           43
Energy of minimum      1=      -68.3789792765 first found at step        0
C82         3.2586380611        0.1162144090       -1.0236543437
C81         2.5020393854       -1.2293309564       -1.0441921298
C8          1.0929989077       -1.1541014349       -1.6943340390
C9          1.1594098121       -0.7439584955       -3.1863892929
C91        -0.2103882896       -0.8843005655       -3.8785169474
O7          0.2586857045       -0.1932949665       -0.9832033113
C6         -0.3571303480       -0.6411989844        0.2523868214
C7         -1.6017504586       -1.4420360359       -0.0886960246
C2         -2.7868658417       -1.3146657961        0.5522524899
C1         -3.9822998645       -2.1551227586        0.1940364630
O1B        -5.0386877003       -1.9940006277        0.7829677394
O1A        -3.8991009965       -2.9928770357       -0.6896011763
C3         -2.9656180143       -0.3191200491        1.6909032706
C4         -1.6212750987        0.1895399470        2.2597683360
N4         -1.8598315751        1.3086555809        3.2029107120
HAB        -0.9447451800        1.6304549190        3.5276549685
HAA        -2.2206573504        2.1027431240        2.6674692864
C5         -0.6808131299        0.6098229381        1.1000896809
N5          0.5647412002        1.2664405456        1.5640568428
HAD         1.3305433012        0.6705704425        1.8397521037
C10         0.7775791008        2.5971581265        1.5823420877
C11         2.1558194127        3.0211533309        2.0480867951
O10        -0.0898381343        3.3889604185        1.2517120581
HM1        -3.5492928376        0.5310482878        1.3291928119
HM2        -3.5324691204       -0.7672323242        2.5104743246
HM3         2.3409975592        2.6594767339        3.0626332816
HM4         2.2505198405        4.1099556151        2.0450477330
HM5         2.9237385349        2.6043854290        1.3918071755
HM6        -1.1441616272       -0.6325133491        2.8063696232
HM7        -1.4931194103       -2.1621522749       -0.8970436308
HM8        -1.2328085805        1.3027682952        0.4565436963
HM9         2.6763699816        0.8874648987       -0.5163751975
HM10        3.4828937128        0.4578638754       -2.0359968022
HM11        4.2058268338        0.0024549900       -0.4919582530
HM12        3.1049829051       -1.9639281236       -1.5835076625
HM13        2.4118866290       -1.5988840376       -0.0204625458
HM14        0.6365588555       -2.1470593719       -1.6369750888
HM15        1.5035600128        0.2883298452       -3.2847849736
HM16        1.8802902343       -1.3797979890       -3.7063601305
HM17       -0.1269171809       -0.6191172860       -4.9347457852
HM18       -0.9498299740       -0.2244248497       -3.4192104865
HM19       -0.5724006728       -1.9128092414       -3.8113816930
HM20        0.3419214004       -1.2735351987        0.8089312128
           43
Energy of minimum      2=      -67.7948994189 first found at step      100
C82         0.2262339525       -2.4552805884       -2.3831764111
C81        -0.1979061839       -2.7965626703       -0.9386860300
C8         -1.3000247230       -1.8639333962       -0.3644702834
C9         -2.6145661776       -1.9413139442       -1.1802469428
C91        -3.7658262426       -1.1924946783       -0.4809048423
O7         -0.8374724806       -0.4810191385       -0.3520316930
C6          0.0320181530       -0.0855873137        0.7416010517
C7         -0.8251643561        0.1990753341        1.9629375941
C2         -0.6690607348        1.2734108266        2.7705078179
C1         -1.5286954372        1.4887269030        3.9866092965
O1B        -1.3691580269        2.4815729745        4.6776969610
O1A        -2.3899306068        0.6750493742        4.2795433576
C3          0.4061285962        2.3163768155        2.4980612421
C4          1.4960992672        1.8188948736        1.5213984970
N4          2.3690080191        2.9516354517        1.1255919730
HAB         2.8900356055        3.2722003025        1.9469242137
HAA         3.0792735340        2.5934097300        0.4819646355
C5          0.8417448976        1.1505878075        0.2856017220
N5          1.8252899755        0.7789431045       -0.7607007095
HAD         2.5020126330        0.0670813839       -0.5320174118
C10         1.8595417051        1.2850662137       -2.0098909265
C11         2.9476267652        0.7165502587       -2.8992413023
O10         1.0718183135        2.1385368128       -2.3849153827
HM1        -0.0666309445        3.2095835463        2.0819414602
HM2         0.8946766768        2.6196783436        3.4270356410
HM3         2.9003474962        1.1519461363       -3.9005939331
HM4         2.8401896592       -0.3673937700       -2.9875794216
HM5         3.9324095439        0.9278484208       -2.4750253771
HM6         2.1053309124        1.0643230663        2.0330910934
HM7        -1.5968077578       -0.5367732030        2.1790488764
HM8         0.1301706101        1.8721408199       -0.1270596159
HM9         0.5566525367       -1.4182636801       -2.4612233875
HM10        1.0536310467       -3.0986843380       -2.6901811356
HM11       -0.5967087399       -2.6125801293       -3.0831228175
HM12       -0.5550084964       -3.8289516509       -0.9118805159
HM13        0.6831263926       -2.7600907618       -0.2943079425
HM14       -1.5187660145       -2.1849157560        0.6585558421
HM15       -2.4712843223       -1.5208931059       -2.1785180899
HM16       -2.9036517932       -2.9878644913       -1.3048937736
HM17       -3.9442676569       -1.6040965123        0.5151609905
HM18       -4.6856959647       -1.2906780153       -1.0615272914
HM19       -3.5374815874       -0.1288786890       -0.3821832643
HM20        0.7307419551       -0.8963826678        0.9711062356
           43
Energy of minimum      3=      -67.5682017811 first found at step      129
C82         1.2091541585       -3.9393547984       -1.1204090474
C81         1.2370143237       -2.5088788271       -0.5460195018
C8          0.6052338698       -1.4615865584       -1.5027726723
C9          1.4586635818       -1.2471217545       -2.7789411358
C91         0.8242233830       -0.2169357157       -3.7346245223
O7          0.5044873213       -0.1879689904       -0.8027634250
C6         -0.6463124362       -0.0009689801        0.0614922396
C7         -1.8317454948        0.4166184262       -0.7899949483
C2         -2.7040456353        1.3931867490       -0.4478701010
C1         -3.8824315284        1.7495701694       -1.3127020450
O1B        -4.6332329324        2.6510666184       -0.9775381209
O1A        -4.0845539941        1.1429240174       -2.3522495390
C3         -2.5448726394        2.1759360990        0.8494284212
C4         -1.5755375676        1.4995091363        1.8464220532
N4         -1.2868923740        2.4154974932        2.9761294081
HAB        -0.6220640615        1.9382305952        3.5899017121
HAA        -0.7534242446        3.2093308402        2.6117077026
C5         -0.2782748169        1.0690908565        1.1131026068
N5          0.7764825269        0.5644647582        2.0243914668
HAD         0.7417263355       -0.4100937379        2.2825223847
C10         1.8263373881        1.2841858029        2.4668823362
C11         2.8102131220        0.5203526997        3.3296319412
O10         1.9566418106        2.4646953636        2.1871876561
HM1        -2.1784409383        3.1783144053        0.6142874274
HM2        -3.5100851137        2.2999516960        1.3462493787
HM3         3.6318021743        1.1662149394        3.6495591890
HM4         3.2275804302       -0.3224464879        2.7728118644
HM5         2.3100870804        0.1281945126        4.2187450113
HM6        -2.0597997993        0.5988213610        2.2419641240
HM7        -1.9629531968       -0.1338101476       -1.7194886791
HM8         0.1042657190        1.9398304349        0.5702739070
HM9         1.8484510346       -4.0268878973       -2.0007947753
HM10        1.5712452186       -4.6486177201       -0.3728634937
HM11        0.1912745947       -4.2245000356       -1.3960937048
HM12        0.6928690749       -2.5186266110        0.4007748370
HM13        2.2692600980       -2.2308330797       -0.3181174390
HM14       -0.3939350306       -1.7958331320       -1.7997782133
HM15        2.4650017558       -0.9189123771       -2.5060706534
HM16        1.5605028968       -2.1895704907       -3.3202694119
HM17       -0.1842625885       -0.5260698319       -4.0188581609
HM18        1.4238485676       -0.1289802481       -4.6432679857
HM19        0.7680976178        0.7695946141       -3.2692032986
HM20       -0.8815996913       -0.9375841671        0.5772252070
           43
Energy of minimum      4=      -67.5412848715 first found at step       91
C82         2.5673834557        0.1258774044        2.0904948485
C81         1.3964084603       -0.5592194042        2.8202199526
C8          0.0031596026       -0.0483398813        2.3683409903
C9         -1.0958850594       -0.6787684242        3.2593493199
C91        -2.5027271247       -0.1418015383        2.9312125188
O7         -0.2492971390       -0.4375129549        0.9855873346
C6         -0.0584529849        0.5691398386       -0.0450487031
C7         -1.2208606548        1.5471549797       -0.0137608456
C2         -1.8671428257        1.9980144654       -1.1141096940
C1         -2.9911789159        2.9945521112       -1.0269016502
O1B        -3.5616788007        3.3595956511       -2.0418307714
O1A        -3.3378252883        3.4334550390        0.0578356724
C3         -1.4699593198        1.5338932111       -2.5091503214
C4         -0.0739569273        0.8715634304       -2.5446923396
N4          0.1606451398        0.2511959682       -3.8710469446
HAB         1.0766590256       -0.2029328176       -3.8355006901
HAA        -0.4942533818       -0.5280221644       -3.9776873129
C5          0.0455822990       -0.1677188212       -1.4002800183
N5          1.2861344393       -0.9763344733       -1.4692589241
HAD         2.1289558267       -0.5698397907       -1.0934801940
C10         1.3616465866       -2.2407937403       -1.9293282655
C11         2.7318589804       -2.8793738874       -1.8267913092
O10         0.3897403055       -2.8122851268       -2.3957347946
HM1        -2.2165855014        0.8230312167       -2.8717936980
HM2        -1.4645475405        2.3729049253       -3.2090247741
HM3         3.4630809618       -2.3019057252       -2.3979948114
HM4         2.7161699392       -3.9009895161       -2.2147979550
HM5         3.0589579534       -2.9087815683       -0.7843185516
HM6         0.6824866716        1.6485132616       -2.3825306399
HM7        -1.5138047851        1.9016239600        0.9716681577
HM8        -0.8195914009       -0.8354699114       -1.4685142586
HM9         2.4922435555        1.2126342760        2.1723756260
HM10        3.5163272699       -0.1853717407        2.5327355048
HM11        2.5855467711       -0.1488160607        1.0349982942
HM12        1.4628974148       -1.6406311567        2.6749329864
HM13        1.5112719880       -0.3734221609        3.8910786391
HM14       -0.0378623734        1.0403991217        2.4749059188
HM15       -1.0882502077       -1.7662853208        3.1479310607
HM16       -0.8799720629       -0.4610076592        4.3083660923
HM17       -2.5395736028        0.9426700545        3.0560576141
HM18       -3.2400841485       -0.5875119147        3.6024255579
HM19       -2.7868161608       -0.3862503718        1.9053146440
HM20        0.8731495596        1.1131672164        0.1377467344
           43
Energy of minimum      5=      -67.3979669989 first found at step       36
C82         2.6542470892       -1.9662752785        0.5899119319
C81         2.9675439190       -0.5079045741        0.9768889949
C8          1.9497534973        0.4826010143        0.3585510994
C9          2.3915640339        1.9614904635        0.5403071681
C91         2.4676242163        2.4207679409        2.0122306655
O7          0.6486443180        0.2583373093        0.9774586369
C6         -0.5238986798        0.7458281903        0.2734786664
C7         -1.4630428011        1.2856315116        1.3340942457
C2         -2.7896024079        1.0252557121        1.3905106901
C1         -3.6744980485        1.6153553324        2.4547252273
O1B        -4.8625924647        1.3388621887        2.4818304733
O1A        -3.2040536122        2.3630856156        3.2968863190
C3         -3.4604832904        0.1349182624        0.3543303936
C4         -2.6058275446       -0.0391840845       -0.9209304857
N4         -3.2179055153       -1.0609846657       -1.8044790761
HAB        -2.6025871932       -1.1692821043       -2.6144750944
HAA        -3.1624140166       -1.9665384759       -1.3309729149
C5         -1.1497003223       -0.4151476587       -0.5404236228
N5         -0.3236542302       -0.7639497203       -1.7214245232
HAD         0.0173924726       -0.0060149329       -2.2942775215
C10         0.0153471505       -2.0175408982       -2.0842332490
C11         0.9058507584       -2.1122236288       -3.3060515208
O10        -0.3767720781       -2.9926466597       -1.4654116877
HM1        -3.6530011718       -0.8449319327        0.7982733309
HM2        -4.4288815102        0.5457692681        0.0590432219
HM3         0.4082596220       -1.6705770676       -4.1730464204
HM4         1.1444097974       -3.1538809726       -3.5351518843
HM5         1.8403101502       -1.5714760081       -3.1360066679
HM6        -2.5832975147        0.9177796402       -1.4555130763
HM7        -0.9957315083        1.9312567055        2.0758425776
HM8        -1.1991626330       -1.2800638676        0.1291967328
HM9         2.6793562265       -2.0903562164       -0.4949327129
HM10        3.3954592744       -2.6386418049        1.0273916050
HM11        1.6679875209       -2.2641794356        0.9527239209
HM12        2.9713614873       -0.4213981073        2.0660412990
HM13        3.9733220488       -0.2629466788        0.6265345776
HM14        1.8860969640        0.2741081112       -0.7129196917
HM15        3.3718115183        2.0998057691        0.0775913214
HM16        1.7040420395        2.6172336025        0.0016749761
HM17        1.5049467940        2.2986661284        2.5127628125
HM18        2.7400560588        3.4774218568        2.0579450373
HM19        3.2226745518        1.8570474360        2.5635080884
HM20       -0.2509549661        1.5649227146       -0.3994838639
           43
Energy of minimum      6=      -67.2887572012 first found at step       51
C82        -1.2307995276       -2.8892014042       -0.8466840270
C81        -2.0945562859       -1.7773077719       -0.2141328188
C8         -1.9462444723       -0.3906071319       -0.9051865130
C9         -2.3106674316       -0.3916878924       -2.4130143831
C91        -3.7736418518       -0.7983759982       -2.6796785541
O7         -0.5715185382        0.0779028482       -0.7886038125
C6         -0.1808939497        0.6774299531        0.4745329690
C7         -0.6259918502        2.1290663824        0.4791584048
C2          0.1393108405        3.1568262032        0.9146851021
C1         -0.3613036100        4.5755943338        0.9258752523
O1B         0.3681942095        5.4760200879        1.3076346331
O1A        -1.4933362910        4.8281071827        0.5459536166
C3          1.5509200892        2.9239987835        1.4374045609
C4          1.8291559380        1.4414087252        1.7758311304
N4          3.2709710572        1.2476790825        2.0628935590
HAB         3.4111866277        0.2516070215        2.2490839334
HAA         3.7914143984        1.4088425768        1.1964791547
C5          1.3515351858        0.5338970522        0.6122001869
N5          1.7309711458       -0.8889823884        0.7839320208
HAD         1.1324142113       -1.4649572547        1.3562725090
C10         2.7755899053       -1.4898015143        0.1804995323
C11         2.9212650216       -2.9697530500        0.4715138429
O10         3.5421553028       -0.8706564898       -0.5389920397
HM1         2.2671811390        3.2629157811        0.6847943069
HM2         1.7323327147        3.5166623129        2.3372288713
HM3         3.0465161685       -3.1344568917        1.5446317919
HM4         3.7887649672       -3.3855504832       -0.0471596956
HM5         2.0297340431       -3.5108270899        0.1450670294
HM6         1.2557105848        1.1781608928        2.6725124450
HM7        -1.6340376130        2.3143908629        0.1134924094
HM8         1.7969867656        0.9146851851       -0.3128256085
HM9        -0.1779234339       -2.6018940267       -0.8723024607
HM10       -1.3178443676       -3.8069317062       -0.2610256042
HM11       -1.5571978500       -3.1106559332       -1.8646485526
HM12       -3.1415339893       -2.0869519113       -0.2316911720
HM13       -1.8284015349       -1.6875488449        0.8410308089
HM14       -2.6085056600        0.3205890428       -0.4017329855
HM15       -2.1605082934        0.6161779763       -2.8083781635
HM16       -1.6423385506       -1.0513818124       -2.9711652344
HM17       -3.9480352965       -1.8429004977       -2.4139880148
HM18       -4.0073653883       -0.6789462023       -3.7398901089
HM19       -4.4594716559       -0.1709158374       -2.1058182667
HM20       -0.6601928745        0.1483298460        1.3042099444
           43
Energy of minimum      7=      -67.1538362147 first found at step      114
C82        -2.6455868424        0.7520640654        2.0897257182
C81        -1.2048685309        1.0984231886        2.5233008062
C8         -0.3682371778        1.8170107551        1.4286955982
C9         -0.9741833229        3.1876912731        1.0370807142
C91        -0.0289783126        3.9893768623        0.1210623672
O7         -0.2784861051        0.9872175468        0.2333014595
C6          0.6950148556       -0.0897396157        0.2491064218
C7          2.0609922789        0.4884172542       -0.0772706747
C2          2.9419589712       -0.0780231919       -0.9341863527
C1          4.2958830921        0.5227438075       -1.1989960301
O1B         5.0524579858       -0.0085764419       -1.9952243388
O1A         4.6356190384        1.5443865012       -0.6242616723
C3          2.6123480940       -1.3735359113       -1.6639173384
C4          1.4225578996       -2.1332439790       -1.0325830660
N4          1.0272241925       -3.2673669521       -1.9067343822
HAB         0.7265089634       -2.8972778372       -2.8120093152
HAA         1.8540080644       -3.8362825609       -2.1094308720
C5          0.2464927151       -1.1516968569       -0.7809718188
N5         -0.9947629583       -1.8272364288       -0.3352972914
HAD        -1.0194361810       -2.1807040226        0.6077947790
C10        -2.0818635058       -2.0362006538       -1.1034333480
C11        -3.2148499601       -2.7767150590       -0.4205462589
O10        -2.1401429755       -1.6481254519       -2.2597061813
HM1         2.3810435674       -1.1416821329       -2.7067238601
HM2         3.4772578971       -2.0413739529       -1.6710622545
HM3        -4.0628016590       -2.9030428787       -1.0984429046
HM4        -3.5541614245       -2.2246825961        0.4595398584
HM5        -2.8806485699       -3.7651133868       -0.0952275337
HM6         1.7458511939       -2.5348073000       -0.0648284783
HM7         2.3177879243        1.4116422552        0.4380495420
HM8         0.0504628273       -0.6267360626       -1.7209503937
HM9        -3.2277598313        1.6555533305        1.8983539624
HM10       -2.6485596022        0.1376563431        1.1876669958
HM11       -3.1480002925        0.1925023261        2.8817373926
HM12       -1.2479707462        1.7322487008        3.4123865414
HM13       -0.6973653900        0.1800486720        2.8262417931
HM14        0.6358277416        1.9931624147        1.8267890771
HM15       -1.9318109583        3.0520059468        0.5288395074
HM16       -1.1638485082        3.7725822511        1.9405648350
HM17        0.9329159501        4.1561396321        0.6113196131
HM18       -0.4672639420        4.9621720822       -0.1123799333
HM19        0.1463445683        3.4606845990       -0.8185717250
HM20        0.7230289757       -0.5515665347        1.2411990411
           43
Energy of minimum      8=      -67.1212040989 first found at step       97
C82         0.2396326386       -2.0937491722       -2.4742828055
C81         1.4382002139       -1.1292664108       -2.5557057404
C8          1.1289057679        0.2898589401       -2.0098631418
C9          2.3349023928        1.2244257575       -2.2783240187
C91         2.0615752012        2.6797996836       -1.8510103649
O7          0.9020205068        0.2346686629       -0.5700494320
C6         -0.4745444572        0.2532936432       -0.1038398498
C7         -1.0165157162        1.6688217252       -0.2060091776
C2         -1.7285357424        2.2855751824        0.7651591093
C1         -2.2712611501        3.6786249896        0.5938634540
O1B        -2.8912041309        4.2071162122        1.5022849175
O1A        -2.0875787189        4.2835128527       -0.4501081408
C3         -2.0393431541        1.5857681165        2.0809401253
C4         -1.8484381896        0.0536417955        2.0083997000
N4         -1.9420925920       -0.5269744592        3.3708020148
HAB        -2.8980484731       -0.4070240353        3.7182915187
HAA        -1.8103904279       -1.5390230559        3.2952459849
C5         -0.4883784109       -0.2834651252        1.3475569119
N5         -0.1755315835       -1.7329057001        1.3735147292
HAD        -0.8440046741       -2.3614409160        0.9553575585
C10         0.9723364937       -2.2703475464        1.8331193782
C11         1.0881863909       -3.7713907922        1.6576665634
O10         1.8429734750       -1.5917629994        2.3539875449
HM1        -1.3876610721        1.9916053835        2.8588058591
HM2        -3.0673286208        1.7857393749        2.3922036400
HM3         0.2726989681       -4.2788507414        2.1791493135
HM4         2.0370257601       -4.1389983331        2.0565489781
HM5         1.0322922113       -4.0344050403        0.5982574868
HM6        -2.6453285765       -0.3696764343        1.3854060754
HM7        -0.8164951716        2.1832668347       -1.1430303601
HM8         0.2787219905        0.2614760222        1.9061088591
HM9        -0.6388926146       -1.6616050677       -2.9588483677
HM10        0.4807504665       -3.0323310901       -2.9781164468
HM11       -0.0071014148       -2.3260864458       -1.4375238669
HM12        2.2862161468       -1.5602819390       -2.0170422775
HM13        1.7346417148       -1.0481048032       -3.6045279946
HM14        0.2494837603        0.6938582113       -2.5216921640
HM15        3.2194449194        0.8528659736       -1.7541576197
HM16        2.5670143005        1.2170989171       -3.3463095266
HM17        1.1919684952        3.0788227246       -2.3779159817
HM18        2.9224628433        3.3083524592       -2.0891121012
HM19        1.8806691767        2.7460957084       -0.7759324487
HM20       -1.0834489430       -0.4065990635       -0.7292678956
           43
Energy of minimum      9=      -67.0188036997 first found at step       94
C82         0.6574507072        4.0546890225        0.8906371865
C81         0.1424772702        2.7774623887        0.1974938151
C8          1.2591375010        1.7223697241       -0.0312713514
C9          2.2963718734        2.1897000762       -1.0845474711
C91         3.4132680185        1.1490442515       -1.3010235550
O7          0.6472255039        0.4892049319       -0.5078275821
C6          0.0950492368       -0.4002621152        0.4976046476
C7          1.2185570949       -1.2542621456        1.0561608066
C2          1.1241890020       -2.5862371012        1.2744032860
C1          2.2595006705       -3.3808194968        1.8606263174
O1B         2.1410293169       -4.5843643135        2.0225902161
O1A         3.3011565611       -2.8244550985        2.1688383128
C3         -0.1525707638       -3.3512072680        0.9512217957
C4         -1.3797632967       -2.4302925663        0.7581057127
N4         -2.5132738425       -3.2138403228        0.2077694352
HAB        -2.8162133076       -3.8968977303        0.9082551760
HAA        -3.3091394727       -2.5812007807        0.0902459495
C5         -1.0166498255       -1.2428497048       -0.1683630028
N5         -2.1818938279       -0.3899529212       -0.5068416337
HAD        -2.6788856949        0.0440525421        0.2558135598
C10        -2.5746454314       -0.0741006639       -1.7572180454
C11        -3.7394836701        0.8925722999       -1.8346122969
O10        -2.0294839091       -0.5403942641       -2.7447506365
HM1         0.0064484410       -3.9307335969        0.0383331373
HM2        -0.3854753430       -4.0662774073        1.7437579833
HM3        -3.4814885708        1.8363667169       -1.3474191323
HM4        -4.6138499291        0.4749483217       -1.3290747590
HM5        -4.0059593176        1.1003805360       -2.8740161696
HM6        -1.6692680627       -2.0243872250        1.7347320387
HM7         2.1378694163       -0.7236462080        1.2961963010
HM8        -0.6010428020       -1.6702272133       -1.0859790404
HM9         1.3534853594        4.6009826393        0.2514689339
HM10       -0.1792280959        4.7190666503        1.1177162845
HM11        1.1613371712        3.8083178326        1.8280746597
HM12       -0.6445270638        2.3520262903        0.8238991767
HM13       -0.3190539244        3.0450900699       -0.7565819178
HM14        1.7786038754        1.5305223324        0.9131370278
HM15        1.7988433799        2.3931139682       -2.0364103174
HM16        2.7635609710        3.1205862106       -0.7576842240
HM17        3.9231540482        0.9306141567       -0.3598949005
HM18        4.1514146068        1.5326198990       -2.0087997904
HM19        3.0106305330        0.2170009538       -1.7037363713
HM20       -0.3488644070        0.1856763287        1.3089704378
           43
Energy of minimum     10=      -66.9138847720 first found at step      307
C82        -1.9882913861       -2.8949719987        2.3642630153
C81        -1.0280693399       -2.0403891881        1.5130425084
C8         -1.7580204426       -1.2242957942        0.4082464746
C9         -2.5644054175       -2.0934622646       -0.5948416798
C91        -1.7199305645       -3.1552379680       -1.3320516865
O7         -0.7828242157       -0.4545110094       -0.3529366643
C6         -0.2843748432        0.7710050794        0.2443362769
C7         -1.2892343966        1.8810320295       -0.0054283695
C2         -0.9527150763        3.1375967995       -0.3791614281
C1         -1.9852320019        4.2123591905       -0.5847626417
O1B        -1.6411093053        5.3272545758       -0.9414930735
O1A        -3.1671521254        3.9683984973       -0.4026955148
C3          0.5020660990        3.5348890651       -0.5962958236
C4          1.5009150753        2.5193230454        0.0055864021
N4          2.8793529242        2.8366820264       -0.4390763764
HAB         3.4965187299        2.1236626929       -0.0425209704
HAA         2.9330926947        2.6701584222       -1.4475160277
C5          1.0905651922        1.0768081430       -0.3897273296
N5          2.0855264124        0.0499460729        0.0016912210
HAD         2.0311685187       -0.3174731532        0.9396008901
C10         3.0009029899       -0.4948285967       -0.8236860524
C11         3.8539546931       -1.5842587119       -0.2062840713
O10         3.1228616796       -0.1227535707       -1.9793056395
HM1         0.6860052175        3.6283599159       -1.6695017842
HM2         0.7051823020        4.5130511415       -0.1537976417
HM3         4.4072491865       -1.1926192197        0.6509881138
HM4         4.5703708395       -1.9771588998       -0.9321441993
HM5         3.2242511778       -2.4074486308        0.1407071285
HM6         1.4590595356        2.5996003412        1.0982898456
HM7        -2.3335033232        1.6164649498        0.1484898319
HM8         0.9595702346        1.0520537336       -1.4766572946
HM9        -2.4433789479       -3.6899731256        1.7702443974
HM10       -2.7818468938       -2.2758319930        2.7889071048
HM11       -1.4427201110       -3.3625210778        3.1868827567
HM12       -0.5090536390       -1.3557480430        2.1867599430
HM13       -0.2640102724       -2.6840976940        1.0711038561
HM14       -2.4604787329       -0.5349893035        0.8869767803
HM15       -3.3893641009       -2.5874814953       -0.0770342890
HM16       -3.0225681276       -1.4350903372       -1.3372469782
HM17       -2.3369100907       -3.6753450616       -2.0680175385
HM18       -1.3288726116       -3.9013023726       -0.6375915631
HM19       -0.8817899567       -2.6937319317       -1.8587706244
HM20       -0.1527575794        0.6368757193        1.3224287156
           43
Energy of minimum     11=      -66.8360690687 first found at step       77
C82        -0.4097099789       -2.7582428816        1.7103086703
C81         0.9399382482       -2.1217478100        2.0970765455
C8          1.3287990425       -0.9554634016        1.1524001429
C9          2.7129592257       -0.3503662412        1.5145880323
C91         3.8829139109       -1.3082936388        1.2127468144
O7          0.3120660051        0.0822248573        1.2705679570
C6          0.1971995552        1.0358881336        0.1815891462
C7         -0.0441803766        2.3877406206        0.8233980594
C2         -0.9853309449        3.2721540207        0.4198966807
C1         -1.1574441979        4.6123528189        1.0816786607
O1B        -2.0319254741        5.3727920120        0.6999640913
O1A        -0.4296408981        4.9363638456        2.0063376313
C3         -1.9064366255        2.9599305508       -0.7509442369
C4         -1.3729506591        1.8113781071       -1.6361972704
N4         -2.3965832260        1.4277866766       -2.6382992391
HAB        -2.0162178142        0.6453457335       -3.1763637313
HAA        -3.1925407476        1.0197550621       -2.1409756655
C5         -0.9606138634        0.6042542967       -0.7532283476
N5         -0.5998119152       -0.5915349508       -1.5524490550
HAD         0.3099329714       -0.6055746937       -1.9894968864
C10        -1.3932212069       -1.6661054311       -1.7361644127
C11        -0.7819392243       -2.7805122645       -2.5603429860
O10        -2.5184432682       -1.7198590722       -1.2687092090
HM1        -2.8933870844        2.6921055212       -0.3656284307
HM2        -2.0407114467        3.8404152049       -1.3838139606
HM3         0.1333564295       -3.1435751801       -2.0860218921
HM4        -0.5284134676       -2.4178491797       -3.5596068325
HM5        -1.4768479845       -3.6181084950       -2.6602376784
HM6        -0.4815228645        2.1682366661       -2.1654224426
HM7         0.6155560850        2.6247910722        1.6567684963
HM8        -1.8133557912        0.3610975069       -0.1108058156
HM9        -0.3719424068       -3.1474708856        0.6906926075
HM10       -0.6395119574       -3.5875327302        2.3828714398
HM11       -1.2225654450       -2.0318454385        1.7777190600
HM12        0.8916474691       -1.7658374373        3.1294968160
HM13        1.7017020379       -2.9025859072        2.0593715626
HM14        1.3523353019       -1.3288369480        0.1245547371
HM15        2.8772555257        0.5658787362        0.9434381729
HM16        2.7345777861       -0.0753704945        2.5722609817
HM17        3.8499046364       -2.1914593904        1.8532690906
HM18        4.8344627739       -0.8023978907        1.3905898812
HM19        3.8582469061       -1.6306489974        0.1692493054
HM20        1.1323949584        1.0807279170       -0.3861264907
           43
Energy of minimum     12=      -66.7964192787 first found at step       37
C82         0.8140358895        0.5078328441       -3.2974303101
C81         1.0482891938       -0.9560969826       -2.8783323146
C8          1.0725400474       -1.1199758074       -1.3378472256
C9          1.5503642103       -2.5378571451       -0.9153123066
C91         0.6164957900       -3.6803609814       -1.3691810203
O7         -0.2642108588       -0.8502346751       -0.8191633435
C6         -0.3908674814       -0.5595780860        0.5985749297
C7         -1.6548710383       -1.2537960825        1.0654251547
C2         -2.5952964451       -0.6872942498        1.8556331386
C1         -3.8160962936       -1.4406460291        2.3095383360
O1B        -4.6502767246       -0.8863437780        3.0064430691
O1A        -3.9776245615       -2.6032962683        1.9751391195
C3         -2.4496590892        0.7454786032        2.3470371082
C4         -1.0034543943        1.2764517827        2.2249942886
N4         -0.9790291721        2.7293409952        2.5246628973
HAB        -1.2186364565        2.8694503999        3.5103523628
HAA        -0.0127972150        3.0533764307        2.4355303750
C5         -0.4372656645        0.9755027447        0.8123725520
N5          0.8907401233        1.5964945343        0.5863290209
HAD         1.6753889754        1.2186336821        1.0959730907
C10         1.1326089518        2.6287198989       -0.2474237907
C11         2.5822047922        3.0647075460       -0.3177231577
O10         0.2456686672        3.1604155779       -0.8946316599
HM1        -3.1178411908        1.3880374079        1.7681488531
HM2        -2.7556792022        0.8288786853        3.3925350035
HM3         2.7055915576        3.8996915617       -1.0120520084
HM4         3.2104079290        2.2367566055       -0.6560749931
HM5         2.9324619898        3.3786300469        0.6687757569
HM6        -0.3775431346        0.7547718942        2.9587683268
HM7        -1.7663572444       -2.2824316086        0.7267325389
HM8        -1.1516460132        1.3813280062        0.0895560802
HM9         1.6031374213        1.1517235901       -2.9029058994
HM10        0.8178853476        0.5919957713       -4.3863633770
HM11       -0.1492656533        0.8698659040       -2.9314569937
HM12        0.2663499496       -1.5809027295       -3.3164681880
HM13        2.0024938957       -1.2882929016       -3.2948881488
HM14        1.7753154203       -0.3872216243       -0.9316554874
HM15        2.5469678638       -2.7146154387       -1.3272330429
HM16        1.6580828491       -2.5809153864        0.1705388399
HM17       -0.3939528519       -3.5411709975       -0.9798138417
HM18        0.9922079212       -4.6364835198       -0.9983655840
HM19        0.5665536581       -3.7410051275       -2.4580371441
HM20        0.4565782413       -0.9795650936        1.1492989951
           43
Energy of minimum     13=      -66.7417251676 first found at step       55
C82         0.4741390082        1.3156658579        2.9529960330
C81        -0.1655622188        2.0736709485        1.7704487912
C8         -1.3308795731        1.3053477302        1.0815768469
C9         -2.4963648462        0.9329899874        2.0354314754
C91        -3.1706930675        2.1646135174        2.6720635435
O7         -0.8323596064        0.0683170846        0.4935811845
C6         -0.1644143229        0.1691734191       -0.7921407453
C7         -1.2203850311        0.2177762658       -1.8823701865
C2         -1.1618823985       -0.4932430611       -3.0320986771
C1         -2.2230213394       -0.3824395736       -4.0931476820
O1B        -2.1434547373       -1.0559339446       -5.1074411719
O1A        -3.1674437316        0.3748455673       -3.9375080812
C3          0.0000234795       -1.4341792391       -3.3204640643
C4          1.2264212432       -1.1752626966       -2.4156087660
N4          2.2159676422       -2.2673478601       -2.5880982534
HAB         2.5895538547       -2.2297146620       -3.5409508863
HAA         3.0149819923       -2.0694056656       -1.9801673862
C5          0.7818820340       -1.0452695902       -0.9367170333
N5          1.9232915244       -0.9359739246        0.0043185901
HAD         2.5185104657       -0.1259610511       -0.0773848588
C10         2.1997294781       -1.8076827186        0.9949670423
C11         3.4020200610       -1.4472125392        1.8449581545
O10         1.5284280002       -2.8095803961        1.1822719078
HM1        -0.3374092506       -2.4641418844       -3.1796928277
HM2         0.3204718174       -1.3450308558       -4.3611630237
HM3         3.2647897357       -0.4636424395        2.3011714094
HM4         4.3047601369       -1.4146053000        1.2298192794
HM5         3.5508914931       -2.1806721986        2.6414387747
HM6         1.6884526321       -0.2274329214       -2.7164581430
HM7        -2.0568942329        0.8887763321       -1.6978124432
HM8         0.2014687966       -1.9419411133       -0.6991240120
HM9         0.8097923674        0.3231381567        2.6473920377
HM10        1.3402274964        1.8675958640        3.3245649933
HM11       -0.2314850114        1.2063826967        3.7788380638
HM12       -0.5227085484        3.0438701173        2.1221020233
HM13        0.6115418420        2.2909792080        1.0347479298
HM14       -1.7393583438        1.9373163882        0.2869029248
HM15       -3.2530380809        0.3879481837        1.4652821326
HM16       -2.1506021919        0.2598091015        2.8233060108
HM17       -2.4891352048        2.6817773748        3.3503505886
HM18       -4.0459495061        1.8556613571        3.2477514109
HM19       -3.4987003317        2.8663479412        1.9017592977
HM20        0.4343964742        1.0846705362       -0.8296922040
           43
Energy of minimum     14=      -66.4827170103 first found at step       79
C82        -0.7990916852       -1.6793685792        2.7094244116
C81         0.1287348478       -0.5380548914        3.1665180872
C8          0.8563100486        0.1498323066        1.9839630912
C9          1.8613612363        1.1933419732        2.5452299443
C91         2.7722118104        1.8292342324        1.4775381123
O7         -0.1527701967        0.8012553816        1.1552768010
C6          0.0892407949        0.9191987184       -0.2728376296
C7         -0.4931904791        2.2605664280       -0.6752496334
C2         -1.2967376021        2.4631363469       -1.7443286432
C1         -1.8225168263        3.8267546635       -2.1021124434
O1B        -2.5609304068        3.9625215339       -3.0638963956
O1A        -1.5198714480        4.7963627904       -1.4254010817
C3         -1.6834404537        1.3127880406       -2.6607008838
C4         -0.7317518752        0.1051942120       -2.5177031900
N4         -1.2419149763       -1.0335414025       -3.3187612368
HAB        -0.5966433712       -1.8145523646       -3.1798480742
HAA        -2.1119028476       -1.3586966073       -2.8888035942
C5         -0.5660572750       -0.2723925825       -1.0200519100
N5          0.2107913616       -1.5226272491       -0.8380745346
HAD         1.2175735511       -1.4569299092       -0.8663046533
C10        -0.3253301933       -2.7469110891       -0.6586880359
C11         0.6791860312       -3.8677491639       -0.4862462730
O10        -1.5321961689       -2.9218019309       -0.6426163729
HM1        -2.7052546987        1.0001081927       -2.4318852820
HM2        -1.6736923998        1.6295688255       -3.7063275945
HM3         0.1736731115       -4.8232782990       -0.3254633224
HM4         1.3258472135       -3.6685556968        0.3720270606
HM5         1.3085493730       -3.9524316527       -1.3756432592
HM6         0.2513379641        0.3930624341       -2.9086059184
HM7        -0.2136978539        3.0929845978       -0.0312631164
HM8        -1.5672950802       -0.4070529415       -0.5975973777
HM9        -1.5694977416       -1.3120685605        2.0280329992
HM10       -1.2951167109       -2.1275430882        3.5730982132
HM11       -0.2251880724       -2.4594914609        2.2060644936
HM12       -0.4539337281        0.2000102902        3.7241820945
HM13        0.8673750939       -0.9527396296        3.8571523193
HM14        1.3929776260       -0.6111071432        1.4098987128
HM15        1.3218493039        1.9828097152        3.0749710368
HM16        2.5043371389        0.7016856643        3.2796784488
HM17        3.5427208851        2.4355461976        1.9588536430
HM18        2.2033318931        2.4827285795        0.8140793630
HM19        3.2673235833        1.0594816950        0.8811405409
HM20        1.1632892230        0.9287214225       -0.4787189172
           43
Energy of minimum     15=      -66.4590481320 first found at step       30
C82        -2.2818865143       -0.8686265558        2.0634712016
C81        -2.2595624346        0.6715179674        2.0168441275
C8         -0.8725308025        1.2344321587        1.6103172809
C9         -0.8516925346        2.7841037620        1.5962138356
C91        -0.9335498564        3.3969781877        3.0085778502
O7         -0.5457042704        0.7799792552        0.2649675085
C6          0.5844573801       -0.1225923899        0.1309761102
C7          1.8739709629        0.6524904230        0.3472299672
C2          2.9784713428        0.5240196837       -0.4243828884
C1          4.2408988843        1.2935478350       -0.1447508152
O1B         5.2080695677        1.1643335414       -0.8773020491
O1A         4.2965857224        2.0527698859        0.8091917255
C3          3.0067038498       -0.4302662380       -1.6109183913
C4          1.8613710884       -1.4673173591       -1.5728870814
N4          1.8123053773       -2.2173395122       -2.8512644810
HAB         1.0204888983       -2.8626135836       -2.7938080301
HAA         1.5429073267       -1.5651322761       -3.5925489098
C5          0.5150092466       -0.7572059526       -1.2773141655
N5         -0.6580027491       -1.6557475567       -1.3954482258
HAD        -0.8689622603       -2.2520880508       -0.6099131009
C10        -1.5063203923       -1.6884950894       -2.4421214766
C11        -2.6730922287       -2.6434169118       -2.2919423063
O10        -1.3299181387       -0.9973228781       -3.4320140354
HM1         2.9377460856        0.1505232485       -2.5340815124
HM2         3.9540387489       -0.9734075336       -1.6479721875
HM3        -3.3153997279       -2.6165806827       -3.1758024536
HM4        -3.2727022395       -2.3744102728       -1.4186188711
HM5        -2.3114307177       -3.6657614694       -2.1561668307
HM6         2.0614297364       -2.1745104644       -0.7592538824
HM7         1.8795901948        1.3336272890        1.1956745588
HM8         0.4099518058        0.0640359746       -1.9939685467
HM9        -1.5059735358       -1.2458545721        2.7335962380
HM10       -3.2497375362       -1.2184823432        2.4292471364
HM11       -2.1243096431       -1.2928762017        1.0706636982
HM12       -3.0250773904        1.0242238443        1.3208769890
HM13       -2.5301425358        1.0402745244        3.0080079380
HM14       -0.1181785087        0.8762780954        2.3188319057
HM15        0.0763458118        3.1259715847        1.1311853481
HM16       -1.6757678613        3.1648284684        0.9872157242
HM17       -1.8955681302        3.1846492674        3.4785850362
HM18       -0.8210365339        4.4819110756        2.9517564158
HM19       -0.1378926672        3.0046119495        3.6460476812
HM20        0.5040971791       -0.9150601283        0.8830019642
           43
Energy of minimum     16=      -66.3909809106 first found at step      379
C82         3.1155024103        0.4302911141       -2.7251313022
C81         2.1913325018        0.2265662159       -1.5080398857
C8          0.9290424514        1.1353846052       -1.5445265492
C9          1.2431883603        2.6556656833       -1.5959308301
C91         2.1064863702        3.1630790886       -0.4205667218
O7          0.1164461955        0.8864984931       -0.3611101844
C6         -0.7182296863       -0.3012840709       -0.3636931780
C7         -2.0136414942        0.0177768365       -1.0868509445
C2         -3.2389964038       -0.3529082315       -0.6487132029
C1         -4.4910763189       -0.0383369865       -1.4214886763
O1B        -5.5788448770       -0.3731783078       -0.9817553817
O1A        -4.4208773700        0.5574819907       -2.4843726519
C3         -3.4124661836       -1.1281304756        0.6509436954
C4         -2.0971266008       -1.7615555976        1.1612809856
N4         -2.2896440147       -2.2752943318        2.5399086779
HAB        -2.9534263838       -3.0549104013        2.5144272014
HAA        -1.4061271873       -2.6871002430        2.8518343194
C5         -0.9474713786       -0.7246700671        1.1050800224
N5          0.3155529814       -1.2199412997        1.7044907030
HAD         0.7164925816       -2.0607735345        1.3181488098
C10         1.0227523666       -0.5820144716        2.6587014934
C11         2.3349564769       -1.2437792206        3.0294373476
O10         0.6250222219        0.4469143740        3.1810810303
HM1        -3.8024031144       -0.4505399148        1.4147141880
HM2        -4.1491909762       -1.9257342872        0.5294101777
HM3         2.1585256881       -2.2579939804        3.3964921741
HM4         2.8512597039       -0.6775789807        3.8087959806
HM5         2.9882021754       -1.3055264693        2.1552939879
HM6        -1.8338577438       -2.5984351724        0.5034857349
HM7        -1.9082973178        0.5680415436       -2.0198692541
HM8        -1.2876612612        0.1586711111        1.6540788590
HM9         3.5628956694        1.4261856824       -2.7205590172
HM10        3.9266030656       -0.3009147464       -2.7048154671
HM11        2.5604998269        0.2990053150       -3.6568629212
HM12        1.8846410143       -0.8212555809       -1.4974900021
HM13        2.7582467242        0.3956995380       -0.5895611597
HM14        0.3430853522        0.8885584487       -2.4355279631
HM15        1.7405955457        2.8991680163       -2.5372495695
HM16        0.2997283045        3.2074507947       -1.5996337485
HM17        1.6386009956        2.9318323830        0.5388415200
HM18        2.2243472473        4.2468412688       -0.4869071435
HM19        3.1028940664        2.7174398587       -0.4405670315
HM20       -0.2075619850       -1.1166959903       -0.8852241224
           43
Energy of minimum     17=      -66.3446719146 first found at step        3
C82         1.8449557357       -1.8664896903        1.8866338778
C81         0.3900220808       -2.3710780774        1.9353588889
C8         -0.6419225275       -1.2189000843        1.8200869234
C9         -2.0867177628       -1.6917279198        2.1289566644
C91        -2.6188602430       -2.7752962095        1.1661178127
O7         -0.6091780456       -0.6597867343        0.4746003400
C6         -0.0249824988        0.6605824869        0.3236112841
C7         -1.0130440924        1.6981011996        0.8281313821
C2         -1.2956586688        2.8554917154        0.1868459996
C1         -2.2601886860        3.8641196298        0.7494355410
O1B        -2.5030752518        4.8866717769        0.1295997781
O1A        -2.8051117590        3.6583630927        1.8219803593
C3         -0.6322242027        3.2069127098       -1.1379353253
C4          0.6248546891        2.3557977938       -1.4306546424
N4          1.0663503736        2.5800922976       -2.8294885692
HAB         1.3873725852        3.5479293600       -2.9256287155
HAA         1.8964377800        2.0054788334       -2.9971285178
C5          0.3289773459        0.8576110356       -1.1693436056
N5          1.4478228289       -0.0321335013       -1.5643733223
HAD         2.3496455980        0.1399627868       -1.1473365314
C10         1.3354667902       -1.1083986079       -2.3686039232
C11         2.6090941019       -1.9121816773       -2.5394948118
O10         0.2850148044       -1.4010758890       -2.9169181491
HM1        -1.3569295118        3.0630579524       -1.9433002348
HM2        -0.3418712113        4.2600016731       -1.1573449671
HM3         2.9504213267       -2.2914813735       -1.5729452011
HM4         3.4001616943       -1.2857401188       -2.9593284984
HM5         2.4478278269       -2.7617461708       -3.2079035974
HM6         1.4257065241        2.6690395779       -0.7503072877
HM7        -1.4941751439        1.4685305064        1.7767731438
HM8        -0.5598207104        0.6024617001       -1.7544168947
HM9         2.0226998102       -1.1233432216        2.6673406235
HM10        2.0713503892       -1.4178398441        0.9181412717
HM11        2.5355152098       -2.6982055837        2.0424541586
HM12        0.2403117110       -3.0992421452        1.1346100830
HM13        0.2387549492       -2.8947198905        2.8825985065
HM14       -0.3845571631       -0.4456094245        2.5514261189
HM15       -2.1274117798       -2.0757106717        3.1512700015
HM16       -2.7569097900       -0.8292897469        2.0932305063
HM17       -3.6540590153       -3.0178621487        1.4158893911
HM18       -2.0333182709       -3.6935960972        1.2421029416
HM19       -2.5940601555       -2.4282670620        0.1308660286
HM20        0.8953123351        0.7195157625        0.9143911683
           43
Energy of minimum     18=      -66.3213290669 first found at step       35
C82         3.1581167825        0.5648570149        1.6642621057
C81         2.6345726485       -0.8856831235        1.6790901164
C8          1.2322201302       -1.0099698087        1.0284122566
C9          0.7002763431       -2.4705202224        1.0566762102
C91         0.4871690557       -3.0100717714        2.4854313633
O7          1.3403906089       -0.5342474356       -0.3488308536
C6          0.1582055086       -0.3770523889       -1.1862833368
C7          0.7127897023       -0.0577263508       -2.5626620525
C2          0.3633835914        1.0106289850       -3.3146841926
C1          0.9468899146        1.2519669569       -4.6807340103
O1B         0.6194045839        2.2384261631       -5.3196881605
O1A         1.7580268056        0.4677927713       -5.1464173772
C3         -0.6817674156        1.9964958394       -2.8216729264
C4         -1.6175932548        1.3554353441       -1.7767108529
N4         -2.5703454187        2.3703699875       -1.2651201865
HAB        -3.1450349277        1.9146007458       -0.5522768521
HAA        -2.0412359831        3.0733299306       -0.7426356389
C5         -0.7901988612        0.7224670609       -0.6251619715
N5         -1.6726676363        0.1820414979        0.4390132116
HAD        -2.1198471155       -0.7068469631        0.2665979292
C10        -1.9292617137        0.7847953545        1.6174481604
C11        -2.8573836212        0.0218908116        2.5397064790
O10        -1.4355461252        1.8619414267        1.9046083341
HM1        -0.1843439012        2.8662828508       -2.3856351809
HM2        -1.2971880736        2.3603628295       -3.6477424547
HM3        -2.4392534504       -0.9615617292        2.7685489084
HM4        -3.8300749863       -0.1229133853        2.0630677552
HM5        -3.0065259779        0.5627335269        3.4776074256
HM6        -2.1871296223        0.5576451699       -2.2678807717
HM7         1.4496330848       -0.7698472640       -2.9313246044
HM8        -0.1552192508        1.5111088929       -0.2081994652
HM9         2.4554078743        1.2326445737        2.1680037630
HM10        4.1169524857        0.6225960674        2.1841185615
HM11        3.3061105653        0.9210081215        0.6424020161
HM12        3.3461849308       -1.5359244274        1.1636726463
HM13        2.5916843010       -1.2114676711        2.7199661755
HM14        0.5509081364       -0.3634843605        1.5846189853
HM15       -0.2630275582       -2.5224064400        0.5467103248
HM16        1.3873650511       -3.1293586149        0.5196656771
HM17        1.4370490002       -3.1427894176        3.0066157141
HM18       -0.0089164328       -3.9823692817        2.4463328678
HM19       -0.1408408086       -2.3300154441        3.0654837641
HM20       -0.3793389697       -1.3271658228       -1.2543998626
           43
Energy of minimum     19=      -66.2312667627 first found at step       38
C82         1.6882721615        0.7764223786       -2.8563908404
C81         2.5549092910        1.0833368113       -1.6198214181
C8          1.7082885017        1.1460923486       -0.3240243173
C9          2.5269935000        1.6912050462        0.8795391235
C91         3.7183824782        0.7985882723        1.2884171070
O7          1.1992317376       -0.1896720126       -0.0343241837
C6          0.0597702938       -0.2929597563        0.8602919551
C7          0.3101642590       -1.5067226520        1.7331809244
C2         -0.6148534435       -2.4527397380        2.0158124937
C1         -0.3124301085       -3.6217710655        2.9135348519
O1B        -1.1695552997       -4.4635419446        3.1266933798
O1A         0.7915165973       -3.7342666667        3.4216764887
C3         -2.0266259623       -2.3649774571        1.4535240779
C4         -2.3775369814       -0.9487881689        0.9426910757
N4         -3.6898146333       -0.9763889833        0.2470838491
HAB        -3.6221393680       -1.5996621858       -0.5615062401
HAA        -4.3849440748       -1.4078213202        0.8626638652
C5         -1.2404082780       -0.4207565795        0.0258691517
N5         -1.5901260126        0.8535940754       -0.6448105926
HAD        -1.6385323767        1.6828765020       -0.0738446797
C10        -1.9356862080        0.9739833386       -1.9421437536
C11        -2.2922794083        2.3804146608       -2.3801774686
O10        -1.9471258255        0.0169081284       -2.6996869315
HM1        -2.1267094970       -3.0813362293        0.6340711797
HM2        -2.7613860454       -2.6447017489        2.2124667106
HM3        -3.1434440513        2.7531739218       -1.8048706082
HM4        -2.5531215137        2.4043299684       -3.4412612277
HM5        -1.4473472550        3.0539847086       -2.2156913389
HM6        -2.4562152954       -0.2809089129        1.8087150181
HM7         1.3143259738       -1.5755517540        2.1482952283
HM8        -1.0560833202       -1.1847273094       -0.7356992822
HM9         0.9210893765        1.5426235734       -2.9883622806
HM10        2.3090360992        0.7568549670       -3.7547984244
HM11        1.1989047781       -0.1952384571       -2.7594806515
HM12        3.3324493104        0.3208127550       -1.5317264281
HM13        3.0549288679        2.0426692605       -1.7748131094
HM14        0.8698297454        1.8251655153       -0.5023670514
HM15        2.9025197880        2.6872760252        0.6326530206
HM16        1.8693891773        1.8180685747        1.7422236840
HM17        3.3855781170       -0.2096053772        1.5432258739
HM18        4.2156141472        1.2211870080        2.1642049057
HM19        4.4554855135        0.7314241907        0.4859443176
HM20       -0.0003147557        0.5911462883        1.5030225456
           43
Energy of minimum     20=      -66.1531490599 first found at step      135
C82         1.3273329483       -2.6066110278       -1.7488958361
C81         0.0900736127       -2.7508307178       -0.8370996044
C8         -1.0285768611       -1.7094065543       -1.1175184000
C9         -1.5978002481       -1.8352286054       -2.5524980998
C91        -2.8485577704       -0.9567122466       -2.7497963641
O7         -0.5176888316       -0.3565267330       -0.9334163792
C6         -0.4241456091        0.1278234848        0.4320550021
C7         -1.7928301185        0.6231438028        0.8649063802
C2         -2.0137827954        1.7924642247        1.5093355151
C1         -3.3916378559        2.2153156478        1.9420733781
O1B        -3.5525817392        3.2874785451        2.5018743544
O1A        -4.3502132833        1.4909194469        1.7275597978
C3         -0.8692757634        2.7380125266        1.8495731704
C4          0.5186607937        2.0602251716        1.7814636984
N4          1.5829850506        3.0903835935        1.8751222014
HAB         1.5411652244        3.5237559122        2.8018952605
HAA         2.4836376183        2.6054810300        1.8513035843
C5          0.6474597270        1.2424291236        0.4695016131
N5          2.0091335028        0.7150379043        0.1919190374
HAD         2.4198626786        0.9651165608       -0.6948643375
C10         2.7339270328       -0.0973903312        0.9890612612
C11         4.0814638372       -0.5039277890        0.4265976853
O10         2.3322207669       -0.4689874893        2.0790345658
HM1        -0.8912023196        3.5811498493        1.1545142774
HM2        -0.9949346879        3.1517931611        2.8528512474
HM3         3.9548820155       -1.0316338925       -0.5218283426
HM4         4.6115953070       -1.1613204610        1.1203655022
HM5         4.6989088793        0.3794893304        0.2456163125
HM6         0.6069127068        1.3745551063        2.6315620476
HM7        -2.6251920474       -0.0392009684        0.6366488733
HM8         0.4004189261        1.9361735735       -0.3404220080
HM9         1.7466226717       -1.6008155566       -1.6876161268
HM10        2.1000306626       -3.3151468809       -1.4427366686
HM11        1.0754664974       -2.8161416943       -2.7903228202
HM12       -0.3204065599       -3.7562912850       -0.9579359338
HM13        0.4086722290       -2.6733285803        0.2045774882
HM14       -1.8463912950       -1.8885505591       -0.4127641560
HM15       -0.8433837688       -1.5511326143       -3.2900239027
HM16       -1.8682217791       -2.8762669024       -2.7460279287
HM17       -3.6284713828       -1.2308554053       -2.0356662152
HM18       -3.2460534567       -1.0895592542       -3.7583925482
HM19       -2.6090372381        0.1004352056       -2.6147730081
HM20       -0.1110472775       -0.6853176522        1.0931864259
           43
Energy of minimum     21=      -66.0781743497 first found at step        2
C82         1.1296532270       -2.5280952163       -1.7744881113
C81         0.0086834954       -2.6851851397       -0.7249688959
C8         -1.1485386087       -1.6548319940       -0.8748440919
C9         -1.8620664305       -1.6994374436       -2.2516776714
C91        -2.5208855273       -3.0618975308       -2.5458357092
O7         -0.6378319030       -0.3024879386       -0.6906563806
C6         -0.4244759126        0.1446713176        0.6743601563
C7         -1.7500759139        0.6254585227        1.2372742496
C2         -1.9040461455        1.7628548678        1.9542214694
C1         -3.2373678480        2.1779608210        2.5145738843
O1B        -3.3373446089        3.2217831434        3.1383094194
O1A        -4.2204144452        1.4762886996        2.3390701046
C3         -0.7218803064        2.6769431372        2.2490913670
C4          0.6436148416        1.9880316585        2.0197504363
N4          1.7370834276        2.9882558232        2.1217477136
HAB         1.6066213144        3.6958981377        1.3942874842
HAA         1.6456959824        3.4931822077        3.0078163128
C5          0.6426133496        1.2626760527        0.6474181179
N5          1.9678934574        0.7157037832        0.2726352482
HAD         2.2958157242       -0.0943196165        0.7740217154
C10         2.7844508983        1.2358532696       -0.6644124218
C11         4.0995074649        0.5034260116       -0.8445302333
O10         2.4744401364        2.2201739333       -1.3170048340
HM1        -0.7924644230        3.5612932083        1.6106053895
HM2        -0.7562538479        3.0281869494        3.2833042036
HM3         4.6696396817        0.5121881858        0.0878433341
HM4         4.7036910968        0.9727826089       -1.6250353399
HM5         3.9197123994       -0.5375927303       -1.1245798434
HM6         0.7848093373        1.2351542288        2.8043191861
HM7        -2.6058735621       -0.0176331699        1.0415594176
HM8         0.3288817316        1.9903168231       -0.1073913346
HM9         1.5386363105       -1.5159828792       -1.7642552764
HM10        1.9426935154       -3.2243654092       -1.5577462718
HM11        0.7623646277       -2.7462863356       -2.7791326628
HM12       -0.3922966581       -3.6992282509       -0.7823865509
HM13        0.4486736748       -2.5954562951        0.2703409376
HM14       -1.8975437894       -1.8599858957       -0.1035979971
HM15       -2.6428239018       -0.9346228121       -2.2644926073
HM16       -1.1654188916       -1.4513825025       -3.0557728568
HM17       -1.7705657188       -3.8459190110       -2.6656977200
HM18       -3.0976194724       -3.0059468617       -3.4716816641
HM19       -3.1989036829       -3.3453995789       -1.7375622964
HM20       -0.0504840963       -0.6830267794        1.2852006236
           43
Energy of minimum     22=      -66.0394695252 first found at step      181
C82        -4.0129256343       -0.3306994961       -1.1759181312
C81        -2.9330641262        0.3853038601       -0.3407094967
C8         -1.7551597382       -0.5447958789        0.0504950894
C9         -2.1648669584       -1.7584371293        0.9343084845
C91        -2.8181253522       -1.3667423575        2.2766438344
O7         -0.7675944615        0.2691014005        0.7473560211
C6          0.6048058093       -0.2049002160        0.7521902108
C7          1.1615315125        0.1051034198        2.1274414467
C2          2.3702860179        0.6681592440        2.3576616515
C1          2.8788811812        0.9243233225        3.7503475853
O1B         3.9661951353        1.4530294442        3.9144876623
O1A         2.2013757751        0.6125286355        4.7164789368
C3          3.2924661155        1.0507910748        1.2083029532
C4          2.9113674594        0.3563603252       -0.1184978158
N4          3.7073926240        0.9227557554       -1.2345556201
HAB         3.3870533935        0.4737293368       -2.0965020486
HAA         3.4439181402        1.9045538569       -1.3524740071
C5          1.3905238848        0.5023390777       -0.3804943456
N5          0.9916314676        0.0030642529       -1.7187755931
HAD         1.0372648335       -0.9927273611       -1.8786699231
C10         0.5425038538        0.7732368493       -2.7304301769
C11         0.1370357262        0.0172151768       -3.9790071767
O10         0.4754432999        1.9872512773       -2.6331735683
HM1         3.2591013894        2.1346148549        1.0723753600
HM2         4.3283839290        0.7917974985        1.4398025935
HM3        -0.6691070054       -0.6847015586       -3.7508314106
HM4         0.9845228119       -0.5508761402       -4.3706808901
HM5        -0.2098196703        0.7037140507       -4.7554632018
HM6         3.1417022061       -0.7118015982       -0.0291210585
HM7         0.5140018694       -0.1717109223        2.9580279571
HM8         1.1521108814        1.5685616647       -0.3094548969
HM9        -4.5244169681       -1.0953700989       -0.5879670604
HM10       -4.7619328077        0.3887776224       -1.5139716247
HM11       -3.5703390280       -0.8021792011       -2.0564471315
HM12       -2.5397743093        1.2147386274       -0.9340827620
HM13       -3.3914888367        0.8237605119        0.5485708132
HM14       -1.3141812297       -0.9265248269       -0.8742877832
HM15       -2.8501925730       -2.4027171636        0.3797222653
HM16       -1.2832332554       -2.3688403904        1.1415108295
HM17       -2.1613286826       -0.7154899942        2.8573024348
HM18       -3.0159613772       -2.2626844522        2.8690728585
HM19       -3.7692027926       -0.8547083567        2.1184243123
HM20        0.6332154899       -1.2889039982        0.6009924226
           43
Energy of minimum     23=      -66.0157141010 first found at step        7
C82         1.9485758766        2.1177186572        1.2487227658
C81         1.8373253685        0.9441911475        2.2412735571
C8          0.4950130067        0.1770292363        2.1103775421
C9          0.3681201189       -0.9621355238        3.1536727590
C91         0.1793746839       -0.4394701353        4.5919222327
O7          0.4141162221       -0.4319737885        0.7886446434
C6         -0.5747690976        0.1097955481       -0.1273331377
C7         -1.9592577950       -0.3348797396        0.3144052805
C2         -2.9147662546       -0.7985113960       -0.5239292173
C1         -4.2815639190       -1.1942731815       -0.0344592227
O1B        -5.1085934523       -1.6270571610       -0.8202784061
O1A        -4.5624194587       -1.0893860281        1.1486263583
C3         -2.6597458458       -0.9255149600       -2.0195694145
C4         -1.4284795382       -0.1201379179       -2.4938127236
N4         -1.1035056053       -0.4827466395       -3.8955732555
HAB        -1.8637232675       -0.1674981353       -4.5052421842
HAA        -0.2866480469        0.0622026826       -4.1837890608
C5         -0.2251081027       -0.3800566441       -1.5529921485
N5          1.0305382849        0.2463888110       -2.0332582751
HAD         1.0285132432        1.2446494086       -2.1760784720
C10         2.1977732023       -0.4016018923       -2.2219501133
C11         3.3565849779        0.4804547936       -2.6422888917
O10         2.3012615664       -1.6080611440       -2.0686022335
HM1        -2.5125655926       -1.9807368621       -2.2632015970
HM2        -3.5278585696       -0.5866722058       -2.5898765616
HM3         3.1239040895        0.9920014418       -3.5796549025
HM4         4.2647658801       -0.1104234975       -2.7858378466
HM5         3.5530204844        1.2380299069       -1.8794345379
HM6        -1.6710932964        0.9483045143       -2.4500138114
HM7        -2.1664302020       -0.2462560201        1.3789010149
HM8        -0.0910567051       -1.4649140391       -1.5028127891
HM9         1.1085705989        2.8056923655        1.3689936575
HM10        2.8728462021        2.6720410816        1.4258111751
HM11        1.9632643144        1.7600383928        0.2182685372
HM12        2.6757645689        0.2595599220        2.0891468992
HM13        1.9324932005        1.3505981544        3.2498651822
HM14       -0.3350255620        0.8774297146        2.2505527194
HM15       -0.4960231196       -1.5825010600        2.9025130130
HM16        1.2498788998       -1.6071050033        3.1147395090
HM17        1.0665958648        0.0915606806        4.9415710813
HM18       -0.0000622079       -1.2750436856        5.2720653002
HM19       -0.6777277204        0.2355529590        4.6477240259
HM20       -0.5218772960        1.2037172419       -0.1078084512
           43
Energy of minimum     24=      -65.8664061858 first found at step      374
C82        -0.1490719682        4.1670393178        1.0490177946
C81        -0.4982918791        2.7515441844        1.5506921975
C8         -0.5144662651        1.6895516043        0.4196906486
C9         -1.5744282917        1.9661602771       -0.6872226468
C91        -3.0322048026        1.9375232468       -0.1815126852
O7         -0.7328878575        0.3941496018        1.0579264478
C6         -0.6710709367       -0.8378996290        0.2825416589
C7         -1.2313523218       -1.8990844448        1.2116362085
C2         -0.6216255039       -3.0671381870        1.5166796541
C1         -1.2494607755       -4.0805940718        2.4350611555
O1B        -0.6577051334       -5.1141044913        2.7002317295
O1A        -2.3459595525       -3.8647259703        2.9257768933
C3          0.7198483451       -3.4266227805        0.9006969384
C4          0.9688600460       -2.6577057841       -0.4131948318
N4          2.3242493450       -2.9689371034       -0.9286385696
HAB         2.4607035611       -2.4138345537       -1.7768197688
HAA         3.0118292961       -2.5890982197       -0.2727797706
C5          0.7817378754       -1.1322840756       -0.1908144589
N5          1.1210477786       -0.3610743820       -1.4125009826
HAD         0.4353691584       -0.3355934960       -2.1533587807
C10         2.2730139336        0.3104130420       -1.6127162742
C11         2.3704974153        1.0356806239       -2.9388067069
O10         3.1576506956        0.3262241524       -0.7737202216
HM1         1.5176559039       -3.2038240398        1.6134225479
HM2         0.7756210208       -4.4955770946        0.6820302023
HM3         1.5639235937        1.7676831304       -3.0294431594
HM4         2.2833585917        0.3267113504       -3.7659071518
HM5         3.3260104243        1.5586138627       -3.0281110870
HM6         0.2294897992       -2.9891738136       -1.1518100057
HM7        -2.2009241958       -1.6573340164        1.6446109218
HM8         1.4501610337       -0.8364695057        0.6245257142
HM9        -0.9384897177        4.5660147714        0.4091116871
HM10       -0.0321956221        4.8452667310        1.8971349684
HM11        0.7879765163        4.1578710060        0.4875053467
HM12        0.2517701563        2.4606726613        2.2906909132
HM13       -1.4590496767        2.7771136178        2.0697935584
HM14        0.4769986060        1.6955106003       -0.0371428724
HM15       -1.3790910628        2.9350627892       -1.1504849739
HM16       -1.4643520956        1.2340291274       -1.4894513830
HM17       -3.2677269289        0.9779886484        0.2837846743
HM18       -3.7186893497        2.0849968084       -1.0180508030
HM19       -3.2138800135        2.7326916774        0.5439978549
HM20       -1.3348491451       -0.7674371733       -0.5840725822
           43
Energy of minimum     25=      -65.8412037735 first found at step        1
C82        -2.6952508189       -1.4574091856       -1.9998570048
C81        -2.5391373106       -1.9992420027       -0.5644674651
C8         -1.3103142986       -1.3921095214        0.1611107124
C9         -1.1429653538       -1.9545581188        1.6007346107
C91        -0.8537823846       -3.4689413959        1.6276507904
O7         -1.4872156283        0.0575198115        0.1954907119
C6         -0.4254668158        0.9323050663        0.6760377982
C7         -1.0630292015        2.3091375206        0.7143588291
C2         -0.5847313050        3.4070271066        0.0869894899
C1         -1.2668706736        4.7450149042        0.1848251309
O1B        -2.2823017489        4.8662084132        0.8511269021
O1A        -0.8127552178        5.7080851981       -0.4108861484
C3          0.7051372273        3.3391043108       -0.7110921254
C4          1.6124038979        2.1903028130       -0.2254121562
N4          2.8233108834        2.1198263452       -1.0793491449
HAB         3.3802885629        2.9670863688       -0.9363080400
HAA         3.4076712870        1.3544881009       -0.7342880739
C5          0.8388134640        0.8441737645       -0.2304153273
N5          1.7162509749       -0.2803028175        0.1834789264
HAD         1.9910377920       -0.3210531422        1.1539554542
C10         2.2003124953       -1.2376041960       -0.6339130030
C11         3.0964167747       -2.2577979866        0.0381466055
O10         1.9162415257       -1.2769114459       -1.8192223164
HM1         0.4714259041        3.1973745341       -1.7691635677
HM2         1.2664089503        4.2726732374       -0.6294475330
HM3         3.9734752997       -1.7672925682        0.4676892213
HM4         3.4350922377       -3.0113637997       -0.6773253050
HM5         2.5578860275       -2.7621920452        0.8444417642
HM6         1.9195953443        2.4028620226        0.8055114162
HM7        -1.9786622205        2.3685701504        1.3008605910
HM8         0.4945327400        0.6825363585       -1.2565807643
HM9        -1.7903973669       -1.6453983675       -2.5824263467
HM10       -2.8913749563       -0.3829488767       -1.9974083411
HM11       -3.5316694274       -1.9521942900       -2.4983945957
HM12       -3.4498043908       -1.7942721409        0.0043351397
HM13       -2.4340367155       -3.0837031787       -0.6295428059
HM14       -0.4252306143       -1.6344522534       -0.4288270212
HM15       -0.3065755175       -1.4595078747        2.0966792456
HM16       -2.0391054966       -1.7460979637        2.1906570396
HM17       -0.6161291021       -3.7848317512        2.6458440254
HM18       -0.0017326094       -3.7106349066        0.9881118505
HM19       -1.7186419004       -4.0455012853        1.2943970221
HM20       -0.1591203135        0.6620250877        1.7018938088
           43
Energy of minimum     26=      -65.8042006604 first found at step       53
C82        -1.6988008026       -0.9843157758       -3.3974542630
C81        -0.9290197003       -1.6989246385       -2.2661107242
C8         -1.1887818213       -1.1139499799       -0.8512680301
C9         -2.6832862851       -1.1166050323       -0.4223539595
C91        -3.2996491200       -2.5295859738       -0.4025825457
O7         -0.6798784517        0.2513034302       -0.8275311154
C6         -0.3209800588        0.8102066745        0.4635998813
C7         -0.7597494277        2.2608564796        0.4389010579
C2          0.0010438718        3.3007864442        0.8522336031
C1         -0.5041367820        4.7178639631        0.8289545510
O1B         0.2212469150        5.6295971138        1.1912573823
O1A        -1.6355775014        4.9580423257        0.4393076355
C3          1.4087590478        3.0817853678        1.3888337876
C4          1.6668799776        1.6156173331        1.8027918365
N4          3.1027394432        1.4238193523        2.1213840664
HAB         3.2369680566        0.4332693960        2.3402431692
HAA         3.6442630015        1.5648695011        1.2645743157
C5          1.2054134296        0.6535308340        0.6781396345
N5          1.5790957897       -0.7565144837        0.9453410513
HAD         1.0938656067       -1.2356309707        1.6897770154
C10         2.5014611169       -1.4573185831        0.2551735586
C11         2.6640649192       -2.9002272381        0.6870454769
O10         3.1507733634       -0.9521075797       -0.6453788207
HM1         2.1304882648        3.3741445772        0.6220902813
HM2         1.5951889845        3.7162637744        2.2585903699
HM3         2.9586774403       -2.9506899918        1.7382508664
HM4         3.4271030576       -3.4032815704        0.0877212326
HM5         1.7200888907       -3.4386008810        0.5702813265
HM6         1.0758914805        1.4000663689        2.7007292707
HM7        -1.7684878917        2.4288745469        0.0645088310
HM8         1.6882207556        0.9836119213       -0.2474398166
HM9        -1.4742233855        0.0844306513       -3.4107010700
HM10       -1.4110467480       -1.4025301356       -4.3644766611
HM11       -2.7769063371       -1.1144524824       -3.2852221810
HM12       -1.1793898066       -2.7619048075       -2.2783713334
HM13        0.1413501494       -1.6365001641       -2.4782462811
HM14       -0.6208720595       -1.7186752108       -0.1389432582
HM15       -2.7711951809       -0.7002349366        0.5834943211
HM16       -3.2717319034       -0.4731261310       -1.0803757068
HM17       -3.3564098384       -2.9506212884       -1.4083413970
HM18       -4.3136742754       -2.4893283212        0.0012600398
HM19       -2.7081505433       -3.1996562080        0.2255505366
HM20       -0.8616356417        0.2958423290        1.2647620650
           43
Energy of minimum     27=      -65.7829068991 first found at step      238
C82        -2.4552796333       -2.2671390684        2.4334214791
C81        -2.2395408606       -2.0787915453        0.9162663176
C8         -0.8571787433       -1.4779112382        0.5418541770
C9          0.3542928965       -2.3139932311        1.0476715144
C91         0.3362458443       -3.7698218374        0.5401985875
O7         -0.8148512653       -0.1182108997        1.0739518575
C6          0.3037788532        0.7683953411        0.7805675365
C7          0.0807409124        1.9684424444        1.6827105552
C2          0.0496281327        3.2565820777        1.2717616387
C1         -0.1602678747        4.3968810713        2.2311530453
O1B        -0.2010657242        5.5439523993        1.8174091652
O1A        -0.3023878452        4.1750427586        3.4229181109
C3          0.2740188185        3.6105871175       -0.1884425489
C4          1.0525519458        2.5040566387       -0.9291140401
N4          1.1733771601        2.8500293278       -2.3662510520
HAB         1.6611521651        2.0763673893       -2.8242076041
HAA         0.2379826365        2.8312702067       -2.7807937622
C5          0.3576808027        1.1293720924       -0.7326809860
N5          1.0316898401        0.0661655137       -1.5189462220
HAD         1.8924094751       -0.3113316954       -1.1497383338
C10         0.5864514617       -0.4386239760       -2.6871440258
C11         1.4473211627       -1.5335992148       -3.2820983296
O10        -0.4398141402       -0.0354850323       -3.2076213012
HM1        -0.6908685346        3.7703058488       -0.6758686342
HM2         0.8382296419        4.5413298547       -0.2830383069
HM3         1.5268584307       -2.3723969609       -2.5859375051
HM4         2.4541001432       -1.1580479523       -3.4812299210
HM5         1.0206563686       -1.8993169633       -4.2194469208
HM6         2.0589613364        2.4436188504       -0.4983315341
HM7        -0.0637208901        1.7250596809        2.7343261273
HM8        -0.6774156560        1.2353600832       -1.0738110966
HM9        -2.3269967926       -1.3233947551        2.9679659991
HM10       -1.7576015150       -2.9994235616        2.8442872640
HM11       -3.4684838899       -2.6282267283        2.6228048161
HM12       -2.3761817134       -3.0379541652        0.4122381616
HM13       -3.0226843311       -1.4204688266        0.5316733836
HM14       -0.8212275078       -1.4302356211       -0.5482797701
HM15        1.2819826049       -1.8610428098        0.6935839553
HM16        0.3945652563       -2.3086321927        2.1393350341
HM17        1.2603690895       -4.2765655512        0.8268137928
HM18        0.2555573568       -3.7973024062       -0.5489257415
HM19       -0.4978686523       -4.3291750565        0.9683188535
HM20        1.2428332338        0.2942725931        1.0806762636
           43
Energy of minimum     28=      -65.6952070820 first found at step       98
C82        -3.8614149698       -1.5860840028        0.0459651718
C81        -2.4460095149       -1.0722067153       -0.2849049493
C8         -2.0485403709        0.1865249186        0.5388450354
C9         -3.0010769930        1.3981506789        0.3453095666
C91        -3.1395974857        1.8663759585       -1.1195469657
O7         -0.7051165982        0.6083467653        0.1642994544
C6          0.4068319908       -0.1330911644        0.7312531629
C7          0.7097257192        0.4303059504        2.1077672021
C2          1.9580241646        0.6726275643        2.5707119680
C1          2.2057820621        1.2041826083        3.9563258872
O1B         3.3462941697        1.4280930634        4.3274324441
O1A         1.2673786817        1.4189958703        4.7065191594
C3          3.1858565847        0.3994994812        1.7114440010
C4          2.8827074771       -0.5119237466        0.4990837918
N4          4.0581908884       -0.5564323529       -0.4078017826
HAB         4.2663271393        0.3925282909       -0.7294087994
HAA         4.8822897084       -0.8413143010        0.1296129023
C5          1.6098877766       -0.0119502319       -0.2331800686
N5          1.3448735370       -0.7395291115       -1.4967486265
HAD         1.4127374194       -1.7447418077       -1.4753401237
C10         1.0091756784       -0.1669209772       -2.6693440337
C11         0.7273952535       -1.1397899623       -3.7971576343
O10         0.9478833027        1.0448015278       -2.8039272331
HM1         3.5856775418        1.3526698241        1.3560374678
HM2         3.9724897885       -0.0734885630        2.3044496664
HM3        -0.1039178147       -1.7976439641       -3.5310087119
HM4         1.6054859496       -1.7606940097       -3.9919463943
HM5         0.4679124291       -0.6077362396       -4.7159353639
HM6         2.6881370615       -1.5252766398        0.8699802527
HM7        -0.1563769175        0.6268142603        2.7368993121
HM8         1.7534849617        1.0506347233       -0.4521358160
HM9        -4.6253476549       -0.8707646209       -0.2650238991
HM10       -4.0497113683       -2.5256501497       -0.4781736780
HM11       -3.9651450316       -1.7664638608        1.1183886759
HM12       -1.7431546338       -1.8809760337       -0.0750267896
HM13       -2.3756607832       -0.8669238958       -1.3556679503
HM14       -2.0550136997       -0.0723467299        1.6024268654
HM15       -3.9907205714        1.1573284934        0.7395401381
HM16       -2.6305608621        2.2333379601        0.9451414760
HM17       -2.1651989104        2.1127428598       -1.5469128776
HM18       -3.7651682474        2.7604230972       -1.1662178488
HM19       -3.6088960119        1.0984357270       -1.7374868077
HM20        0.1420791535       -1.1908705426        0.8254627529
           43
Energy of minimum     29=      -65.6751635610 first found at step      366
C82        -2.8072848362        1.3897383054        1.1090235444
C81        -1.9354376260        0.9887790743        2.3152443946
C8         -0.7395317658        0.0927260771        1.9015733570
C9          0.1037085594       -0.3524373833        3.1282345768
C91        -0.6421608449       -1.3496933935        4.0374792757
O7          0.1082295605        0.8554882865        0.9933214428
C6          1.0087223769        0.1070634263        0.1339416590
C7          2.3191012992        0.8685337768        0.1198199932
C2          3.0395794194        1.1335606540       -0.9942811578
C1          4.3498054262        1.8713419047       -0.9407517475
O1B         4.9583941751        2.1071520334       -1.9715927871
O1A         4.8002653357        2.2422828682        0.1311962910
C3          2.5660237067        0.6717201356       -2.3653872977
C4          1.4909770894       -0.4362966914       -2.2830207816
N4          0.9449963757       -0.7087918454       -3.6373146647
HAB         0.4986017228        0.1412626200       -3.9909332699
HAA         1.7209494462       -0.8931377191       -4.2793475337
C5          0.3818728369       -0.0228213896       -1.2772552276
N5         -0.7717577027       -0.9529966993       -1.2795387634
HAD        -0.6343258173       -1.8675448944       -0.8786702222
C10        -1.9627551483       -0.7039884970       -1.8595934344
C11        -2.9672988124       -1.8350883720       -1.7666336835
O10        -2.2056418137        0.3600447859       -2.4063107090
HM1         2.1613896252        1.5299744741       -2.9079498655
HM2         3.4040711314        0.2896909477       -2.9534863883
HM3        -3.1702417507       -2.0763517796       -0.7200759442
HM4        -2.5761775742       -2.7315412743       -2.2542840417
HM5        -3.9093816482       -1.5608673154       -2.2480783205
HM6         1.9677576107       -1.3502451630       -1.9093444957
HM7         2.6712574810        1.1961124513        1.0968862728
HM8         0.0357801709        0.9744279934       -1.5660588185
HM9        -3.6502259855        1.9992764818        1.4418763383
HM10       -2.2339871238        1.9712878327        0.3837608493
HM11       -3.2044283374        0.5025096750        0.6112364061
HM12       -1.5715177061        1.8895013497        2.8164221447
HM13       -2.5712730049        0.4578249323        3.0260151767
HM14       -1.1246379082       -0.7910725070        1.3843516179
HM15        1.0236296686       -0.8344915654        2.7905378951
HM16        0.3983265636        0.5212786814        3.7152590219
HM17       -1.5051766542       -0.8835844649        4.5162970850
HM18        0.0246047085       -1.7063063114        4.8256770455
HM19       -0.9838710094       -2.2140107209        3.4633711862
HM20        1.1890687798       -0.8903107807        0.5483835805
           43
Energy of minimum     30=      -65.5945109848 first found at step      653
C82        -0.3323141034       -0.9947712052       -3.7803256762
C81         0.7967969681       -0.2647960081       -3.0216730999
C8          0.9856254061       -0.7391718328       -1.5550240966
C9          1.2841235087       -2.2589990896       -1.4087858449
C91         2.5474306333       -2.7015352779       -2.1738903233
O7         -0.2210435754       -0.3906127089       -0.8160481592
C6         -0.1348277111       -0.3964958624        0.6322427433
C7         -1.0358788824       -1.5021044838        1.1454056092
C2         -1.8742386516       -1.3716485541        2.1997234534
C1         -2.7263745563       -2.5114927389        2.6875551370
O1B        -3.4841426313       -2.3456176224        3.6293766024
O1A        -2.6669508401       -3.5994661474        2.1376526956
C3         -1.9847900336       -0.0572806706        2.9623428309
C4         -0.8129764104        0.9090161919        2.6712488807
N4         -1.0966371694        2.2432295691        3.2529311470
HAB        -0.3152683059        2.8550257756        3.0040373176
HAA        -1.8928592552        2.6465078961        2.7520545880
C5         -0.5644808595        0.9967662756        1.1432499481
N5          0.4325909699        2.0280540194        0.7681527769
HAD         1.4087123040        1.7943583037        0.8707135770
C10         0.1370521770        3.2367810719        0.2500001024
C11         1.3354427233        4.0909574683       -0.1102109605
O10        -1.0164513938        3.6023440975        0.0939102012
HM1        -2.9269187005        0.4277859594        2.6950898728
HM2        -2.0157071277       -0.2372014456        4.0396160189
HM3         1.9492389137        4.2758610999        0.7749357159
HM4         1.0193165229        5.0531645391       -0.5209682631
HM5         1.9533066482        3.5818984121       -0.8542852306
HM6         0.0918349213        0.5069001172        3.1421571728
HM7        -0.9629933054       -2.4472290980        0.6100582112
HM8        -1.5211423036        1.2327145265        0.6655222230
HM9        -1.2844209928       -0.8985534349       -3.2539397261
HM10       -0.4510001249       -0.5623667794       -4.7762020796
HM11       -0.1051639237       -2.0556493051       -3.9018627417
HM12        1.7327221905       -0.3813239102       -3.5723262630
HM13        0.5785108943        0.8062202398       -3.0169159334
HM14        1.8237904222       -0.1743751495       -1.1336744884
HM15        1.4365507348       -2.4967178455       -0.3536819535
HM16        0.4299406325       -2.8508780629       -1.7456971930
HM17        2.4093553610       -2.6101246154       -3.2530490532
HM18        2.7708521916       -3.7475340274       -1.9527018027
HM19        3.4087486568       -2.0983398484       -1.8777821204
HM20        0.8946380774       -0.5932998386        0.9510681841
           43
Energy of minimum     31=      -65.5405250537 first found at step      708
C82         1.1738441756       -0.9060696633        3.2836623494
C81         1.5079438465       -1.6218701572        1.9592359007
C8          0.2307287867       -1.9773656937        1.1462470331
C9          0.3416105898       -3.4052247976        0.5562504762
C91        -0.9410880242       -3.8317021583       -0.1854386223
O7          0.0517846507       -1.0530608753        0.0288688338
C6         -0.2794714283        0.3361522718        0.2978208324
C7         -1.7160713991        0.4351731667        0.7836832038
C2         -2.6081226253        1.3523329050        0.3429786973
C1         -4.0092644565        1.4270844660        0.8868200911
O1B        -4.7892897749        2.2574238422        0.4499607739
O1A        -4.3697458196        0.6526481465        1.7585522924
C3         -2.2283683913        2.3788544730       -0.7155174983
C4         -0.6997768422        2.5259590731       -0.8912324997
N4         -0.4100611085        3.3605186585       -2.0833678241
HAB        -0.7374693503        4.3150255718       -1.9083127154
HAA         0.6061130150        3.4395488872       -2.1753565377
C5         -0.0417788123        1.1284080294       -1.0088534925
N5          1.4059968406        1.1906852757       -1.3258793424
HAD         2.0120770063        1.6329361499       -0.6520369325
C10         1.9884249432        0.6353851648       -2.4075718388
C11         3.4963275476        0.7783943386       -2.4641229739
O10         1.3407716598        0.0660787549       -3.2714591592
HM1        -2.6717787607        2.0825375739       -1.6694904894
HM2        -2.6378512761        3.3607547297       -0.4668389678
HM3         3.7776756620        1.8344885851       -2.4678673139
HM4         3.8995029458        0.3087508408       -3.3649301439
HM5         3.9548880705        0.3058278065       -1.5917672748
HM6        -0.2911401958        3.0217573192       -0.0026512624
HM7        -2.0068801265       -0.2765749485        1.5523640992
HM8        -0.5646328860        0.5988715111       -1.8110990724
HM9         0.5632631660       -1.5496039044        3.9212555158
HM10        2.0930693831       -0.6671607762        3.8230020896
HM11        0.6288501715        0.0232882950        3.1128179623
HM12        2.1798109120       -0.9999130316        1.3619114193
HM13        2.0629433685       -2.5304906681        2.2061930430
HM14       -0.6452537625       -1.9521309388        1.8006194435
HM15        1.1946147655       -3.4643059938       -0.1250702897
HM16        0.5228350737       -4.1174622805        1.3652977721
HM17       -1.8055778081       -3.7812599863        0.4805498820
HM18       -0.8440050492       -4.8593611452       -0.5424071299
HM19       -1.1284790374       -3.1894506083       -1.0488148549
HM20        0.3930303538        0.7341217909        1.0619945250
           43
Energy of minimum     32=      -65.4411448297 first found at step       90
C82        -0.6232844153        3.0198366218        2.4633207363
C81        -0.1226845484        2.8307785985        1.0152500084
C8         -0.7875869196        1.6470779760        0.2610496898
C9         -2.3376400843        1.7359061180        0.1728903458
C91        -2.8258667098        3.0089443939       -0.5467316610
O7         -0.4084481225        0.4112950344        0.9343644571
C6         -0.4564571175       -0.8131346842        0.1551307672
C7         -1.0275807907       -1.8817953379        1.0651312609
C2         -0.5224227716       -3.1301832920        1.1932146227
C1         -1.1538441645       -4.1581771873        2.0923400773
O1B        -0.6553838406       -5.2671604676        2.1944841288
O1A        -2.1596909955       -3.8820281303        2.7261387618
C3          0.7076885804       -3.5655474465        0.4094733014
C4          1.0150178316       -2.6410293199       -0.7906204502
N4          2.3378323984       -2.9912843703       -1.3643624791
HAB         2.2857058229       -3.9296832836       -1.7713757073
HAA         2.5162473008       -2.3667577843       -2.1550795179
C5          0.9680840175       -1.1552678672       -0.3508401339
N5          1.4004942703       -0.2274551546       -1.4246646900
HAD         0.8750124890       -0.2328117601       -2.2861490960
C10         2.4278452515        0.6414256046       -1.3314316112
C11         2.6399017371        1.5115968219       -2.5538081475
O10         3.1254994245        0.7145867912       -0.3331855840
HM1         1.5689726166       -3.5778763673        1.0821782025
HM2         0.5856262265       -4.5834531211        0.0317902910
HM3         1.7474507822        2.1109391458       -2.7511391870
HM4         2.8362266891        0.8913571897       -3.4319830753
HM5         3.4866540177        2.1874671212       -2.4097973704
HM6         0.2446047473       -2.7939194331       -1.5557221915
HM7        -1.9123902929       -1.5834260745        1.6254921940
HM8         1.6462903343       -1.0590267490        0.5025435153
HM9        -0.4869040714        2.1075024330        3.0480190974
HM10       -0.0611964084        3.8203101459        2.9492701892
HM11       -1.6797256567        3.2943678874        2.4835594057
HM12       -0.2782083896        3.7575390457        0.4587347477
HM13        0.9577511213        2.6682216527        1.0379029377
HM14       -0.3811741591        1.6366493552       -0.7542573614
HM15       -2.7186393596        0.8741689791       -0.3794265224
HM16       -2.7813865067        1.6899399543        1.1700438037
HM17       -2.5847047503        3.9054815270        0.0278093049
HM18       -3.9101660949        2.9740697242       -0.6733675551
HM19       -2.3689655495        3.0922722614       -1.5355288100
HM20       -1.1285539396       -0.6917165520       -0.7006606953
           43
Energy of minimum     33=      -65.4174788243 first found at step     1197
C82         1.5000586420        3.3538200518        0.8012663022
C81         1.3503093530        1.9034733004        1.3094829496
C8          1.5908129914        0.8204843452        0.2220889858
C9          3.0283858258        0.8977610321       -0.3505880575
C91         3.3662063854       -0.3262466951       -1.2243795015
O7          0.6514516690        0.9343266001       -0.8975232377
C6         -0.7497957812        0.5337631638       -0.7733072984
C7         -1.5588198001        1.6086721326       -0.0769481317
C2         -2.5963170363        1.3531028570        0.7528621295
C1         -3.3974020538        2.4550331803        1.3912885407
O1B        -4.3134152594        2.1808317492        2.1492981703
O1A        -3.1303661801        3.6224669588        1.1561803502
C3         -3.0227748528       -0.0759485708        1.0668760971
C4         -2.4402759764       -1.1182742652        0.0818752023
N4         -2.6939331976       -2.4872151324        0.5930513885
HAB        -3.7026883872       -2.6638883768        0.5840386775
HAA        -2.3007161601       -3.1528007070       -0.0773601832
C5         -0.9255938314       -0.8633173576       -0.1250598285
N5         -0.2558133088       -1.9101988148       -0.9334177046
HAD        -0.4680370966       -1.9440851224       -1.9192691751
C10         0.6502475174       -2.7914326740       -0.4650496812
C11         1.2159295084       -3.7401406020       -1.5023543790
O10         0.9869946709       -2.8070699405        0.7074263089
HM1        -2.6996994390       -0.3238059050        2.0811400378
HM2        -4.1115932041       -0.1650556936        1.0513338362
HM3         1.9463622358       -4.4181745788       -1.0537861060
HM4         1.7083113885       -3.1788881467       -2.3005306508
HM5         0.4156303648       -4.3366241150       -1.9474437598
HM6        -2.9413362141       -1.0036185915       -0.8866917773
HM7        -1.2733562714        2.6325895644       -0.3077545797
HM8        -0.4896007027       -0.8384765876        0.8764781101
HM9         0.8543324196        3.5429925814       -0.0578548429
HM10        1.2277085570        4.0554367223        1.5926598537
HM11        2.5316443615        3.5628751020        0.5110876108
HM12        2.0628628682        1.7478425282        2.1232002515
HM13        0.3618381356        1.7706363940        1.7517849426
HM14        1.4892304718       -0.1596618785        0.6921207233
HM15        3.1531729936        1.8054015282       -0.9460534197
HM16        3.7465294544        0.9457879531        0.4717897034
HM17        3.2918733193       -1.2470100153       -0.6419180061
HM18        4.3867401000       -0.2456602529       -1.6049914588
HM19        2.6891370227       -0.3980411331       -2.0784910943
HM20       -1.1342355033        0.4683374119       -1.7965572983
           43
Energy of minimum     34=      -65.3581769966 first found at step      216
C82        -4.2745171704        0.4092763339        0.5558605883
C81        -3.1145694814        0.7581685144       -0.3980604600
C8         -1.7174469694        0.6075430559        0.2595357596
C9         -1.4923093510        1.5477694654        1.4804249345
C91        -1.5352939529        3.0504992934        1.1317255128
O7         -0.7272934070        0.8417968912       -0.7878290705
C6          0.6920670151        0.6437890404       -0.5252735832
C7          1.3876676246        1.2574445169       -1.7263422542
C2          2.2889712113        0.6255304169       -2.5113708044
C1          2.9506651076        1.3080056438       -3.6781537447
O1B         2.6842388532        2.4704367534       -3.9379550902
O1A         3.7457513996        0.6969895005       -4.3732252196
C3          2.7076981179       -0.8033236440       -2.2126244588
C4          2.4853113462       -1.1651731694       -0.7296573872
N4          2.8269365407       -2.5921735916       -0.5109497446
HAB         3.8318662079       -2.7197475077       -0.6606811826
HAA         2.6751604166       -2.8041916715        0.4781699051
C5          1.0220860884       -0.8626339169       -0.3077683016
N5          0.7716599295       -1.2717024943        1.0974907076
HAD         1.2125092540       -0.7282251849        1.8249250105
C10         0.0255818783       -2.3269441032        1.4832699408
C11        -0.0491389147       -2.5425525729        2.9810713596
O10        -0.5535623234       -3.0359915746        0.6774736239
HM1         2.1368489114       -1.4883170805       -2.8444202284
HM2         3.7636980675       -0.9584719650       -2.4452415402
HM3        -0.6728594254       -3.4075562765        3.2203072084
HM4        -0.4747040236       -1.6620904469        3.4692566452
HM5         0.9501180437       -2.7109383694        3.3903571747
HM6         3.1511094221       -0.5452876351       -0.1174420290
HM7         1.1053818333        2.2880715695       -1.9361886787
HM8         0.3753082389       -1.4379574512       -0.9773784483
HM9        -4.3535239126        1.1372378023        1.3655909272
HM10       -5.2205871046        0.4131088709        0.0100687607
HM11       -4.1337583526       -0.5840189508        0.9882817965
HM12       -3.1695231083        0.0846672614       -1.2572319821
HM13       -3.2529920854        1.7711088022       -0.7827366516
HM14       -1.6341829127       -0.4268458725        0.5965013603
HM15       -2.2405652816        1.3405657915        2.2476926810
HM16       -0.5309151263        1.3200550011        1.9447291714
HM17       -0.7931599478        3.2982799817        0.3698084140
HM18       -1.3173278051        3.6448535659        2.0216935053
HM19       -2.5220668177        3.3430882566        0.7679395979
HM20        0.9896619661        1.2158571496        0.3583562748
           43
Energy of minimum     35=      -65.3241907276 first found at step       34
C82        -1.8527433929        1.9480454560        3.3094797163
C81        -1.8627513813        0.6003365301        2.5611443747
C8         -1.0878654657        0.6453632004        1.2177061878
C9         -1.6694559367        1.6499140205        0.1840118528
C91        -3.1153197521        1.3375336143       -0.2559605630
O7         -1.1078230515       -0.7016550617        0.6541727789
C6          0.1531820792       -1.3407060571        0.3033805879
C7          1.0527395974       -1.4112402930        1.5231201067
C2          2.3934538276       -1.2349478861        1.4812052510
C1          3.2525103743       -1.3452436634        2.7112560699
O1B         4.4559706858       -1.1610887853        2.6318294523
O1A         2.7457371856       -1.6080430143        3.7898925610
C3          3.1070462597       -0.9394051777        0.1676940095
C4          2.2402368579       -1.2594785935       -1.0734092305
N4          2.9132173383       -0.7715920949       -2.3005312071
HAB         2.2984913790       -0.9896952709       -3.0883806614
HAA         2.9135344532        0.2516083824       -2.2757261930
C5          0.8264795949       -0.6401578455       -0.9033016706
N5         -0.0243603533       -0.7569987130       -2.1110819768
HAD        -0.6194404975       -1.5690104334       -2.1818730886
C10        -0.1418031642        0.1808433125       -3.0720119820
C11        -1.1505861733       -0.1348260689       -4.1571906039
O10         0.5247337083        1.2023253996       -3.0539706703
HM1         3.3909579539        0.1157406637        0.1476179027
HM2         4.0312718584       -1.5174463038        0.0930996293
HM3        -1.1862264149        0.6649183849       -4.9012314114
HM4        -2.1474632988       -0.2513343410       -3.7245138730
HM5        -0.8857141683       -1.0674065562       -4.6616959233
HM6         2.1314944600       -2.3480801494       -1.1465767283
HM7         0.5501136711       -1.6359800661        2.4626087091
HM8         0.9581891190        0.4179138018       -0.6596791472
HM9        -2.4192662415        2.7063611049        2.7654751356
HM10       -2.3099832510        1.8316642042        4.2945310263
HM11       -0.8297149881        2.3053678482        3.4477511080
HM12       -1.3997546787       -0.1494353151        3.2073916835
HM13       -2.8951866684        0.2820159396        2.4001898124
HM14       -0.0563741779        0.9387580107        1.4361994017
HM15       -1.6303529597        2.6627259840        0.5896834747
HM16       -1.0323079755        1.6600718160       -0.7005782119
HM17       -3.1880781420        0.3342256935       -0.6813205566
HM18       -3.4335398132        2.0510982994       -1.0190978493
HM19       -3.8089817853        1.4143150241        0.5834515298
HM20       -0.0842666718       -2.3673750004        0.0052391863
           43
Energy of minimum     36=      -65.2902157034 first found at step       45
C82         3.5634448755       -1.6592012383        1.3613084959
C81         2.9399345408       -0.2481519178        1.2989063077
C8          1.3950243585       -0.2436209635        1.1401735313
C9          0.6399206280       -0.9974782008        2.2733640925
C91         0.9528677989       -0.4431294476        3.6775919764
O7          1.0886037825       -0.8159984099       -0.1680204234
C6         -0.2768668659       -0.8333582955       -0.6764973358
C7         -0.2019441035       -1.6909086302       -1.9264629968
C2         -0.6185043813       -1.3138117803       -3.1561695072
C1         -0.5259221273       -2.2289880143       -4.3473594900
O1B        -0.0691625465       -3.3536769209       -4.2201838852
O1A        -0.8964921151       -1.8442769503       -5.4443041972
C3         -1.2481466756        0.0507080074       -3.3741522251
C4         -1.8596500815        0.6099866224       -2.0731940137
N4         -2.3876402755        1.9742051406       -2.3199209899
HAB        -3.1763359424        1.9124399566       -2.9700813936
HAA        -2.7892270284        2.3192115491       -1.4446743690
C5         -0.8078224206        0.6091101525       -0.9312079975
N5         -1.3630961432        1.2041248574        0.3109146152
HAD        -2.0628303271        0.6722569258        0.8072533230
C10        -1.0268174865        2.4062180035        0.8214467011
C11        -1.7553149189        2.7852356973        2.0946692195
O10        -0.1855689007        3.1167399960        0.2971848646
HM1        -0.4913856367        0.7442834090       -3.7489926315
HM2        -2.0382218801        0.0017699395       -4.1269314632
HM3        -1.5640361227        2.0441655333        2.8749789631
HM4        -2.8330088613        2.8247643130        1.9175649313
HM5        -1.4264602550        3.7627358590        2.4563492746
HM6        -2.6895587630       -0.0403787297       -1.7721523397
HM7         0.2322267161       -2.6778934185       -1.7738476408
HM8         0.0368598902        1.2110774868       -1.2802265787
HM9         3.2997325865       -2.2440035814        0.4773924250
HM10        4.6521103231       -1.5829728560        1.4041529960
HM11        3.2313828845       -2.1993998420        2.2499812347
HM12        3.2224938841        0.3092570637        2.1945303306
HM13        3.3797031132        0.2906890541        0.4557768016
HM14        1.0832481132        0.8020010945        1.1458183639
HM15       -0.4364106747       -0.8996908710        2.1216481223
HM16        0.8693604153       -2.0650842729        2.2428352603
HM17        1.9917610778       -0.6305458811        3.9559427801
HM18        0.3153251127       -0.9271578483        4.4206877627
HM19        0.7669864118        0.6326944946        3.7171724785
HM20       -0.9305619794       -1.3439470854        0.0367346266
           43
Energy of minimum     37=      -65.2587019381 first found at step     1041
C82        -2.4279664546        0.8283669699        1.9958823770
C81        -1.1659179822        0.7873896864        2.8773635483
C8         -0.0937960973       -0.2105153780        2.3678295594
C9          1.0564673663       -0.3116498547        3.4002713122
C91         2.1138924357       -1.3611884113        3.0057015247
O7          0.4652597648        0.2547994287        1.1030082324
C6         -0.0064238835       -0.3742913671       -0.1205969516
C7          0.5809190385       -1.7730704371       -0.2236260437
C2          1.1793535167       -2.2764114381       -1.3280968924
C1          1.7101410776       -3.6840021247       -1.3750602223
O1B         2.2626315646       -4.0941865267       -2.3827102675
O1A         1.5957973308       -4.4146199174       -0.4041642185
C3          1.3194623076       -1.4481990225       -2.5974398109
C4          0.3477743604       -0.2476528539       -2.6380344898
N4          0.6858332375        0.6286497551       -3.7872077521
HAB         0.5171548227        0.1121716959       -4.6550078437
HAA         0.0048368205        1.3920598062       -3.7994049722
C5          0.4185510050        0.5345446700       -1.2992354686
N5         -0.3050111091        1.8330467710       -1.2806290629
HAD         0.2102628078        2.6311615364       -0.9410339905
C10        -1.5888920699        2.0490979360       -1.6348281005
C11        -2.0570262682        3.4821033092       -1.4793004436
O10        -2.3134111434        1.1563562942       -2.0411296512
HM1         2.3470352252       -1.0833559436       -2.6709214209
HM2         1.1365255973       -2.0614270420       -3.4828617670
HM3        -3.1023348435        3.5862772945       -1.7809906333
HM4        -1.4496222894        4.1489903871       -2.0963691182
HM5        -1.9634332071        3.8003494223       -0.4378648542
HM6        -0.6682626922       -0.6364446782       -2.7674912372
HM7         0.4791677164       -2.3919280468        0.6644640350
HM8         1.4789216495        0.7594372486       -1.1462177200
HM9        -2.8420505144       -0.1739409177        1.8646498165
HM10       -3.1904343011        1.4556580621        2.4628007340
HM11       -2.2042430349        1.2488674109        1.0155288045
HM12       -0.7394820573        1.7914975757        2.9472153178
HM13       -1.4687751437        0.4978736909        3.8867760725
HM14       -0.5479960093       -1.1989936074        2.2482406324
HM15        1.5389490389        0.6622577639        3.5180992349
HM16        0.6446756393       -0.5869843480        4.3744837407
HM17        1.6567083573       -2.3475767058        2.9006575393
HM18        2.8858583381       -1.4234243864        3.7758162004
HM19        2.5968204050       -1.0966426400        2.0624574668
HM20       -1.0979203221       -0.4444510675       -0.1010232162
           43
Energy of minimum     38=      -65.2359963177 first found at step      147
C82         0.2822665174       -3.3077169697       -0.3934638291
C81         1.4852908503       -2.4229741509       -0.7778923891
C8          1.8986676939       -1.3801192270        0.3002132763
C9          2.3769416282       -2.0272681591        1.6319699881
C91         1.2854024552       -2.1994938870        2.7133715757
O7          0.8089831702       -0.4452776549        0.5574117127
C6          0.5923772483        0.6128905344       -0.4119870737
C7          1.5746069379        1.7366266701       -0.1327630544
C2          1.2478976024        3.0499909541       -0.1398408662
C1          2.2671511221        4.1271841893        0.1139309252
O1B         1.9268387755        5.2988829006        0.1187471160
O1A         3.4324568021        3.8303403037        0.3227077661
C3         -0.1764099233        3.5080306783       -0.4258012975
C4         -1.0461362249        2.4020622258       -1.0665430730
N4         -2.4644054489        2.8325172464       -1.1109171214
HAB        -3.0022280396        2.0599242150       -1.5112813408
HAA        -2.8071081425        2.8940546828       -0.1485114792
C5         -0.8763523837        1.0746834691       -0.2825480476
N5         -1.8026554564        0.0062490162       -0.7276900301
HAD        -1.5286762335       -0.5442329259       -1.5273106694
C10        -2.9476671361       -0.3345781541       -0.1039395109
C11        -3.6903417704       -1.5037956815       -0.7183591521
O10        -3.3461025954        0.2694016299        0.8784615992
HM1        -0.6378724108        3.8330303559        0.5100054445
HM2        -0.1774579318        4.3708497897       -1.0961538391
HM3        -3.9522232314       -1.2833377736       -1.7562506014
HM4        -4.6092609170       -1.7156873066       -0.1659516082
HM5        -3.0645422192       -2.3995542568       -0.7072151895
HM6        -0.6977225258        2.2398394382       -2.0934169894
HM7         2.5985900121        1.4290125298        0.0692726656
HM8        -1.0566358537        1.2866087404        0.7765038392
HM9        -0.5699428287       -2.7012883452       -0.0809155150
HM10       -0.0255528823       -3.9095343299       -1.2512930758
HM11        0.5450323686       -3.9933822973        0.4140049644
HM12        2.3395432940       -3.0688299070       -0.9950307090
HM13        1.2527949454       -1.9062388225       -1.7112235782
HM14        2.7504449706       -0.8238423096       -0.1029219256
HM15        2.8351619847       -2.9975498775        1.4248780018
HM16        3.1678487873       -1.4011293054        2.0521015304
HM17        0.9138827675       -1.2290843061        3.0501607311
HM18        1.7023698723       -2.7146473103        3.5814554035
HM19        0.4407803446       -2.7846293931        2.3491321713
HM20        0.7539640047        0.2320127814       -1.4251067455
           43
Energy of minimum     39=      -65.2139290883 first found at step        8
C82         1.7105208751        2.0024305119        3.1938903552
C81         1.5659938310        1.3401276407        1.8092541889
C8          0.9887289757       -0.0996743533        1.8855122373
C9          1.9773480384       -1.0910761799        2.5507967873
C91         1.3979602219       -2.5171945958        2.6380072072
O7          0.7151556247       -0.5662439296        0.5332065954
C6         -0.5432071400       -0.1506983860       -0.0585354289
C7         -1.6353184600       -1.0942902995        0.4113157672
C2         -2.5800115038       -1.6295007843       -0.3970935458
C1         -3.6593706964       -2.5353719919        0.1307466322
O1B        -4.4796133352       -3.0158767321       -0.6341641188
O1A        -3.7111563694       -2.7968950911        1.3217553319
C3         -2.6110496359       -1.3266731371       -1.8903072391
C4         -1.7639281955       -0.0919010517       -2.2765755760
N4         -1.6352212809       -0.0055853588       -3.7527600202
HAB        -1.0292518664        0.7936743579       -3.9563698979
HAA        -1.1098148609       -0.8175441595       -4.0865527808
C5         -0.3725827855       -0.1699013016       -1.5941788921
N5          0.6131948463        0.8420451150       -2.0552104946
HAD         1.5083405259        0.4954971583       -2.3675464114
C10         0.4677148504        2.1830741019       -2.0099628297
C11         1.6798468410        2.9683539365       -2.4685833514
O10        -0.5614910368        2.7151805692       -1.6293490900
HM1        -2.2448200611       -2.2008279901       -2.4343396074
HM2        -3.6352746482       -1.1510556179       -2.2277282035
HM3         1.4929083923        4.0437036049       -2.4118677806
HM4         1.9286728050        2.7133317962       -3.5017782565
HM5         2.5430741564        2.7328244690       -1.8409341708
HM6        -2.2821873191        0.8020682643       -1.9122516184
HM7        -1.6334454547       -1.3205939564        1.4757060321
HM8         0.0370974242       -1.1548809679       -1.8421828076
HM9         2.4610489780        1.4937119019        3.8016312690
HM10        2.0229554252        3.0427059811        3.0789974145
HM11        0.7581289412        1.9895109995        3.7288361825
HM12        0.9088789838        1.9696123043        1.2057072170
HM13        2.5392522959        1.3258790172        1.3118948507
HM14        0.0585712926       -0.0893381648        2.4626377691
HM15        2.9175511305       -1.1135112246        1.9936564554
HM16        2.2090439487       -0.7599986791        3.5648535890
HM17        0.4556507197       -2.5163525356        3.1906896398
HM18        2.0981563158       -3.1756215948        3.1567773093
HM19        1.2180833977       -2.9306892553        1.6431890238
HM20       -0.7861341878        0.8675656091        0.2592102667
           43
Energy of minimum     40=      -65.1766717302 first found at step       58
C82        -3.4003250811        1.0971685016        0.8769955305
C81        -1.8865381433        1.3909236804        0.9014176577
C8         -1.0304550051        0.1990201107        1.4144584555
C9         -1.4352805368       -0.2482219441        2.8435158149
C91        -0.5982331052       -1.4458750763        3.3379450955
O7          0.3916782086        0.5530587180        1.4579277708
C6          1.1742255028        0.7820795972        0.2456155932
C7          0.9732234304        2.1984053389       -0.2526954170
C2          0.9636409428        2.5401639323       -1.5621144523
C1          0.7929476160        3.9649883835       -2.0134771684
O1B         0.7687713147        4.2269859067       -3.2049076799
O1A         0.6735246945        4.8584090553       -1.1906083381
C3          1.1418203038        1.4910230352       -2.6542533590
C4          1.6892311754        0.1439847337       -2.1229824834
N4          1.6050093544       -0.8933117404       -3.1790897402
HAB         1.9421159476       -1.7700888278       -2.7732290995
HAA         0.6172354458       -1.0750387924       -3.3753471651
C5          0.9105530156       -0.2787156881       -0.8510819041
N5          1.2567969232       -1.6366574612       -0.3688294052
HAD         2.1110315370       -1.7401481523        0.1591943443
C10         0.4887689533       -2.7324731803       -0.5262969805
C11         1.0341231031       -3.9970031898        0.1044460527
O10        -0.5683321290       -2.6873938691       -1.1328078862
HM1         0.1773445178        1.3211068431       -3.1392879586
HM2         1.8245185240        1.8521485696       -3.4271498274
HM3         1.1605976251       -3.8587631115        1.1811896179
HM4         2.0079129439       -4.2452468804       -0.3250141122
HM5         0.3565121292       -4.8384734832       -0.0604772589
HM6         2.7422866982        0.2815223630       -1.8504933983
HM7         0.8491477192        2.9533614884        0.5219939692
HM8        -0.1510960786       -0.2423805322       -1.1107452366
HM9        -3.6052150785        0.1688907266        0.3386634871
HM10       -3.9288687555        1.9083280763        0.3713490686
HM11       -3.8062222379        1.0167902955        1.8872435845
HM12       -1.5949241351        1.6294900160       -0.1223701436
HM13       -1.7010571943        2.2772626322        1.5134812865
HM14       -1.1776097526       -0.6569205183        0.7510748635
HM15       -1.3298579862        0.5859518143        3.5419780084
HM16       -2.4831045205       -0.5535616904        2.8558941697
HM17        0.4567578793       -1.1795414799        3.4324042639
HM18       -0.6847581966       -2.2871251670        2.6463593319
HM19       -0.9529671360       -1.7717576789        4.3181877506
HM20        2.2250695668        0.6976346451        0.5419232976
           43
Energy of minimum     41=      -65.1383475637 first found at step       99
C82        -1.6513829760       -0.3548314731       -3.3426289020
C81        -0.3016952666       -0.4839691329       -2.6104680580
C8          0.1074398432        0.8458205527       -1.9134329406
C9          1.2281863144        1.6011477987       -2.6719828252
C91         0.7840120316        2.1038526356       -4.0596758530
O7          0.6055097787        0.5626102721       -0.5743868399
C6         -0.3880331393        0.3028033537        0.4526316224
C7         -0.9113298814        1.6293578636        0.9739004856
C2         -1.1234732198        1.8990268162        2.2831318945
C1         -1.6729127682        3.2207115524        2.7466514325
O1B        -1.8304021176        3.4307067061        3.9381799536
O1A        -1.9536419770        4.0859075424        1.9329037608
C3         -0.8301930493        0.8632984794        3.3611363392
C4         -0.6578376042       -0.5646388738        2.7936215350
N4         -0.1503003473       -1.4735079427        3.8495366988
HAB        -0.0242876531       -2.3940984437        3.4215520079
HAA         0.8022788626       -1.1835407224        4.0864331976
C5          0.2858278811       -0.5342723628        1.5629570637
N5          0.6420110700       -1.8823097232        1.0592442896
HAD         0.0016375879       -2.3239972156        0.4170562488
C10         1.7927545168       -2.5300215476        1.3282511884
C11         1.9534086273       -3.8678757206        0.6353573916
O10         2.6306774650       -2.0606267422        2.0807929154
HM1         0.0807505909        1.1530755234        3.8908155089
HM2        -1.6331403713        0.8390262463        4.1017835662
HM3         1.9187148064       -3.7392654820       -0.4494487251
HM4         1.1454637367       -4.5444180111        0.9251017028
HM5         2.9068988058       -4.3320574497        0.8997294983
HM6        -1.6389904865       -0.9260028896        2.4635465477
HM7        -1.1307644231        2.3810979789        0.2183850896
HM8         1.2006582556       -0.0084285758        1.8559493625
HM9        -1.6112758726        0.4204418349       -4.1100441288
HM10       -1.9094669842       -1.3000342517       -3.8252414890
HM11       -2.4470370322       -0.1031193245       -2.6375579685
HM12       -0.3885233842       -1.2905664802       -1.8787424566
HM13        0.4674352356       -0.7961925334       -3.3212633520
HM14       -0.7612362628        1.5066066252       -1.8308067383
HM15        1.5376670823        2.4650160261       -2.0780896574
HM16        2.1044417168        0.9572829475       -2.7845866450
HM17        0.5746704401        1.2696632892       -4.7322100708
HM18        1.5754570024        2.7071309504       -4.5097845435
HM19       -0.1124507019        2.7227198099       -3.9774561789
HM20       -1.2175261327       -0.2735299061        0.0291580711
           43
Energy of minimum     42=      -65.1102145966 first found at step      146
C82        -2.9564761782       -0.2443058821        2.8898376974
C81        -2.7307629208        0.4792184256        1.5450574509
C8         -1.5811558157       -0.1169737417        0.6865744258
C9         -1.7593864059       -1.6186072336        0.3377557551
C91        -3.0390186598       -1.8990753008       -0.4744556291
O7         -0.3254603056        0.0420574388        1.4145649645
C6          0.7410747643        0.8297229961        0.8108195355
C7          0.2434822609        2.2332986118        0.5191033927
C2          0.5715831527        2.9354410051       -0.5897924915
C1          0.0802428774        4.3384312452       -0.8213363993
O1B         0.3856041055        4.9295616220       -1.8440096205
O1A        -0.6323310838        4.8817572940        0.0071443104
C3          1.4880645146        2.3426656642       -1.6526109293
C4          2.2833407366        1.1177526961       -1.1426311349
N4          3.0107983692        0.4827716985       -2.2672284382
HAB         3.5061075519       -0.3275500971       -1.8874455141
HAA         2.3198673900        0.0664826213       -2.8971998024
C5          1.3228449141        0.1210079530       -0.4391640119
N5          1.9696353965       -1.1570694163       -0.0594321246
HAD         2.3865772239       -1.2121546549        0.8579911067
C10         1.9681192082       -2.2789923820       -0.8065419555
C11         2.6320094547       -3.4797602786       -0.1642880900
O10         1.4663700985       -2.3060249505       -1.9181509285
HM1         0.8872470443        2.0496301716       -2.5171767319
HM2         2.2049032910        3.0890397954       -2.0032409736
HM3         3.6782707879       -3.2589356803        0.0614910444
HM4         2.5953290770       -4.3471964299       -0.8281310020
HM5         2.1274066212       -3.7362946301        0.7706036524
HM6         3.0173526664        1.4653026565       -0.4059743043
HM7        -0.3976715878        2.6696631367        1.2832120614
HM8         0.5024209359       -0.0883131152       -1.1315307276
HM9        -2.0413136778       -0.2592468555        3.4857142303
HM10       -3.7266686701        0.2734640059        3.4656395184
HM11       -3.2906799228       -1.2719211793        2.7345169299
HM12       -3.6611766568        0.4691838736        0.9733366151
HM13       -2.5115494914        1.5299423150        1.7480371653
HM14       -1.5387336646        0.4500852633       -0.2484505117
HM15       -0.9055544199       -1.9472979044       -0.2565375819
HM16       -1.7627410525       -2.2271281056        1.2448703110
HM17       -3.9344775149       -1.7021773732        0.1183636788
HM18       -3.0643307383       -2.9467882792       -0.7820126181
HM19       -3.0693112720       -1.2783571513       -1.3728924887
HM20        1.5401475963        0.9076901520        1.5556001637
           43
Energy of minimum     43=      -65.0784130557 first found at step     1803
C82         2.7218813994       -2.1155863419       -0.4884503676
C81         1.9934215751       -1.6995741780        0.8039844944
C8          1.9323492036       -0.1518099004        0.9578702323
C9          2.4179263876        0.3163459687        2.3521855746
C91         3.9452150241        0.1784159018        2.5172136468
O7          0.5595225250        0.3157318015        0.8035505092
C6         -0.0267073241        0.2862066161       -0.5254087299
C7          0.5001006388        1.4606844196       -1.3319094622
C2         -0.2685981773        2.2399290490       -2.1280399425
C1          0.3084252244        3.3729780409       -2.9324291677
O1B        -0.4225768712        4.0638982679       -3.6230132918
O1A         1.5053623412        3.6073721664       -2.8882087196
C3         -1.7657017807        1.9950201672       -2.2662018241
C4         -2.1972112248        0.6034018399       -1.7492552507
N4         -3.6765627735        0.5154348677       -1.7010140821
HAB        -3.9127918287       -0.4069908176       -1.3270762802
HAA        -4.0090601401        1.1616664652       -0.9802887473
C5         -1.5622828062        0.3367025631       -0.3594476850
N5         -2.0594838834       -0.9005589435        0.2886805831
HAD        -1.6062585623       -1.7684256475        0.0457360777
C10        -3.0142500553       -0.9466075035        1.2386642905
C11        -3.2974447047       -2.3259958940        1.7980133411
O10        -3.6007857644        0.0583449143        1.6058646711
HM1        -2.3031488531        2.7684218778       -1.7118158882
HM2        -2.0762112210        2.0798882006       -3.3103490343
HM3        -2.3943753057       -2.7444895332        2.2495190761
HM4        -3.6240502779       -2.9986754409        1.0009746402
HM5        -4.0796993718       -2.2847846745        2.5601700786
HM6        -1.8245782796       -0.1555870366       -2.4473127872
HM7         1.5686674699        1.6484991092       -1.2548924831
HM8        -1.7913794532        1.1936826450        0.2827269516
HM9         2.2219610952       -1.7105104625       -1.3704234308
HM10        3.7531533955       -1.7550831593       -0.4791787340
HM11        2.7413189317       -3.2041118839       -0.5759937781
HM12        0.9855670166       -2.1226716673        0.8020980665
HM13        2.5120520605       -2.1541128744        1.6507949875
HM14        2.5621449550        0.3279135031        0.2027464280
HM15        2.1542290360        1.3680547183        2.4912031526
HM16        1.9111155430       -0.2508300224        3.1374176654
HM17        4.2617846922       -0.8638079897        2.4440529040
HM18        4.2518915671        0.5570501241        3.4947226072
HM19        4.4678169016        0.7538544052        1.7496436264
HM20        0.2372516754       -0.6492836616       -1.0271239185
           43
Energy of minimum     44=      -65.0397020377 first found at step      425
C82         2.7643517179       -2.0995821607        0.3557787187
C81         1.9322305167       -2.4539998658       -0.8920744830
C8          0.5376966078       -1.7813912464       -0.8606798440
C9         -0.3967428454       -2.3118512598       -1.9827612986
C91         0.1062020944       -2.0192997231       -3.4126452178
O7          0.7090215437       -0.3392136919       -0.9827438401
C6         -0.3790615441        0.4893191398       -0.4970337974
C7         -0.5920807104        1.5839171835       -1.5227021096
C2         -0.7576784995        2.8932834462       -1.2245458040
C1         -0.9981816080        3.9287470721       -2.2895037319
O1B        -1.1221429941        5.1027876651       -1.9811475865
O1A        -1.0613204679        3.5977111394       -3.4625833685
C3         -0.7282130049        3.3859084332        0.2161270938
C4         -0.9192554634        2.2520294681        1.2499788003
N4         -0.6269762619        2.7655593453        2.6114447264
HAB        -1.3267349748        3.4725713035        2.8543475388
HAA        -0.7855749393        1.9997948608        3.2710969075
C5         -0.0051569708        1.0483617524        0.8991989786
N5          0.0564834439       -0.0042075164        1.9469676522
HAD         0.9659019924       -0.2051266818        2.3354349278
C10        -0.9824893414       -0.7154587858        2.4316474875
C11        -0.6145297059       -1.7365998652        3.4888829439
O10        -2.1247815795       -0.5475097129        2.0398949729
HM1         0.2291321478        3.8803968222        0.3990681776
HM2        -1.5073189313        4.1329066308        0.3851997077
HM3        -0.1484372631       -1.2443267406        4.3461103449
HM4         0.0955163003       -2.4620115033        3.0836472224
HM5        -1.4998885312       -2.2748180531        3.8366924232
HM6        -1.9629840474        1.9208992822        1.2080773657
HM7        -0.6217782278        1.2449966849       -2.5567994671
HM8         1.0042006655        1.4610431672        0.8025737040
HM9         2.2464709752       -2.4116896809        1.2655987209
HM10        3.7300598099       -2.6085815336        0.3205233569
HM11        2.9481852911       -1.0242474189        0.4107171970
HM12        2.4830400327       -2.1517345838       -1.7859271592
HM13        1.8114870024       -3.5393371270       -0.9340153977
HM14        0.0748611354       -2.0103080170        0.1034379690
HM15       -0.5169194287       -3.3916257238       -1.8655851619
HM16       -1.3918110781       -1.8773529170       -1.8635092607
HM17        0.2442094261       -0.9475921852       -3.5696298152
HM18       -0.6228879464       -2.3764500591       -4.1431898249
HM19        1.0525744451       -2.5265585250       -3.6098734646
HM20       -1.2986787828       -0.0993588186       -0.4254963051
           43
Energy of minimum     45=      -64.9982474993 first found at step       39
C82        -0.4574776063       -2.1897059133        3.5979309306
C81         0.4352270966       -1.7393495069        2.4246480105
C8         -0.3700678078       -1.4356083902        1.1341195403
C9         -1.1437187441       -2.6589844444        0.5618115318
C91        -0.2427468466       -3.8559979352        0.1909557718
O7          0.5667214427       -0.9258789418        0.1406301255
C6          0.0201100812       -0.1088444994       -0.9283826224
C7          0.7452295510       -0.5132048768       -2.1962951627
C2          1.2352060561        0.3567024009       -3.1095013638
C1          1.9210659139       -0.1074944474       -4.3657306652
O1B         2.3666805310        0.7103689629       -5.1538832488
O1A         2.0402019454       -1.3006218591       -4.5933192644
C3          1.0948506987        1.8608585117       -2.9193363982
C4          0.0207880306        2.2349104599       -1.8718452211
N4          0.0775843175        3.6923000093       -1.5899892570
HAB         1.0060586561        3.9246806763       -1.2280432585
HAA        -0.0002318415        4.2053745942       -2.4729277778
C5          0.2175576252        1.3897919652       -0.5852330273
N5         -0.6663324455        1.8213398709        0.5237371982
HAD        -1.6572130266        1.8555181703        0.3407426387
C10        -0.2471433483        2.2286473693        1.7382338219
C11        -1.3532642080        2.6199224954        2.6975694567
O10         0.9363030769        2.2713530695        2.0330256242
HM1         2.0603904139        2.2690985439       -2.6098644627
HM2         0.8326221019        2.3454324838       -3.8630325033
HM3        -2.0198590864        1.7716052372        2.8727754653
HM4        -1.9448915946        3.4393738773        2.2817387585
HM5        -0.9415866187        2.9413413661        3.6576427348
HM6        -0.9649279419        1.9972299680       -2.2890458482
HM7         0.8447504733       -1.5870688863       -2.3469927710
HM8         1.2609119656        1.5126975440       -0.2789452877
HM9        -0.9180307034       -3.1585032358        3.3946032318
HM10       -1.2467214013       -1.4579474221        3.7853889292
HM11        0.1406529012       -2.2871884318        4.5065991799
HM12        0.9626507804       -0.8318964800        2.7291417188
HM13        1.1979821137       -2.4980000284        2.2352362387
HM14       -1.0948690338       -0.6521473428        1.3724945492
HM15       -1.8946195241       -2.9890560754        1.2825932399
HM16       -1.6987451979       -2.3528141411       -0.3275528318
HM17        0.5272882858       -3.5606332135       -0.5248928699
HM18       -0.8434544041       -4.6459189056       -0.2651228475
HM19        0.2421352649       -4.2742036818        1.0751231527
HM20       -1.0470679426       -0.3174789169       -1.0568051599
           43
Energy of minimum     46=      -64.9480479538 first found at step       83
C82        -1.8175976657       -0.8875949079        2.7670780221
C81        -2.2707985848        0.2267163808        1.7995370401
C8         -2.2695734360       -0.1928894901        0.3032169577
C9         -3.2558119174       -1.3535807460        0.0217884465
C91        -3.4147745334       -1.6145449040       -1.4887696113
O7         -0.9326394772       -0.6050070660       -0.1070421649
C6          0.0169010094        0.4523033152       -0.4051300778
C7         -0.2300130500        0.9396269425       -1.8216408460
C2          0.7442019296        1.1612365813       -2.7342126287
C1          0.4392117651        1.6762927086       -4.1149844411
O1B         1.3437564053        1.8415025777       -4.9170034762
O1A        -0.7122140189        1.9214311533       -4.4369614828
C3          2.2108058817        0.9170561329       -2.4039086472
C4          2.4858700578        0.8169011074       -0.8848894772
N4          3.8765011449        0.3389778794       -0.6626164307
HAB         3.9954479679       -0.5687459021       -1.1192369935
HAA         4.5235025484        0.9664264604       -1.1485722647
C5          1.4419591166       -0.1201567690       -0.2173646000
N5          1.7268713429       -0.4564579975        1.2011576122
HAD         1.8433955379       -1.4327188465        1.4236483943
C10         1.8666991067        0.4183061578        2.2192511578
C11         2.1796334858       -0.2155018557        3.5606232646
O10         1.7421754379        1.6233908535        2.0711087044
HM1         2.5292850461       -0.0080277938       -2.8912156682
HM2         2.8343491660        1.7183113128       -2.8079336884
HM3         3.1183555571       -0.7726579105        3.5074770079
HM4         1.3863955630       -0.9102813938        3.8476232681
HM5         2.2718200904        0.5452391379        4.3399374324
HM6         2.3805054680        1.8187584103       -0.4537120482
HM7        -1.2705759703        1.1257343430       -2.0790648536
HM8         1.4702818566       -1.0580776229       -0.7810229790
HM9        -0.8264237926       -1.2601344494        2.5026365007
HM10       -1.7722336655       -0.4992161579        3.7868423455
HM11       -2.5181056092       -1.7249162989        2.7592384100
HM12       -3.2775846391        0.5466488147        2.0789804525
HM13       -1.6247637286        1.0965280974        1.9358603140
HM14       -2.5835195490        0.6691832109       -0.2933011842
HM15       -2.9159293826       -2.2712343494        0.5077733556
HM16       -4.2355606064       -1.1068647719        0.4384018598
HM17       -3.7712657522       -0.7169936433       -1.9993787933
HM18       -4.1386106450       -2.4147712544       -1.6579439781
HM19       -2.4644800381       -1.9149954193       -1.9357889003
HM20       -0.1254494231        1.2847979725        0.2895146889
           43
Energy of minimum     47=      -64.8967909085 first found at step      305
C82        -0.9892576673        3.5271701282        0.0278984686
C81        -0.5025383983        2.7190526486        1.2478789002
C8         -1.2782500581        1.3814707648        1.4133769237
C9         -1.6133305579        1.1285856559        2.9042822448
C91        -2.4589812960       -0.1449886325        3.1047207566
O7         -0.4767556259        0.2520324198        0.9468699274
C6         -0.1651199437        0.1294003856       -0.4674825298
C7         -1.4191560255       -0.2481266404       -1.2390874626
C2         -1.4628966149       -1.1980647500       -2.2020997806
C1         -2.7255859179       -1.5076661410       -2.9599130175
O1B        -2.7271540659       -2.3845765589       -3.8082400493
O1A        -3.7504416744       -0.8896482868       -2.7207106171
C3         -0.2203002895       -1.9891541526       -2.5886149100
C4          1.0877733890       -1.3266773790       -2.0981198366
N4          2.2351635637       -2.2401973998       -2.3334799141
HAB         2.0919566219       -3.0964358398       -1.7918757221
HAA         2.2303654167       -2.5366503470       -3.3134737427
C5          0.9459014364       -0.9375768314       -0.6020849337
N5          2.2109637990       -0.4602609163        0.0047580870
HAD         2.5167573543        0.4714195129       -0.2267613980
C10         2.9980526253       -1.1843031584        0.8244587550
C11         4.2533667492       -0.4770475219        1.2956685718
O10         2.7067485704       -2.3214527142        1.1609246636
HM1        -0.2968106979       -2.9950459679       -2.1678505915
HM2        -0.1583145857       -2.1021547605       -3.6737446040
HM3         3.9937140879        0.4350760689        1.8390219505
HM4         4.8765091855       -0.1999559787        0.4416062594
HM5         4.8384746193       -1.1203776744        1.9577447299
HM6         1.2474537770       -0.4094372716       -2.6773660478
HM7        -2.3159519480        0.3154842613       -0.9941340112
HM8         0.6056180098       -1.8271257817       -0.0629219759
HM9        -2.0446626636        3.7864898197        0.1389648745
HM10       -0.4189780098        4.4546051045       -0.0591714843
HM11       -0.8701773193        2.9668055150       -0.9003488714
HM12        0.5706445166        2.5295550939        1.1624622539
HM13       -0.6382487719        3.3453159029        2.1332895646
HM14       -2.2214250334        1.4286069477        0.8617853768
HM15       -0.6919622834        1.0511121647        3.4876760457
HM16       -2.1758211634        1.9791455362        3.2977380794
HM17       -3.3862642426       -0.0856289896        2.5302254596
HM18       -2.7171485126       -0.2617981583        4.1595365854
HM19       -1.9103169590       -1.0353300341        2.7896311431
HM20        0.2263866041        1.0783539559       -0.8430381216
           43
Energy of minimum     48=      -64.8616888084 first found at step     1896
C82         2.8434643459        0.4426842305       -2.2632242554
C81         1.4864233423        0.4997439298       -2.9929078405
C8          0.3065725580        0.1217300595       -2.0637180134
C9         -1.0287284199        0.0934568992       -2.8601222425
C91        -1.9051501905       -1.1206152733       -2.4923448901
O7          0.2546458793        1.1169176006       -0.9961172435
C6         -0.6002769171        0.9091342137        0.1612976042
C7         -0.7881250483        2.2941745474        0.7519358319
C2         -0.5520607238        2.6299110576        2.0403067059
C1         -0.7811149266        4.0244577760        2.5576741877
O1B        -0.5382590013        4.2913784279        3.7231946125
O1A        -1.1999307578        4.8932708389        1.8096737685
C3         -0.0798316288        1.5881191122        3.0398453755
C4         -0.4444234658        0.1564105539        2.5951908936
N4          0.1355648959       -0.8213936595        3.5485158661
HAB        -0.3197784028       -0.7081757281        4.4587210655
HAA        -0.1236758974       -1.7599445134        3.2350294847
C5          0.0486629235       -0.1054504307        1.1470081739
N5         -0.2028609866       -1.5087866507        0.7343673097
HAD        -1.1643312134       -1.7980490711        0.6323762875
C10         0.7483209654       -2.4419346486        0.5247622143
C11         0.2250155075       -3.8105525555        0.1390175081
O10         1.9365146577       -2.1873732069        0.6274750634
HM1         1.0036488018        1.6668420715        3.1588489738
HM2        -0.5227391628        1.7612869881        4.0233227384
HM3        -0.3601356237       -3.7465237333       -0.7818290435
HM4        -0.4205412003       -4.2058048929        0.9273080265
HM5         1.0475697004       -4.5122427868       -0.0207368652
HM6        -1.5362585555        0.0560262415        2.6065547482
HM7        -1.1416049762        3.0442478170        0.0460043453
HM8         1.1261049790        0.0862402569        1.1434646622
HM9         3.0175765849       -0.5542816957       -1.8522219913
HM10        3.6535319959        0.6715128572       -2.9591690271
HM11        2.8826998074        1.1676701781       -1.4472233042
HM12        1.3340099183        1.5009149248       -3.4048122437
HM13        1.5209128495       -0.1959546898       -3.8352123801
HM14        0.5167081369       -0.8666178888       -1.6518946940
HM15       -1.5902768025        1.0169776363       -2.6971222590
HM16       -0.8251107647        0.0387092854       -3.9325519968
HM17       -1.3696704591       -2.0524533599       -2.6883136148
HM18       -2.8166150343       -1.1198037608       -3.0941508850
HM19       -2.1952189338       -1.1036032355       -1.4414873270
HM20       -1.5812287567        0.5477442775       -0.1567353304
           43
Energy of minimum     49=      -64.8377580839 first found at step       59
C82         1.6124275493        2.7701302831        3.2226263032
C81         0.6494780967        1.8703401167        2.4211552583
C8          1.3670270067        0.6811692906        1.7224643893
C9          2.3296997355        1.1216696793        0.5866812781
C91         3.2710732680       -0.0250627983        0.1701005979
O7          0.4091403173       -0.3117455302        1.2213971662
C6         -0.6778745075        0.1058237069        0.3434875411
C7         -1.9536407302        0.1241471303        1.1699916931
C2         -3.1369992855       -0.3975756226        0.7722270707
C1         -4.3712493111       -0.3240502686        1.6299311694
O1B        -5.4138749082       -0.8250562947        1.2417815865
O1A        -4.3289880036        0.2271110550        2.7180595439
C3         -3.2841299005       -1.0671916154       -0.5852741564
C4         -2.1368717364       -0.6988061222       -1.5503980003
N4         -2.2379708944       -1.5144135485       -2.7849152941
HAB        -1.4523459847       -1.2543449236       -3.3856599531
HAA        -2.0433608659       -2.4883832470       -2.5377748571
C5         -0.7662155836       -0.8860306957       -0.8446623095
N5          0.3762321682       -0.7187448231       -1.7748726867
HAD         0.6916989586        0.2208468641       -1.9624945033
C10         1.0284365972       -1.7271349150       -2.3880904279
C11         2.1486908460       -1.3005561066       -3.3153400733
O10         0.7181829889       -2.8930986108       -2.2078420204
HM1        -3.3093835200       -2.1510664064       -0.4478904072
HM2        -4.2281368924       -0.7838842035       -1.0569033620
HM3         2.6438837128       -2.1704285932       -3.7541228903
HM4         2.8939707863       -0.7156697235       -2.7718125548
HM5         1.7540785598       -0.6808622532       -4.1243852182
HM6        -2.2403492328        0.3584630273       -1.8218742295
HM7        -1.8755164436        0.6048365024        2.1412790544
HM8        -0.7418185655       -1.8970618871       -0.4248582974
HM9         2.2948634132        3.3114394133        2.5652310059
HM10        1.0439785947        3.5090329012        3.7917568243
HM11        2.1999457053        2.1769883434        3.9271847365
HM12       -0.0861749494        1.4761872733        3.1249131071
HM13        0.1164976524        2.4832537363        1.6904102179
HM14        1.9676813901        0.1765836806        2.4862295968
HM15        1.7675344097        1.4762205108       -0.2797831118
HM16        2.9535305899        1.9525475706        0.9185891125
HM17        3.9074061527       -0.3194715219        1.0078191708
HM18        3.9161441592        0.2959599985       -0.6505826440
HM19        2.7087377646       -0.9014743884       -0.1551764375
HM20       -0.4854391081        1.1093630161       -0.0486029887
           43
Energy of minimum     50=      -64.8018963974 first found at step      412
C82         0.7321924282        2.9960298502       -2.5955757599
C81         1.7546055987        2.4580392205       -1.5764427059
C8          1.1140159522        1.4828307053       -0.5548821906
C9          2.1248201144        1.1146815977        0.5665000650
C91         3.3050594132        0.2383961385        0.0936242557
O7          0.6688858160        0.2871848797       -1.2709049527
C6         -0.6202897611       -0.3181913472       -0.9514238803
C7         -1.7339840307        0.6972333497       -1.1290799656
C2         -2.8266617944        0.7645635745       -0.3341928586
C1         -3.9244938317        1.7662929530       -0.5684520170
O1B        -4.8848239096        1.8031322159        0.1831780991
O1A        -3.8504314469        2.5485168845       -1.5021512135
C3         -3.0132646019       -0.2013563066        0.8292067063
C4         -2.0889709857       -1.4390632514        0.7350612411
N4         -2.1996737089       -2.2462363062        1.9763328233
HAB        -1.8465421464       -1.6949093336        2.7626315750
HAA        -3.1884819424       -2.4142376369        2.1809091023
C5         -0.6315795499       -0.9778015640        0.4508232327
N5          0.3637066717       -2.0721554143        0.5256183567
HAD         0.5148340648       -2.6206651234       -0.3062829374
C10         1.0819836536       -2.3937761057        1.6200989775
C11         2.0322311908       -3.5609148754        1.4400094028
O10         0.9759199726       -1.7764070697        2.6680895600
HM1        -2.8155904866        0.3280573904        1.7648346290
HM2        -4.0475294037       -0.5512605587        0.8743331296
HM3         2.5822142192       -3.7624081396        2.3627409331
HM4         2.7528363316       -3.3442723860        0.6473095431
HM5         1.4791277922       -4.4615850898        1.1619528646
HM6        -2.4259241968       -2.0544836227       -0.1076518284
HM7        -1.6193006697        1.3770177923       -1.9707618100
HM8        -0.3861935515       -0.2158030860        1.1935508684
HM9        -0.0956655356        3.4938569030       -2.0856094767
HM10        1.2097034103        3.7201341804       -3.2593224133
HM11        0.3309792370        2.1872308419       -3.2100499497
HM12        2.5669687329        1.9663750565       -2.1165765333
HM13        2.1881133104        3.3073042042       -1.0424453308
HM14        0.2575479950        1.9873932654       -0.0970327239
HM15        2.5236612109        2.0339491219        1.0023929269
HM16        1.6067623841        0.6035790311        1.3766704479
HM17        2.9519708346       -0.6996370810       -0.3394224671
HM18        3.9499856430       -0.0042611680        0.9409634689
HM19        3.9112357256        0.7595154546       -0.6496851045
HM20       -0.7799601492       -1.1118891446       -1.6888860895
           43
Energy of minimum     51=      -64.7664093675 first found at step       15
C82         2.4681209926        1.0047175531        2.9372269348
C81         2.4576928954        1.2588594606        1.4164652077
C8          2.1232847857       -0.0316905071        0.6205283493
C9          2.4223298422        0.0926800709       -0.8990057898
C91         3.9325453273        0.1031908386       -1.2102438003
O7          0.7379912229       -0.4596028419        0.8409006709
C6         -0.3648483431        0.3687088622        0.3674735301
C7         -1.0085582996        1.0466708419        1.5642222830
C2         -2.3430081366        1.1257826837        1.7753876082
C1         -2.9215481979        1.8429064162        2.9650814008
O1B        -4.1302569439        1.8748189888        3.1287246658
O1A        -2.1835192260        2.3845846965        3.7721664483
C3         -3.3339741896        0.5123283625        0.7962319661
C4         -2.6985126074        0.2074520614       -0.5784307252
N4         -3.6469912363       -0.5675119464       -1.4146057269
HAB        -3.1726741209       -0.7761521510       -2.2966694660
HAA        -3.7746387207       -1.4863514378       -0.9823139125
C5         -1.3590363148       -0.5496049685       -0.3842601085
N5         -0.7789126079       -1.0354419898       -1.6586477314
HAD        -0.2577790433       -0.3748834989       -2.2149380167
C10        -0.8364941653       -2.3073340146       -2.1008621359
C11        -0.1089100495       -2.5670753068       -3.4043673574
O10        -1.4398565211       -3.1723857658       -1.4874592100
HM1        -3.7315804448       -0.4111254326        1.2245285885
HM2        -4.1839626948        1.1798331026        0.6357203015
HM3         0.9540353507       -2.3364471720       -3.2979777736
HM4        -0.5171699498       -1.9371433049       -4.1986779136
HM5        -0.2087136543       -3.6131076657       -3.7049171120
HM6        -2.4851155859        1.1585598236       -1.0804557884
HM7        -0.3201396675        1.5078554218        2.2666746132
HM8        -1.5569348273       -1.4070587722        0.2673523079
HM9         3.2447442938        0.2817956171        3.1972998081
HM10        2.6747196211        1.9339537621        3.4726704820
HM11        1.5096646324        0.6149963811        3.2841835259
HM12        1.7520878005        2.0559699336        1.1725973900
HM13        3.4476009467        1.6234761125        1.1375934823
HM14        2.7586053827       -0.8346632313        1.0082235273
HM15        1.9825722200       -0.7594617574       -1.4210498780
HM16        1.9703591417        0.9991456078       -1.3080728522
HM17        4.4176296886        0.9920588794       -0.8031768828
HM18        4.0902881102        0.1014368251       -2.2910424666
HM19        4.4188156004       -0.7821916479       -0.7942808380
HM20        0.0000476933        1.1374511098       -0.3197976058
           43
Energy of minimum     52=      -64.7141321009 first found at step      672
C82         0.3649855968       -0.6386912733       -4.2779392153
C81         0.0614869621        0.4229819661       -3.2018576234
C8         -0.2973021301       -0.1908563808       -1.8228355970
C9         -1.5771269690       -1.0779786995       -1.8433502485
C91        -2.8656735724       -0.3125923045       -2.2115325443
O7         -0.4309418913        0.9209410364       -0.8851121218
C6         -0.6368565133        0.6743575747        0.5362870103
C7         -1.0220424751        2.0284016072        1.1031486266
C2         -0.4272914122        2.6277841340        2.1594694359
C1         -0.8774732027        3.9679584066        2.6755240207
O1B        -0.3018906386        4.4833683284        3.6197738681
O1A        -1.8108005984        4.5465198001        2.1428060098
C3          0.7048856413        1.9416159065        2.9047589733
C4          0.6724735072        0.4112286991        2.7089826758
N4          1.8391503668       -0.2045444835        3.3922668413
HAB         2.6989582901        0.1586272677        2.9732072298
HAA         1.8602914082        0.1111536468        4.3659765696
C5          0.6356827894        0.0650067659        1.1939182955
N5          0.7159296409       -1.3991537664        0.9716053010
HAD        -0.0858295377       -1.9528617634        1.2310011391
C10         1.8131488620       -2.0610934348        0.5533651473
C11         1.6656004357       -3.5679502994        0.4896387381
O10         2.8350829272       -1.4759645185        0.2328510585
HM1         1.6612954132        2.3371164645        2.5534862785
HM2         0.6466777783        2.1483081037        3.9760695447
HM3         0.8540439940       -3.8404895264       -0.1899076112
HM4         1.4318643092       -3.9687508020        1.4791436421
HM5         2.5873694384       -4.0355567948        0.1344124287
HM6        -0.2446087975        0.0262738359        3.1705477523
HM7        -1.8446853105        2.5197852807        0.5856574822
HM8         1.5003631337        0.5505557252        0.7310775136
HM9        -0.5306244181       -1.2065646234       -4.5372382971
HM10        0.7284666913       -0.1550543300       -5.1872964399
HM11        1.1332965321       -1.3329857639       -3.9299547834
HM12        0.9502826043        1.0482577441       -3.0840737154
HM13       -0.7394274142        1.0773952821       -3.5532337967
HM14        0.5498085361       -0.8085430198       -1.5192741677
HM15       -1.4422746812       -1.9028573200       -2.5454366297
HM16       -1.7117552971       -1.5477579987       -0.8671488164
HM17       -3.0388048293        0.5184580555       -1.5244685478
HM18       -3.7256236940       -0.9833971189       -2.1539404598
HM19       -2.8149014416        0.0789564608       -3.2292650928
HM20       -1.4852100337       -0.0014078698        0.6788901253
           43
Energy of minimum     53=      -64.6814488871 first found at step      121
C82         2.2801913392       -2.9867844571        1.0092286083
C81         2.4084559656       -1.7705843134        0.0666822917
C8          1.8741324384       -0.4417757043        0.6629511312
C9          2.6544194028       -0.0205336515        1.9366989455
C91         2.3232853921        1.4131813798        2.3939291282
O7          0.4585419284       -0.6055573251        0.9722336883
C6         -0.4396808063        0.4757670901        0.6062805047
C7         -1.5232376351        0.4991399421        1.6663594002
C2         -2.8477583069        0.6010459730        1.4102137982
C1         -3.8724688681        0.6456873516        2.5111708302
O1B        -5.0590095964        0.7178529833        2.2362525800
O1A        -3.5194510965        0.6004901178        3.6786130458
C3         -3.3668444115        0.7021264652       -0.0168173499
C4         -2.2665958913        1.1119444399       -1.0219629312
N4         -2.7934425473        1.0202408722       -2.4079114890
HAB        -3.0586100920        0.0503611248       -2.5973780660
HAA        -3.6646780312        1.5545242847       -2.4697857914
C5         -1.0057024345        0.2284560456       -0.8167470149
N5          0.0189946143        0.4467801107       -1.8651642314
HAD         0.4999137324        1.3326006396       -1.8699579801
C10         0.2931574914       -0.4109300584       -2.8683036713
C11         1.3572814301        0.0608875891       -3.8389051792
O10        -0.2730346446       -1.4874959870       -2.9715218022
HM1        -3.7858929978       -0.2635707360       -0.3109439120
HM2        -4.1761694411        1.4335057438       -0.0814728128
HM3         1.0518889702        0.9977058203       -4.3117010341
HM4         1.5293477518       -0.6827638798       -4.6211413296
HM5         2.2993207459        0.2348574798       -3.3126208736
HM6        -1.9898008742        2.1539667473       -0.8224418182
HM7        -1.1632995420        0.4357968466        2.6921435523
HM8        -1.3330970576       -0.8152036840       -0.8508364978
HM9         1.2414626748       -3.1463043621        1.3064905554
HM10        2.6278026954       -3.8886924294        0.5007106445
HM11        2.8859809566       -2.8561508558        1.9080206683
HM12        3.4587573670       -1.6440406329       -0.2072605401
HM13        1.8699984402       -1.9861444863       -0.8588138400
HM14        2.0032344119        0.3330243185       -0.0983696737
HM15        2.4455577415       -0.7107496311        2.7574788709
HM16        3.7266988216       -0.0756819754        1.7328273788
HM17        2.4927487346        2.1266328875        1.5842084618
HM18        2.9602980240        1.6939743564        3.2355343271
HM19        1.2840964437        1.4904855297        2.7191092381
HM20        0.0932067601        1.4319280302        0.6329201891
           43
Energy of minimum     54=      -64.6455802803 first found at step      118
C82         3.0147065962       -2.1937454875       -1.7216767670
C81         2.1274759455       -1.1287358344       -1.0469104583
C8          0.7768870783       -0.9056874147       -1.7862121844
C9          0.9286393942       -0.4641796099       -3.2674503184
C91         1.7451262157        0.8319643031       -3.4604170812
O7          0.0059456870        0.1163028797       -1.0909450305
C6         -0.6990742997       -0.2908317372        0.1110444982
C7         -2.0299575048       -0.9005044916       -0.2884229347
C2         -3.2077880905       -0.6216144632        0.3171310015
C1         -4.4937397582       -1.2819527909       -0.1005979523
O1B        -5.5387604987       -0.9882028644        0.4565135872
O1A        -4.4945732737       -2.1054471353       -1.0014422834
C3         -3.2911120407        0.3692629209        1.4716859125
C4         -1.9173396480        0.6771859435        2.1122386780
N4         -2.0423978333        1.8327541343        3.0349430885
HAB        -2.6481532300        1.5661699585        3.8162969062
HAA        -1.1232885184        1.9905680417        3.4561633113
C5         -0.8667104411        0.9579047186        1.0062194935
N5          0.4425183605        1.4669873596        1.4917288673
HAD         0.7734848476        2.3278449213        1.0829776843
C10         1.2642378636        0.8597105606        2.3727491570
C11         2.5728790614        1.5821624141        2.6223067828
O10         0.9705446336       -0.1886286355        2.9225848222
HM1        -3.7313903524        1.2996817011        1.1042794418
HM2        -3.9535570967       -0.0058247057        2.2553297591
HM3         3.1373035129        1.6758086738        1.6910216236
HM4         3.1862598811        1.0399833268        3.3464329038
HM5         2.3843491939        2.5864006560        3.0101732946
HM6        -1.5998997065       -0.2038440465        2.6811107230
HM7        -1.9911405280       -1.6144703390       -1.1087725583
HM8        -1.3000663480        1.7384509088        0.3726978937
HM9         3.3552901252       -1.8609812536       -2.7041504813
HM10        2.4684837067       -3.1325177245       -1.8388564669
HM11        3.8980843406       -2.3867365637       -1.1090156662
HM12        1.9321526113       -1.4603772770       -0.0252607316
HM13        2.6813536636       -0.1901550707       -0.9705627700
HM14        0.2119265478       -1.8431210339       -1.7770793226
HM15        1.3883476161       -1.2671693980       -3.8476520469
HM16       -0.0677392506       -0.3153429737       -3.6912670159
HM17        1.7480698964        1.1157400203       -4.5150710838
HM18        2.7824966883        0.6958933279       -3.1486928253
HM19        1.3130955476        1.6566760086       -2.8894063108
HM20       -0.1129705957       -1.0373819283        0.6542328599
           43
Energy of minimum     55=      -64.6215807647 first found at step      536
C82        -1.6485602543       -0.3700763638       -3.2630121823
C81        -1.6021476249       -0.9450993276       -1.8341617388
C8         -0.1746030039       -1.4353153736       -1.4541919780
C9         -0.0438420846       -2.9796431368       -1.4793797971
C91        -0.2100042405       -3.5758266273       -2.8910189309
O7          0.1504812857       -0.9933465044       -0.1049617350
C6          0.5593815325        0.3921892014        0.0473852013
C7          2.0394039621        0.4994256239       -0.2727298010
C2          2.9265417239        1.2100650494        0.4612866026
C1          4.3789001238        1.3085721789        0.0805604489
O1B         5.1506888084        1.9435364938        0.7804589149
O1A         4.7876723978        0.7479991778       -0.9235672002
C3          2.4926406103        1.9665007053        1.7098481588
C4          0.9616875890        2.1650180141        1.7975313073
N4          0.5994631509        2.6806506844        3.1408705877
HAB         0.9849244890        3.6232810738        3.2501680259
HAA        -0.4162572468        2.8024757415        3.1714499969
C5          0.2312262165        0.8331267093        1.4926805735
N5         -1.2363205430        0.9166211932        1.6906263092
HAD        -1.7397808575        1.6099483021        1.1587728508
C10        -1.9641867362        0.0803486488        2.4576624217
C11        -3.4603145077        0.3200619869        2.4201597880
O10        -1.4468941505       -0.7966849864        3.1307535716
HM1         2.8326973737        1.4158265392        2.5905570791
HM2         2.9658477921        2.9504830812        1.7493707381
HM3        -3.6911787406        1.3334075178        2.7582780510
HM4        -3.9855754415       -0.3890263398        3.0650222450
HM5        -3.8367889654        0.2060463730        1.4003940139
HM6         0.6605589904        2.8998840732        1.0414484487
HM7         2.3680769429       -0.0307307406       -1.1644181721
HM8         0.6463360737        0.0802303913        2.1696810463
HM9        -1.3505343351       -1.1186680673       -3.9994615928
HM10       -2.6616003261       -0.0395985674       -3.5027377357
HM11       -0.9792642144        0.4887848606       -3.3521491407
HM12       -1.9381337754       -0.1670260374       -1.1446571656
HM13       -2.3229431552       -1.7621399875       -1.7491179236
HM14        0.5616153313       -1.0136970637       -2.1459557980
HM15        0.9447168195       -3.2578290876       -1.1049716612
HM16       -0.7805721995       -3.4295735808       -0.8086220172
HM17       -1.2249240983       -3.4263417609       -3.2646385985
HM18       -0.0158418303       -4.6504058117       -2.8683346650
HM19        0.4930743409       -3.1162917860       -3.5895287403
HM20       -0.0056672225        1.0228375297       -0.6473498075
           43
Energy of minimum     56=      -64.5721515757 first found at step      176
C82        -1.9939879879       -2.3525585191        1.4653594274
C81        -1.0000543176       -1.7698806645        2.4897759119
C8          0.0554487203       -0.8536823538        1.8200148686
C9          1.0869588336       -0.3026137880        2.8412682170
C91         2.0317538615       -1.3938095856        3.3831886745
O7         -0.6378145722        0.2665254731        1.1975837509
C6          0.0549432964        0.9407588029        0.1147402382
C7         -0.1400379463        2.4281120631        0.3265154196
C2         -0.4770297813        3.3040483111       -0.6481558874
C1         -0.6243295622        4.7771866075       -0.3793471053
O1B        -0.9496582944        5.5318021131       -1.2812773358
O1A        -0.4271904771        5.2178362637        0.7416693999
C3         -0.7073892506        2.8424017751       -2.0810282162
C4         -0.1248113991        1.4391868913       -2.3688981397
N4         -0.6076481564        0.9610682118       -3.6883150937
HAB        -0.2245668156        1.5674643075       -4.4191399688
HAA        -0.1861175197        0.0444589294       -3.8582113052
C5         -0.5210852448        0.4527471224       -1.2387453222
N5         -0.2024188112       -0.9706944238       -1.5247806170
HAD        -0.9783465078       -1.6157726295       -1.5376671667
C10         1.0202597409       -1.4850823580       -1.7712739816
C11         1.0429498936       -2.9808495631       -2.0119624165
O10         2.0245583566       -0.7941459566       -1.7907379186
HM1        -1.7823279949        2.8316142338       -2.2782683501
HM2        -0.2630341931        3.5452602054       -2.7896580098
HM3         2.0606699362       -3.3299730027       -2.2039702137
HM4         0.4199960570       -3.2362889695       -2.8728265851
HM5         0.6533799980       -3.5105911498       -1.1388874321
HM6         0.9677882315        1.5190309052       -2.3943904113
HM7         0.0275487154        2.7725741101        1.3457978880
HM8        -1.6099913593        0.5241960423       -1.1511269341
HM9        -2.5678520471       -1.5607513135        0.9788085798
HM10       -2.6972611485       -3.0227763058        1.9645030794
HM11       -1.4652325498       -2.9225919595        0.6980364243
HM12       -1.5484926309       -1.2131014832        3.2540079661
HM13       -0.5049092465       -2.6044041407        2.9896536484
HM14        0.5805317962       -1.4274426685        1.0509511886
HM15        1.7013295215        0.4655776041        2.3662438800
HM16        0.5675115332        0.1741520913        3.6764995568
HM17        2.5335858597       -1.9116028933        2.5625189855
HM18        1.4895047312       -2.1283051316        3.9814070673
HM19        2.7961742499       -0.9429426735        4.0198705383
HM20        1.1266944817        0.7238594696        0.1602537002
           43
Energy of minimum     57=      -64.5501264301 first found at step       76
C82         2.4154603619        3.2139722949        0.7923586722
C81         1.7835837938        1.8269770849        0.5606778765
C8          0.4046639353        1.6624430328        1.2618767764
C9          0.4460497777        1.8656766633        2.8009545622
C91         1.4197971608        0.9205236835        3.5373906296
O7         -0.1159829647        0.3273679389        1.0007221713
C6         -0.7280693308        0.0984739455       -0.2953493869
C7         -2.1740243206        0.5555891112       -0.2386753972
C2         -3.2152380838       -0.1473555648       -0.7430133068
C1         -4.6269211187        0.3704603194       -0.6870574601
O1B        -5.5411751294       -0.3030459263       -1.1334154340
O1A        -4.8601856108        1.4595026229       -0.1878417252
C3         -3.0094031724       -1.5006008553       -1.4132646435
C4         -1.5365669036       -1.7684635304       -1.8017805452
N4         -1.3676751515       -3.1860584730       -2.2078860223
HAB        -0.3735353842       -3.3264309463       -2.4066253019
HAA        -1.5549887150       -3.7856135251       -1.4002879832
C5         -0.6024431386       -1.4076057231       -0.6166979932
N5          0.8146946778       -1.8232679132       -0.7819164971
HAD         1.2154621796       -2.3778284460       -0.0397906558
C10         1.6486804512       -1.4529617653       -1.7763303531
C11         3.0702166525       -1.9578095816       -1.6328063887
O10         1.2807034688       -0.7665223359       -2.7147628970
HM1        -3.3522641161       -2.2851416154       -0.7341450498
HM2        -3.6160197652       -1.5795231530       -2.3185495948
HM3         3.5130748049       -1.5833809248       -0.7063758707
HM4         3.6886065228       -1.6272291688       -2.4711655326
HM5         3.0837100548       -3.0501690422       -1.6010678595
HM6        -1.2873167113       -1.1234331705       -2.6516954978
HM7        -2.3420734528        1.5221087915        0.2323794555
HM8        -0.9941209928       -1.9389225336        0.2572798796
HM9         2.6847135692        3.3564961850        1.8407722697
HM10        3.3254217544        3.3141310341        0.1966311207
HM11        1.7244326767        4.0066339771        0.4964698858
HM12        1.6616613554        1.6950681015       -0.5161641685
HM13        2.4772114910        1.0516283052        0.8942266516
HM14       -0.2902210421        2.4007375136        0.8494432488
HM15        0.7083588781        2.9006535678        3.0306593498
HM16       -0.5594173031        1.7112734168        3.2006073201
HM17        1.1867331364       -0.1253580146        3.3260484887
HM18        1.3415589989        1.0732809350        4.6159874642
HM19        2.4542386012        1.1142515121        3.2471826401
HM20       -0.2013918954        0.6694721726       -1.0650028979
           43
Energy of minimum     58=      -64.5131599694 first found at step      308
C82        -2.9032026551        0.5988464848       -1.8924343968
C81        -1.7102331967        1.0676281522       -1.0349748111
C8         -1.6173566258        0.3403602008        0.3379173886
C9         -2.9119031789        0.4380273970        1.1902466881
C91        -3.3455288490        1.8846906907        1.5113124198
O7         -0.5231066940        0.8622182733        1.1618027426
C6          0.8761648430        0.7549281019        0.7556500385
C7          1.2284354807        1.8735124381       -0.2037560547
C2          2.0968797365        1.7368120659       -1.2325055008
C1          2.4424539733        2.8834823387       -2.1428573837
O1B         3.2142836829        2.7113914471       -3.0720546243
O1A         1.9485743337        3.9839710053       -1.9569340862
C3          2.7861098602        0.4060780065       -1.5124021159
C4          2.6938078677       -0.5877482980       -0.3293912018
N4          3.1714969110       -1.9267437460       -0.7504931390
HAB         3.0628303289       -2.5551383955        0.0496733034
HAA         2.5190872424       -2.2977767213       -1.4461884201
C5          1.2380773018       -0.6455228297        0.2012737681
N5          1.0246206645       -1.6938903431        1.2266880422
HAD         1.3061030066       -1.4849725665        2.1734484727
C10         0.4334845018       -2.8841376690        1.0040291305
C11         0.2936794227       -3.7724259368        2.2229924183
O10         0.0435980311       -3.2030895392       -0.1067489510
HM1         2.3329218649       -0.0457319911       -2.3983032317
HM2         3.8430240238        0.5607885435       -1.7422825664
HM3        -0.1921797419       -4.7164661528        1.9637709545
HM4        -0.3045275387       -3.2726397897        2.9890224106
HM5         1.2768537675       -3.9922953880        2.6465485234
HM6         3.3393551266       -0.2243293303        0.4788904575
HM7         0.7426726292        2.8278847564       -0.0070731668
HM8         0.5986906139       -0.8462256303       -0.6626938772
HM9        -3.8546719077        0.8925715338       -1.4449058532
HM10       -2.8487477117        1.0499157515       -2.8856762965
HM11       -2.8902821086       -0.4872051794       -2.0097660301
HM12       -0.8060985260        0.8639319789       -1.6110028211
HM13       -1.7676734215        2.1493855752       -0.8930205094
HM14       -1.4437677642       -0.7232758468        0.1540350031
HM15       -3.7302111034       -0.0797216075        0.6853488055
HM16       -2.7520667058       -0.0951103661        2.1309278095
HM17       -2.5501272319        2.4270133731        2.0271085913
HM18       -4.2237713594        1.8742152574        2.1604681651
HM19       -3.6077491535        2.4303071289        0.6028585237
HM20        1.4700002590        0.9164868260        1.6614513810
           43
Energy of minimum     59=      -64.4871352784 first found at step     1021
C82         1.8260176044        1.0311670594        3.6233342593
C81         1.7224114469       -0.2658706532        2.7903821336
C8          1.5080692000       -0.0254306960        1.2728822786
C9          2.7056765776        0.7401636301        0.6392055361
C91         3.0938301535        0.1951591208       -0.7502015495
O7          0.2568572744        0.7144584343        1.1259993848
C6         -0.3521682895        0.8989672838       -0.1811279747
C7         -1.2960079451        2.0735250722       -0.0013345224
C2         -2.6022476345        2.0831595938       -0.3523596777
C1         -3.4721421148        3.2961059323       -0.1608421193
O1B        -4.6511744496        3.2573500949       -0.4723812270
O1A        -3.0026376378        4.3164512295        0.3168338765
C3         -3.2436295838        0.8671713472       -0.9999715793
C4         -2.1951423390       -0.0576665820       -1.6524647544
N4         -2.8554263956       -1.2826051968       -2.1659837641
HAB        -2.1238411891       -1.8833254500       -2.5535627241
HAA        -3.2146360835       -1.8128369521       -1.3678432098
C5         -1.0725071887       -0.4016884239       -0.6371632877
N5         -0.1212250404       -1.3950836805       -1.1932361301
HAD         0.5297116455       -1.0753262600       -1.8953556967
C10        -0.0713877254       -2.6984152234       -0.8504727731
C11         0.9959896991       -3.5069571865       -1.5585519985
O10        -0.8350825210       -3.1738191262       -0.0273199640
HM1        -3.8045698541        0.3100223958       -0.2456038989
HM2        -3.9566245995        1.1665122307       -1.7717658566
HM3         0.8411229398       -3.4747796669       -2.6398995647
HM4         0.9734840089       -4.5506577770       -1.2351032980
HM5         1.9860956821       -3.0977756896       -1.3427532711
HM6        -1.7417983639        0.4757412598       -2.4962665710
HM7        -0.8426213459        2.9556225065        0.4484588930
HM8        -1.5566344617       -0.8218395109        0.2505733360
HM9         2.6724007034        1.6420246494        3.3029761348
HM10        0.9148194499        1.6270680895        3.5373319260
HM11        1.9690571833        0.7853110665        4.6778201879
HM12        2.6303567998       -0.8564488454        2.9362904255
HM13        0.8949951454       -0.8674254578        3.1751702021
HM14        1.4144016199       -1.0092670036        0.8093098037
HM15        2.4825242439        1.8079553114        0.5700957376
HM16        3.5866501753        0.6431307752        1.2785646865
HM17        3.3462882126       -0.8658866615       -0.6884441316
HM18        3.9679140806        0.7294684374       -1.1289654992
HM19        2.2878616281        0.3173547158       -1.4734051292
HM20        0.4049692885        1.1892158071       -0.9128486297
           43
Energy of minimum     60=      -64.4612849609 first found at step       84
C82         1.2907896997        2.2943052957        2.1158570723
C81        -0.1054729184        1.8427874339        2.5883908651
C8         -0.8179243840        0.9566629750        1.5352120690
C9         -2.2426906938        0.5377980386        1.9883074631
C91        -3.2328606648        1.7193172629        2.0124880119
O7         -0.0167625256       -0.2422079817        1.3268940967
C6         -0.2047278314       -0.9402124981        0.0683730035
C7         -0.2634862044       -2.4198120551        0.3891787374
C2          0.3871130893       -3.3815914362       -0.3060844301
C1          0.2626427383       -4.8397093826        0.0437148239
O1B         0.8825077769       -5.6745458430       -0.5946843558
O1A        -0.4501289355       -5.1883085394        0.9711439906
C3          1.2697345691       -3.0362750619       -1.4986595862
C4          1.0127176647       -1.6148276905       -2.0503791636
N4          2.0616750110       -1.2592163881       -3.0385618248
HAB         1.8830478168       -0.2968769925       -3.3371114906
HAA         2.9654908966       -1.2166156309       -2.5610226803
C5          0.9649887483       -0.5904829876       -0.8852391240
N5          0.9589033633        0.8316146045       -1.3177340046
HAD         1.7120452794        1.4142913220       -0.9816595518
C10         0.0311565019        1.4285176665       -2.0954320480
C11         0.2669373692        2.9040929158       -2.3450763121
O10        -0.9227857284        0.8222342274       -2.5519710083
HM1         2.3170008082       -3.1241601604       -1.1990398678
HM2         1.1137010440       -3.7470087454       -2.3136920426
HM3         1.2313054577        3.0564502167       -2.8361434408
HM4         0.2747580698        3.4512879110       -1.3989905767
HM5        -0.5168494019        3.3225871652       -2.9814960780
HM6         0.0387043859       -1.6153684399       -2.5523627757
HM7        -0.8960838114       -2.6814783930        1.2359814293
HM8         1.8810649164       -0.7445496964       -0.3049170940
HM9         1.2184094677        2.8482183166        1.1771428513
HM10        1.7465769677        2.9474540616        2.8632409795
HM11        1.9519895790        1.4379455630        1.9660355359
HM12       -0.0129852939        1.3006654248        3.5330450686
HM13       -0.6991909698        2.7373990491        2.7849469869
HM14       -0.8868037688        1.5137655146        0.5964246266
HM15       -2.6395802356       -0.2167959143        1.3054925849
HM16       -2.1997953180        0.0808299128        2.9803092790
HM17       -2.9588532996        2.4525088933        2.7732318424
HM18       -4.2380608402        1.3590826768        2.2422391195
HM19       -3.2629726934        2.2170559878        1.0404851776
HM20       -1.1552457021       -0.6468285983       -0.3878781593
           43
Energy of minimum     61=      -64.4338675198 first found at step      255
C82         0.9072176356        4.1570307975       -0.2043390576
C81        -0.1004888041        3.1202869424       -0.7391729603
C8          0.3568595352        1.6552933654       -0.5090846560
C9          1.6899311922        1.2879913690       -1.2171590134
C91         1.6495466410        1.4274327773       -2.7536688044
O7         -0.7035472258        0.7752190501       -0.9919958763
C6         -1.3139148057       -0.1651003822       -0.0618898303
C7         -1.8863104583        0.5853129367        1.1260935555
C2         -1.8223929213        0.1417990148        2.4019151259
C1         -2.4344832374        0.9051992356        3.5447886932
O1B        -2.3388257700        0.4776655659        4.6834957339
O1A        -3.0180789284        1.9564021910        3.3355958483
C3         -1.1452982933       -1.1793876384        2.7400856349
C4         -0.9500308216       -2.0922269540        1.5061667177
N4         -0.1206571465       -3.2623733346        1.8818551345
HAB        -0.6480967344       -3.8486297933        2.5348905425
HAA         0.0078468005       -3.8385373623        1.0465516816
C5         -0.3199763606       -1.2868467243        0.3375674857
N5          0.0082792877       -2.1219441401       -0.8431056885
HAD        -0.7324860200       -2.2981840349       -1.5047915499
C10         1.2283991511       -2.6122904968       -1.1415859983
C11         1.3018443914       -3.3917643692       -2.4392387096
O10         2.1934952956       -2.4333229152       -0.4172435232
HM1        -0.1712078166       -0.9726184880        3.1905162536
HM2        -1.7269649615       -1.7311315609        3.4823614505
HM3         2.3152496136       -3.7607916360       -2.6163870937
HM4         1.0123824320       -2.7559849592       -3.2798262027
HM5         0.6217695384       -4.2467311274       -2.4074394272
HM6        -1.9332354391       -2.4505202741        1.1784435594
HM7        -2.3860871320        1.5230321471        0.8888383725
HM8         0.5954178467       -0.8267028984        0.7189955584
HM9         1.8389630771        4.1321658030       -0.7728569220
HM10        0.4896529085        5.1626303383       -0.2900416866
HM11        1.1325052809        3.9691083319        0.8479545959
HM12       -1.0518830140        3.2769434528       -0.2254076576
HM13       -0.2827810103        3.3049028163       -1.8002471746
HM14        0.4937662485        1.5105397688        0.5670823537
HM15        2.5003703845        1.9044543206       -0.8230918881
HM16        1.9497164902        0.2587936781       -0.9688027986
HM17        0.8533154254        0.8151510126       -3.1825948425
HM18        2.5980149899        1.0956912801       -3.1816595134
HM19        1.4935344382        2.4658496438       -3.0521218881
HM20       -2.1513317032       -0.6338067501       -0.5894455350
           43
Energy of minimum     62=      -64.4009359843 first found at step      164
C82         2.7950329361       -0.6394068051       -1.5515342471
C81         2.5669146312        0.8833491545       -1.5903236005
C8          1.0609342703        1.2492599813       -1.6023886959
C9          0.8231587166        2.7535128975       -1.8975770202
C91         1.4321487710        3.7084027082       -0.8481803937
O7          0.4669708083        0.9211652005       -0.3124643031
C6         -0.5174509788       -0.1464966218       -0.2915962997
C7         -1.8031411393        0.3472462973       -0.9356639922
C2         -3.0392985188        0.1740042565       -0.4120268448
C1         -4.2776530426        0.6587725779       -1.1165390530
O1B        -5.3726981926        0.5031709442       -0.6013156945
O1A        -4.1882690211        1.2158105060       -2.1988226513
C3         -3.2439537495       -0.5480493415        0.9130336454
C4         -2.0225367108       -1.3998826548        1.3258807189
N4         -2.1963446627       -1.8932390862        2.7151184884
HAB        -1.3479293973       -2.4106086554        2.9593543052
HAA        -2.2014554334       -1.0925047659        3.3518625957
C5         -0.7225779689       -0.5634363924        1.1839243194
N5          0.4955003088       -1.1902441571        1.7602289027
HAD         1.0375003728       -0.6265428460        2.3985938320
C10         0.9878063159       -2.4121862674        1.4666472701
C11         2.2795066606       -2.7627986293        2.1773078896
O10         0.4343722218       -3.1686632744        0.6866974680
HM1        -3.4507833973        0.1912216151        1.6907910432
HM2        -4.1132395892       -1.2080978246        0.8644699120
HM3         3.0596885508       -2.0406177132        1.9236752160
HM4         2.6240548157       -3.7599567791        1.8918649566
HM5         2.1341310434       -2.7424857490        3.2602912543
HM6        -1.9640848928       -2.2583064194        0.6476429383
HM7        -1.6850647253        0.8560023706       -1.8899194626
HM8        -0.8966399818        0.3654324691        1.7374649540
HM9         2.3019803680       -1.1259917801       -2.3961944482
HM10        3.8632173541       -0.8609403362       -1.6039751843
HM11        2.4061149476       -1.0667002119       -0.6265752799
HM12        3.0640881941        1.3393907882       -0.7309176492
HM13        3.0418302889        1.2815628279       -2.4904165756
HM14        0.5727249582        0.6729748617       -2.3950946465
HM15        1.2370707290        2.9959082581       -2.8794522480
HM16       -0.2520118761        2.9381931964       -1.9586204419
HM17        1.0413525868        3.4968801593        0.1494850636
HM18        1.1813200124        4.7419221467       -1.0967120678
HM19        2.5204647853        3.6257856925       -0.8231018128
HM20       -0.1327513694       -1.0028125987       -0.8549221609
           43
Energy of minimum     63=      -64.3637532975 first found at step     1659
C82        -1.2672893123        3.0610563887       -2.3507059567
C81        -0.7029244905        2.2235004485       -1.1871419311
C8         -1.5341874080        0.9446669377       -0.8839467654
C9         -2.9838296211        1.2561110493       -0.4205034690
C91        -4.0090384414        1.0992215680       -1.5617308039
O7         -0.8787411663        0.2075649180        0.1881205487
C6          0.2376766772       -0.6431494978       -0.1836372540
C7         -0.3092068781       -1.9783254435       -0.6542247845
C2          0.2016798478       -3.1782592833       -0.2937535315
C1         -0.3597479245       -4.4732027278       -0.8151266351
O1B         0.1172020261       -5.5351505068       -0.4497563121
O1A        -1.2962962927       -4.4631368356       -1.5976654420
C3          1.3913732372       -3.2784769464        0.6519619658
C4          2.1587459570       -1.9447481814        0.8059267509
N4          3.1355957663       -2.0537816815        1.9174426843
HAB         3.8568174731       -2.7341824771        1.6605664586
HAA         3.6280362464       -1.1600772763        1.9967685127
C5          1.1651259042       -0.7804296308        1.0455182704
N5          1.8381140161        0.5095025406        1.3337785368
HAD         2.4825035462        0.8635974732        0.6435097987
C10         1.5883473784        1.2925536066        2.4023999026
C11         2.3395337462        2.6088852051        2.4180023801
O10         0.8174609309        0.9551501692        3.2865429294
HM1         1.0341030785       -3.6005241335        1.6333742941
HM2         2.0963549541       -4.0383791305        0.3066264219
HM3         2.0928918787        3.1885516137        3.3111462950
HM4         2.0817938905        3.2025252875        1.5371906950
HM5         3.4178293738        2.4310103035        2.4065900542
HM6         2.7010679827       -1.7439578300       -0.1257053820
HM7        -1.1574244776       -1.9257809564       -1.3341620561
HM8         0.5421922827       -1.0637610581        1.8994421719
HM9        -2.2297597759        3.5031444194       -2.0861681738
HM10       -0.5810010010        3.8760471731       -2.5910445079
HM11       -1.3932339030        2.4459231486       -3.2446511193
HM12        0.3201078057        1.9419397023       -1.4452689754
HM13       -0.6441796039        2.8488674190       -0.2924362795
HM14       -1.5719699541        0.3093589374       -1.7747774076
HM15       -3.2728337176        0.5695506757        0.3798143697
HM16       -3.0459891961        2.2655662619       -0.0060308740
HM17       -3.7950878527        1.7776399786       -2.3887644801
HM18       -5.0143747539        1.3177080456       -1.1949686274
HM19       -4.0018373391        0.0760787507       -1.9446178232
HM20        0.8043991100       -0.1803984251       -0.9979344489
           43
Energy of minimum     64=      -64.3262260290 first found at step       20
C82        -2.7882026882        1.9755946661       -0.9048971056
C81        -2.0907894157        0.5987315062       -0.9296890088
C8         -1.6050428946        0.1059967938        0.4643533945
C9         -2.7371855191        0.0011228692        1.5198200947
C91        -3.8450358795       -0.9946562294        1.1219680652
O7         -0.5748059011        0.9787366079        1.0348800761
C6          0.7734958445        1.0592393904        0.4726454915
C7          0.8084923606        2.0345731941       -0.6864233486
C2          1.5889550590        1.8775986227       -1.7807862664
C1          1.6195469201        2.8923142866       -2.8910908597
O1B         2.3223047086        2.7018727047       -3.8701896374
O1A         0.9390393406        3.9026903015       -2.8169914809
C3          2.5011056149        0.6656967206       -1.9329622827
C4          2.7217208613       -0.0973714811       -0.6047945539
N4          3.4211400851       -1.3789279210       -0.8635386363
HAB         3.5147000540       -1.8620967666        0.0335636485
HAA         2.7976776553       -1.9829423635       -1.4055564189
C5          1.3613979780       -0.3259274345        0.1028113917
N5          1.4557034397       -1.1991212397        1.2966518042
HAD         1.7776244354       -0.7801728839        2.1569591425
C10         1.0909402457       -2.4956791231        1.3371383047
C11         1.2404132675       -3.1654252165        2.6874898524
O10         0.6699436871       -3.0694735686        0.3466701918
HM1         2.0659997958       -0.0129752779       -2.6708081938
HM2         3.4791330233        0.9652283092       -2.3171255478
HM3         0.9274230413       -4.2115122398        2.6405848514
HM4         0.6285229363       -2.6528135983        3.4339937082
HM5         2.2822046334       -3.1286291888        3.0156406123
HM6         3.3501779728        0.5187957123        0.0490307094
HM7         0.1729034104        2.9110931739       -0.5793897466
HM8         0.7029384667       -0.7885455801       -0.6376355485
HM9        -2.1591748429        2.7301927736       -0.4297342966
HM10       -3.0021463842        2.3030403822       -1.9245692941
HM11       -3.7360336422        1.9252626543       -0.3654204621
HM12       -2.7810036564       -0.1342122924       -1.3523927632
HM13       -1.2480793744        0.6321183050       -1.6216143659
HM14       -1.1952556164       -0.8999735291        0.3478459740
HM15       -2.3022657333       -0.3366790678        2.4640448845
HM16       -3.1796136788        0.9815679320        1.7104109175
HM17       -4.3992194674       -0.6422999989        0.2497974138
HM18       -4.5544037847       -1.1121517200        1.9441154059
HM19       -3.4196374075       -1.9749929309        0.8952615872
HM20        1.4043910491        1.4851127452        1.2599322957
           43
Energy of minimum     65=      -64.2881933847 first found at step      186
C82        -3.1584624527       -0.8311823432        2.5536197303
C81        -2.9324600375       -0.2088888671        1.1591780882
C8         -1.5669517227       -0.5736839498        0.5126693477
C9         -1.3357129658       -2.0974836531        0.3353715805
C91        -2.3809750141       -2.7610895786       -0.5827125792
O7         -0.4915565128       -0.0423921703        1.3455155526
C6          0.3801342453        0.9857117226        0.7919787857
C7         -0.4460512111        2.1812985007        0.3557473131
C2         -0.2186837112        2.8867597604       -0.7753143081
C1         -1.0448597050        4.0879714047       -1.1472684797
O1B        -0.8171022176        4.6861369709       -2.1859775767
O1A        -1.9491280614        4.4588823429       -0.4164443514
C3          0.9169478256        2.5126353622       -1.7177764027
C4          1.9735906365        1.5980394249       -1.0544834453
N4          2.9400199738        1.1332107501       -2.0784315667
HAB         3.4833754171        1.9346060883       -2.4115354444
HAA         3.6182875605        0.5220276131       -1.6172396662
C5          1.2778653703        0.4107910925       -0.3356921537
N5          2.2321662000       -0.5785234687        0.2202955687
HAD         2.6365105449       -0.3762201322        1.1220987793
C10         2.5645251933       -1.7524385000       -0.3539662244
C11         3.5368459089       -2.5994714758        0.4423467690
O10         2.1085898859       -2.0976583440       -1.4316165888
HM1         0.5001862623        2.0046930417       -2.5911521749
HM2         1.4246939751        3.4080341418       -2.0840552969
HM3         4.4721481732       -2.0564802564        0.6000055006
HM4         3.7611947516       -3.5325194853       -0.0807711347
HM5         3.1143041371       -2.8431491667        1.4204129391
HM6         2.5151683308        2.1807922808       -0.2997990123
HM7        -1.2465864742        2.4674101898        1.0356035501
HM8         0.6413031729       -0.0825818080       -1.0748188513
HM9        -2.3564218960       -0.5545532230        3.2413793625
HM10       -4.1014713796       -0.4726740026        2.9720029754
HM11       -3.2118272864       -1.9200762436        2.4966065177
HM12       -3.7461414960       -0.5122139129        0.4970001865
HM13       -3.0050794221        0.8771127412        1.2477631360
HM14       -1.5310142029       -0.1050750848       -0.4755945612
HM15       -0.3507776565       -2.2548401726       -0.1062336671
HM16       -1.3286686665       -2.6021315847        1.3040909369
HM17       -3.3742756539       -2.7405196509       -0.1299769932
HM18       -2.1144305438       -3.8055506336       -0.7587363421
HM19       -2.4246716911       -2.2521143202       -1.5483398366
HM20        1.0354524158        1.3173985996        1.6042500377
           43
Energy of minimum     66=      -64.2604129959 first found at step     1693
C82        -0.7944359718        3.1450448054       -2.2632412059
C81         0.3840522680        2.1912539401       -2.5358689055
C8          0.5590822985        1.1114150906       -1.4340360894
C9          1.7673649435        0.1919746892       -1.7545411980
C91         3.1236462826        0.8961373151       -1.5504836231
O7         -0.6562880068        0.2993425562       -1.3765169351
C6         -1.2510604730       -0.0179005501       -0.0799910279
C7         -1.5790731982        1.2620944927        0.6673874313
C2         -1.4032594498        1.4321184003        1.9971134820
C1         -1.7808898595        2.7097060595        2.6966321517
O1B        -1.5905685228        2.8270150905        3.8960590025
O1A        -2.2673567527        3.6329448879        2.0640254682
C3         -0.8455893954        0.3111318105        2.8614342233
C4         -0.9487546020       -1.0740603929        2.1820405376
N4         -0.2466769415       -2.0825515007        3.0115380894
HAB        -0.7603601365       -2.2093279658        3.8880417998
HAA        -0.3068378988       -2.9832358324        2.5308640538
C5         -0.3773583323       -1.0061711863        0.7388917033
N5         -0.3375106587       -2.3276767716        0.0658203603
HAD        -1.1719144343       -2.6243371550       -0.4173125378
C10         0.7335481141       -3.1444448384       -0.0027523017
C11         0.5105210535       -4.4227055426       -0.7859745568
O10         1.7968129465       -2.8654707322        0.5260702188
HM1         0.2022374004        0.5237770564        3.0879229709
HM2        -1.3733703030        0.2613321167        3.8167556754
HM3         0.2314451802       -4.1916239740       -1.8171189048
HM4        -0.2963121888       -5.0071348163       -0.3365754061
HM5         1.4158320380       -5.0348921697       -0.8005902273
HM6        -2.0073307943       -1.3521804449        2.1144687147
HM7        -2.0066393689        2.0586750979        0.0631997666
HM8         0.6356919129       -0.6032524534        0.8145673517
HM9        -0.6744988979        3.6387209892       -1.2963291461
HM10       -0.8384013667        3.9157051910       -3.0359419734
HM11       -1.7444587590        2.6065410130       -2.2703932397
HM12        0.2395257503        1.7116887792       -3.5075009175
HM13        1.2906711455        2.7948738178       -2.6076825787
HM14        0.7225363744        1.6062637818       -0.4715037317
HM15        1.7489364388       -0.6836065824       -1.1091406791
HM16        1.6988795558       -0.1725964292       -2.7827309671
HM17        3.2589057714        1.7143102604       -2.2600885799
HM18        3.9392861520        0.1853239597       -1.7003276874
HM19        3.2016286898        1.2953216586       -0.5365860929
HM20       -2.2016580032       -0.5195435218       -0.2896044883
           43
Energy of minimum     67=      -64.2293076554 first found at step       78
C82         3.0338145179       -1.5937705746       -2.2799989021
C81         2.2968716706       -2.0490457955       -1.0040836558
C8          2.2061776997       -0.9076306342        0.0440030724
C9          1.8922586657       -1.4499095138        1.4637741595
C91         2.2602143139       -0.4232715118        2.5518964282
O7          1.2556159412        0.1437186535       -0.3458891179
C6         -0.1481462045       -0.1824113944       -0.5844325665
C7         -0.3788924057       -0.2059319728       -2.0872079685
C2         -1.3919468323        0.4230676770       -2.7257906172
C1         -1.5776754472        0.3283232972       -4.2163537526
O1B        -2.4948578040        0.9252588074       -4.7560292234
O1A        -0.8061141488       -0.3366414683       -4.8886812384
C3         -2.4224997441        1.2308886684       -1.9542904071
C4         -2.4608615414        0.8531624588       -0.4583511944
N4         -3.3702240644        1.7777071284        0.2629459425
HAB        -4.3277170847        1.6263306212       -0.0669117615
HAA        -3.3808577632        1.5048026368        1.2485805901
C5         -1.0267323164        0.8755350171        0.1350396429
N5         -1.0248434624        0.6688164923        1.6037394231
HAD        -1.2164791915       -0.2612788328        1.9431524553
C10        -0.8187376101        1.6332387076        2.5237957311
C11        -0.9352273849        1.1771335114        3.9649122302
O10        -0.5587879085        2.7832308927        2.2091929367
HM1        -2.1909228155        2.2943904716       -2.0529471075
HM2        -3.4224337615        1.0823090587       -2.3685718517
HM3        -1.9523156461        0.8349169110        4.1716083123
HM4        -0.6964164152        1.9922507084        4.6526809188
HM5        -0.2514843513        0.3478709659        4.1608057862
HM6        -2.8510546935       -0.1674443460       -0.3657689610
HM7         0.3283676607       -0.7988622971       -2.6583394954
HM8        -0.6023233813        1.8585851069       -0.0906143853
HM9         4.0713516951       -1.3408707048       -2.0498160141
HM10        3.0356219213       -2.3962444272       -3.0208717452
HM11        2.5620586533       -0.7158274290       -2.7241379714
HM12        1.3065609251       -2.4355546417       -1.2526127646
HM13        2.8579927929       -2.8860054873       -0.5813775939
HM14        3.1968056205       -0.4438684816        0.0942002564
HM15        0.8416813852       -1.7313169848        1.5560567499
HM16        2.4767786870       -2.3543907612        1.6486914014
HM17        3.3362222792       -0.2346375631        2.5499584966
HM18        1.9826307044       -0.8016387844        3.5380492900
HM19        1.7488964053        0.5257747211        2.3878932556
HM20       -0.3823695602       -1.1707589072       -0.1778987835
           43
Energy of minimum     68=      -64.2047014250 first found at step      568
C82         2.0024418329        2.4635234554       -0.0434814229
C81         1.2166533641        2.5468585557       -1.3660981824
C8          0.6012750433        1.1835975455       -1.7755865632
C9         -0.1622736412        1.2676257604       -3.1219499826
C91         0.7757735118        1.4563570750       -4.3308629509
O7         -0.3491182978        0.7594436449       -0.7550571482
C6         -0.0404408731       -0.4662904507       -0.0372843878
C7         -0.2266248977       -1.6541755277       -0.9683446979
C2         -0.9014144751       -2.7826373571       -0.6479590440
C1         -1.0206483402       -3.9381577484       -1.6048614892
O1B        -1.6554515598       -4.9304627356       -1.2868093285
O1A        -0.4904097224       -3.8814638623       -2.7026830337
C3         -1.5554086070       -2.9524693674        0.7161925020
C4         -0.9990226430       -1.9739860473        1.7748658504
N4         -1.8309925032       -2.0416814519        3.0021271303
HAB        -1.7318985641       -2.9730519710        3.4158519400
HAA        -1.4192172190       -1.4038796215        3.6879887852
C5         -0.9679874041       -0.5327168993        1.2003218964
N5         -0.6527756740        0.5309660215        2.1895485182
HAD        -1.3046530373        1.2984326535        2.2521390080
C10         0.4312576578        0.5896507233        2.9908392049
C11         0.4939681748        1.8109048369        3.8862862018
O10         1.2914969005       -0.2747724344        2.9882209265
HM1        -2.6324721585       -2.7979464400        0.6137103766
HM2        -1.4153105984       -3.9696883662        1.0892416321
HM3        -0.3728055635        1.8383457018        4.5513966074
HM4         0.4917812931        2.7234806825        3.2848669754
HM5         1.4001254161        1.8008060616        4.4972737378
HM6         0.0250754487       -2.2788766566        2.0170944065
HM7         0.2435954286       -1.5637754936       -1.9451086276
HM8        -1.9815877993       -0.3386266601        0.8351433810
HM9         2.7764813401        1.6948447159       -0.1014055473
HM10        1.3383986877        2.2298701438        0.7894759727
HM11        2.4845285923        3.4204884039        0.1678724944
HM12        0.4303284296        3.3005537921       -1.2743350077
HM13        1.9031002470        2.8891699018       -2.1427789903
HM14        1.4037908292        0.4442210503       -1.8672122417
HM15       -0.7283941076        0.3451150106       -3.2725866467
HM16       -0.8852494854        2.0869974034       -3.0925064975
HM17        1.2833455350        2.4219641485       -4.2928489692
HM18        0.2012701452        1.4164984578       -5.2589382984
HM19        1.5288752770        0.6656155213       -4.3618064239
HM20        1.0005940169       -0.4306721761        0.3000479342
           43
Energy of minimum     69=      -64.1841249807 first found at step       31
C82        -1.4583352398       -2.2442399324        3.3171410916
C81        -1.9912580978       -1.2916368111        2.2273079331
C8         -0.8910477804       -0.3458417631        1.6847309816
C9         -0.5230676417        0.7689343636        2.7068120981
C91         1.0018401341        0.9145847673        2.8754497054
O7         -1.4064700868        0.2383884639        0.4507429840
C6         -0.5155056064        0.9876032185       -0.4218643276
C7         -1.4312497059        1.8824961937       -1.2360997478
C2         -1.4227470745        1.9825624256       -2.5850458278
C1         -2.3500772369        2.9099365480       -3.3230624862
O1B        -2.3246398936        2.9563159878       -4.5420066856
O1A        -3.1369856406        3.6080974756       -2.7041535268
C3         -0.4365601891        1.1820039084       -3.4196509466
C4          0.7877637939        0.7351264856       -2.5938120906
N4          1.6576998648       -0.1404092281       -3.4164593133
HAB         2.4312590953       -0.4473579712       -2.8215584001
HAA         1.1453661982       -1.0020050293       -3.6223161724
C5          0.3305107089        0.0186975646       -1.2953296766
N5          1.4831497759       -0.5366091348       -0.5443291461
HAD         2.0863270727        0.1164879588       -0.0658367323
C10         1.7974456220       -1.8453305430       -0.4604893896
C11         3.0142640050       -2.1585136635        0.3853994701
O10         1.1371815082       -2.7003780959       -1.0258408381
HM1        -0.9410015955        0.3041978925       -3.8309252322
HM2        -0.0756613396        1.7692267029       -4.2673331819
HM3         3.2055177421       -3.2342555940        0.4105912901
HM4         2.8627949336       -1.8085330508        1.4096979296
HM5         3.8969757199       -1.6577160394       -0.0199849727
HM6         1.3572184214        1.6279209499       -2.3097964129
HM7        -2.1319598613        2.4721534593       -0.6467450032
HM8        -0.3344688656       -0.7982014419       -1.5944678672
HM9        -0.6339621376       -2.8476293947        2.9300454607
HM10       -2.2513823040       -2.9206170548        3.6435343903
HM11       -1.1036300240       -1.6932787945        4.1902708390
HM12       -2.3814649453       -1.8995841178        1.4068186059
HM13       -2.8269346501       -0.7093730631        2.6244769725
HM14       -0.0155691573       -0.9575716222        1.4599060440
HM15       -0.9474207338        1.7268408475        2.3953382374
HM16       -0.9520555720        0.5508876039        3.6870659220
HM17        1.4799268336        1.1902853248        1.9343187774
HM18        1.4399804309       -0.0230152587        3.2255807512
HM19        1.2257330098        1.6909418063        3.6103503494
HM20        0.1425005096        1.6284076559        0.1715281444
           43
Energy of minimum     70=      -64.1623805934 first found at step      337
C82        -0.3518760256        3.0853411126        1.7250313005
C81        -0.2510139231        1.5476016257        1.6676026704
C8         -1.2794067446        0.9006436663        0.6951491698
C9         -2.7532679123        1.2960121915        0.9830625084
C91        -3.2357270942        0.9306966534        2.4035197783
O7         -1.2163466487       -0.5635413889        0.7199512624
C6         -0.0193780256       -1.2974816923        0.3159911450
C7          0.9703298451       -1.3474447101        1.4622698947
C2          2.3124148811       -1.2890097434        1.3032874901
C1          3.2586956547       -1.3743683801        2.4697316243
O1B         4.4621615262       -1.2963280040        2.2843409087
O1A         2.8250072120       -1.5172955015        3.6015867797
C3          2.9368066547       -1.1491304865       -0.0795376795
C4          1.9564466054       -1.4840398331       -1.2293484731
N4          2.5591262385       -1.0998394352       -2.5288250423
HAB         3.3755774209       -1.6925521925       -2.7049319404
HAA         1.8932778419       -1.3368224603       -3.2688073954
C5          0.6006595448       -0.7675890296       -1.0025201533
N5         -0.3440006547       -0.9316990579       -2.1336772708
HAD        -0.7450793973       -1.8466021394       -2.2761528303
C10        -0.7367330471        0.0509551103       -2.9687651690
C11        -1.7239675842       -0.3729408577       -4.0373194885
O10        -0.3249828507        1.1938683036       -2.8563688848
HM1         3.2932251338       -0.1231977812       -0.2018097936
HM2         3.8086536483       -1.8004858533       -0.1760112656
HM3        -1.9969520629        0.4725621159       -4.6738234973
HM4        -2.6330323499       -0.7690173914       -3.5777247374
HM5        -1.2902336077       -1.1548048048       -4.6658162568
HM6         1.7746285880       -2.5653754615       -1.2295676561
HM7         0.5310013206       -1.4514130808        2.4530162986
HM8         0.8366861819        0.2915840799       -0.8737339814
HM9        -1.2892864712        3.4058344426        2.1837037824
HM10        0.4673842918        3.4908538924        2.3227943666
HM11       -0.2868272182        3.5133828869        0.7220403504
HM12        0.7592197381        1.3090247770        1.3309529917
HM13       -0.3639997628        1.1381121823        2.6741990637
HM14       -1.0559334895        1.2446829906       -0.3172706715
HM15       -2.8900346358        2.3671852191        0.8203611584
HM16       -3.3979548496        0.7955806760        0.2560076981
HM17       -3.1221023188       -0.1388628582        2.5931283488
HM18       -4.2925356149        1.1833492485        2.5137413677
HM19       -2.6791819199        1.4811042523        3.1644807857
HM20       -0.3414481186       -2.3285332834        0.1360614425
           43
Energy of minimum     71=      -64.1190719244 first found at step      376
C82         1.0865815381        2.3298420714        3.7373896594
C81         0.3100870727        1.4364913742        2.7481967249
C8          1.2382275800        0.5554945206        1.8650439193
C9          2.0994688626        1.3746661136        0.8654903976
C91         3.2579325796        0.5312950857        0.2989521532
O7          0.4844298591       -0.4854454209        1.1547095774
C6         -0.6622757649       -0.1175628856        0.3312361780
C7         -1.9200852330       -0.4809750908        1.1036705773
C2         -2.9871748981       -1.1268209667        0.5800663367
C1         -4.2143693117       -1.4331338359        1.3954737505
O1B        -5.1477191326       -2.0347551405        0.8898274408
O1A        -4.2745027074       -1.0888202084        2.5648505143
C3         -3.0081009064       -1.5570135617       -0.8781564600
C4         -1.9497935296       -0.8220089336       -1.7289709817
N4         -1.8972041961       -1.4246458851       -3.0839645182
HAB        -2.7849412199       -1.2455784847       -3.5618996376
HAA        -1.1941458187       -0.9183323463       -3.6275540600
C5         -0.5676649247       -0.8665380622       -1.0236034639
N5          0.5144857820       -0.3109692424       -1.8721299758
HAD         0.5417635531        0.6894576553       -1.9959326262
C10         1.4509081948       -1.0397132697       -2.5130934122
C11         2.4120071474       -0.2361850084       -3.3668402456
O10         1.5113248654       -2.2538109365       -2.4065146983
HM1        -2.8297036461       -2.6338527205       -0.9335986249
HM2        -3.9894998035       -1.3736342447       -1.3219298868
HM3         1.8727027132        0.2598765602       -4.1776267203
HM4         3.1790519101       -0.8809799277       -3.8031332401
HM5         2.9060067305        0.5321631243       -2.7675031969
HM6        -2.2477843227        0.2290629329       -1.8233968368
HM7        -1.9331898508       -0.1774552520        2.1467205482
HM8        -0.3509495680       -1.9162903211       -0.8033207192
HM9         1.6533093379        3.1042863378        3.2178772005
HM10        0.3893313714        2.8274293392        4.4150876653
HM11        1.7766969255        1.7328916817        4.3380481681
HM12       -0.3369028061        0.7864208918        3.3402962137
HM13       -0.3297989731        2.0674372398        2.1267242546
HM14        1.9240709610        0.0362000389        2.5423244574
HM15        1.4838750473        1.7585881812        0.0493338324
HM16        2.5385431355        2.2408962348        1.3618868521
HM17        3.9392100081        0.2331237705        1.0991565572
HM18        3.8249990841        1.1114827085       -0.4321454739
HM19        2.8887337886       -0.3720869342       -0.1879574034
HM20       -0.6579414347        0.9595028173        0.1369092028
           43
Energy of minimum     72=      -64.0952948413 first found at step      188
C82         0.7352379741       -2.0238012129       -2.3241121764
C81         1.4287944920       -2.5567791764       -1.0558727845
C8          1.6435815622       -1.4509013146        0.0096905416
C9          2.3663723202       -1.9876399255        1.2714836858
C91         3.8467330558       -2.3313800213        1.0119719677
O7          0.3483878896       -0.9315774966        0.4304457579
C6          0.0791301022        0.4692877627        0.1520702580
C7          0.9326031432        1.3365016847        1.0646000348
C2          0.4710239713        2.3953090278        1.7703666702
C1          1.3766531951        3.2345880961        2.6308738185
O1B         0.9184257998        4.1679441507        3.2693558514
O1A         2.5678379653        2.9776836541        2.6989965221
C3         -0.9923546241        2.8111902668        1.7074991333
C4         -1.7274934975        2.2269794349        0.4805044779
N4         -3.1844719318        2.4884015949        0.5926819966
HAB        -3.6336278508        2.0448836534       -0.2127217810
HAA        -3.5499130284        1.9810831834        1.4024883304
C5         -1.4354645558        0.7068702343        0.3634177058
N5         -2.2613656886       -0.0126433106       -0.6410640477
HAD        -2.7581188503       -0.8305961620       -0.3196545589
C10        -2.3699994190        0.2835531044       -1.9534869232
C11        -3.2614787625       -0.6531502526       -2.7437903729
O10        -1.7916579542        1.2309337965       -2.4583585305
HM1        -1.4935553512        2.4834313378        2.6215980473
HM2        -1.0849629711        3.8991049100        1.6682279978
HM3        -2.8891105302       -1.6784842662       -2.6768104186
HM4        -3.2944496360       -0.3645495206       -3.7974193439
HM5        -4.2792858437       -0.6329617244       -2.3462470379
HM6        -1.3436879393        2.7284526363       -0.4148043012
HM7         1.9859489571        1.0697321551        1.1161099098
HM8        -1.6736094460        0.2754766388        1.3415461428
HM9         1.2941763401       -1.1861060946       -2.7474399232
HM10        0.6742795947       -2.8115734647       -3.0781357630
HM11       -0.2793059640       -1.6912984987       -2.1017485904
HM12        0.8368722078       -3.3733352367       -0.6344069424
HM13        2.3925818497       -2.9755083006       -1.3515111422
HM14        2.2427409626       -0.6459461258       -0.4286725948
HM15        2.3267318879       -1.2303865528        2.0583426385
HM16        1.8496970847       -2.8728552263        1.6514218748
HM17        3.9444396676       -3.1670954436        0.3166248964
HM18        4.3335162463       -2.6156254203        1.9474990466
HM19        4.3763900158       -1.4692208641        0.6002249762
HM20        0.3317575593        0.6820082894       -0.8917850495
           43
Energy of minimum     73=      -64.0695960801 first found at step       22
C82         0.0209078521        3.2835089159       -1.6856652664
C81        -0.5251391105        1.8420766791       -1.6355881577
C8          0.5850137860        0.7609154403       -1.5122881581
C9          1.6092317114        0.8283562890       -2.6752977332
C91         2.7212339800       -0.2314710180       -2.5344185669
O7          0.0101702022       -0.5878838185       -1.5178814785
C6         -0.8015987070       -1.0923014730       -0.4124790038
C7         -2.2334724154       -0.6180574499       -0.5522727135
C2         -3.0296169481       -0.3093535484        0.4973403596
C1         -4.4573581773        0.1279684510        0.3138978405
O1B        -5.1342596825        0.4177251425        1.2867861108
O1A        -4.9379289839        0.1983543319       -0.8057427618
C3         -2.5198109570       -0.4054427570        1.9309253966
C4         -1.2120814827       -1.2245727640        2.0610464880
N4         -0.6606208833       -1.0817078911        3.4325326392
HAB        -0.4510622673       -0.0955432776        3.6068929025
HAA        -1.3869786945       -1.3261799822        4.1117627792
C5         -0.1974154224       -0.7715190670        0.9776461905
N5          1.1430217871       -1.3842884347        1.1288096233
HAD         1.2331870826       -2.3654577557        0.9153427166
C10         2.2435477762       -0.7415642418        1.5653810867
C11         3.4912094044       -1.5965434797        1.6595877917
O10         2.2243898992        0.4460275229        1.8463382248
HM1        -2.3513024120        0.6053681003        2.3112319959
HM2        -3.2736830559       -0.8644680774        2.5752553636
HM3         4.3410650815       -1.0083397412        2.0149102320
HM4         3.7415360731       -2.0106653118        0.6795577363
HM5         3.3307906157       -2.4276212501        2.3509524252
HM6        -1.4487356309       -2.2811297906        1.8880856584
HM7        -2.6058173999       -0.5511621636       -1.5732511871
HM8        -0.1138949368        0.3141872091        1.0705302427
HM9         0.5511146108        3.4756727655       -2.6204272144
HM10       -0.8038589542        3.9965876349       -1.6201480473
HM11        0.6993132408        3.4689428603       -0.8496846235
HM12       -1.1821376211        1.7839578371       -0.7666501224
HM13       -1.1337456650        1.6559492875       -2.5241735533
HM14        1.1365572326        0.9228450650       -0.5833089059
HM15        1.0988540667        0.6992701097       -3.6332500093
HM16        2.0906644338        1.8077830380       -2.6916085979
HM17        3.2361107374       -0.1238680794       -1.5768894197
HM18        3.4566189731       -0.1114036155       -3.3329844764
HM19        2.3146922075       -1.2430671870       -2.5996268417
HM20       -0.8187113466       -2.1818845051       -0.5211769655
           43
Energy of minimum     74=      -64.0464200224 first found at step      319
C82        -3.6025455469        1.3618429766        1.7056982718
C81        -2.3993264605        0.5498503273        2.2346692801
C8         -1.0745087592        0.8170274040        1.4731647193
C9         -0.6207656800        2.2991059733        1.6126051020
C91         0.8982863411        2.4363032931        1.8400378725
O7         -1.2954877460        0.4493471356        0.0767750309
C6         -0.1828177369        0.3685213412       -0.8554469609
C7         -0.8243902730        0.4795092122       -2.2260613293
C2         -0.6392342039       -0.3894790990       -3.2453666683
C1         -1.2965421633       -0.2006425244       -4.5859562897
O1B        -1.1186249285       -1.0179742833       -5.4742107166
O1A        -2.0170073661        0.7645764906       -4.7834733275
C3          0.2848875303       -1.5848876326       -3.0886310899
C4          1.3200243245       -1.3703931401       -1.9647643272
N4          2.1159584966       -2.6091179181       -1.7812541660
HAB         2.6749576709       -2.7726011508       -2.6235641422
HAA         2.7973484339       -2.4397072431       -1.0373361314
C5          0.6138381361       -0.9521853117       -0.6474253248
N5          1.5802824586       -0.8419043821        0.4737115763
HAD         2.2816199768       -0.1188133174        0.4133034609
C10         1.6277522582       -1.6601150928        1.5450193523
C11         2.7389786133       -1.3583998689        2.5299177875
O10         0.8230817758       -2.5627551822        1.7041198461
HM1        -0.3102880727       -2.4748076944       -2.8693028903
HM2         0.8269777630       -1.7836964074       -4.0159989149
HM3         2.6361273750       -0.3418912836        2.9177503288
HM4         3.7124763841       -1.4402662786        2.0400511003
HM5         2.7141890889       -2.0549819875        3.3717249428
HM6         1.9937620591       -0.5582286752       -2.2627185939
HM7        -1.4769375916        1.3420600437       -2.3529272042
HM8        -0.1158063174       -1.7359236735       -0.4216142155
HM9        -3.8043893691        1.1277630816        0.6582066551
HM10       -4.4973192443        1.1193417057        2.2831291633
HM11       -3.4264139439        2.4357533089        1.7941796709
HM12       -2.2562770216        0.7743909218        3.2946492473
HM13       -2.6369453981       -0.5150979365        2.1717452554
HM14       -0.3215537211        0.1611214466        1.9128894899
HM15       -0.9178096930        2.8741512529        0.7317833082
HM16       -1.1161249429        2.7593951345        2.4711081552
HM17        1.2008695263        1.8939511649        2.7387112690
HM18        1.1617236135        3.4877361781        1.9743269913
HM19        1.4708116150        2.0524657138        0.9958470134
HM20        0.4771627390        1.2296559767       -0.7290725979
           43
Energy of minimum     75=      -64.0081652431 first found at step       50
C82        -1.3820765917       -1.6237358147        2.5162064908
C81        -0.0058375335       -2.2798192473        2.3001702935
C8          0.4963325079       -2.1829677293        0.8362644534
C9          1.8008849635       -3.0030548001        0.6779009924
C91         2.3068855024       -3.0340641091       -0.7775404519
O7          0.7826115067       -0.7936536877        0.4940669146
C6         -0.1928278851       -0.0774558902       -0.3133624883
C7         -0.1284848427       -0.5886566857       -1.7439304049
C2         -0.0408238704        0.1989530899       -2.8405939173
C1         -0.0158876271       -0.3739707637       -4.2323214442
O1B         0.0872031673        0.3681534968       -5.1953398735
O1A        -0.0900217597       -1.5805773029       -4.3997850416
C3          0.0050992833        1.7153764207       -2.7223448959
C4         -0.5248797519        2.2263277220       -1.3633715293
N4         -0.2638582734        3.6860748360       -1.2482799245
HAB         0.7406832851        3.8550423913       -1.3424095055
HAA        -0.6884780606        4.1619637473       -2.0492483852
C5          0.1399333148        1.4314462241       -0.2050613970
N5         -0.1336686603        1.9633577928        1.1545830300
HAD         0.6666653233        2.1930971615        1.7230358200
C10        -1.3477888283        2.2031103538        1.6930063814
C11        -1.3151514486        2.7923206959        3.0895068755
O10        -2.3878882086        1.9471839285        1.1078776535
HM1         1.0368769509        2.0487223085       -2.8599133609
HM2        -0.5874697057        2.1825862902       -3.5125908234
HM3        -0.7948664170        2.1172400250        3.7737881959
HM4        -2.3272613436        2.9566106839        3.4679526479
HM5        -0.7868243145        3.7490519597        3.0859839549
HM6        -1.6062470449        2.0526702645       -1.3346274823
HM7        -0.1780249885       -1.6686571025       -1.8586749177
HM8         1.2193062590        1.5142338620       -0.3674052450
HM9        -2.1161943423       -2.0211210719        1.8116037888
HM10       -1.7369203347       -1.8230351945        3.5297290617
HM11       -1.3209730877       -0.5428205825        2.3903050643
HM12        0.7226956787       -1.8253825846        2.9767021867
HM13       -0.0866053092       -3.3336155587        2.5784738208
HM14       -0.2637533951       -2.5963557008        0.1661864465
HM15        2.5810272666       -2.5917254197        1.3239314162
HM16        1.6230117588       -4.0313436640        1.0026481879
HM17        1.5494536426       -3.4597270315       -1.4394374110
HM18        3.2064280719       -3.6494149384       -0.8486047169
HM19        2.5547133291       -2.0299476924       -1.1285769516
HM20       -1.1969981869       -0.2524206826        0.0834964914
           43
Energy of minimum     76=      -63.9648960121 first found at step      372
C82         3.0717379158       -2.5364898661        1.3121362355
C81         2.8225888886       -1.0281699971        1.5169630846
C8          1.9380650403       -0.4156312062        0.3983172135
C9          1.6837049674        1.1027004249        0.6158686224
C91         2.9749008302        1.9383567134        0.7299624091
O7          0.6809794040       -1.1716097186        0.3763090942
C6         -0.3283126096       -0.9807295230       -0.6626402200
C7          0.2929884671       -0.6316910376       -2.0041794041
C2         -0.2051101304        0.3024222804       -2.8466488560
C1          0.4245907206        0.5885166975       -4.1828057278
O1B        -0.0469183694        1.4492094825       -4.9076744814
O1A         1.4145386992       -0.0310253993       -4.5373519496
C3         -1.4636492657        1.0847770321       -2.4937980990
C4         -2.3065467663        0.3902840342       -1.3988391120
N4         -3.4333108240        1.2646387315       -0.9939878068
HAB        -3.9431886850        0.7792756506       -0.2516405782
HAA        -3.0466581105        2.0882512906       -0.5255652627
C5         -1.4032196739        0.0309664093       -0.1909851437
N5         -2.1520448516       -0.5048080925        0.9698701593
HAD        -2.3514979888       -1.4939698734        0.9798329639
C10        -2.5142959102        0.2105226627        2.0531307259
C11        -3.2117561509       -0.5793785205        3.1418247229
O10        -2.2927200289        1.4076709572        2.1316478633
HM1        -1.1798368084        2.0840054672       -2.1544105283
HM2        -2.0974537719        1.2163775864       -3.3739158645
HM3        -2.5602798252       -1.3769222678        3.5078315332
HM4        -4.1254071889       -1.0359667913        2.7529744693
HM5        -3.4768021837        0.0660368336        3.9830712389
HM6        -2.7152865381       -0.5390592168       -1.8128958015
HM7         1.1716190496       -1.2121336402       -2.2801455858
HM8        -0.9031637418        0.9503090293        0.1146766167
HM9         3.5219946469       -2.7227588581        0.3343743399
HM10        3.7534010265       -2.9109334494        2.0790044121
HM11        2.1414751579       -3.1044720030        1.3820572582
HM12        2.3583725232       -0.8644372829        2.4929747916
HM13        3.7963530813       -0.5350729784        1.5324368765
HM14        2.4606217836       -0.5532224977       -0.5526939806
HM15        1.1277260110        1.4982049073       -0.2355694871
HM16        1.0754402809        1.2567552660        1.5107363775
HM17        3.5077365192        1.7220072407        1.6579882479
HM18        2.7305859184        3.0029354444        0.7289079085
HM19        3.6394803379        1.7401355019       -0.1141330251
HM20       -0.8314418464       -1.9458774237       -0.7830162507
           43
Energy of minimum     77=      -63.9372663069 first found at step       28
C82        -1.5881729599       -2.8064842552        1.7921648914
C81        -1.5223293659       -2.0990529998        0.4248117914
C8         -1.8839376967       -0.5892168093        0.5368767644
C9         -3.3050268512       -0.2714207145        0.0054297563
C91        -4.4221254164       -0.9203313008        0.8461511497
O7         -0.9404191730        0.1984681824       -0.2448214475
C6          0.3608666130        0.4393909629        0.3541247233
C7          0.2491621135        1.6328428731        1.2862186610
C2          1.1615595770        2.6297181630        1.3569328004
C1          1.0174608526        3.7761542501        2.3207369658
O1B         1.8527494114        4.6652994884        2.3383257012
O1A         0.0621917969        3.8220595730        3.0789243462
C3          2.4001324798        2.6307587707        0.4705579781
C4          2.6856692510        1.2504178164       -0.1655583937
N4          3.7672765687        1.3725857747       -1.1761907177
HAB         3.4742202473        2.0353063089       -1.8988495418
HAA         4.5858692209        1.8038905786       -0.7368484271
C5          1.3847715039        0.6725285199       -0.7823146804
N5          1.6153925450       -0.5748344584       -1.5484774309
HAD         2.2065051506       -1.2740802393       -1.1275089916
C10         1.0978211200       -0.8514338972       -2.7613103892
C11         1.4448511932       -2.2229228135       -3.3057578679
O10         0.4098343633       -0.0473952751       -3.3699303532
HM1         2.2665090844        3.3730082643       -0.3205921161
HM2         3.2817861017        2.9309352074        1.0421790693
HM3         2.5284660939       -2.3329804063       -3.3961740007
HM4         0.9970976384       -2.3765505990       -4.2908866867
HM5         1.0774233630       -3.0017918272       -2.6326780767
HM6         3.0211364500        0.5692579366        0.6255088640
HM7        -0.6270401081        1.6465673538        1.9315238856
HM8         0.9715717629        1.4347764879       -1.4501450823
HM9        -2.5884717011       -2.7385000210        2.2238421779
HM10       -0.8785096029       -2.3568598249        2.4905661009
HM11       -1.3350983549       -3.8631983600        1.6815102789
HM12       -0.5126520920       -2.2247316171        0.0266770994
HM13       -2.1930081146       -2.6025538710       -0.2759270695
HM14       -1.8245044222       -0.2675131685        1.5815713767
HM15       -3.4539105987        0.8114207818        0.0168038787
HM16       -3.3990854362       -0.5985564007       -1.0334517692
HM17       -5.3995891673       -0.5896765084        0.4881445774
HM18       -4.3291731238       -0.6363238197        1.8969175176
HM19       -4.3887208888       -2.0090946796        0.7721262818
HM20        0.6714505711       -0.4398834273        0.9287964050
           43
Energy of minimum     78=      -63.9035975773 first found at step       43
C82        -3.0612184462       -1.3787657050        0.8389852690
C81        -1.8225159109       -1.3468687582        1.7562965405
C8         -0.5669465086       -1.9540080328        1.0678379748
C9          0.1668325618       -2.9251697684        2.0251412197
C91         1.3689755726       -3.6127712291        1.3476644519
O7          0.3712068385       -0.8975654685        0.7021984136
C6          0.0407256439       -0.0442249112       -0.4250063677
C7          0.3193114831       -0.7917187883       -1.7173153182
C2          0.9680915500       -0.2621077991       -2.7804861757
C1          1.1851903314       -1.0411850265       -4.0495603450
O1B         1.7928484354       -0.5355011713       -4.9789707489
O1A         0.7616541231       -2.1816007980       -4.1480306650
C3          1.4972169657        1.1661293731       -2.7554577254
C4          0.8691082791        2.0268952064       -1.6350682845
N4          1.6087263510        3.3077948863       -1.5136320688
HAB         1.4746041928        3.8482548201       -2.3729371527
HAA         1.1519677612        3.8584596526       -0.7820740740
C5          0.8834683950        1.2454403052       -0.2953688973
N5          0.4968657175        2.0385141559        0.9007689682
HAD         1.1494039244        2.0454323843        1.6700961014
C10        -0.6658982925        2.6971561411        1.0866900962
C11        -0.8075027610        3.3664155175        2.4390471878
O10        -1.5312886161        2.7471700372        0.2286645852
HM1         2.5813724150        1.1371508237       -2.6203752668
HM2         1.3106405648        1.6643028026       -3.7097062140
HM3        -0.0075960162        4.0962779033        2.5871501892
HM4        -0.7442923543        2.6232623429        3.2379924712
HM5        -1.7675180057        3.8824267639        2.5207001288
HM6        -0.1712861038        2.2371564612       -1.9070674657
HM7        -0.0577276653       -1.8108145882       -1.7629491809
HM8         1.9197497426        0.9251470071       -0.1473094028
HM9        -3.3092043103       -2.4076635197        0.5681766125
HM10       -3.9211575247       -0.9462419850        1.3550763621
HM11       -2.8957711843       -0.8122628548       -0.0784518084
HM12       -1.6258540975       -0.3185984982        2.0710154658
HM13       -2.0655195360       -1.9077332862        2.6623949536
HM14       -0.8645357692       -2.5159939038        0.1775466884
HM15        0.5063234213       -2.3892011801        2.9154966195
HM16       -0.5294812385       -3.6991921757        2.3578526093
HM17        1.0487708981       -4.1572331850        0.4563445286
HM18        1.8310326173       -4.3242989739        2.0355271503
HM19        2.1267410960       -2.8821767131        1.0560210920
HM20       -1.0155145403        0.2295117359       -0.3849185178
           43
Energy of minimum     79=      -63.8704544176 first found at step      310
C82        -0.8358690855        2.5257352888       -2.2586553638
C81        -1.3959077938        1.1607071760       -2.7038741425
C8         -0.7312858164       -0.0088094783       -1.9367098018
C9         -1.1057305467       -1.3929364128       -2.5346188049
C91        -2.6106906251       -1.7274648157       -2.4553299803
O7         -1.1273357943        0.0623848398       -0.5358780680
C6         -0.2614328230       -0.6045454421        0.4190929166
C7         -1.1608508445       -1.3342778857        1.3954087850
C2         -1.0006958964       -1.3270521057        2.7388134427
C1         -1.9110418789       -2.1009364522        3.6535750441
O1B        -1.7464592821       -2.0507396496        4.8615188526
O1A        -2.8193832088       -2.7716089964        3.1902097992
C3          0.1279567557       -0.5448627061        3.3971788223
C4          1.2507153367       -0.1462064578        2.4102286402
N4          2.1762666480        0.8106808217        3.0729599709
HAB         1.6470058941        1.6303345583        3.3805886235
HAA         2.5302721746        0.3857261533        3.9346954746
C5          0.6349263600        0.4516761616        1.1149032423
N5          1.6249631311        1.0705763009        0.1964573806
HAD         1.5343196568        2.0607298552        0.0288170391
C10         2.6788966073        0.4529991982       -0.3765200441
C11         3.5566236754        1.3535290628       -1.2227619073
O10         2.8939994709       -0.7398215291       -0.2364079063
HM1        -0.2906848066        0.3563703446        3.8523846555
HM2         0.5788262370       -1.1268793738        4.2046772396
HM3         4.3849581498        0.7913826945       -1.6613947362
HM4         3.9697911861        2.1619659304       -0.6143576157
HM5         2.9730533098        1.7992214424       -2.0323882378
HM6         1.8072508080       -1.0517282043        2.1434458607
HM7        -1.9689134636       -1.9031064462        0.9386132294
HM8        -0.0387658894        1.2505441670        1.4409524509
HM9         0.2437902180        2.5701354188       -2.4193115025
HM10       -1.3005243182        3.3287136194       -2.8350555949
HM11       -1.0384750501        2.7051622663       -1.2004066940
HM12       -2.4779140324        1.1521782000       -2.5524587070
HM13       -1.2148590747        1.0421672299       -3.7750710256
HM14        0.3531303046        0.1117447180       -2.0124402989
HM15       -0.7920921919       -1.4257852418       -3.5808667871
HM16       -0.5432900092       -2.1756569064       -2.0206313247
HM17       -2.9656936884       -1.7012911907       -1.4230721980
HM18       -2.7894466352       -2.7305934423       -2.8485279046
HM19       -3.2027341683       -1.0264664141       -3.0468703523
HM20        0.3633309993       -1.3438962965       -0.0909124715
           43
Energy of minimum     80=      -63.8503495526 first found at step     1029
C82         0.3179346935       -3.6214443590        0.0507951412
C81        -1.0222639754       -2.9075839251       -0.2388740047
C8         -0.8995652525       -1.5019876235       -0.8945183171
C9         -0.9912777398       -1.5319075272       -2.4470861233
C91         0.1411753017       -2.3104385431       -3.1464779417
O7          0.3320165798       -0.8487485575       -0.4659374556
C6          0.3747806805        0.6007764132       -0.5224487779
C7          1.7588903168        0.9725512972       -1.0154161230
C2          2.5367867470        1.9337171111       -0.4657281833
C1          3.8927523108        2.2768012953       -1.0202181384
O1B         4.5714950234        3.1362432292       -0.4822153789
O1A         4.3189202747        1.6907045319       -2.0023242861
C3          2.0629814322        2.7379687431        0.7371218711
C4          0.5352335584        2.6472573418        0.9516137162
N4          0.1663756102        3.2708124774        2.2458899694
HAB        -0.8412748438        3.1426709842        2.3697948123
HAA         0.5820229749        2.7174450884        2.9997039002
C5          0.0736950330        1.1689237787        0.8864679229
N5         -1.3533285571        0.9981809082        1.2517957652
HAD        -2.0461014942        1.3485248574        0.6065294024
C10        -1.7989939074        0.3837662258        2.3662597325
C11        -3.3061214011        0.2842985993        2.4830599321
O10        -1.0333252668       -0.0514212955        3.2102423481
HM1         2.5761540609        2.3747003497        1.6309569593
HM2         2.3266679414        3.7924792264        0.6264086479
HM3        -3.5932813989       -0.2201932592        3.4090775206
HM4        -3.7144030125       -0.2787425345        1.6399420003
HM5        -3.7537303647        1.2812896668        2.4772525366
HM6         0.0386253575        3.1961676513        0.1428482911
HM7         2.1052263024        0.4087306169       -1.8801931027
HM8         0.6941561774        0.6055462413        1.5909427059
HM9         0.9233971462       -3.7293178539       -0.8494261201
HM10        0.8991406141       -3.0720600893        0.7948067414
HM11        0.1269350007       -4.6199499097        0.4499564837
HM12       -1.6455680252       -3.5513231273       -0.8644734508
HM13       -1.5544503913       -2.7975827738        0.7092778495
HM14       -1.7507920684       -0.9160514673       -0.5368272767
HM15       -1.9494513994       -1.9684009168       -2.7394493160
HM16       -0.9955219775       -0.5081886408       -2.8276701187
HM17        1.1220865443       -1.9513420174       -2.8277924802
HM18        0.0676786284       -2.1800126627       -4.2283331117
HM19        0.0677980672       -3.3789772262       -2.9368542752
HM20       -0.3634753013        0.9761176753       -1.2384802678
           43
Energy of minimum     81=      -63.8062705818 first found at step       14
C82         2.5467958079       -0.3148305661       -3.0701181393
C81         1.5926677961        0.8246703099       -2.6576683789
C8          0.4499027505        0.3307202843       -1.7278526514
C9         -0.8900249489        0.0965451686       -2.4837449417
C91        -0.7923050428       -0.9663595679       -3.5951752720
O7          0.2777328135        1.3436437956       -0.6892600138
C6         -0.6329125534        1.1282781486        0.4286466622
C7         -0.6665749003        2.4635284038        1.1496745605
C2         -0.4305765964        2.6424266412        2.4693153575
C1         -0.4987784072        3.9992459934        3.1167730013
O1B        -0.2604150698        4.1211050643        4.3071119363
O1A        -0.7801453273        4.9816430822        2.4493624330
C3         -0.1288856582        1.4574298988        3.3706732964
C4         -0.6730176084        0.1409203591        2.7794296502
N4         -0.2855645343       -0.9980012587        3.6468029708
HAB        -0.6327944255       -1.8506447706        3.2010942220
HAA         0.7322339973       -1.0978361548        3.6110432678
C5         -0.1604112244       -0.0526069624        1.3265311787
N5         -0.5924708336       -1.3600422698        0.7720449143
HAD        -1.5487828014       -1.4394296308        0.4573506125
C10         0.1890542710       -2.4525874518        0.6559957542
C11        -0.4853085041       -3.6614116982        0.0412931670
O10         1.3533942260       -2.4461651980        1.0174560678
HM1         0.9511867629        1.3767350045        3.5157188761
HM2        -0.5751276035        1.5935505297        4.3585512364
HM3        -0.8474403352       -3.4230573195       -0.9619685017
HM4        -1.3399762783       -3.9684812431        0.6491846777
HM5         0.2101332275       -4.5013895415       -0.0308692806
HM6        -1.7673213150        0.2023692238        2.7511626687
HM7        -0.9000611786        3.3166780416        0.5143102007
HM8         0.9333885384       -0.0126995835        1.3592154410
HM9         2.0220045333       -1.0995578221       -3.6167064088
HM10        3.3392566403        0.0744599062       -3.7130813607
HM11        3.0129994927       -0.7615117975       -2.1888454589
HM12        2.1889996358        1.5827631723       -2.1428051628
HM13        1.1818787589        1.3033330945       -3.5502255980
HM14        0.7738604289       -0.5990825498       -1.2566746851
HM15       -1.6536451499       -0.2417574263       -1.7813636721
HM16       -1.2424183316        1.0365325905       -2.9159986171
HM17       -0.1561913954       -0.6241138126       -4.4137326628
HM18       -1.7838956251       -1.1683234863       -4.0061598553
HM19       -0.3899940235       -1.9021982186       -3.2005501172
HM20       -1.6404500091        0.9255096169        0.0540586250
           43
Energy of minimum     82=      -63.7653168416 first found at step        9
C82         3.3861886444       -2.3319708539        0.6778810338
C81         2.8234882778       -0.9556752989        1.0926627060
C8          1.2950703140       -0.7964296955        0.8611234364
C9          0.4269859476       -1.8492107927        1.5999577474
C91         0.5919090991       -1.7958821095        3.1315670376
O7          1.0232771200       -0.8995013326       -0.5699826802
C6          0.4464527044        0.2476433179       -1.2591653041
C7          1.3452127897        1.4581008623       -1.0847122285
C2          0.8891817104        2.7146481240       -0.8768667279
C1          1.8192415520        3.8896060942       -0.7417592450
O1B         1.3663367762        5.0038798730       -0.5374476558
O1A         3.0259484975        3.7278342737       -0.8251034485
C3         -0.6041815273        3.0057064963       -0.8022695749
C4         -1.4655698148        1.8661160713       -1.3967538120
N4         -2.9039749445        2.1419778169       -1.1525419080
HAB        -3.0762757854        2.1387851284       -0.1439616102
HAA        -3.1209697150        3.0927828814       -1.4638448192
C5         -1.0127618253        0.5040353782       -0.7998849468
N5         -1.8899026293       -0.6277872018       -1.1785811641
HAD        -1.7202606645       -1.0723264855       -2.0671500686
C10        -2.9111715430       -1.0975503114       -0.4345758734
C11        -3.6773635918       -2.2493783777       -1.0541617796
O10        -3.1810057999       -0.6290948456        0.6603006237
HM1        -0.8835810702        3.1647311257        0.2424228672
HM2        -0.8424512713        3.9273310098       -1.3389211238
HM3        -3.0095733931       -3.0956056478       -1.2345066850
HM4        -4.1106217952       -1.9463704965       -2.0106931076
HM5        -4.4853667675       -2.5793542394       -0.3962879375
HM6        -1.2976410035        1.8394492981       -2.4800375215
HM7         2.4133317211        1.2605889682       -1.1573847294
HM8        -1.0199736913        0.6070378044        0.2883611787
HM9         3.1627562686       -2.5478393170       -0.3691564640
HM10        4.4713218682       -2.3421729383        0.8012540403
HM11        2.9729094830       -3.1307571570        1.2967060958
HM12        3.0574254252       -0.7765686994        2.1442354717
HM13        3.3496919846       -0.1813536255        0.5301169220
HM14        1.0074531863        0.1968773528        1.2191292842
HM15       -0.6231563732       -1.6662022135        1.3678996649
HM16        0.6555663481       -2.8561832259        1.2436908880
HM17        1.5994734328       -2.0911819526        3.4310025462
HM18       -0.1134237688       -2.4806669726        3.6074985158
HM19        0.3955603478       -0.7884989096        3.5057683677
HM20        0.4244434761        0.0004308236       -2.3258280115
           43
Energy of minimum     83=      -63.7262622741 first found at step      192
C82        -1.8579341462        1.2765799216        3.5810365967
C81        -0.4710370355        0.7573161308        3.1550137328
C8         -0.4679392763        0.1152781508        1.7437883492
C9         -1.3214961313       -1.1802352477        1.6649579273
C91        -2.6824997140       -0.9353159196        0.9842172986
O7          0.9160290273       -0.2143568210        1.4164425173
C6          1.4850301612        0.3129233972        0.1830708099
C7          1.4273076687        1.8291859387        0.2049697283
C2          1.1352621465        2.5899164634       -0.8749951750
C1          1.1199191359        4.0930089488       -0.8125216751
O1B         0.8334877117        4.7408116856       -1.8058836301
O1A         1.3825187577        4.6645011599        0.2332859027
C3          0.8333451683        1.9539583563       -2.2259995452
C4          1.2941649373        0.4798266703       -2.3109361292
N4          0.8088037813       -0.1303707527       -3.5715489277
HAB         1.1224153963       -1.1039523032       -3.5768405842
HAA        -0.2102470988       -0.2071798513       -3.5159294791
C5          0.7979985241       -0.3005596838       -1.0640302345
N5          1.0531869439       -1.7580933904       -1.1392587287
HAD         1.9331349388       -2.0958781467       -0.7783358671
C10         0.1681502318       -2.6772725893       -1.5737101904
C11         0.6377707743       -4.1147583752       -1.4842111924
O10        -0.9261135553       -2.3558864799       -2.0061598980
HM1        -0.2421764125        2.0081558619       -2.4121767114
HM2         1.3225021481        2.5079719302       -3.0307868229
HM3        -0.1287783121       -4.7993557706       -1.8559670365
HM4         0.8628107832       -4.3755262754       -0.4470017786
HM5         1.5455186445       -4.2546831071       -2.0764998206
HM6         2.3904411819        0.4605227047       -2.3145353362
HM7         1.6566882486        2.2909441684        1.1641379219
HM8        -0.2793263142       -0.1332117088       -0.9817578121
HM9        -2.2589912522        1.9653377808        2.8339259626
HM10       -1.7817281887        1.8096890063        4.5312526439
HM11       -2.5618142928        0.4528734173        3.7150019915
HM12        0.2257634811        1.5990743783        3.1637870888
HM13       -0.1131009536        0.0367913106        3.8950864567
HM14       -0.8465593168        0.8506916050        1.0269676884
HM15       -0.7904053289       -1.9459842635        1.0959412329
HM16       -1.4834094080       -1.5937381161        2.6635308755
HM17       -3.2522873879       -1.8659852703        0.9386847102
HM18       -2.5425579452       -0.5712379612       -0.0359725242
HM19       -3.2737301398       -0.2008486643        1.5337101981
HM20        2.5398824178        0.0190717111        0.1662494663
           43
Energy of minimum     84=      -63.6994901178 first found at step      314
C82        -0.1708341743       -0.7692735689       -4.2016895936
C81         0.3238309862       -1.2265753701       -2.8151360835
C8          0.4515453800       -0.0585560098       -1.8029908407
C9          1.4685945506        1.0424233833       -2.2217563029
C91         2.9096742662        0.5254887406       -2.4166578926
O7          0.8339701595       -0.6298568883       -0.5186897498
C6          0.5234726241        0.1512954482        0.6646793962
C7          1.7332099428        0.0725706617        1.5736883399
C2          1.6782329564       -0.1578175692        2.9061834455
C1          2.9164379630       -0.1927750928        3.7603961467
O1B         2.8263738823       -0.4249745612        4.9548542626
O1A         4.0120851058        0.0013429696        3.2588803476
C3          0.3488710288       -0.3748098894        3.6174366717
C4         -0.8653117747        0.1005971445        2.7866130781
N4         -2.1248454043       -0.3545122516        3.4267847309
HAB        -2.8954346818       -0.0638050181        2.8194481205
HAA        -2.1547236251       -1.3770349157        3.4080076809
C5         -0.7526695501       -0.4227506590        1.3295505036
N5         -1.9746622481       -0.2230848005        0.5071490642
HAD        -2.3905536649       -1.0484273000        0.0997694894
C10        -2.5660297400        0.9565808296        0.2233342971
C11        -3.7848594610        0.8564730072       -0.6709708241
O10        -2.1418506701        2.0164001762        0.6510951836
HM1         0.2390920571       -1.4384379075        3.8430402573
HM2         0.3306609785        0.1544202949        4.5731234041
HM3        -3.5150304128        0.4047323166       -1.6289808272
HM4        -4.2118958719        1.8443873649       -0.8611561766
HM5        -4.5493252435        0.2321022277       -0.2017897263
HM6        -0.8543297544        1.1960450398        2.7647749405
HM7         2.6901251519        0.2326252952        1.0795565701
HM8        -0.5911822354       -1.5034759841        1.4051270392
HM9         0.5676239668       -0.1338823956       -4.6946349126
HM10       -0.3460499482       -1.6373547543       -4.8409627492
HM11       -1.1081624944       -0.2150657999       -4.1135862758
HM12       -0.3926504303       -1.9519054876       -2.4211084729
HM13        1.2760983063       -1.7508184304       -2.9226692902
HM14       -0.5342553254        0.4042072233       -1.7034940585
HM15        1.1339589025        1.5200557911       -3.1449138937
HM16        1.4809392657        1.8304185089       -1.4656338305
HM17        3.2751417607        0.0324817484       -1.5133516509
HM18        3.5770966950        1.3606277436       -2.6400452380
HM19        2.9672008825       -0.1792465318       -3.2484083655
HM20        0.3604198982        1.1991652708        0.3951337853
           43
Energy of minimum     85=      -63.6769186329 first found at step       23
C82         2.9062728822        0.6185515844        2.7890831978
C81         1.6183245165        0.7157737984        1.9490593677
C8          1.8662695785        0.5952458893        0.4184742293
C9          2.7418715872        1.7461522838       -0.1491526820
C91         4.2124582319        1.3227457932       -0.3394409948
O7          0.5809274818        0.6413157790       -0.2658323065
C6         -0.1795090782       -0.5943704645       -0.3217367361
C7          0.3166719589       -1.4091200930       -1.5025597801
C2         -0.4929847716       -2.0585256478       -2.3708494784
C1          0.0516226584       -2.8779765067       -3.5091894156
O1B        -0.7137649281       -3.4311698099       -4.2816977254
O1A         1.2574108965       -2.9834842194       -3.6654573159
C3         -2.0084340288       -2.0073926408       -2.2262563573
C4         -2.4639276076       -1.5166787181       -0.8320859383
N4         -3.9311414954       -1.2855743720       -0.8307645352
HAB        -4.1579258443       -0.5824406270       -1.5389316943
HAA        -4.4025904448       -2.1392617783       -1.1439862756
C5         -1.6800286684       -0.2369669905       -0.4391340032
N5         -2.1729255283        0.3794274845        0.8152048949
HAD        -2.3531777040       -0.2350718039        1.5933591938
C10        -2.3952463882        1.6951567264        1.0018803949
C11        -2.8444207239        2.0747838408        2.3989987731
O10        -2.2505846720        2.5095809300        0.1041116292
HM1        -2.4131753363       -1.3426018481       -2.9936821006
HM2        -2.4446159178       -2.9943767305       -2.3988097545
HM3        -3.7754185019        1.5610935658        2.6517332623
HM4        -3.0106324724        3.1522644088        2.4762746586
HM5        -2.0860134859        1.7875764988        3.1318132607
HM6        -2.2320799780       -2.2984628242       -0.0990348081
HM7         1.3977687595       -1.4602524421       -1.6179143409
HM8        -1.7877931274        0.4790089447       -1.2598191273
HM9         3.5520497183        1.4823398991        2.6199304757
HM10        2.6572553954        0.5917312156        3.8522098001
HM11        3.4596006234       -0.2911897553        2.5449728662
HM12        0.9474727731       -0.0819396579        2.2748962403
HM13        1.1178853147        1.6620496000        2.1708285459
HM14        2.3473570728       -0.3629985860        0.1970135023
HM15        2.3588617372        2.0570989770       -1.1248711259
HM16        2.6926155302        2.6229732245        0.5015629954
HM17        4.6684964506        1.0224853712        0.6049558481
HM18        4.7920015568        2.1540059227       -0.7469833833
HM19        4.2822992528        0.4852745531       -1.0374682917
HM20       -0.0291032737       -1.1667807752        0.5992950344
           43
Energy of minimum     86=      -63.6088828297 first found at step       68
C82         3.5067168154        1.3403635583        1.5700791836
C81         2.0319751757        1.2597196464        2.0192698024
C8          1.2459473167        0.0663531857        1.4116815590
C9          1.8648643296       -1.3276011284        1.7142860535
C91         1.9587677464       -1.6266938240        3.2236921500
O7          1.1687654648        0.2626113504       -0.0299462798
C6          0.0859808347       -0.4055399233       -0.7291741069
C7          0.6739610929       -0.9691471612       -2.0067603216
C2          0.1050917720       -0.8565592281       -3.2292482680
C1          0.7258557245       -1.4675257345       -4.4562620001
O1B         0.1921531762       -1.3260312900       -5.5443325583
O1A         1.7674546751       -2.0973918661       -4.3665907710
C3         -1.2124751891       -0.1180622769       -3.4224038034
C4         -1.9961358298        0.0778179437       -2.1040627161
N4         -3.1305092476        1.0070906833       -2.3328669265
HAB        -3.7927055291        0.5663925628       -2.9777464000
HAA        -3.6406520858        1.0951449147       -1.4503854433
C5         -1.0521954947        0.6125536638       -0.9944389719
N5         -1.7440477024        1.0402543938        0.2498343286
HAD        -1.6126184331        1.9993071452        0.5358173730
C10        -2.5292298619        0.2738918120        1.0352200360
C11        -3.0926031199        0.9793732730        2.2520953785
O10        -2.7575980857       -0.8966109727        0.7816997652
HM1        -1.0066103527        0.8592492280       -3.8662245388
HM2        -1.8572273764       -0.6540603739       -4.1228318559
HM3        -3.7019081141        1.8338816827        1.9471567563
HM4        -2.2815154359        1.3467033321        2.8860067102
HM5        -3.7149617145        0.3022657830        2.8426266978
HM6        -2.3879715202       -0.8960710873       -1.7899210699
HM7         1.6132170113       -1.5056289776       -1.8815780184
HM8        -0.5744066256        1.5028252061       -1.4160012232
HM9         3.5835503297        1.3832870290        0.4814614425
HM10        3.9706518823        2.2411052062        1.9778411466
HM11        4.0763261356        0.4805310283        1.9279605412
HM12        1.9916073833        1.2121554614        3.1096011779
HM13        1.5294512279        2.1882892233        1.7367695675
HM14        0.2344257998        0.0950268234        1.8262838875
HM15        1.2473358869       -2.1045800330        1.2584931985
HM16        2.8568949836       -1.4121533851        1.2648340188
HM17        2.6665744067       -0.9571793963        3.7164319291
HM18        2.3021069311       -2.6515483374        3.3809791919
HM19        0.9817894668       -1.5167567939        3.6999931803
HM20       -0.2960938505       -1.2370523468       -0.1293398030
           43
Energy of minimum     87=      -63.5883830563 first found at step      322
C82         0.8624712869       -1.7762536472       -3.4360615132
C81         1.3617066968       -1.9619928661       -1.9890778132
C8          1.6991022652       -0.6027553030       -1.3182551206
C9          2.5059514321       -0.7559497509        0.0008800252
C91         3.9624095046       -1.2017919498       -0.2394902555
O7          0.4949581200        0.2049983606       -1.0969544041
C6         -0.5215042094       -0.2470531966       -0.1535757194
C7         -1.7222645709       -0.7426017965       -0.9402153658
C2         -3.0077113207       -0.4241721738       -0.6618524767
C1         -4.1572079787       -0.9770080790       -1.4604840777
O1B        -5.3007399526       -0.6496792951       -1.1886451336
O1A        -3.9473091913       -1.7445388437       -2.3858226540
C3         -3.3589018944        0.4931764376        0.5008974044
C4         -2.2040896607        0.6322751076        1.5183716436
N4         -2.5379357860        1.6786900625        2.5186730040
HAB        -2.6622022469        2.5715527840        2.0346404936
HAA        -3.4514287385        1.4671607079        2.9301160717
C5         -0.8805332900        0.9432778725        0.7699356356
N5          0.2375565299        1.2689278783        1.6856736680
HAD         0.5941180840        0.5266374134        2.2659985854
C10         0.7930121287        2.4878835269        1.8307417099
C11         1.9136101342        2.5627291887        2.8489913889
O10         0.4161059544        3.4512558079        1.1822064646
HM1        -3.6175325614        1.4798023182        0.1079841071
HM2        -4.2381150714        0.1219089751        1.0331036942
HM3         1.5488890957        2.2714105927        3.8372124818
HM4         2.3155291079        3.5770849144        2.9128131915
HM5         2.7251141057        1.8852873636        2.5714287683
HM6        -2.0860838917       -0.3252108169        2.0395181411
HM7        -1.4963475079       -1.4147672042       -1.7631966515
HM8        -1.0719366750        1.8034226541        0.1211387872
HM9         1.6414026771       -1.3214777076       -4.0523823399
HM10       -0.0205841999       -1.1362914296       -3.4755193410
HM11        0.6046149895       -2.7437791146       -3.8722685429
HM12        0.6201782722       -2.5082257910       -1.4020926627
HM13        2.2527083972       -2.5906956546       -2.0274301836
HM14        2.3262399065       -0.0360432839       -2.0141332322
HM15        2.5354240310        0.2061331564        0.5161653582
HM16        2.0220712970       -1.4728345968        0.6681788671
HM17        4.5111326627       -1.2070456025        0.7049104477
HM18        4.4685146505       -0.5160851203       -0.9229000320
HM19        4.0076079530       -2.2088283045       -0.6577258133
HM20       -0.1380005354       -1.0685335943        0.4585033939
           43
Energy of minimum     88=      -63.5260950541 first found at step     4184
C82        -2.5284579505       -2.2082046023       -2.4981587048
C81        -1.4432715312       -1.1582651569       -2.8128974558
C8         -1.1857833677       -0.1960015342       -1.6226232754
C9         -0.0886873891        0.8569992919       -1.9473908731
C91        -0.4085018818        1.7217708139       -3.1836538043
O7         -0.8131984769       -1.0206753330       -0.4675617136
C6         -0.6610143697       -0.4591477608        0.8728214345
C7         -1.6154426149        0.6981012723        1.1141746902
C2         -1.2631467419        1.8597611678        1.7106017230
C1         -2.2563000306        2.9628888263        1.9574301993
O1B        -1.8961176111        4.0018444629        2.4860249904
O1A        -3.4205861674        2.8243630751        1.6185694477
C3          0.1601401726        2.0860312897        2.2015325431
C4          0.9317613989        0.7633888470        2.4155685402
N4          2.3469793131        1.0569135515        2.7483519983
HAB         2.3842140593        1.5245341979        3.6587314846
HAA         2.8309238063        0.1658997259        2.8866612037
C5          0.8272305760       -0.1231476854        1.1495251227
N5          1.6342912938       -1.3636453022        1.2376161514
HAD         1.3412845587       -2.0639184859        1.9019078457
C10         2.6942012476       -1.6585342484        0.4582111659
C11         3.3180585793       -3.0158284317        0.7150022151
O10         3.1120774335       -0.8825558857       -0.3857425347
HM1         0.6950973793        2.7015730159        1.4740408243
HM2         0.1625561536        2.6354970274        3.1456886586
HM3         4.1695830539       -3.1859929517        0.0512763787
HM4         2.5841963416       -3.8082844022        0.5476893046
HM5         3.6651154794       -3.0845124637        1.7490932431
HM6         0.4743883761        0.2223058925        3.2524596137
HM7        -2.6432571045        0.5299054489        0.7972024118
HM8         1.2050218624        0.4808259302        0.3247302591
HM9        -3.4605711739       -1.7213050979       -2.2022642588
HM10       -2.7273161735       -2.8177851913       -3.3823746226
HM11       -2.2122442598       -2.8753820512       -1.6933202249
HM12       -0.5157937875       -1.6648759464       -3.0922803205
HM13       -1.7792459063       -0.5912259684       -3.6830248582
HM14       -2.1226240464        0.3258825755       -1.4069760084
HM15        0.0157355508        1.5407188904       -1.1035893100
HM16        0.8744443616        0.3623368023       -2.0944814030
HM17       -0.3599433984        1.1349312500       -4.1029508854
HM18        0.3188498670        2.5321072684       -3.2692889778
HM19       -1.4036542722        2.1643813796       -3.0987480452
HM20       -0.9409926094       -1.2536735042        1.5724158266
           43
Energy of minimum     89=      -63.5034212835 first found at step       71
C82        -1.6927882926        1.9250240117        3.1072816588
C81        -0.7328931857        2.2803803312        1.9516890791
C8         -0.9559610539        1.4475601203        0.6603660663
C9         -2.3920963672        1.5495968767        0.0733367345
C91        -2.7862645939        2.9927673675       -0.2987302483
O7         -0.6512112260        0.0553211558        0.9620901181
C6         -0.2895595330       -0.7967684042       -0.1560086012
C7         -1.0058309753       -2.1160838766        0.0499262372
C2         -0.4311275858       -3.3327403497       -0.0953533294
C1         -1.2070080636       -4.6080335212        0.0935871063
O1B        -0.6469284259       -5.6854815872       -0.0253752017
O1A        -2.3938833754       -4.5667140831        0.3751867954
C3          1.0356689962       -3.4736150239       -0.4807598461
C4          1.6298714619       -2.1769062232       -1.0771567753
N4          3.1024501268       -2.3099091326       -1.2083679191
HAB         3.4575568990       -1.4155608281       -1.5565231858
HAA         3.5107560638       -2.4025495098       -0.2748231894
C5          1.2507817650       -0.9594627455       -0.1917500871
N5          1.9583738469        0.2999143887       -0.5421399082
HAD         2.4991428336        0.7385555991        0.1894975599
C10         1.9258807263        0.9325584734       -1.7340915560
C11         2.7245954354        2.2186444727       -1.7920832965
O10         1.2949071750        0.4998858508       -2.6831926922
HM1         1.6074832899       -3.7599406574        0.4054087357
HM2         1.1679732794       -4.2726792580       -1.2140693736
HM3         2.3505540653        2.9300357128       -1.0514010066
HM4         2.6537378437        2.6780955058       -2.7812227370
HM5         3.7774489827        2.0213418088       -1.5753982430
HM6         1.1968313529       -2.0313743073       -2.0730898772
HM7        -2.0573843503       -2.0300217948        0.3193001828
HM8         1.5485827580       -1.2204074057        0.8295098606
HM9        -1.6318230178        0.8631893464        3.3555285515
HM10       -1.4281849065        2.4968723210        3.9993638915
HM11       -2.7261873836        2.1661739939        2.8508154360
HM12       -0.8232042044        3.3449350161        1.7252624473
HM13        0.2946164130        2.1279991830        2.2916339133
HM14       -0.2470662734        1.8092139967       -0.0896840169
HM15       -2.4569471547        0.9424321999       -0.8321671274
HM16       -3.1230072130        1.1430661773        0.7760234847
HM17       -2.8633909281        3.6232690982        0.5892739029
HM18       -3.7574237093        2.9979131502       -0.7984994287
HM19       -2.0504950394        3.4305996782       -0.9772423351
HM20       -0.6365464558       -0.3570971277       -1.0959517802
           43
Energy of minimum     90=      -63.4628423892 first found at step      205
C82         0.6480180287       -2.9885009055       -2.3843841739
C81        -0.2042347139       -2.9518222903       -1.1004038255
C8          0.1591190703       -1.7436943165       -0.1942053528
C9          1.0527726539       -2.1324829656        1.0115952667
C91         2.4501137278       -2.6306009772        0.5958114360
O7         -1.0775311431       -1.1788352745        0.3363402807
C6         -1.4535496748        0.1700869981       -0.0646761808
C7         -1.5399489399        0.2572457830       -1.5772932088
C2         -1.1231634308        1.3246103451       -2.2966400695
C1         -1.2599952818        1.3811825025       -3.7938561733
O1B        -0.8527313458        2.3549123964       -4.4058612188
O1A        -1.7698371578        0.4512420548       -4.3975483920
C3         -0.5164957590        2.5446826029       -1.6145841254
C4         -0.8104857325        2.5927917930       -0.0964253085
N4         -0.0382833840        3.6891613538        0.5353319861
HAB        -0.2486562537        3.6701248103        1.5362204949
HAA         0.9546624831        3.4445815662        0.4933857603
C5         -0.4877135941        1.2173867298        0.5461113571
N5         -0.5815267626        1.2162005845        2.0247910328
HAD        -1.4801857379        1.0078099547        2.4341890721
C10         0.4576219832        1.3871384928        2.8659869057
C11         0.1195278900        1.2698751426        4.3380545188
O10         1.5814864040        1.6212454706        2.4533015969
HM1         0.5647150712        2.5394984238       -1.7735852909
HM2        -0.8978579397        3.4656946215       -2.0619812383
HM3        -0.6297320163        2.0155166972        4.6155946413
HM4         1.0080237966        1.4234021171        4.9556970530
HM5        -0.2874808605        0.2791056000        4.5552378724
HM6        -1.8792395193        2.7945742156        0.0423037081
HM7        -1.9872737652       -0.6041137255       -2.0705975475
HM8         0.5339663762        0.9552135407        0.2574165599
HM9         1.7112428559       -3.0721573536       -2.1536087168
HM10        0.3644960171       -3.8458017641       -2.9988324844
HM11        0.4929532736       -2.0812939344       -2.9729061087
HM12       -1.2548553952       -2.8945960990       -1.3963876598
HM13       -0.0839023615       -3.8909036673       -0.5543808928
HM14        0.6777077422       -0.9886469336       -0.7927955736
HM15        1.1807521544       -1.2597198328        1.6551318112
HM16        0.5591907205       -2.9022733268        1.6104721625
HM17        2.3854345366       -3.5809814608        0.0624773718
HM18        3.0703995626       -2.7853821907        1.4813708969
HM19        2.9464705275       -1.8986293923       -0.0454866011
HM20       -2.4539941061        0.3571526134        0.3396183581
           43
Energy of minimum     91=      -63.4218534507 first found at step       89
C82         3.1238871545       -0.1655388294       -2.1081109691
C81         2.8351046909        1.2045102866       -1.4565991764
C8          1.6754933046        1.1793339461       -0.4234348489
C9          1.9097851466        0.1933138152        0.7575220710
C91         3.2332931744        0.4443206796        1.5081531602
O7          0.4497002789        0.8756909688       -1.1692230483
C6         -0.8720736413        0.9246921508       -0.5492344192
C7         -0.9661873497        2.0207127447        0.4981310837
C2         -1.5638529470        1.8677267852        1.7018338784
C1         -1.6624955322        2.9960317888        2.6923939441
O1B        -2.1969022868        2.8138200457        3.7739553895
O1A        -1.1982873485        4.0913573367        2.4197032895
C3         -2.2047115133        0.5434665923        2.0951804319
C4         -2.5286149005       -0.3491461093        0.8745292659
N4         -2.9966301695       -1.6787202598        1.3357917048
HAB        -3.8948904412       -1.5671411925        1.8148713852
HAA        -3.2041151255       -2.2453362568        0.5092758805
C5         -1.2804551440       -0.4789544461       -0.0335718249
N5         -1.4745370657       -1.4143817418       -1.1671708158
HAD        -2.1142437724       -1.1365973131       -1.8959541638
C10        -0.8135463957       -2.5771634527       -1.3371382796
C11        -1.1513491980       -3.3233392371       -2.6124428480
O10        -0.0075858513       -2.9887120578       -0.5187100699
HM1        -1.5285606491        0.0057570695        2.7645357489
HM2        -3.1321940905        0.7104751310        2.6477106387
HM3        -0.9174929871       -2.7080230568       -3.4849338010
HM4        -2.2169770566       -3.5645208773       -2.6402354717
HM5        -0.5830015631       -4.2542937253       -2.6823193692
HM6        -3.3274843462        0.1273057976        0.2938836641
HM7        -0.5389024393        2.9800582058        0.2113402569
HM8        -0.4823499357       -0.8612421855        0.6023834411
HM9         2.2312344363       -0.5646551541       -2.5947975841
HM10        3.9035823548       -0.0600791172       -2.8655836562
HM11        3.4717085302       -0.8898741165       -1.3691309058
HM12        3.7465023510        1.5793287151       -0.9859789724
HM13        2.5864094628        1.9197012648       -2.2448372728
HM14        1.5926293400        2.1897262253       -0.0126109863
HM15        1.1053988527        0.3084387410        1.4859478570
HM16        1.8841881508       -0.8401452314        0.4054673488
HM17        4.0964572813        0.2123840730        0.8812538345
HM18        3.2853051529       -0.1910870548        2.3950091599
HM19        3.3022911817        1.4859093422        1.8302352644
HM20       -1.5755290943        1.1848897097       -1.3470902156
           43
Energy of minimum     92=      -63.3975213371 first found at step      125
C82        -2.4642100760        2.5916408491       -1.9696657744
C81        -2.3279581901        1.0582972426       -1.8823973812
C8         -1.8052503492        0.5166854295       -0.5244787906
C9         -2.7313706524        0.8463947832        0.6842117062
C91        -2.4198702000        2.1642423025        1.4294711318
O7         -0.4363213632        0.9825368102       -0.3244065022
C6          0.4001880330        0.2754910539        0.6327460640
C7          1.3567205335        1.3168137605        1.1839316369
C2          2.6948861015        1.1570892887        1.2985154199
C1          3.5800615999        2.2271639140        1.8781686268
O1B         4.7856077177        2.0513280565        1.9455372189
O1A         3.0953022151        3.2753080603        2.2732558867
C3          3.3693469970       -0.1356385211        0.8682960777
C4          2.3774329801       -1.3146214587        0.7695904076
N4          3.0620869329       -2.4908512863        0.1780712984
HAB         3.7848480998       -2.8155477030        0.8268740821
HAA         2.3859776293       -3.2569201526        0.1261582093
C5          1.1326218983       -0.9065714792       -0.0616117773
N5          0.2269316915       -2.0571800308       -0.3010045149
HAD        -0.2144945226       -2.4783941795        0.5030203692
C10        -0.0458761326       -2.5927486815       -1.5086407350
C11        -1.0035895519       -3.7667820032       -1.4840154579
O10         0.4408308943       -2.1518799151       -2.5367144060
HM1         3.8457641034        0.0171007646       -0.1033564592
HM2         4.1591650368       -0.4137604699        1.5700267597
HM3        -0.5955802375       -4.5765525696       -0.8739189757
HM4        -1.1804894369       -4.1475622762       -2.4930929058
HM5        -1.9620208000       -3.4645878149       -1.0542750479
HM6         2.0409546253       -1.5728056629        1.7807427775
HM7         0.8880584891        2.2459968547        1.5028711815
HM8         1.5044666211       -0.5346371030       -1.0212337667
HM9        -1.5352887310        3.0877922344       -1.6801438174
HM10       -2.6996280337        2.8849267266       -2.9950597027
HM11       -3.2743097818        2.9481974412       -1.3310867799
HM12       -3.2990005419        0.6060563427       -2.0986827878
HM13       -1.6499718095        0.7246393409       -2.6720473086
HM14       -1.7945888838       -0.5692742965       -0.6303048420
HM15       -3.7704757264        0.8653366299        0.3464399342
HM16       -2.6634606451        0.0279614657        1.4050204696
HM17       -1.4573185849        2.1068469732        1.9393386384
HM18       -3.1832925035        2.3474630406        2.1886868196
HM19       -2.4029844848        3.0219703911        0.7576996115
HM20       -0.2139009607       -0.1009641526        1.4574634055
           43
Energy of minimum     93=      -63.3626546545 first found at step     1625
C82        -1.7949510614        1.4434225991       -2.5149947795
C81        -2.1989285153        0.1503065319       -1.7773320299
C8         -1.0985407592       -0.9472893741       -1.8583541195
C9         -1.7104785107       -2.3561446615       -2.0744762949
C91        -2.6275177859       -2.8231038080       -0.9220534732
O7         -0.2989492223       -1.0059839897       -0.6364215905
C6          0.5032642945        0.1392596910       -0.2402858456
C7          1.6796869089        0.3000701552       -1.1885384214
C2          2.9550463609        0.5214065154       -0.7931226244
C1          4.0734958187        0.7107012188       -1.7821170026
O1B         5.2136796300        0.8899887677       -1.3864129143
O1A         3.8438886947        0.6747837900       -2.9803005794
C3          3.3221808775        0.6170754407        0.6820147488
C4          2.1001599688        0.8706626843        1.5943445452
N4          2.4948299460        0.7086852307        3.0157911630
HAB         3.1651548960        1.4440953644        3.2572994518
HAA         1.6699744577        0.9056979060        3.5883508840
C5          0.9512202614       -0.1015131479        1.2202037494
N5         -0.2018824854       -0.1049612771        2.1581328180
HAD        -0.4693480091       -0.9977988415        2.5440527896
C10        -0.9649822262        0.9546638029        2.4973183570
C11        -2.1160543435        0.6356099865        3.4301369040
O10        -0.7396409462        2.0794857150        2.0829669274
HM1         3.8096925887       -0.3130270237        0.9848539621
HM2         4.0424035912        1.4211391846        0.8502789647
HM3        -1.7409429958        0.2102164818        4.3643852651
HM4        -2.7873370948       -0.0928521267        2.9682493205
HM5        -2.6897429128        1.5358977584        3.6645083058
HM6         1.7572312080        1.8985095314        1.4312752241
HM7         1.4412281191        0.2559320198       -2.2483461286
HM8         1.3892810096       -1.1043817270        1.2477749473
HM9        -1.6251641657        1.2400266374       -3.5748099082
HM10       -2.5934808690        2.1843383895       -2.4356704537
HM11       -0.8856646452        1.8802527596       -2.1009342405
HM12       -2.4383686358        0.3749030916       -0.7346277949
HM13       -3.1200266522       -0.2112129231       -2.2412595103
HM14       -0.4460698342       -0.7454843590       -2.7125441227
HM15       -2.2792975671       -2.3623961183       -3.0076517361
HM16       -0.9014822828       -3.0805531586       -2.1980602257
HM17       -2.0795391461       -2.8705276865        0.0215116733
HM18       -3.0154275764       -3.8212546837       -1.1366594603
HM19       -3.4791429276       -2.1515390780       -0.7958701483
HM20       -0.1094574610        1.0428927307       -0.2626065966
           43
Energy of minimum     94=      -63.3367087725 first found at step     2443
C82        -2.3042192929       -2.8275922987        1.7301409351
C81        -2.2739259893       -1.2960559278        1.9095647955
C8         -0.9309316731       -0.6735288419        1.4373885046
C9          0.0438454288       -0.3698908828        2.6117418087
C91         0.4501590963       -1.6224184554        3.4120579242
O7         -1.2583652997        0.5527848923        0.7146931104
C6         -0.2254961115        1.3159866356        0.0248621817
C7         -0.9303227127        2.5838767534       -0.4214762886
C2         -0.9747864306        3.0448101858       -1.6916896694
C1         -1.6825601436        4.3225463452       -2.0543571573
O1B        -1.7147928887        4.6954417368       -3.2155950079
O1A        -2.2357742410        4.9816883438       -1.1887902068
C3         -0.2603463594        2.3035951511       -2.8078709604
C4          0.9024310569        1.4462854171       -2.2675351418
N4          1.5163767025        0.6842971470       -3.3824198335
HAB         1.9593263609        1.3422784845       -4.0300654136
HAA         2.2849062319        0.1289853404       -2.9985623660
C5          0.4053093109        0.4988319708       -1.1424904049
N5          1.5019705229       -0.3755235771       -0.6539454485
HAD         2.2369074662        0.0593501129       -0.1156229650
C10         1.6123062493       -1.6988477856       -0.8897392953
C11         2.8407918760       -2.3536614563       -0.2919328994
O10         0.7699410866       -2.3129692684       -1.5225311742
HM1        -0.9729135156        1.6626644081       -3.3329438833
HM2         0.1457129445        3.0009433606       -3.5441517442
HM3         3.7480999188       -1.9015039472       -0.7002012880
HM4         2.8575628337       -3.4244563840       -0.5100571882
HM5         2.8507015511       -2.2203382095        0.7928439206
HM6         1.6579009937        2.1160717524       -1.8397587993
HM7        -1.4292999407        3.1305685929        0.3773696493
HM8        -0.3884973858       -0.1164979745       -1.5771759416
HM9        -1.5173614697       -3.3146887157        2.3077041310
HM10       -3.2653682032       -3.2249632380        2.0636427637
HM11       -2.1735644709       -3.0922441327        0.6782981214
HM12       -3.1013027591       -0.8801484484        1.3283090339
HM13       -2.4681443495       -1.0431634928        2.9549602944
HM14       -0.4611649239       -1.3698139491        0.7412615264
HM15        0.9615074442        0.0744796152        2.2228579067
HM16       -0.4061663845        0.3595809208        3.2899412025
HM17       -0.4007127310       -2.0357546790        3.9569998020
HM18        1.2201396087       -1.3646637976        4.1425609744
HM19        0.8536215658       -2.3906563505        2.7483680356
HM20        0.5564990265        1.6043146461        0.7333464549
           43
Energy of minimum     95=      -63.3091048747 first found at step      241
C82        -3.5686225975       -1.6088997245        0.4333306429
C81        -2.1740404407       -2.2204897176        0.6979608955
C8         -1.0153288693       -1.1919435015        0.8418856069
C9         -0.7170408196       -0.7909496559        2.3116240353
C91        -1.8726259461       -0.0702327685        3.0346792214
O7         -1.2866713798        0.0092717828        0.0558633276
C6         -0.4128765744        0.3256147322       -1.0639831517
C7         -0.3745453657       -0.8369087534       -2.0377384303
C2          0.7405119340       -1.2324231663       -2.6940191276
C1          0.7270705598       -2.3711546148       -3.6770393478
O1B         1.7597290756       -2.7074951496       -4.2330323814
O1A        -0.3128900378       -2.9651161257       -3.9116697204
C3          2.0712107421       -0.5192788170       -2.4856057522
C4          1.9151128489        0.8640662836       -1.8098474575
N4          3.2472874093        1.4094453732       -1.4560961468
HAB         3.0923272049        2.3102778820       -0.9969581485
HAA         3.6414733721        0.8267000871       -0.7127724459
C5          0.9937840043        0.7425301178       -0.5666648495
N5          0.9140225411        1.9825230295        0.2403561477
HAD         0.1909019641        2.6452378440        0.0030212731
C10         1.6654304918        2.2490721501        1.3269543011
C11         1.3324912784        3.5458441350        2.0358455567
O10         2.5465214192        1.4906254943        1.6966286377
HM1         2.7189405767       -1.1499331620       -1.8715676144
HM2         2.5835300941       -0.3736763992       -3.4396458441
HM3         0.2953645808        3.5331463473        2.3804135415
HM4         1.4564773400        4.3924523069        1.3559357442
HM5         1.9839104043        3.6961131088        2.9004479920
HM6         1.4388119050        1.5455356640       -2.5246549760
HM7        -1.3253386979       -1.3420398727       -2.2005341725
HM8         1.3915979988       -0.0616118270        0.0587800931
HM9        -3.5925332984       -1.0965553494       -0.5310679585
HM10       -3.8531128484       -0.8978086940        1.2093518572
HM11       -4.3214516281       -2.3997289658        0.4083298031
HM12       -2.2198632643       -2.8481775547        1.5913551275
HM13       -1.9383215232       -2.8907761492       -0.1320652098
HM14       -0.1115689669       -1.6791151050        0.4636538463
HM15       -0.4479644179       -1.6848170859        2.8796084549
HM16        0.1604549711       -0.1419048410        2.3268463265
HM17       -2.2113847633        0.7996004458        2.4676812046
HM18       -1.5384107776        0.2745861855        4.0156096949
HM19       -2.7166224446       -0.7443440210        3.1908446042
HM20       -0.8557480550        1.1827380514       -1.5820452008
           43
Energy of minimum     96=      -63.2830794800 first found at step      154
C82        -0.7853507347       -2.2221746627       -2.3224481100
C81        -1.8689627106       -2.2856775715       -1.2295493035
C8         -1.3146044758       -1.9055028908        0.1670276669
C9         -2.3284169823       -2.2019212258        1.3033991025
C91        -3.6482198348       -1.4076193719        1.1977293662
O7         -0.9770076847       -0.4876410008        0.1901225764
C6          0.4273604206       -0.1466807288        0.3385496862
C7          0.8609111657       -0.4338802608        1.7667632014
C2          1.5662632070        0.4219449184        2.5419686714
C1          1.9940573723        0.0621106513        3.9394125444
O1B         2.6097013999        0.8700250393        4.6154216291
O1A         1.7184841735       -1.0333228815        4.4016226105
C3          1.9883379831        1.7911368609        2.0275940669
C4          1.9423826557        1.8973698104        0.4857933602
N4          2.1543857410        3.3125450665        0.0804133039
HAB         1.4342737270        3.8962347265        0.5132162214
HAA         3.0376239457        3.6421577755        0.4799625791
C5          0.5893323552        1.3451373931       -0.0425164951
N5          0.3427497553        1.5799129416       -1.4883320607
HAD        -0.4950814578        2.0851668010       -1.7315307133
C10         1.1451381735        1.2102343052       -2.5085177894
C11         0.6520137498        1.6208177846       -3.8821114679
O10         2.1767798432        0.5808287469       -2.3374435840
HM1         1.3314780499        2.5480391063        2.4638035879
HM2         3.0044639616        2.0283395564        2.3519503403
HM3         1.3417423500        1.2858598887       -4.6609884484
HM4         0.5611065998        2.7082021248       -3.9437552720
HM5        -0.3305671878        1.1842149975       -4.0785288646
HM6         2.7542135187        1.2839955701        0.0793615577
HM7         0.5826203852       -1.4117683600        2.1536148873
HM8        -0.1901985333        1.8837771298        0.5056163797
HM9         0.0591721436       -2.8665847145       -2.0678067475
HM10       -1.1954205272       -2.5560318748       -3.2780811539
HM11       -0.4208822574       -1.2019698037       -2.4490427731
HM12       -2.6927946572       -1.6239175152       -1.5071808765
HM13       -2.2662442399       -3.3031473925       -1.1945927677
HM14       -0.4179105732       -2.5048873662        0.3557081378
HM15       -2.5577317259       -3.2703549518        1.3092870729
HM16       -1.8603223355       -1.9787895109        2.2650974082
HM17       -3.4600444147       -0.3318382391        1.1887788453
HM18       -4.2859703263       -1.6314518633        2.0556500383
HM19       -4.1990181282       -1.6746963818        0.2937586240
HM20        1.0201561101       -0.7581926264       -0.3491970382
           43
Energy of minimum     97=      -63.2561446107 first found at step     1456
C82        -2.3004243133       -3.4673642542       -0.3820103651
C81        -2.2590265812       -2.1093286723       -1.1155774179
C8         -0.9167825402       -1.3432324774       -0.9580799155
C9          0.3264504713       -2.1384056088       -1.4535814873
C91         0.2138744923       -2.5802435136       -2.9266273852
O7         -0.7814575337       -0.9895508082        0.4534179957
C6          0.2820133156       -0.0968253431        0.8948366817
C7          0.3698640661       -0.3089703230        2.3945781783
C2          0.3411525251        0.6731797515        3.3241817376
C1          0.4572581379        0.3817551429        4.7961780149
O1B         0.5907255124       -0.7679120435        5.1837363429
O1A         0.4067914632        1.2935782026        5.6053350750
C3          0.2266384175        2.1328586618        2.9158711719
C4          0.6853119899        2.3705556618        1.4614791428
N4          0.4017819566        3.7755457675        1.0759763323
HAB         0.9794906176        4.3975442145        1.6486615573
HAA         0.7394394814        3.9083961933        0.1193010734
C5         -0.0245379412        1.3783381841        0.5013755272
N5          0.2366193906        1.6715163661       -0.9331031077
HAD        -0.5574979891        1.9404717881       -1.4954270476
C10         1.4327377819        1.6201608587       -1.5568550554
C11         1.3878486043        1.9238004328       -3.0406017496
O10         2.4649094907        1.3511133828       -0.9661045024
HM1        -0.8114900449        2.4558687470        3.0266481410
HM2         0.8291857093        2.7690447780        3.5682127321
HM3         0.7422388306        1.2065662118       -3.5538789188
HM4         2.3866083792        1.8682963539       -3.4809561091
HM5         0.9883798142        2.9266703030       -3.2111279634
HM6         1.7658232997        2.1960747759        1.4091449691
HM7         0.4662746444       -1.3497325007        2.6998761496
HM8        -1.0964100665        1.5217815175        0.6719889883
HM9        -2.0921675215       -3.3445089470        0.6830573938
HM10       -3.2917080536       -3.9144864041       -0.4833999459
HM11       -1.5744046563       -4.1662245715       -0.8018785699
HM12       -2.4747732294       -2.2666415047       -2.1745668180
HM13       -3.0672970842       -1.4812545451       -0.7323112626
HM14       -1.0039629228       -0.4298776928       -1.5492682062
HM15        1.2155267923       -1.5108036584       -1.3748404477
HM16        0.4978706804       -3.0135484833       -0.8225029747
HM17       -0.5763496673       -3.3216471665       -3.0598830123
HM18        1.1533016136       -3.0312281145       -3.2538138555
HM19        0.0042605372       -1.7232880045       -3.5710036982
HM20        1.2359121301       -0.4080426583        0.4635426113
           43
Energy of minimum     98=      -63.2302653910 first found at step      595
C82         2.7711880406        0.2367302122        2.1879265498
C81         1.5115548768        0.8996208435        1.5907164222
C8          0.2249951228        0.0300285118        1.6933550438
C9         -0.1443521232       -0.3709476965        3.1457812915
C91        -0.4235788191        0.8419375495        4.0557774726
O7          0.3293079539       -1.2135002770        0.9242764104
C6          0.3494766323       -1.2222857230       -0.5388713409
C7          1.7520841351       -0.9626868225       -1.0501217805
C2          2.0284594120       -0.2628290360       -2.1746559760
C1          3.4372548859       -0.0625745048       -2.6634689935
O1B         3.6436948040        0.5930712579       -3.6715431125
O1A         4.3737886094       -0.5497585441       -2.0511629584
C3          0.9149215120        0.3413557194       -3.0219333550
C4         -0.4789600585       -0.2529204699       -2.7050838417
N4         -1.5308003119        0.5235375887       -3.4095945168
HAB        -1.5041735585        1.4931732898       -3.0840578969
HAA        -1.3015829534        0.5683428707       -4.4066668131
C5         -0.7023986099       -0.2735990530       -1.1693124638
N5         -2.0767438587       -0.6657625475       -0.7786156544
HAD        -2.3378953528       -1.6319401896       -0.9001795990
C10        -3.0216333201        0.1781524471       -0.3201820882
C11        -4.3669766630       -0.4580026052       -0.0337249650
O10        -2.7908922763        1.3632720334       -0.1409518971
HM1         0.8935288882        1.4215313907       -2.8560664613
HM2         1.1158423496        0.1878564002       -4.0850533657
HM3        -5.0781317242        0.2842456854        0.3375569775
HM4        -4.2621006721       -1.2443869965        0.7180390141
HM5        -4.7760930718       -0.9065103785       -0.9425156686
HM6        -0.5045244703       -1.2866771185       -3.0696896602
HM7         2.5531477887       -1.4044815774       -0.4611720713
HM8        -0.4998635474        0.7415447298       -0.8189722235
HM9         2.9418895887       -0.7510252090        1.7565758910
HM10        3.6488514530        0.8539342921        1.9842274802
HM11        2.6824177345        0.1309843288        3.2709288685
HM12        1.3456006703        1.8525165373        2.0973696669
HM13        1.6980080973        1.1581367572        0.5474594000
HM14       -0.6136304594        0.6156057089        1.3106759956
HM15       -1.0467374238       -0.9871803398        3.1178204958
HM16        0.6425825373       -0.9855525345        3.5888937564
HM17        0.4818566892        1.4290126144        4.2215429374
HM18       -0.7855705175        0.5031731947        5.0289849515
HM19       -1.1854336658        1.4884423995        3.6141614338
HM20        0.0916216762       -2.2435847399       -0.8384733555
           43
Energy of minimum     99=      -63.1968288836 first found at step      232
C82         2.0977869043        1.8415102554        0.9176390332
C81         1.9345222041        0.6643801403        1.8993017358
C8          0.4926523476        0.0835043240        1.8860741626
C9          0.0153757630       -0.2000389889        3.3321341809
C91        -1.4559969686       -0.6590964943        3.3812045615
O7          0.4203169605       -1.1849362850        1.1547807363
C6          0.4372185399       -1.2503044509       -0.3041918010
C7          1.8506475154       -1.1242557283       -0.8322782921
C2          2.1632682819       -0.5255356794       -2.0048085812
C1          3.5774280476       -0.4579002933       -2.5135921530
O1B         3.8183768480        0.1114918833       -3.5654285814
O1A         4.4839349905       -0.9678284454       -1.8751460605
C3          1.0873900766        0.1056571129       -2.8818029356
C4         -0.3487387210       -0.3348990034       -2.5044266906
N4         -1.3402846602        0.4956271378       -3.2340315288
HAB        -1.2134790422        1.4761713405       -2.9710001578
HAA        -1.1347267395        0.4578579023       -4.2365792844
C5         -0.5411386331       -0.2492081037       -0.9669197719
N5         -1.9346072918       -0.4954779469       -0.5294432560
HAD        -2.2907848493       -1.4347632399       -0.6146634048
C10        -2.7753184770        0.4466790379       -0.0602401622
C11        -4.1616137590       -0.0503809020        0.2971395052
O10        -2.4264506397        1.6084811252        0.0744869464
HM1         1.1635995259        1.1930095630       -2.8006555186
HM2         1.2543972600       -0.1453721647       -3.9321671240
HM3        -4.7815387722        0.7646071685        0.6791839978
HM4        -4.0998200214       -0.8274618057        1.0632491048
HM5        -4.6508453515       -0.4759821889       -0.5825734890
HM6        -0.4786781110       -1.3806168690       -2.8074143486
HM7         2.6236097420       -1.5802501109       -0.2162303651
HM8        -0.2454670046        0.7612410808       -0.6775586784
HM9         1.4214869780        2.6568501698        1.1845231501
HM10        3.1208398532        2.2220411619        0.9546894532
HM11        1.8839837148        1.5422558810       -0.1076790924
HM12        2.6668231586       -0.1150766156        1.6786139162
HM13        2.1788554643        1.0382225021        2.8968346001
HM14       -0.1988491019        0.8132679911        1.4581317873
HM15        0.6516960395       -0.9590104932        3.7949967630
HM16        0.1082362580        0.7101145069        3.9301291161
HM17       -2.1095851691        0.0978700667        2.9422319107
HM18       -1.7651429896       -0.8170822357        4.4167369005
HM19       -1.5955160678       -1.5969262741        2.8390383331
HM20        0.0961358969       -2.2584360324       -0.5622886175
           43
Energy of minimum    100=      -63.1707417629 first found at step     1427
C82        -1.7743196330        3.1305434221        0.1360327115
C81        -1.8453293233        2.5012066132       -1.2747029726
C8         -1.8350167398        0.9448840387       -1.3424038457
C9         -2.7853984663        0.2649810237       -0.3219879685
C91        -3.1300946427       -1.1762339711       -0.7434888878
O7         -0.4915959512        0.3528387335       -1.3144024485
C6          0.3889571065        0.5358661709       -0.1701734145
C7          1.4002482826        1.6112507700       -0.5324878236
C2          2.7297694813        1.5285065688       -0.2955308165
C1          3.6764034784        2.6410062210       -0.6568234234
O1B         4.8714529685        2.5173051696       -0.4438811730
O1A         3.2525387672        3.6631165028       -1.1717858000
C3          3.3347478031        0.3043083567        0.3745236570
C4          2.2753538569       -0.5612030285        1.0906226016
N4          2.8916823227       -1.8271064364        1.5564513765
HAB         2.1547757356       -2.3766451357        2.0045206615
HAA         3.1409152820       -2.3802168964        0.7321290546
C5          1.0706106071       -0.8191781855        0.1454703451
N5          0.1026377264       -1.7895715491        0.7114206273
HAD        -0.5838425421       -1.4389810004        1.3621453654
C10         0.0661574512       -3.1054256810        0.4190117698
C11        -1.0014468439       -3.8984564800        1.1459703774
O10         0.8523124519       -3.6080731494       -0.3668559255
HM1         3.8460290119       -0.2986267581       -0.3800387198
HM2         4.0869940552        0.5978174266        1.1106139215
HM3        -1.9938268333       -3.5011181058        0.9214563998
HM4        -0.8472938408       -3.8379393101        2.2262000060
HM5        -0.9746035522       -4.9502144703        0.8501329197
HM6         1.9117739004       -0.0082927501        1.9648822142
HM7         0.9906600305        2.4982959831       -1.0079084096
HM8         1.4634919823       -1.2124519047       -0.7979514506
HM9        -0.8300249445        2.9155495669        0.6341786484
HM10       -1.8598108366        4.2163653199        0.0553033414
HM11       -2.5921321476        2.7824042582        0.7698118923
HM12       -2.7767975815        2.8430702176       -1.7326865202
HM13       -1.0437681975        2.9022220356       -1.8982576178
HM14       -2.2288877935        0.7056050951       -2.3355183986
HM15       -2.3469109722        0.2619134454        0.6780732095
HM16       -3.7185112640        0.8306099238       -0.2619327838
HM17       -3.6815989255       -1.1766861637       -1.6864689325
HM18       -3.7529808100       -1.6534191542        0.0162236669
HM19       -2.2279487703       -1.7744297718       -0.8767756629
HM20       -0.1853716901        0.8446030388        0.7068882283
