530631        2.3730071134        2.0957777014
C81        -0.9574605687        1.0805063934        2.8527539677
C8         -0.7075420220       -0.0992646918        1.8837366552
C9         -0.5764755872       -1.4561099675        2.6267953163
C91         0.6168372632       -1.5300325330        3.6049825819
O7          0.5035227725        0.1745941049        1.1265901448
C6          0.6411973705       -0.5098846050       -0.1476745581
C7          2.0931164628       -0.9273606670       -0.2621889962
C2          2.8528529487       -0.7688415885       -1.3703480277
C1          4.2806751188       -1.2419562904       -1.4216225285
O1B         4.9485852387       -1.0712410453       -2.4292489926
O1A         4.7783191594       -1.7919930466       -0.4519201103
C3          2.2904710030       -0.1224751403       -2.6302728439
C4          0.7457064673       -0.0915681965       -2.6548770731
N4          0.2871254843        0.7379486505       -3.7962457970
HAB        -0.7339582656        0.7909581439       -3.7615789876
HAA         0.6016162656        1.7023977141       -3.6618616663
C5          0.2042283788        0.4385255837       -1.2990754461
N5         -1.2476252299        0.7411844203       -1.3143716085
HAD        -1.5168079309        1.6943421236       -1.1284044915
C10        -2.2423672281       -0.1450705842       -1.4991328062
C11        -3.6274466756        0.4390222677       -1.4031971054
O10        -2.0393567046       -1.3241973144       -1.7235136522
HM1         2.6740691659        0.8986216438       -2.7021815660
HM2         2.6337486522       -0.6522691415       -3.5223751566
HM3        -3.7835613671        0.8682911129       -0.4115972490
HM4        -4.3817167593       -0.3317768519       -1.5741474470
HM5        -3.7559421630        1.2269441969       -2.1480689806
HM6         0.3837113304       -1.1164879964       -2.7926738729
HM7         2.5044097993       -1.3965829542        0.6294107948
HM8         0.7143273897        1.3896242268       -1.1145899386
HM9        -1.5146759475        3.1828348365        2.8031507644
HM10       -2.2217783277        2.2249134923        1.4928367261
HM11       -0.5083760969        2.6818965036        1.4362875699
HM12       -0.0701441623        1.2613765866        3.4634968765
HM13       -1.7760506156        0.8273395665        3.5307232314
HM14       -1.5569983110       -0.1627227660        1.1987246867
HM15       -1.4988144301       -1.6488077812        3.1798719897
HM16       -0.4835104008       -2.2609745405        1.8946285402
HM17        1.5597885312       -1.3346587652        3.0898827109
HM18        0.5065604994       -0.8090002466        4.4173178759
HM19        0.6755990888       -2.5266465078        4.0488540333
HM20        0.0270934667       -1.4144054597       -0.1546532651
           43
Energy of minimum     86=      -84.7357197641 first found at step      913
C82         1.5507347292        2.2129132628        3.2251082421
C81         0.8928307751        0.8506552400        2.9255056440
C8          0.2413818776        0.7884261936        1.5203160196
C9         -0.9070440714        1.8108377675        1.3037070012
C91        -2.0855059344        1.6625632217        2.2906507956
O7         -0.2830050249       -0.5582323904        1.3360856778
C6          0.2056063848       -1.3460377369        0.2107848732
C7          1.7055151463       -1.5371768841        0.3335605026
C2          2.5586047447       -1.5011142285       -0.7151662906
C1          4.0350949545       -1.7341469616       -0.5421427213
O1B         4.4919701701       -1.9671751175        0.5660133382
O1A         4.7812145422       -1.6827136587       -1.5065826081
C3          2.0529350590       -1.2530872464       -2.1312086594
C4          0.5315297457       -1.4899397064       -2.2740464597
N4          0.0927704565       -1.0755381367       -3.6274761933
HAB        -0.9160251424       -1.2282486663       -3.6955868333
HAA         0.1946113498       -0.0601946967       -3.7084107567
C5         -0.2247571150       -0.7302404508       -1.1492091693
N5         -1.6951435276       -0.7740999354       -1.3118686986
HAD        -2.1860269424       -1.5434175192       -0.8844455512
C10        -2.4364655416        0.1720070395       -1.9118072840
C11        -3.9222203561       -0.0722035295       -1.8799831071
O10        -1.9360046499        1.1487984792       -2.4396246915
HM1         2.2872229812       -0.2238873227       -2.4155872469
HM2         2.5676667338       -1.9031936057       -2.8431943027
HM3        -4.1575877312       -1.0131710708       -2.3809310408
HM4        -4.4547529340        0.7368755892       -2.3839971916
HM5        -4.2700821326       -0.1311536164       -0.8466326909
HM6         0.3348993786       -2.5619956823       -2.1557025795
HM7         2.0681568493       -1.7328207334        1.3407204779
HM8         0.1041232299        0.3125703243       -1.1742065659
HM9         2.0827010381        2.1701556085        4.1780999975
HM10        0.8029296682        3.0054410494        3.2940804192
HM11        2.2688697709        2.4755771050        2.4444646051
HM12        1.6624669392        0.0781752152        2.9870836692
HM13        0.1570387975        0.6222739327        3.6994007612
HM14        1.0183862021        0.9845558884        0.7749810449
HM15       -0.5121792276        2.8266589595        1.3674778333
HM16       -1.2880567631        1.7000163620        0.2880742933
HM17       -2.5036979498        0.6542393318        2.2530914527
HM18       -1.7716733175        1.8738914577        3.3146914795
HM19       -2.8799964853        2.3668403493        2.0329679869
HM20       -0.2590366776       -2.3336834811        0.2909445273
           43
Energy of minimum     87=      -84.7117207669 first found at step      640
C82        -0.7725949547        3.5545736489        2.0248674612
C81        -0.4041613082        3.1476630177        0.5809099980
C8         -0.7060011523        1.6633198905        0.2416854347
C9         -2.1941406843        1.2581037095        0.4405653365
C91        -3.1706381215        2.1213338839       -0.3848170766
O7          0.1696723384        0.8460804599        1.0721948392
C6          0.2306623207       -0.6002795041        0.8902039334
C7          1.0540660050       -1.0949426434        2.0645997428
C2          2.1370667316       -1.8983137381        1.9713024498
C1          2.8860081752       -2.3621343899        3.1918459275
O1B         3.8690420558       -3.0768237085        3.0764272946
O1A         2.5173271268       -2.0163952722        4.3032085455
C3          2.6145128409       -2.4032565873        0.6200595166
C4          1.4823686561       -2.3960863842       -0.4273881161
N4          2.0298239261       -2.8240226162       -1.7380579012
HAB         2.3380771092       -3.7983038828       -1.6814617026
HAA         1.2734363459       -2.8182779956       -2.4269422114
C5          0.8217523642       -0.9908197212       -0.5009284314
N5         -0.2074581065       -0.9521756450       -1.5672239215
HAD        -1.0659609717       -1.4526612759       -1.4017273370
C10        -0.0914423525       -0.3023392886       -2.7381788460
C11        -1.2926927007       -0.4143931525       -3.6402114323
O10         0.9023299695        0.3347013845       -3.0382381986
HM1         3.4383971322       -1.7753214733        0.2710171439
HM2         3.0015485618       -3.4219907705        0.6998888761
HM3        -1.1299664272        0.1454186245       -4.5631866247
HM4        -2.1771572057       -0.0152588346       -3.1393144071
HM5        -1.4773283724       -1.4606021457       -3.8921455833
HM6         0.7153911138       -3.1143367060       -0.1142113528
HM7         0.7067224854       -0.7499206450        3.0368092396
HM8         1.6119536668       -0.2698366892       -0.7316402321
HM9        -1.8497062285        3.4908917642        2.1911593274
HM10       -0.4657092014        4.5860287961        2.2113595132
HM11       -0.2684380877        2.9141005318        2.7523104491
HM12       -0.9257603424        3.8000573592       -0.1223934320
HM13        0.6626071174        3.3287716905        0.4282945063
HM14       -0.4346808452        1.5158124947       -0.8044732061
HM15       -2.3342921657        0.2226986063        0.1263043360
HM16       -2.4627132894        1.3086652285        1.4980887028
HM17       -2.8914325081        2.1157430892       -1.4410890922
HM18       -3.1833078195        3.1541861103       -0.0312637581
HM19       -4.1860059865        1.7267733393       -0.2988080217
HM20       -0.7711772108       -1.0264305598        0.9905983107
           43
Energy of minimum     88=      -84.6895621688 first found at step     2601
C82         0.3906312258       -3.0349450292       -3.0690669295
C81         0.1150315149       -2.8173999818       -1.5671270844
C8          0.5341857319       -1.4116437389       -1.0667645839
C9          2.0582836880       -1.1249450680       -1.2003314695
C91         2.9527417176       -2.0581379658       -0.3551783701
O7          0.0944871193       -1.3156571285        0.3192643807
C6          0.2034352624       -0.0525695152        1.0406346245
C7         -0.0209039489       -0.4233086032        2.4944445160
C2         -0.9021268438        0.1799372999        3.3231174145
C1         -1.0465202101       -0.2346360964        4.7628998625
O1B        -0.3548246783       -1.1349244782        5.2128329558
O1A        -1.8606522345        0.3197340521        5.4836726394
C3         -1.7572722151        1.3387535786        2.8379943043
C4         -1.1320111026        2.0446553341        1.6172031157
N4         -2.0565094315        3.1026852712        1.1410543149
HAB        -2.1468795816        3.8291537875        1.8563030459
HAA        -1.6346183864        3.5680732296        0.3334679163
C5         -0.8043870081        1.0106549574        0.5038095323
N5         -0.2972627616        1.6916823120       -0.7112212432
HAD         0.6204710073        2.1046654416       -0.6637138456
C10        -0.9678398404        1.8141578766       -1.8700121389
C11        -0.2243297863        2.5539514270       -2.9513284951
O10        -2.0832939499        1.3529587537       -2.0330082638
HM1        -2.7508709258        0.9669315885        2.5744567882
HM2        -1.8937541300        2.0793177688        3.6298212162
HM3         0.7052057318        2.0327075546       -3.1885589066
HM4         0.0183835094        3.5649078097       -2.6176636871
HM5        -0.8304530578        2.6194591486       -3.8571309490
HM6        -0.1916206152        2.5130656330        1.9309953869
HM7         0.5999883842       -1.2424388033        2.8527216614
HM8        -1.7332049322        0.4839948207        0.2642779638
HM9        -0.0646020921       -2.2398809611       -3.6641755055
HM10       -0.0323780891       -3.9886172951       -3.3924182460
HM11        1.4626738698       -3.0579919866       -3.2757510960
HM12       -0.9574645266       -2.9381748632       -1.3959094154
HM13        0.6152999211       -3.5961963350       -0.9877445040
HM14       -0.0144071187       -0.6809150249       -1.6622505761
HM15        2.3554566058       -1.2026588013       -2.2477023861
HM16        2.2590239041       -0.0897186100       -0.9192046982
HM17        2.6869934746       -2.0045000068        0.7028298053
HM18        2.8642485408       -3.0947924663       -0.6856947346
HM19        4.0002681396       -1.7641387102       -0.4550277063
HM20        1.2213781184        0.3367438238        0.9551833901
           43
Energy of minimum     89=      -84.6612830976 first found at step       23
C82         1.8885531055       -2.0222777766        2.0267360439
C81         1.7229815143       -2.6169805518        0.6136368768
C8          0.5908846829       -1.9165332751       -0.1747632030
C9          0.2352061554       -2.6649517957       -1.4876412888
C91         1.3954611605       -2.7464009946       -2.5042452932
O7          1.0096873642       -0.5565780109       -0.4749591882
C6         -0.0481361442        0.4066772262       -0.7285055453
C7          0.4247702095        1.2812079041       -1.8718381906
C2          0.3300574139        2.6305583541       -1.8968820317
C1          0.7897501459        3.4312150677       -3.0854909740
O1B         0.7077455632        4.6492941408       -3.0745733172
O1A         1.2535237802        2.8648355478       -4.0625504907
C3         -0.2692667126        3.4041072580       -0.7290300894
C4         -1.1138150975        2.5166345307        0.2127397483
N4         -1.4767957312        3.2903381529        1.4254896623
HAB        -1.9866366354        2.6693247085        2.0587557495
HAA        -0.6254127384        3.5389270332        1.9358489118
C5         -0.3312617826        1.2218615722        0.5643595549
N5         -0.9490174828        0.4287677053        1.6547137335
HAD        -0.3949389420        0.2849123820        2.4840327639
C10        -2.1542489748       -0.1670342291        1.6197404525
C11        -2.4962134374       -0.9612878816        2.8529591505
O10        -2.9067263540       -0.0737259418        0.6673903047
HM1         0.5421738901        3.8656456580       -0.1602601742
HM2        -0.9043915613        4.2171334582       -1.0895403479
HM3        -3.4879520363       -1.4072782833        2.7563562928
HM4        -2.4865780711       -0.3142353386        3.7324461253
HM5        -1.7656073458       -1.7594086276        2.9994643971
HM6        -2.0310064309        2.2317552616       -0.3146001595
HM7         0.8487111592        0.7395333424       -2.7151494780
HM8         0.6467830685        1.5446718961        0.9359124823
HM9         0.9612152717       -2.1190772843        2.5959657876
HM10        2.1570757478       -0.9646601139        1.9764100496
HM11        2.6783182065       -2.5486115958        2.5678235762
HM12        2.6684296956       -2.5288593588        0.0737068431
HM13        1.4966206146       -3.6819082426        0.7061675473
HM14       -0.2997611605       -1.8909293112        0.4585174144
HM15       -0.0906285866       -3.6784240754       -1.2417872112
HM16       -0.6172218064       -2.1748061633       -1.9627255618
HM17        1.7544415042       -1.7501532622       -2.7712910022
HM18        2.2313884156       -3.3231954725       -2.1036029993
HM19        1.0576184157       -3.2392087236       -3.4189679939
HM20       -0.9557800533       -0.1108748895       -1.0507689282
           43
Energy of minimum     90=      -84.6381919467 first found at step      414
C82        -1.9538689879        3.2027038424       -1.4208239254
C81        -0.9280885081        2.1039435442       -1.7661970875
C8          0.1128290024        1.8798803555       -0.6428188940
C9          1.1344680431        3.0431048242       -0.5535090914
C91         2.1346694428        2.8741255406        0.6082476495
O7          0.8156485404        0.6456361745       -0.9540850545
C6          0.9772076702       -0.3150384299        0.1262782521
C7          2.2556294258       -1.0710980440       -0.1767051985
C2          2.3916554662       -2.4142997418       -0.0990982573
C1          3.7034487273       -3.0939110960       -0.3863145410
O1B         4.6825467555       -2.4313150932       -0.6922562506
O1A         3.7913196017       -4.3095472184       -0.3221506869
C3          1.2242979862       -3.3000590826        0.3126787543
C4          0.1101720870       -2.5142669507        1.0389701471
N4         -1.0513819417       -3.4112934377        1.2648077373
HAB        -1.4154976003       -3.7283959249        0.3630370638
HAA        -0.7438124296       -4.2603382689        1.7472271059
C5         -0.2651048325       -1.2480662999        0.2182102340
N5         -1.4477153454       -0.5599097705        0.7828241201
HAD        -1.3368304648       -0.0994829489        1.6707403983
C10        -2.6787406391       -0.5723813975        0.2457430497
C11        -3.7222411464        0.1647753034        1.0446774012
O10        -2.9265674525       -1.1277054945       -0.8103274467
HM1         0.8098033810       -3.7767484275       -0.5796485445
HM2         1.5649732922       -4.1021967911        0.9724324785
HM3        -4.6834083368        0.1434210987        0.5276045096
HM4        -3.4236729427        1.2053202470        1.1866754879
HM5        -3.8406770956       -0.3001420102        2.0254384242
HM6         0.4959390068       -2.1877880708        2.0119051896
HM7         3.0988398827       -0.4452519132       -0.4630444568
HM8        -0.4953758719       -1.5737142000       -0.8008843353
HM9        -2.7158630332        3.2613014527       -2.2011846414
HM10       -1.4762865580        4.1812553551       -1.3444449811
HM11       -2.4525072942        2.9831134252       -0.4738619089
HM12       -1.4695250383        1.1711301192       -1.9390709097
HM13       -0.4214328508        2.3577077549       -2.7006220555
HM14       -0.4097319413        1.7825164242        0.3130030481
HM15        1.6829799747        3.1287556157       -1.4948515463
HM16        0.6028202382        3.9848151488       -0.4053373674
HM17        1.6071212984        2.7616901869        1.5583169431
HM18        2.7702633541        1.9997632775        0.4552076749
HM19        2.7819708296        3.7515398667        0.6790761431
HM20        1.1097263049        0.2164510549        1.0741353686
           43
Energy of minimum     91=      -84.6049063940 first found at step      120
C82         0.9704241155       -3.4323531869        1.6905121217
C81        -0.3261264846       -2.6386729832        1.4172997014
C8         -0.3096248847       -1.8235851099        0.0963983387
C9         -0.0408391651       -2.6743842586       -1.1754326627
C91        -1.0956984476       -3.7783927679       -1.3935835893
O7          0.7170277762       -0.7998896115        0.2128597434
C6          0.5654971798        0.3784203809       -0.6256141596
C7          1.9490621566        0.7316407440       -1.1319216063
C2          2.4430887181        1.9894122417       -1.1891974826
C1          3.8155164978        2.2753422801       -1.7363808358
O1B         4.5121872417        1.3621538600       -2.1511006078
O1A         4.2390261662        3.4197288376       -1.7615517218
C3          1.6193276943        3.1822810526       -0.7213430016
C4          0.1119937680        2.8615270539       -0.6001356706
N4         -0.5828429065        4.0054503539        0.0425380535
HAB        -0.1923072255        4.1608978929        0.9751934300
HAA        -0.3862289126        4.8651341882       -0.4780745141
C5         -0.0842974225        1.5348371892        0.1840093471
N5         -1.5096145777        1.2762939362        0.4861425059
HAD        -2.1647658052        1.3560399300       -0.2736179816
C10        -2.0038318967        0.9767329733        1.6984651889
C11        -3.4913527757        0.7380519770        1.7312482634
O10        -1.3021197520        0.9050907176        2.6919165843
HM1         1.9981676926        3.5116240815        0.2499059476
HM2         1.7375359271        4.0232592975       -1.4095326650
HM3        -4.0210136750        1.6320025828        1.3964396636
HM4        -3.8187432045        0.4949305454        2.7441164415
HM5        -3.7531953634       -0.0903547645        1.0698357745
HM6        -0.2948282515        2.7245063106       -1.6089782201
HM7         2.5417866496       -0.1143359564       -1.4752596511
HM8         0.4690005830        1.6268428779        1.1237379658
HM9         1.1198342437       -4.2145090237        0.9436350220
HM10        0.9142755333       -3.9121214737        2.6700695664
HM11        1.8412307864       -2.7726532549        1.6854909679
HM12       -1.1749723126       -3.3255204841        1.4142768757
HM13       -0.4952811848       -1.9501059281        2.2483408125
HM14       -1.2834867433       -1.3366030870       -0.0065373964
HM15       -0.0495578804       -2.0254947313       -2.0535202983
HM16        0.9538202989       -3.1229476805       -1.1281033441
HM17       -2.1016117745       -3.3523488879       -1.4106147836
HM18       -1.0481416336       -4.5322070595       -0.6051855552
HM19       -0.9222469455       -4.2811416783       -2.3481493784
HM20       -0.0660738035        0.1454206237       -1.4885971896
           43
Energy of minimum     92=      -84.5841812006 first found at step       79
C82        -3.0487987284       -2.2050221314        1.1536195468
C81        -2.5236492809       -1.6031923047       -0.1690188576
C8         -0.9870574619       -1.7019418497       -0.3540890496
C9         -0.4935185869       -3.1728288348       -0.3520345583
C91         0.9698184871       -3.3191977532       -0.8154461671
O7         -0.3449876930       -0.9589640109        0.7200179658
C6          0.7913697751       -0.1250080398        0.3617700118
C7          1.7353515078       -0.1606241514        1.5467720181
C2          2.3583593198        0.9224025029        2.0639798664
C1          3.3111000448        0.8073748755        3.2232490427
O1B         3.8484847188        1.8048743735        3.6779659549
O1A         3.5450244113       -0.2844219117        3.7170022498
C3          2.1409857817        2.3102294754        1.4770835934
C4          1.5427956926        2.2717704177        0.0529814355
N4          1.1882770200        3.6501786347       -0.3657799822
HAB         2.0378218297        4.2150448074       -0.4483009335
HAA         0.7923024002        3.6159107374       -1.3087228145
C5          0.3201954111        1.3150050301        0.0118026355
N5         -0.3798666503        1.3717899061       -1.2924485288
HAD         0.1020400194        1.0012085625       -2.0955218925
C10        -1.6197853591        1.8531908870       -1.4853787997
C11        -2.1182694622        1.7548462664       -2.9037762235
O10        -2.2875586049        2.3266953277       -0.5832356018
HM1         1.4697032406        2.8694675798        2.1341381699
HM2         3.0819560853        2.8646942187        1.4395235869
HM3        -1.4633931129        2.3187338592       -3.5708154382
HM4        -3.1303388849        2.1568567363       -2.9835746213
HM5        -2.1292550553        0.7115738769       -3.2260000481
HM6         2.3019958046        1.8783919045       -0.6333593782
HM7         1.9024809798       -1.1501180814        1.9682412479
HM8        -0.3674324191        1.6305373716        0.8024199449
HM9        -4.1276802725       -2.0525139708        1.2291319000
HM10       -2.5794348651       -1.7270917623        2.0162211597
HM11       -2.8593694824       -3.2792964089        1.2032583194
HM12       -3.0160823579       -2.1022262184       -1.0070934689
HM13       -2.8179240991       -0.5528337808       -0.2166482571
HM14       -0.7395505002       -1.2476957013       -1.3179120285
HM15       -0.5939955769       -3.6048248463        0.6462882002
HM16       -1.1258560883       -3.7596569996       -1.0228976379
HM17        1.1130956596       -2.8606725906       -1.7966763247
HM18        1.6542525065       -2.8511177426       -0.1054958710
HM19        1.2369552991       -4.3760372953       -0.8905513576
HM20        1.3094385471       -0.5554909653       -0.5006890091
           43
Energy of minimum     93=      -84.5577007972 first found at step     1188
C82         2.0538955513        3.0981162281       -1.8307896695
C81         2.0475691791        1.5536392491       -1.8100982370
C8          0.7492212631        0.9261363370       -1.2332007236
C9         -0.5470911335        1.3507738480       -1.9692736226
C91        -0.5541283347        0.9470885904       -3.4575620412
O7          0.6199691935        1.3197598096        0.1635560082
C6          0.6419516062        0.2759903865        1.1816660117
C7          1.9598184810       -0.4728919819        1.1193914315
C2          2.0761683252       -1.8106005335        1.2802394546
C1          3.4143225813       -2.4980368918        1.2463614234
O1B         4.4327288658       -1.8466849668        1.0741904085
O1A         3.4854022352       -3.7088270969        1.3821624086
C3          0.8516360743       -2.6801387513        1.5380729250
C4         -0.3702041123       -1.8644045961        2.0201400976
N4         -1.5552626198       -2.7507953576        2.0979147901
HAB        -2.3527241305       -2.1896182639        2.4057628425
HAA        -1.8094551472       -3.0416460581        1.1499540264
C5         -0.5985298495       -0.6543458033        1.0725545753
N5         -1.8470050174        0.0823867694        1.3700898876
HAD        -1.7944318921        0.8339867150        2.0391974386
C10        -3.0268888414       -0.1169438014        0.7594012526
C11        -4.1295855288        0.8129433449        1.1925178692
O10        -3.1846516221       -0.9880943509       -0.0769856754
HM1         0.5929630708       -3.2098119580        0.6174527728
HM2         1.0715792021       -3.4417330407        2.2904674516
HM3        -5.0521499155        0.5864931275        0.6546249378
HM4        -3.8491977542        1.8483054211        0.9882135280
HM5        -4.3121873289        0.7063046795        2.2636917678
HM6        -0.1555772094       -1.4784737393        3.0236199605
HM7         2.8388415585        0.1471970219        0.9557000166
HM8        -0.6516081520       -1.0396426510        0.0503822625
HM9         3.0210198577        3.4616701663       -2.1849275081
HM10        1.8855127588        3.5041047171       -0.8309664140
HM11        1.2852400387        3.4884687575       -2.5009183920
HM12        2.2144609683        1.1807533141       -2.8227355517
HM13        2.8978932394        1.2097028037       -1.2176939394
HM14        0.8425981786       -0.1621085321       -1.3004792316
HM15       -1.3992244450        0.8715578993       -1.4848866488
HM16       -0.7013455342        2.4281152021       -1.8794898134
HM17        0.2076472498        1.4921219564       -4.0187342541
HM18       -0.3700519277       -0.1242212418       -3.5665603662
HM19       -1.5252497015        1.1737644057       -3.9042784644
HM20        0.5961107188        0.7796388662        2.1522550044
           43
Energy of minimum     94=      -84.5288794562 first found at step      229
C82        -1.2792750272       -1.7730319158       -2.6624321302
C81        -2.1224819145       -0.5232160966       -2.3388014723
C8         -1.7778625349        0.0579126446       -0.9467745006
C9         -2.7864137189        1.1498461450       -0.4978692910
C91        -2.8234594241        2.3938871411       -1.4130475912
O7         -0.4332224516        0.6095917999       -0.9972402143
C6          0.2641079503        0.7403914526        0.2708318620
C7          1.0082701168        2.0593584924        0.2229933765
C2          2.2945020437        2.2302664600        0.6060126449
C1          2.9569606060        3.5810131234        0.5635475271
O1B         4.1242916332        3.7035685886        0.8995299095
O1A         2.3304839662        4.5583031786        0.1854665172
C3          3.1285974935        1.0642618535        1.1217584019
C4          2.2704786275       -0.1427842156        1.5625818309
N4          3.1551321536       -1.2999952748        1.8443377234
HAB         2.5653682652       -2.1020430776        2.0799271742
HAA         3.6363821945       -1.5756156366        0.9843602190
C5          1.2167096147       -0.4717522064        0.4699682885
N5          0.5167567099       -1.7612387909        0.6869278322
HAD         0.6245554813       -2.4641218199       -0.0271360167
C10        -0.2877816823       -2.0646689900        1.7212675619
C11        -0.9095114345       -3.4348031737        1.6503767624
O10        -0.4979260126       -1.2932864407        2.6392366535
HM1         3.8178369477        0.7498470928        0.3336941816
HM2         3.7412840255        1.3739001493        1.9721130368
HM3        -1.5260667829       -3.5190085660        0.7533610592
HM4        -1.5368953068       -3.6172603238        2.5252475808
HM5        -0.1312239081       -4.1996084376        1.6112516348
HM6         1.7395551432        0.1303604768        2.4812758925
HM7         0.4206746752        2.9014826918       -0.1373835534
HM8         1.7695622687       -0.5765563303       -0.4692947741
HM9        -0.2144304311       -1.5304996777       -2.6856626349
HM10       -1.5589445566       -2.1732084659       -3.6394697718
HM11       -1.4421323740       -2.5525322422       -1.9143914625
HM12       -1.9587043303        0.2300586429       -3.1126565833
HM13       -3.1798590972       -0.7971627516       -2.3670098193
HM14       -1.8080911666       -0.7579511421       -0.2198697541
HM15       -3.7869780910        0.7129619298       -0.4558992738
HM16       -2.5470498863        1.4666165801        0.5194034127
HM17       -3.1579448274        2.1343498576       -2.4194185920
HM18       -1.8386656941        2.8607260337       -1.4816988925
HM19       -3.5196310817        3.1335799505       -1.0106499979
HM20       -0.4569581823        0.7880612909        1.0912352422
           43
Energy of minimum     95=      -84.5019689383 first found at step     1452
C82         0.7756744569        3.0714803728        2.6523774173
C81         1.0149959900        2.0365209815        1.5341727225
C8          0.6210511694        0.5950272893        1.9513247026
C9          1.5758941510        0.0143577020        3.0241314123
C91         1.1619822235       -1.4049237300        3.4651229456
O7          0.6899565433       -0.2580810338        0.7767897981
C6         -0.4806027181       -0.2665087716       -0.0844265935
C7         -1.4894949023       -1.2495167604        0.4796541997
C2         -2.1801564580       -2.1437616769       -0.2649380406
C1         -3.1957237855       -3.0665248078        0.3534273285
O1B        -3.7922283950       -3.8757943668       -0.3392508897
O1A        -3.4222183955       -3.0122547778        1.5518159320
C3         -1.9771308861       -2.2483561838       -1.7723864400
C4         -1.2670861718       -1.0159060146       -2.3781303668
N4         -0.8967588815       -1.2994158334       -3.7864182907
HAB        -0.3814847605       -0.4933221762       -4.1491199672
HAA        -0.2236271944       -2.0698443828       -3.8109446092
C5         -0.0288863199       -0.6457582316       -1.5178093937
N5          0.8625065892        0.3666953932       -2.1344728046
HAD         1.8227376576        0.0981161300       -2.2807221206
C10         0.5388384322        1.6380769122       -2.4304265040
C11         1.6763397527        2.4659893954       -2.9687963997
O10        -0.5836991328        2.0838465297       -2.2771470052
HM1        -1.3880535695       -3.1444979006       -1.9843056675
HM2        -2.9354112189       -2.3731806616       -2.2827905354
HM3         2.0598455302        2.0216747477       -3.8892728126
HM4         2.4871949821        2.5096149318       -2.2387054449
HM5         1.3422264084        3.4831870011       -3.1828775102
HM6        -1.9659376668       -0.1723133631       -2.3570861012
HM7        -1.6499501373       -1.1867763973        1.5537388461
HM8         0.5643985639       -1.5606834355       -1.4182479527
HM9         1.4347343378        2.8957354355        3.5045636912
HM10       -0.2602794626        3.0331710013        2.9970348013
HM11        0.9737545054        4.0791106988        2.2792455232
HM12        0.4276436640        2.3387339683        0.6651002493
HM13        2.0653170400        2.0621542376        1.2334714921
HM14       -0.4009540302        0.5918528526        2.3432885663
HM15        2.5989749896       -0.0066221806        2.6404427961
HM16        1.5740154091        0.6566900307        3.9065162807
HM17        0.1404378746       -1.4047189725        3.8523911913
HM18        1.2170908559       -2.1077397494        2.6308359577
HM19        1.8264935391       -1.7642949801        4.2544423382
HM20       -0.9324205792        0.7287607767       -0.1016127421
           43
Energy of minimum     96=      -84.4726490558 first found at step       15
C82        -3.0049211015        2.0675961095        0.4272475584
C81        -3.2847864686        0.7384897579       -0.3035987411
C8         -1.9823207507       -0.0183868950       -0.6572517262
C9         -2.2934939140       -1.2882529987       -1.4971289608
C91        -1.3333808681       -1.4444895966       -2.6946858339
O7         -1.3393509638       -0.3816272902        0.5998003992
C6          0.0169993935       -0.9107157411        0.5908801335
C7          0.1471509164       -1.6782292070        1.8924528312
C2          1.1731856940       -1.5570955389        2.7644336629
C1          1.2420040617       -2.3779321895        4.0241740333
O1B         0.3602060314       -3.1834826881        4.2790182115
O1A         2.1740245477       -2.2365491186        4.7994390639
C3          2.3260267705       -0.6052155658        2.4871473168
C4          2.4419535903       -0.2471903598        0.9904284973
N4          3.4990409084        0.7792011611        0.8161457208
HAB         4.4087942304        0.3837666268        1.0681041435
HAA         3.5700549688        1.0122142824       -0.1776229105
C5          1.0684683382        0.2303474660        0.4431746328
N5          1.1888809937        0.7051508638       -0.9548264811
HAD         1.3964555844        0.0191249792       -1.6622135141
C10         1.0278364321        1.9771363100       -1.3584550316
C11         1.1754147417        2.1877126888       -2.8429137015
O10         0.7754562887        2.8839427140       -0.5855129103
HM1         2.1814599840        0.3091719807        3.0685134109
HM2         3.2746758372       -1.0408992416        2.8102319188
HM3         1.0276024560        3.2394821510       -3.0952894004
HM4         0.4371435278        1.5906986995       -3.3823293912
HM5         2.1729039032        1.8856748319       -3.1683684095
HM6         2.7307252394       -1.1492395117        0.4380561303
HM7        -0.6676079382       -2.3716887206        2.0926757047
HM8         0.7363615925        1.0576032692        1.0777835452
HM9        -3.9424766511        2.5879252854        0.6350153161
HM10       -2.3804930813        2.7197011661       -0.1876343661
HM11       -2.4946970465        1.8933065104        1.3774969349
HM12       -3.9244036717        0.1053747718        0.3166215343
HM13       -3.8363723979        0.9595776506       -1.2207062774
HM14       -1.3464134671        0.6605978677       -1.2274643021
HM15       -2.2487671215       -2.1814051354       -0.8688570014
HM16       -3.3115677121       -1.2374963195       -1.8912417619
HM17       -1.4051664679       -0.5790917870       -3.3577867143
HM18       -0.2974646205       -1.5420280292       -2.3678895902
HM19       -1.5917047449       -2.3360725899       -3.2712410149
HM20        0.1325629554       -1.6267086200       -0.2258226597
           43
Energy of minimum     97=      -84.4483925189 first found at step     1127
C82         1.0285629318        2.5098097598       -2.8765715006
C81        -0.0862475361        2.4048196734       -1.8123029429
C8          0.3612566658        1.7513483863       -0.4770444712
C9          1.5629124528        2.4580048507        0.2088722412
C91         1.2757617850        3.9342286652        0.5517203615
O7          0.7118411177        0.3659700394       -0.7480532881
C6          0.6373175750       -0.5598416804        0.3708898206
C7          1.8366398374       -1.4783790236        0.2549721927
C2          1.7946295687       -2.8167834334        0.4453244462
C1          3.0318658858       -3.6680575467        0.3487927812
O1B         4.1114670036       -3.1539215664        0.1010353239
O1A         2.9592058938       -4.8754727747        0.5115360740
C3          0.4902222046       -3.5236234130        0.7906606836
C4         -0.6032334079       -2.5545831972        1.2955511390
N4         -1.8883028989       -3.2875757061        1.4209358901
HAB        -2.1591292786       -3.6592012338        0.5071146325
HAA        -1.7598223164       -4.1094712223        2.0181994449
C5         -0.7097473318       -1.3342844879        0.3399796967
N5         -1.8623483391       -0.4685973566        0.6743129186
HAD        -1.9696504394       -0.1928286266        1.6361937008
C10        -2.7951433517       -0.0481186770       -0.1955578423
C11        -3.8532418026        0.8454291212        0.3982038653
O10        -2.7844645271       -0.3663259638       -1.3715986604
HM1         0.1276778218       -4.0462219652       -0.0985883761
HM2         0.6575817278       -4.2832201094        1.5586625043
HM3        -4.5722953317        1.1448941375       -0.3666277152
HM4        -3.3945152565        1.7426782211        0.8188050222
HM5        -4.3854799940        0.3203262847        1.1939034721
HM6        -0.3095697922       -2.1872683024        2.2859486897
HM7         2.7745239866       -0.9803635419        0.0157322344
HM8        -0.8388191638       -1.7248987415       -0.6741528141
HM9         0.6197428642        2.9141651285       -3.8051644184
HM10        1.4562924143        1.5287558970       -3.0943143691
HM11        1.8294331767        3.1750100099       -2.5473212937
HM12       -0.4901340024        3.4000491116       -1.6152894503
HM13       -0.9102310391        1.8195088428       -2.2268571914
HM14       -0.4931259011        1.7716085001        0.2054350918
HM15        1.8042902322        1.9398552657        1.1391685215
HM16        2.4512489550        2.3948859770       -0.4233515859
HM17        1.1506036677        4.5338127644       -0.3522030301
HM18        0.3700790622        4.0195530904        1.1566729126
HM19        2.1073446715        4.3569919106        1.1207623633
HM20        0.7150002085       -0.0126670671        1.3156129251
           43
Energy of minimum     98=      -84.4216730760 first found at step      178
C82        -1.6758573737       -0.4219837385       -2.7287826603
C81        -0.5569559582       -1.3456898224       -2.1995306008
C8         -0.7771261687       -1.8410527152       -0.7410171953
C9         -2.1018791287       -2.6156430891       -0.5261424647
C91        -2.2012289413       -3.8933701401       -1.3845002596
O7         -0.7914325439       -0.7068811684        0.1679227003
C6          0.5024326888       -0.1711906309        0.5578311837
C7          1.0286922859       -0.9874283788        1.7239275332
C2          1.5909968379       -0.4567874281        2.8344823545
C1          2.1266564997       -1.3269277810        3.9395627750
O1B         2.0689790359       -2.5430040226        3.8440475662
O1A         2.6137693082       -0.8208014234        4.9376697349
C3          1.7282395041        1.0508912811        3.0124441835
C4          1.5725722739        1.8348334878        1.6894747798
N4          1.4883759675        3.2869582652        1.9812402097
HAB         1.3311327200        3.7807930354        1.0990788328
HAA         0.6485056896        3.4727346234        2.5356333737
C5          0.3242529056        1.3262118664        0.9188507161
N5         -0.0556601306        2.1663379474       -0.2430593367
HAD        -0.9823125309        2.5619378182       -0.2349826999
C10         0.6857196927        2.3843674155       -1.3440274632
C11         0.0140809416        3.2274032982       -2.3967105763
O10         1.8127100856        1.9431837922       -1.4768944395
HM1         0.9710855923        1.3897278558        3.7244078015
HM2         2.7008196454        1.3016204685        3.4432978032
HM3         0.6720210763        3.3569643768       -3.2581323528
HM4        -0.2306945157        4.2111020711       -1.9909927097
HM5        -0.9088866873        2.7493235691       -2.7302153146
HM6         2.4585024868        1.6468334849        1.0728338597
HM7         0.9440074012       -2.0661934166        1.6120082377
HM8        -0.5141103746        1.3723659112        1.6216513565
HM9        -1.4115897833       -0.0456967715       -3.7194751521
HM10       -1.8223082447        0.4349518591       -2.0684307467
HM11       -2.6224503255       -0.9591687975       -2.8169031774
HM12       -0.4590167963       -2.2055084340       -2.8653637587
HM13        0.3933364204       -0.8122439079       -2.2612773714
HM14        0.0505145516       -2.5022132182       -0.4662360703
HM15       -2.1678742211       -2.9047464534        0.5256409665
HM16       -2.9589173819       -1.9697294980       -0.7287917154
HM17       -2.2613697911       -3.6518374177       -2.4476631482
HM18       -1.3336270098       -4.5365170802       -1.2198864679
HM19       -3.0989865935       -4.4565252265       -1.1182068345
HM20        1.2048808900       -0.2574018676       -0.2747834526
           43
Energy of minimum     99=      -84.3989824993 first found at step     1657
C82         0.2203113252       -2.0327318694        3.2162267700
C81         1.0597670846       -1.2322978399        2.1955343170
C8          0.4240423045        0.1177877601        1.7648613296
C9          0.2527933238        1.0760678076        2.9696876252
C91        -0.1092866724        2.5074697311        2.5237506905
O7         -0.8910992130       -0.0635501394        1.1502260778
C6         -1.0283359312       -0.5502901602       -0.2233988385
C7         -0.8380943570       -2.0515302859       -0.2878914013
C2         -0.2658569356       -2.6932715002       -1.3318150351
C1         -0.1417623720       -4.1926026362       -1.3652894760
O1B         0.3918879441       -4.7429166316       -2.3154923591
O1A        -0.5717650995       -4.8632858760       -0.4403699561
C3          0.2591073030       -1.9249803325       -2.5396686996
C4         -0.2770369895       -0.4755934480       -2.6215464879
N4          0.4461231427        0.2566693484       -3.6894465085
HAB         0.2310045158       -0.1592543156       -4.5996162405
HAA         0.0844680883        1.2128492068       -3.7361479233
C5         -0.1365038101        0.2161596742       -1.2393279681
N5         -0.4778945023        1.6560990212       -1.2793929106
HAD        -1.4520503945        1.9003060459       -1.3559948161
C10         0.4027091275        2.6637717960       -1.1593387263
C11        -0.2086402815        4.0407806371       -1.1808706706
O10         1.6001430268        2.4753928952       -1.0387987316
HM1         1.3509552980       -1.9002541433       -2.4907801583
HM2        -0.0035682946       -2.4408922679       -3.4665630451
HM3        -0.7261683655        4.2056253637       -2.1278177096
HM4         0.5626361391        4.8048869630       -1.0647384293
HM5        -0.9295935726        4.1443648107       -0.3673952016
HM6        -1.3428153066       -0.5106184739       -2.8767234617
HM7        -1.2257734998       -2.6072689993        0.5626408624
HM8         0.9077630359        0.0979494072       -0.9398945905
HM9        -0.7910753411       -2.2098280720        2.8461117796
HM10        0.1523242902       -1.5038424669        4.1689927163
HM11        0.6868658408       -3.0022335968        3.4053408677
HM12        2.0409328997       -1.0329425137        2.6330567724
HM13        1.2478575501       -1.8480055388        1.3150558171
HM14        1.0991516064        0.6044805227        1.0581884998
HM15       -0.5242278708        0.7043695651        3.6416761475
HM16        1.1847553811        1.1139274402        3.5389745919
HM17        0.6727437117        2.9197894832        1.8824868001
HM18       -1.0530416852        2.5200912955        1.9740289548
HM19       -0.2143996855        3.1593784522        3.3942085831
HM20       -2.0693527592       -0.3600261198       -0.5027298576
           43
Energy of minimum    100=      -84.3767058933 first found at step        4
C82        -1.8080387414        0.1691793664       -2.7177912420
C81        -1.9346417380       -1.2749881994       -2.1969436113
C8         -0.6845480163       -1.7568591349       -1.4186908123
C9         -0.8185521104       -3.2655164275       -1.0975915539
C91         0.4391544119       -3.8426348320       -0.4167529934
O7         -0.5794438706       -1.0344045744       -0.1588673471
C6          0.4002201612        0.0402345020       -0.0761003357
C7          1.7968670049       -0.5581901795       -0.0148518212
C2          2.7466312318       -0.2074656581        0.8827853889
C1          4.1223997565       -0.8180821049        0.8545198818
O1B         4.4096562160       -1.6426122879        0.0008532834
O1A         4.9541771233       -0.4963381021        1.6878425436
C3          2.4790472269        0.8497235856        1.9457109056
C4          1.2835281378        1.7601714882        1.5910655259
N4          0.9710539062        2.6361768610        2.7470994035
HAB         0.1469193523        3.1941477037        2.5106971698
HAA         0.6758516622        2.0592684800        3.5390407003
C5          0.0650274342        0.8885852808        1.1801591873
N5         -1.2079305854        1.6386842354        1.0506830185
HAD        -1.9901428864        1.3023475065        1.5898039676
C10        -1.4379705253        2.6871368143        0.2404498106
C11        -2.8460389307        3.2200661074        0.2893469586
O10        -0.5795756409        3.1635352583       -0.4793652954
HM1         2.2868826074        0.3514808143        2.8995157515
HM2         3.3569198061        1.4841278747        2.0911526765
HM3        -2.9568255873        4.0675908621       -0.3897871432
HM4        -3.0897907394        3.5475459497        1.3020697500
HM5        -3.5522858910        2.4407987479       -0.0043731096
HM6         1.5701758709        2.3838140742        0.7372806183
HM7         2.0185127500       -1.3020515487       -0.7754726901
HM8        -0.0836375813        0.1720712442        1.9947059711
HM9        -2.6660093291        0.4184669124       -3.3460095294
HM10       -0.9002142211        0.2878517301       -3.3136877899
HM11       -1.7814044021        0.8787584843       -1.8909239717
HM12       -2.8200399160       -1.3575585334       -1.5615637531
HM13       -2.0941202614       -1.9318065477       -3.0555657393
HM14        0.2093012360       -1.5984350111       -2.0296913349
HM15       -1.6873728752       -3.4324971567       -0.4557775770
HM16       -0.9929953303       -3.8165552288       -2.0250461326
HM17        1.3181315650       -3.7034162508       -1.0501093801
HM18        0.6213518386       -3.3588142789        0.5453443044
HM19        0.3141552078       -4.9132865991       -0.2384632224
HM20        0.3256146724        0.6697487722       -0.9667004318
