   82
Energy of minimum  1=      -41.5086294285 first found at step     2239
H        7.5771650902      -21.0421240130        6.4546948153
C        7.1103223466      -21.4083812551        5.5417507824
C        6.2653358333      -20.3110621971        4.9411951999
O        6.5866735907      -19.7956365601        3.8767961756
H        6.4845361711      -22.2705149504        5.7630093580
H        7.8822016652      -21.6918376542        4.8279516159
H        5.0972549198      -20.3209451164        6.5560231046
N        5.1915328396      -19.9282514120        5.6284979371
C        4.2975058721      -18.8393270868        5.2242920755
C        4.9018767739      -17.4590796736        5.5668748148
O        4.3460663505      -16.6854627807        6.3539908317
H        4.1686761848      -18.8750193557        4.1408554958
C        2.9231453403      -19.0767083289        5.8640610586
H        2.5354863690      -20.0497570023        5.5603797077
H        3.0104822300      -19.0453765466        6.9480081851
H        2.2263713320      -18.3029825520        5.5402172279
H        6.4226844545      -17.8727837825        4.3359985440
N        6.0560208972      -17.1640199899        4.9630446249
C        6.8186232791      -15.9296052432        5.1250133784
C        5.9628917164      -14.6927849119        4.7984554101
O        5.3497061790      -14.6221324142        3.7329047149
H        7.1468091695      -15.8629868168        6.1615768786
C        8.0663300172      -16.0125841213        4.2380118618
H        8.6705418261      -15.1143822438        4.3696576813
H        8.6613312796      -16.8843331958        4.5137950941
H        7.7734847925      -16.0939275090        3.1897109311
H        6.4088345159      -13.9451139960        6.5874357859
N        5.9015762361      -13.7388381952        5.7330432490
C        4.9763591011      -12.6000363449        5.7833311291
C        3.4942849118      -13.0125819936        5.9065902690
O        2.8510991767      -12.6452210943        6.8874596532
H        5.2040456858      -12.0631161516        6.7051156638
C        5.2546025393      -11.6138595722        4.6379596002
H        4.6470203097      -10.7185326011        4.7746151743
H        6.3075858401      -11.3301988732        4.6411813361
H        5.0073813106      -12.0607561795        3.6747083568
H        3.6256323494      -14.0696473210        4.2277080541
N        2.9726398342      -13.7928665682        4.9536525254
C        1.5890121032      -14.2675740812        4.8323862980
C        0.9476229784      -14.7363565197        6.1542234698
O       -0.1952793317      -14.3871176764        6.4366505201
H        0.9816638388      -13.4345582957        4.4750687920
C        1.5574073025      -15.3649886340        3.7613245778
H        0.5317121177      -15.7090585249        3.6213814842
H        2.1798141520      -16.2064653735        4.0679503381
H        1.9298958785      -14.9705734924        2.8148825220
H        2.5998397073      -15.7803581804        6.6463785551
N        1.6793721580      -15.5019380053        6.9696088618
C        1.3308256670      -15.7675522578        8.3672820733
C        2.5748792528      -15.6082509868        9.2630980401
O        2.9155482191      -16.4947443696       10.0499315652
H        0.6030458660      -15.0269476929        8.7042484818
C        0.6679565162      -17.1500356130        8.4591123751
H        0.3492240821      -17.3356103179        9.4853672437
H        1.3721238331      -17.9242095114        8.1597778094
H       -0.2063905752      -17.1830157357        7.8075847213
H        2.8804407112      -13.8099372543        8.4488357043
N        3.2695628292      -14.4719008734        9.1145191756
C        4.6213723286      -14.1691198052        9.6034184372
C        5.6946738443      -15.1550805200        9.0937471733
O        6.5647940310      -14.7669532160        8.3154384394
H        4.8915530241      -13.2004050031        9.1806359293
C        4.6113189843      -13.9853207490       11.1290805310
H        3.8865138776      -13.2173001712       11.4021021896
H        4.3465239856      -14.9173656639       11.6289823967
H        5.6004268687      -13.6716154464       11.4648425810
H        4.8359238726      -16.5909381569       10.1354701312
N        5.6197608592      -16.4161369800        9.5203836698
C        6.4096888066      -17.5519095924        9.0392495989
C        5.6085603048      -18.8735542654        8.9384576617
O        6.1080623624      -19.8451058122        8.3732022469
H        6.7687438633      -17.3292398724        8.0337592803
C        7.6315555047      -17.7087494631        9.9538587467
H        7.3113443708      -17.9402583923       10.9704580091
H        8.2119152401      -16.7850594736        9.9582153913
H        8.2632074464      -18.5183469026        9.5856231142
H        3.9742733551      -18.0869972232        9.8403584728
N        4.3764906019      -18.9380810112        9.4648679597
C        3.5494343173      -20.1426034237        9.5132417251
H        2.5280524954      -19.8137318812        9.7121004741
H        3.9279760362      -20.6608521122       10.3961099095
H        3.5305989512      -20.8519571933        8.6840046399
