MD JobServer / TaskServer

No title                                
   1.00000000000000     
     9.1374560700000007    0.0000000000000000    0.0000000000000000
     0.0000000000000000    9.1374560700000007    0.0000000000000000
     0.0000000000000000    0.0000000000000000    9.1374560700000007
   C    H    N    O 
    56    30     4    10
Direct
  0.2702805114384891  0.0406120127373083  0.6427149879571165
  0.3218142213011073  0.1065728513342099  0.5011804387709712
  0.3931771180415882  0.2573997306011707  0.4937819547424996
  0.3352258437932265  0.0877062694601737  0.7639462563127911
  0.4300689226045873  0.2196675017588176  0.7477740436127190
  0.5143850160395916  0.2293219271913813  0.5977881076036597
  0.1354455790055019  0.9547542171760162  0.6190413843404634
  0.1773277061784709  0.1069785094374675  0.4273955026772736
  0.6504520029930790  0.3180433757926356  0.5962331869889750
  0.7873828050847341  0.2498137283069066  0.6026250330181091
  0.9063145567925658  0.3390405461361154  0.5815539784698547
  0.6407539622615002  0.4663066982380142  0.5740251143138899
  0.7628478930903350  0.5564869819766507  0.5604840831644944
  0.8972839828628394  0.4894960315504309  0.5558284551060655
  0.0466054472589624  0.5465146986773499  0.5417009985962780
  0.0520057302165187  0.3120624595474357  0.6345626389126847
  0.2486909182509867  0.4697963749007870  0.7096257590047897
  0.3422500735264120  0.3644123047342289  0.7769796309752086
  0.3823790295412155  0.4062731444498606  0.9150011355663552
  0.2388589866980375  0.6107831813087370  0.7685136971215422
  0.3144576457825340  0.6550379569051340  0.8916872050383072
  0.3845183853488579  0.5452978054244814  0.9687359273879498
  0.5765071801927696  0.4644921098931896  0.1193611559705794
  0.6378080893008642  0.3644468757911451  0.0209473038262980
  0.7354158359719214  0.2579738458046021  0.0671007653609201
  0.6311975448920362  0.4695940613724945  0.2591664491348599
  0.7411055723878126  0.3735933346780476  0.2963571667513795
  0.7888136206408433  0.2625826781731143  0.2076169255985123
  0.0819766313001086  0.4915640444496883  0.0966662046375606
  0.0410610921515549  0.3732350353486750  0.0095131709788129
  0.1089591715990438  0.2378067016515711  0.0147117830611418
  0.1901645531070605  0.4764489619973735  0.2004431251861234
  0.2676815159632493  0.3475941520230636  0.1932082300206273
  0.2344771003235538  0.2278169616712865  0.1016895750123605
  0.0176473200065252  0.6243192232106068  0.0332647097584668
  0.9298116119827720  0.4288558353015137  0.9084532512689054
  0.3203825823241753  0.0928679410962515  0.1239873518235034
  0.4453262300575118  0.1006180016995483  0.2117025987033916
  0.4639069201395889 -0.0128398830035482  0.3108271841285469
  0.2619265255608055 -0.0478181453121256  0.0982803766951226
  0.3046620765593834  0.8301889250065152  0.1787420686002253
  0.3964144632798337  0.8521071625694896  0.2976072655896963
  0.4172243217637550  0.7681781215251223  0.4351063903405020
  0.4687958966027244  0.0124741331601205  0.4700423041416755
  0.5394821049796027  0.8476023622596559  0.6773516171944159
  0.5921583649812023  0.9581503501056320  0.7716279206090690
  0.6370032558454726  0.9321955963836891  0.9137902374132437
  0.5556812501633214  0.7082077900103271  0.7328180001876800
  0.6277898674684005  0.6790766007722336  0.8628071812024720
  0.6557001579747073  0.7903257434305124  0.9621104773949727
  0.7677271980851640  0.8408252632946422  0.1934648542663664
  0.7527866293294492  0.8151319991814744  0.3425419887221822
  0.8518943071454308  0.8710167309483734  0.4429011599594494
  0.8722519567311018  0.9375519951783896  0.1431162265958892
  0.9741541641931896  0.9872434019438217  0.2419148704223339
  0.9703991887469823  0.9495589940046415  0.3897762323893386
  0.4433745383373293  0.2706814253481075  0.3872147809731969
  0.3061876432083210  0.0496218261441517  0.8723016032910935
  0.5102501358157705  0.2175433049660122  0.8362594798306451
  0.8027894306922277  0.1352078399892561  0.6294963033155947
  0.5324669673199545  0.5085216454010312  0.5519846995209950
  0.7513721745103366  0.6730516551213167  0.5518811565083150
  0.4309429698113308  0.3228913887517390 -0.0187571703284307
  0.3212214107077568  0.3493534406567642  0.5130395932479804
  0.1703120180632923  0.6911022885280197  0.7145958339406436
  0.3177141827013864  0.7691809214934405  0.9227364324157015
  0.7796058825606679  0.1829978886897130  0.9864423909151346
  0.6171388861804310  0.3692949910817700  0.9048114094408010
  0.5860972685682559  0.5494298306106985  0.3336820741426265
  0.7964841783972341  0.3835381470124083  0.3973534985507153
  0.0723588631798530  0.1490018119792080 -0.0554121698282544
  0.2214497843872541  0.5604166831397066  0.2786550199848079
  0.3630958392686960  0.3432677594129118  0.2609517517258502
  0.5071889710463665  0.2010671294964309  0.2240081512605202
  0.1718379221701578 -0.0619677492835318  0.0219324467334438
  0.2519213290960127  0.7267305885592650  0.1594135149928349
  0.6564120006865309  0.0243214709205156 -0.0143497123092757
  0.6050209599455072  0.0688729402439717  0.7391556477336156
  0.5051219437595131  0.6188224569128056  0.6765994381883074
  0.6478000090107402  0.5664777192419648  0.8922349016486680
  0.8440318807522047  0.8497443531063589  0.5594437093688071
  0.6666439904816086  0.7417327001298339  0.3759141331907746
  0.8848926536501864  0.9621383391581887  0.0274835874128103
  0.0611303095656351  0.0552326585691012  0.2008890122021957
  0.8714720358822678  0.1883985467970265  0.2477635896003047
  0.8681770362834477  0.6482781269970159  0.8576464694907592
  0.0941436029620986  0.9865610373204783  0.4731083177920939
  0.1391422517110339  0.4356103978243322  0.6053059974849407
  0.9337464062094958  0.5797561045123402  0.9164903675863133
  0.4702737612712057  0.8687165131300768  0.5389642639262273
  0.1210685543403710  0.2132086259637526  0.3684312533224848
  0.0621184675926747  0.8851647331619102  0.7075190816168367
  0.0848645706360900  0.2133867976205950  0.7179137639212351
  0.0883679143965565  0.6608642398511042  0.4881418806140764
  0.4690221725799932  0.5678521876615504  0.0905435330398483
  0.8426644372501455  0.3618243066017343  0.8335293806128786
  0.0421274457522554  0.7517799901939193  0.0639060814292432
  0.5757957744996294  0.0973429118957574  0.5310002354442562
  0.3950120005106029  0.6364184133522646  0.4538334979499318
  0.6881963843845027  0.7519243484685212  0.1027904154698328
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00