           48
Energy of minimum      1=     -157.0823478416 first found at step      126
H        -2.1582427267       -1.0542940977        5.9047125477
H        -1.3579641469        0.3355319867        6.5306171636
N        -1.3761853142       -0.3833005865        5.7827287343
H        -0.4804749648       -0.9370972218        5.7408277379
C        -1.4099678487        0.1950743991        4.4557146132
C        -0.5235812584        1.4427119140        4.4474854142
C        -0.5804306437        2.2677226053        3.1688208615
C        -1.6811923901        3.0591080608        2.8973319060
C        -1.7307304131        3.7958266025        1.7307842755
C         0.4795387206        2.2265753773        2.2859903252
C         0.4322595363        2.9590548850        1.1198497640
C        -0.6799157474        3.7234042816        0.8410701508
O        -0.7574679415        4.3948230367       -0.3628818196
H        -0.2277463167        3.9276857636       -1.0271170927
C        -0.8109613164       -0.9280314080        3.6179242896
O         0.0873940928       -1.6142260313        4.1208508832
N        -1.2676981594       -1.1531004757        2.3874800653
H        -1.8534712635       -0.4858394845        1.9661787001
C        -0.8457220628       -2.3098651342        1.6094662790
C         0.4370211773       -2.0459954066        0.8366883296
O         0.4519932014       -2.0867868378       -0.3983271048
N         1.5225319582       -1.7546631717        1.5615304043
H         1.4226408546       -1.7295807989        2.5402483056
C         2.8211897929       -1.4554314504        0.9695727943
C         2.8078179269       -0.1454959810        0.1928772714
O         3.2298519418        0.9022172479        0.6798884119
N         2.3056786032       -0.2332284700       -1.0380388904
H         2.0228932015       -1.1223381623       -1.3425803890
C         2.0842765871        0.9289618343       -1.8832259623
C         2.7821729938        0.7744194297       -3.2483035601
C         2.3489655228       -0.3934537404       -4.1322796211
C         2.7425409329       -1.6862505810       -3.8348583579
C         1.5893747962       -0.1478034335       -5.2614746927
C         2.3779825050       -2.7241058041       -4.6674182183
C         1.2324945708       -1.1921168557       -6.0897040851
C         1.6251377596       -2.4792634833       -5.7947987695
C         0.5969177688        1.2403503011       -2.0400035406
O         0.2015374660        2.4034262178       -2.1475871633
N        -0.2559294780        0.2109967732       -2.0016816218
H         0.0749407722       -0.6739820582       -1.7361746204
C        -1.6916737189        0.3791889876       -2.1986321341
C        -2.3408188337       -0.9602715589       -2.5475747506
C        -1.9105097085       -1.5334034564       -3.8883097275
S        -2.6298974993       -3.1626995624       -4.2090587279
C        -1.3562517782       -4.1770534049       -3.5142763651
C        -2.3971749935        0.9830282316       -0.9873043668
O        -3.2658945116        1.8305569286       -1.1796879041
O        -2.0872496465        0.5890137926        0.1426602576
           48
Energy of minimum      2=     -156.8545058006 first found at step      117
H        -6.2737986479       -0.8414686911        1.9693848735
H        -5.2206275724       -2.0723054555        1.3455282904
N        -5.7138658535       -1.1603803417        1.1562650920
H        -6.2956225922       -1.2851686536        0.3061267780
C        -4.5922868851       -0.2884008792        0.8765590972
C        -4.0055072584        0.1896610726        2.2067241821
C        -2.9125603452        1.2434535081        2.0894266027
C        -3.2353452792        2.5517718080        1.7801901515
C        -2.2384270828        3.4999339708        1.6662116575
C        -1.5970837187        0.8847768881        2.3031463597
C        -0.5994950531        1.8282028224        2.1877467822
C        -0.9248997377        3.1245896543        1.8525900613
O         0.0824147850        4.0499475833        1.6654550859
H         0.8954156915        3.5907757916        1.4040610002
C        -3.6438178663       -1.2339629358        0.1499798593
O        -3.6077511514       -2.4158487960        0.5139823168
N        -2.8944949825       -0.7797566291       -0.8526338634
H        -2.8236374880        0.1899565252       -0.9956545708
C        -2.0948717380       -1.6717889701       -1.6807274061
C        -0.7190115808       -1.9277225931       -1.0859460386
O         0.3049417640       -1.5933507474       -1.6917384225
N        -0.6889392754       -2.5090187445        0.1182724070
H        -1.5514835433       -2.7264104567        0.5391554730
C         0.5471193607       -2.8138301749        0.8296395659
C         1.3032897228       -1.5581132171        1.2431764047
O         1.2235179890       -1.0968363134        2.3805410570
N         2.0469744651       -1.0137245708        0.2807129366
H         2.0591123141       -1.4703577425       -0.5881314766
C         2.7533712411        0.2474315222        0.4445790063
C         4.1822263444        0.1384337233       -0.0897978522
C         5.0505021231       -0.8610400728        0.6628922836
C         5.3129994270       -2.0990638155        0.1065178175
C         5.5748259988       -0.5298761183        1.8987353094
C         6.0975749437       -3.0039352366        0.7916416849
C         6.3583581449       -1.4421172843        2.5753602854
C         6.6198364674       -2.6778240663        2.0244176071
C         2.0239320920        1.3730848087       -0.2814746861
O         1.9511293523        2.5036881003        0.2053698541
N         1.4319950243        1.0669530064       -1.4399434140
H         1.3137357186        0.1227199925       -1.6810951928
C         0.8116462391        2.0788364058       -2.2870390074
C         0.6973456045        1.5661368620       -3.7227915738
C         2.0375710145        1.3166956962       -4.4002977316
S         1.8539270537        0.6518083075       -6.0735970471
C         1.8487799678       -1.0782662905       -5.6984793145
C        -0.5598284328        2.5285948913       -1.7909737422
O        -0.8515990760        3.7189367090       -1.8808532453
O        -1.3375876888        1.6841791471       -1.3332152978
           48
Energy of minimum      3=     -156.4041501583 first found at step      120
H        -5.1121184887        1.7173372223       -2.2966404330
H        -4.7166829608        2.9963529114       -3.3277773129
N        -4.8211509630        2.7297190523       -2.3304105516
H        -5.4881865692        3.3462368230       -1.8290534938
C        -3.5259881500        2.6702277162       -1.6857915851
C        -3.7371190576        2.6780639678       -0.1700740109
C        -2.4637980182        2.7773259333        0.6591001545
C        -1.7899017352        3.9802155236        0.7611330544
C        -0.6312437870        4.0608134164        1.5073132792
C        -1.9919096577        1.6590930287        1.3161505598
C        -0.8344291304        1.7356175361        2.0597299540
C        -0.1527007203        2.9307558798        2.1357155289
O         1.0445819591        2.9862863096        2.8207988397
H         1.4520192452        2.1064174225        2.8263482377
C        -3.0026021269        1.3252941550       -2.1744036634
O        -3.8144900044        0.4036495129       -2.3230321450
N        -1.7061174355        1.1749339874       -2.4380901026
H        -1.0742402637        1.8678881058       -2.1441848573
C        -1.1827141315       -0.0345975173       -3.0574864110
C        -0.8507370436       -1.1067776738       -2.0316379354
O         0.3071740584       -1.5168514434       -1.8961642888
N        -1.8682213222       -1.5546815836       -1.2879694072
H        -2.7551635268       -1.1592527073       -1.4470700737
C        -1.7181628000       -2.5747016559       -0.2565476376
C        -0.8665865061       -2.0974457760        0.9124666017
O        -1.3694157308       -1.6760979583        1.9528677385
N         0.4484529550       -2.1765802325        0.7120160013
H         0.7493977673       -2.5445103414       -0.1468100108
C         1.4252042985       -1.6676119651        1.6622606435
C         2.5523824607       -2.6797754381        1.8720630958
C         2.0975558655       -3.9922402075        2.4965315002
C         1.9504882483       -5.1156862745        1.7044465574
C         1.8334525936       -4.0590164092        3.8521459620
C         1.5355728787       -6.3028305834        2.2721591934
C         1.4192499065       -5.2512387842        4.4098009432
C         1.2694754229       -6.3721699655        3.6224284956
C         2.0119742782       -0.3460410107        1.1773715087
O         2.2476149344        0.5729050312        1.9652486543
N         2.2126969261       -0.2140318385       -0.1374441636
H         1.8057264242       -0.8632635815       -0.7510702158
C         2.8804667645        0.9506892619       -0.7062267154
C         3.4477207738        0.6156613078       -2.0871717320
C         4.5575796574       -0.4286055611       -2.0794149855
S         6.0186254931        0.0921826305       -1.1452871181
C         6.9462074169        0.8552579481       -2.4455222672
C         1.9836066699        2.1815142830       -0.8031790649
O         2.4742613185        3.2824441993       -0.5634139494
O         0.8021918133        2.0371253427       -1.1362223719
           48
Energy of minimum      4=     -156.3117666656 first found at step      108
H        -4.9622151086       -3.9430782653        0.2039845745
H        -5.3428995626       -3.5395637211        1.8336795688
N        -4.5997300980       -3.5950158780        1.1118553435
H        -3.8066081687       -4.2242140489        1.4046194963
C        -3.9064017625       -2.3370489364        0.9294641153
C        -3.7424160371       -1.6710445696        2.2974629469
C        -3.1666215161       -0.2616696180        2.2667659490
C        -3.9554568460        0.8056854737        1.8796800483
C        -3.4263546534        2.0805119075        1.8522679678
C        -1.8543291067       -0.0552452078        2.6410286695
C        -1.3225296724        1.2155002429        2.6121265378
C        -2.1065962474        2.2718854959        2.2024552810
O        -1.5513694476        3.5324876176        2.1089114976
H        -0.5958185924        3.4539394148        1.9643351133
C        -2.5697231745       -2.8048931252        0.3677439230
O        -2.0979859329       -3.8661068410        0.7941643609
N        -1.9539028473       -2.0810972698       -0.5647886624
H        -2.2739297857       -1.1714038539       -0.7541659987
C        -0.7578496831       -2.5592254331       -1.2437668803
C         0.5109571035       -2.2170074724       -0.4789800265
O         1.3671957015       -1.4761346776       -0.9735328029
N         0.6290003272       -2.7407404702        0.7460967397
H        -0.1128702908       -3.2975886200        1.0746753088
C         1.7832747433       -2.5117617274        1.6079237541
C         1.9056187820       -1.0583110508        2.0472755397
O         1.5069464577       -0.6761161563        3.1462686048
N         2.4720325298       -0.2521123896        1.1505811473
H         2.7611715564       -0.6592845092        0.3055760093
C         2.5803299070        1.1862797142        1.3356502341
C         4.0058410951        1.6805528397        1.0114776939
C         4.5023571758        1.4744016796       -0.4195980701
C         4.5191022560        2.5419423859       -1.2996520239
C         4.9402981965        0.2305913538       -0.8384851706
C         4.9598778525        2.3590426383       -2.5941659239
C         5.3789719953        0.0578056832       -2.1351476168
C         5.3875825582        1.1187377770       -3.0139865722
C         1.5336386095        1.9327495779        0.5102357728
O         0.9640326321        2.9335670355        0.9507436376
N         1.2304419576        1.4180544747       -0.6845264588
H         1.5112398978        0.5007584665       -0.8940271915
C         0.3809813082        2.1138192380       -1.6404779707
C         0.7337986463        1.6140200392       -3.0437505386
C         0.1562656410        2.4287653198       -4.1938050418
S         0.6573787791        1.7848859945       -5.8094425281
C         2.1968964528        2.6379753956       -5.9999614687
C        -1.1053248454        1.9246272274       -1.3349116682
O        -1.8519139890        2.8964053352       -1.4292887750
O        -1.5123847939        0.8036715130       -1.0105884461
           48
Energy of minimum      5=     -156.2240285189 first found at step      114
H        -3.4252077276       -4.9832090084        2.0560851770
H        -3.4113007576       -4.3046324250        3.6381861690
N        -2.9411816826       -4.3433132842        2.7141220668
H        -1.9383340354       -4.6581582076        2.7905568922
C        -2.7788041608       -3.0341314891        2.1173092487
C        -2.4395120804       -2.0347988617        3.2255154198
C        -2.3896881013       -0.5766494473        2.7894675535
C        -3.5598455904        0.1235141095        2.5616709961
C        -3.5072767008        1.4444897849        2.1639677272
C        -1.1673513199        0.0453974580        2.6354855839
C        -1.1114315492        1.3628645734        2.2359414469
C        -2.2804784055        2.0483264761        1.9869387457
O        -2.2191273463        3.3462764837        1.5205045425
H        -1.3879095936        3.4751028042        1.0382823497
C        -1.5940340787       -3.2678917111        1.1883513927
O        -0.7014821393       -4.0373599343        1.5649960728
N        -1.5507247333       -2.6599035005        0.0045952557
H        -2.1857990060       -1.9341894731       -0.1847093100
C        -0.5247861739       -2.9690391017       -0.9814277653
C         0.7333681295       -2.1396614984       -0.7783939552
O         1.1195889313       -1.3516393305       -1.6483840482
N         1.3712733333       -2.2993529442        0.3862771798
H         0.9828078947       -2.9304907033        1.0336997762
C         2.5880163854       -1.5764093890        0.7384061426
C         2.3506593189       -0.0801434905        0.8956399192
O         2.1973487994        0.4401834244        1.9995156741
N         2.3260468276        0.6040248763       -0.2477609480
H         2.4792839037        0.0987486572       -1.0753162238
C         2.0031477908        2.0208495894       -0.3150350903
C         3.0018320241        2.7604739313       -1.2064865304
C         4.4303357905        2.7477744890       -0.6785463944
C         5.3638144693        1.8977584084       -1.2418087115
C         4.7916322996        3.5849897587        0.3609019487
C         6.6565386095        1.8860919387       -0.7596405407
C         6.0871569288        3.5655105426        0.8354199982
C         7.0192391341        2.7176238815        0.2775865493
C         0.5900579366        2.2304751874       -0.8496868603
O        -0.1376501104        3.1146319356       -0.3922298363
N         0.1622471457        1.3877558067       -1.7951009140
H         0.6727823701        0.5676644431       -1.9705641595
C        -1.1185872497        1.5597470028       -2.4688575334
C        -1.0827939499        0.7864418947       -3.7915291538
C        -2.2613670526        1.0315427361       -4.7271391235
S        -2.1370745375        0.0816543805       -6.2628309193
C        -1.2863691356        1.2615180085       -7.2715812432
C        -2.2922077069        1.1133956801       -1.5945121657
O        -3.2913930595        1.8275031224       -1.5449788131
O        -2.2054600383        0.0486424147       -0.9729035886
           48
Energy of minimum      6=     -154.6788650499 first found at step       88
H        -3.2388653964       -4.7972417443        1.7355497218
H        -2.2774952977       -5.4899105865        2.9864535620
N        -2.2791673284       -5.0089630204        2.0675923230
H        -1.8039162453       -5.5764249752        1.3156172708
C        -1.4693579149       -3.8079895350        2.0576423914
C        -0.2888134861       -3.9868214041        3.0195182964
C         0.5416174734       -2.7275137262        3.2340464905
C         0.0898692379       -1.7336318647        4.0825681153
C         0.7995527824       -0.5556379766        4.2047879999
C         1.7270254868       -2.5661206802        2.5443881576
C         2.4343432127       -1.3901036102        2.6601002714
C         1.9534784584       -0.3843259889        3.4701961952
O         2.6218039558        0.8221435116        3.5161148828
H         3.0829727322        0.9582311710        2.6735162650
C        -1.0046227425       -3.7237886218        0.6061642516
O        -0.9788423869       -4.7656518463       -0.0590094491
N        -0.6604555506       -2.5377940421        0.1085952986
H        -0.7079368687       -1.7529546465        0.6965947664
C        -0.2324297189       -2.3732180755       -1.2707114819
C         0.7301214271       -1.2074406221       -1.4325286763
O         0.3712075337       -0.1468491658       -1.9533200379
N         1.9616616366       -1.3950637403       -0.9463398272
H         2.1352745590       -2.2136630247       -0.4377170763
C         3.0453181692       -0.4318934406       -1.1114330930
C         2.8039694462        0.8787789817       -0.3746344743
O         3.2293633069        1.0730104260        0.7658802537
N         2.0947364391        1.7739449782       -1.0603644184
H         1.7613519059        1.5025198051       -1.9423503007
C         1.7058629383        3.0592215338       -0.5018676890
C         1.8051472962        4.1817348771       -1.5537872076
C         0.9236400071        4.0614116666       -2.7958032614
C        -0.1985315460        4.8607673604       -2.9166018346
C         1.2580641681        3.1861827206       -3.8139572030
C        -0.9775566541        4.7840728154       -4.0528577402
C         0.4711641799        3.1146142730       -4.9448365727
C        -0.6451504710        3.9125185108       -5.0665667248
C         0.3173006596        2.9983320698        0.1283678852
O         0.0204714549        3.7096563340        1.0872943705
N        -0.5566724958        2.1372662149       -0.4006995563
H        -0.2660869471        1.5432339310       -1.1265390173
C        -1.8924549053        1.9622666007        0.1550668733
C        -2.8218863530        1.3162155496       -0.8730737790
C        -3.0924051914        2.1766536498       -2.0974539432
S        -4.1164445381        1.3303724482       -3.3263962493
C        -2.8381156347        0.5703910159       -4.2867446963
C        -1.8528407931        1.1109159053        1.4206595209
O        -1.1711104421        0.0795910127        1.4160298803
O        -2.5141595590        1.4689549751        2.3928492659
           48
Energy of minimum      7=     -153.8787303741 first found at step      111
H        -3.4793812158       -4.0504528845        2.5888891947
H        -4.4417398407       -4.4894707324        1.2706590457
N        -4.2759257021       -3.7425166605        1.9717383238
H        -5.1309108766       -3.5219739624        2.5165432674
C        -3.7036323579       -2.5737474885        1.3376786980
C        -3.8379294841       -1.3870098392        2.2946672621
C        -3.3611016437       -0.0504154860        1.7422682540
C        -4.1043172879        0.6173706582        0.7866275697
C        -3.6606315498        1.8261801307        0.2886831315
C        -2.1837383570        0.4949353466        2.2129306975
C        -1.7384238287        1.7008420879        1.7177560525
C        -2.4710211337        2.3504619010        0.7479486004
O        -1.9899294260        3.5263659585        0.2062003729
H        -1.0439386999        3.6130901484        0.4056575780
C        -2.2509111568       -2.9973682410        1.1662340131
O        -1.7333943658       -3.6825503772        2.0567201493
N        -1.5909285481       -2.6449455961        0.0648919823
H        -2.0061774228       -2.0073152536       -0.5571969022
C        -0.2471756262       -3.1318162131       -0.2123635186
C         0.8240448435       -2.2881883359        0.4612799995
O         1.5840525012       -1.5806613073       -0.2078675726
N         0.8605806197       -2.3311650913        1.7975194581
H         0.1507892678       -2.8392631077        2.2524502392
C         1.8698056630       -1.6464663395        2.5987657251
C         1.8368573102       -0.1309217907        2.4463001630
O         1.2044914178        0.5853718811        3.2209221172
N         2.5320979439        0.3398128204        1.4103482926
H         2.9520651680       -0.3210771403        0.8196431181
C         2.5686523697        1.7514834951        1.0612527375
C         3.9495811958        2.1579670442        0.5054576237
C         4.4196553752        1.4685301532       -0.7747499659
C         4.3649312199        2.1492133958       -1.9775775603
C         4.9123044457        0.1762092790       -0.7372710112
C         4.7915130217        1.5332743923       -3.1360309910
C         5.3361563372       -0.4314215564       -1.9010536304
C         5.2751126525        0.2439273099       -3.1002043974
C         1.4422165916        2.1150712249        0.0966999015
O         0.8204698870        3.1738117719        0.2177167728
N         1.1368042167        1.2211212415       -0.8498465013
H         1.5872991816        0.3454353260       -0.8512095160
C         0.0864171781        1.4472638536       -1.8321471895
C         0.6349256007        2.2211639485       -3.0412083671
C        -0.4361458281        2.7057366682       -4.0101855483
S         0.2597893421        3.6182219420       -5.4098196793
C         0.2496962226        5.2515199124       -4.7274449355
C        -0.5039677225        0.0953452204       -2.2269089150
O        -1.5835423753       -0.2313734953       -1.7308995608
O         0.1245548763       -0.6496062128       -2.9804645787
           48
Energy of minimum      8=     -153.7590632476 first found at step       85
H        -4.3181468853       -3.3956347918       -2.3669278017
H        -5.3077828427       -3.7682089890       -1.0064746667
N        -4.3412228638       -3.6332255400       -1.3573855437
H        -3.7405427488       -4.4900215236       -1.2218015965
C        -3.5956921197       -2.6527536991       -0.5952679421
C        -4.0636816074       -2.6849078622        0.8645901719
C        -3.4697267418       -1.5876232089        1.7392177804
C        -3.9694547803       -0.2999858667        1.6747494348
C        -3.3710228101        0.7094281525        2.4022878965
C        -2.4027662348       -1.8778108541        2.5664242475
C        -1.8002442531       -0.8720202200        3.2889787300
C        -2.2730733896        0.4180003391        3.1834259929
O        -1.6132283844        1.4342719633        3.8437382301
H        -0.6804548267        1.1889815499        3.9485440993
C        -2.1556234161       -3.1384161418       -0.7352914222
O        -1.9645254309       -4.3345488327       -0.9826755740
N        -1.1664869442       -2.2576963523       -0.6021609828
H        -1.3958699717       -1.3225103281       -0.4117955362
C         0.2298910255       -2.6339840403       -0.7439785742
C         1.1395928066       -1.7789401876        0.1240770458
O         1.8449714782       -0.8912699443       -0.3649828130
N         1.0911271502       -2.0267037131        1.4374577449
H         0.4048253697       -2.6454072132        1.7616739416
C         1.9848418414       -1.4042634956        2.4090572243
C         1.8056526054        0.1035703978        2.5275958488
O         1.0495880445        0.6077934471        3.3603959155
N         2.5193463028        0.8106369529        1.6524732467
H         3.0341201019        0.3082268451        0.9852604713
C         2.4560361108        2.2618191774        1.5737851331
C         3.8144567010        2.8536008312        1.1414822253
C         4.3455539961        2.4410000854       -0.2315110410
C         4.1966088490        3.2936358808       -1.3111439641
C         4.9815208709        1.2238265034       -0.3992114449
C         4.6707500320        2.9212408507       -2.5521102119
C         5.4523340939        0.8604865215       -1.6441670450
C         5.2963074100        1.7056243431       -2.7209101889
C         1.3334494529        2.7184474037        0.6463060995
O         0.6900087114        3.7423432530        0.8720597974
N         1.0831997530        1.9486458578       -0.4150804698
H         1.5347030467        1.0796481715       -0.4948917993
C         0.0667154213        2.3000785060       -1.3939679917
C         0.4378854986        1.6624542614       -2.7350397162
C        -0.3894733487        2.1324955053       -3.9241656990
S         0.1280023896        1.3504839004       -5.4723028858
C         1.4130692547        2.4698544847       -5.9515064888
C        -1.3078106061        1.8388057364       -0.9115217658
O        -2.2522893275        2.6226203232       -0.9806248608
O        -1.4254387846        0.6879115594       -0.4766832513
           48
Energy of minimum      9=     -153.6246416693 first found at step       86
H        -3.4535345114       -4.7812032915        1.4678665049
H        -2.7522715661       -5.3370725747        2.9403071671
N        -2.5760273949       -4.9467085808        1.9957600454
H        -1.9684015625       -5.5770299316        1.4068474358
C        -1.7736683671       -3.7410458504        2.0240526007
C        -0.7996508414       -3.8096692440        3.2062132174
C        -0.0168663774       -2.5252365033        3.4492713930
C        -0.6159915392       -1.4576663930        4.0920444985
C         0.0657773644       -0.2651380309        4.2308073973
C         1.2801497321       -2.4187439011        2.9873027683
C         1.9608946657       -1.2288409486        3.1195065251
C         1.3409065965       -0.1538480962        3.7188080884
O         1.9975484812        1.0586108014        3.7742960439
H         2.6160757356        1.1157361716        3.0291337528
C        -1.0392479552       -3.7901291770        0.6869326671
O        -0.8917747640       -4.8905130435        0.1428427228
N        -0.6008509717       -2.6525002114        0.1520326021
H        -0.7593819082       -1.8152823613        0.6398135327
C         0.0872905764       -2.6150617998       -1.1275813073
C         1.0607941022       -1.4505195432       -1.2159929863
O         0.7982143061       -0.4437369501       -1.8811059140
N         2.1864569831       -1.5758968976       -0.5051538660
H         2.2675106377       -2.3447920429        0.0957792165
C         3.2812417423       -0.6127809034       -0.5591980297
C         2.9121240334        0.7510197846        0.0086923115
O         3.1305037808        1.0471749417        1.1851604687
N         2.3332762700        1.5740956338       -0.8642517223
H         2.1609762414        1.2252330113       -1.7649578951
C         1.8505508520        2.8945789355       -0.4926614147
C         2.1534282934        3.9336395205       -1.5905833799
C         1.5065845089        3.7207643192       -2.9581565885
C         0.4503719379        4.5254979477       -3.3450265144
C         1.9879415656        2.7537289537       -3.8228048685
C        -0.1175933388        4.3614278437       -4.5917366294
C         1.4110708643        2.5950307480       -5.0659237735
C         0.3598613743        3.3972535858       -5.4520988995
C         0.3669182997        2.8666803166       -0.1361657368
O        -0.1019224179        3.6410204076        0.6971051626
N        -0.3957778507        1.9623846255       -0.7579500944
H         0.0241351203        1.3143857184       -1.3643440141
C        -1.8155571214        1.8244590388       -0.4595896936
C        -2.5392439160        1.0915924540       -1.5919706924
C        -2.5703821054        1.8366972013       -2.9193226078
S        -3.4570446446        3.4128136687       -2.8303709478
C        -5.0682652866        2.8733376921       -3.3258153323
C        -2.0333928335        1.0823458385        0.8555284249
O        -1.3691109541        0.0628336688        1.0741399607
O        -2.8746458370        1.5110734476        1.6425184004
           48
Energy of minimum     10=     -152.8324507615 first found at step      112
H        -4.8799672377       -2.9269828335        1.9856432327
H        -4.4869946788       -3.3543244277        3.6079319449
N        -4.1449031017       -3.2699994918        2.6324422789
H        -3.7886091056       -4.1864609275        2.2505178012
C        -2.9571434804       -2.4501804272        2.5211013500
C        -2.1093248331       -2.6067385813        3.7915151932
C        -0.7786242049       -1.8606750041        3.7837208669
C        -0.7348959079       -0.4958135485        3.5646419427
C         0.4812245527        0.1470748562        3.4637378847
C         0.3925544315       -2.5735385175        3.9536110358
C         1.6103634522       -1.9328280685        3.8641156978
C         1.6442876917       -0.5817672129        3.5964097275
O         2.8643736853        0.0380648440        3.4229936068
H         2.7628104953        0.7609966034        2.7842167342
C        -2.2530056095       -3.0221168400        1.2966263183
O        -2.4558049864       -4.2042742442        1.0006917902
N        -1.4853460900       -2.2021593448        0.5840208803
H        -1.4586845348       -1.2537613220        0.8384442113
C        -0.7330516243       -2.6485333534       -0.5748712656
C         0.4099572733       -1.6949427039       -0.8826032408
O         0.3646056057       -0.9266242323       -1.8484071056
N         1.4307977952       -1.7164228031       -0.0190024300
H         1.3458740128       -2.2701948216        0.7840842267
C         2.6498139400       -0.9366874270       -0.2010769259
C         2.4115815716        0.5654010373       -0.1308327096
O         2.4877522415        1.1888340710        0.9297481853
N         2.0987603623        1.1267076521       -1.2982838245
H         2.0023449568        0.5341823478       -2.0747103182
C         1.7912268774        2.5422501019       -1.4315702657
C         2.1781924811        3.0474650449       -2.8220961722
C         3.6706584577        2.9679728104       -3.1150003684
C         4.1616614207        1.9507735112       -3.9122040950
C         4.5311065935        3.9123348575       -2.5861325401
C         5.5143447061        1.8805103767       -4.1750890044
C         5.8821004853        3.8329559099       -2.8554314853
C         6.3746973735        2.8190405546       -3.6480288260
C         0.3083085792        2.7957344737       -1.1894114966
O        -0.0790827843        3.8190029335       -0.6262905706
N        -0.5470332332        1.8559221835       -1.6025334412
H        -0.1959473517        1.0059339445       -1.9482982402
C        -1.9851363303        1.9987492430       -1.4217345429
C        -2.7063637159        1.0470774040       -2.3819202569
C        -4.2192994439        1.2201499018       -2.4505054661
S        -4.9985327296        0.0649722812       -3.6057269490
C        -4.9688589382        1.0513652810       -5.0752643871
C        -2.3677927269        1.7219521260        0.0332200113
O        -3.1295779883        2.5019439533        0.6018123880
O        -1.9054184048        0.7176578285        0.5857786194
