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
  0.2584616893921172  0.0315847878603984  0.6435723496905176
  0.3115572349880341  0.1027165390144202  0.5055613948646647
  0.3798609839891084  0.2544292765416851  0.5060193983598787
  0.3198224637913354  0.0775228829173468  0.7667216176191429
  0.4159216932069323  0.2087552147925272  0.7581111468675704
  0.5012492184417282  0.2266409418924792  0.6102300044756789
  0.1247311979690903  0.9448689446626282  0.6159135954843952
  0.1668594828091773  0.1043859435583049  0.4299845849336479
  0.6378162469797958  0.3159266412554005  0.6077589680977468
  0.7734256377346667  0.2470646966034886  0.6282079329566906
  0.8953268966223247  0.3300601732139105  0.6012725672641688
  0.6323474007801093  0.4577921939591940  0.5597807677624000
  0.7572520859327431  0.5445274035000987  0.5447704654203528
  0.8901274483641896  0.4772415718199206  0.5602039786784330
  0.0400861689735791  0.5331791986025304  0.5522421600294432
  0.0394815650638568  0.3034207062149980  0.6598225369013299
  0.2440302008066716  0.4614403179830817  0.7216826419443608
  0.3341358450031309  0.3543628198903142  0.7899013742197386
  0.3821945245712601  0.3985423078833758  0.9242954672665640
  0.2468165628858935  0.6058904452065771  0.7726356003272025
  0.3313187917245701  0.6501978356672296  0.8902900930563765
  0.3963897201413979  0.5396224511948607  0.9706280482898393
  0.5909449318728716  0.4520024146205068  0.1144333601579746
  0.6415381048451113  0.3466276917379947  0.0155286225141620
  0.7395396132940484  0.2390404951547344  0.0584612824798430
  0.6530826548579010  0.4580037072820049  0.2513161750994089
  0.7571123656080613  0.3553189274910592  0.2894993372790816
  0.7965581603169152  0.2429455986817694  0.1978259705416102
  0.0885080515474383  0.5301608375769233  0.0975228781950817
  0.0419086584498122  0.4049477734816276  0.0240219010124764
  0.1067850761439758  0.2691670120313490  0.0413093793287593
  0.1918610474470409  0.5173949288849484  0.2068090749064513
  0.2658173921332437  0.3858496033598680  0.2147618644806246
  0.2332152804621014  0.2621712612499951  0.1277994438556468
  0.0367298981923411  0.6573757219517318  0.0130230628447233
  0.9332851977961877  0.4539793277869090  0.9169894739675764
  0.3217723945928730  0.1268351920270977  0.1415488189953593
  0.4488272605257169  0.1264202876533522  0.2261007820676057
  0.4679844155280743  0.0025940136038663  0.3133935616832705
  0.2684002915638781 -0.0129678511822564  0.1015544074655531
  0.3160326589739407  0.8571168673075464  0.1648346153897450
  0.4057453223694530  0.8675205557039767  0.2868759413873160
  0.4221470982338585  0.7737498904597985  0.4196109781261234
  0.4639571728249268  0.0145305922841160  0.4735690527000747
  0.5361096804449323  0.8398259554498264  0.6706834788848981
  0.5813939891127985  0.9467139228706080  0.7724710236809514
  0.6311379470786376  0.9147049598256297  0.9116217653904511
  0.5588647352699696  0.6983544062876237  0.7177885190365979
  0.6343790379528990  0.6645921375034672  0.8452665102988919
  0.6612350913536724  0.7719379021039561  0.9494648861764994
  0.7744318403998698  0.8251667818685444  0.1799550903823730
  0.7501259686791638  0.8063354139576669  0.3287365742881452
  0.8438904819545742  0.8640642965266351  0.4334015164921990
  0.8800638435142187  0.9220443528425589  0.1330726146012761
  0.9767743283783162  0.9739266668735171  0.2360363279138432
  0.9658218143462927  0.9397183817447032  0.3840934704142337
  0.4278583059343057  0.2728786119360343  0.3994183845883074
  0.2881287436958634  0.0367454308592073  0.8729950258817443
  0.4940981221086677  0.2006047861653605  0.8478535033275194
  0.7858760573930070  0.1359301797334732  0.6684442264819661
  0.5267406981509178  0.4995588091311675  0.5247063847944508
  0.7488227065696923  0.6582479119548187  0.5170832317166724
  0.4288533926852969  0.3148397521379779 -0.0082530741732166
  0.3044416560540961  0.3426830591126617  0.5272006097215849
  0.1799223819522398  0.6869149149612016  0.7181647079003638
  0.3442884460028657  0.7651829697664301  0.9169402727102471
  0.7802935546161686  0.1630479084866424  0.9764606059802647
  0.6125849400789175  0.3508186618695584  0.9011794060686051
  0.6158804397067850  0.5448178877151848  0.3218798870029098
  0.8132273152863558  0.3589550289496001  0.3917417435661160
  0.0685347128506639  0.1760958562649315 -0.0218124318341859
  0.2257450655637763  0.6055710772934122  0.2782360016084695
  0.3588440884832422  0.3867558438541261  0.2870735984944666
  0.5114619598304959  0.2247954974504993  0.2479857784028209
  0.1772954954436800 -0.0214666193565301  0.0261697329373280
  0.2662569119276497  0.7563145132230460  0.1305188098318695
  0.6477066849350253  0.0033608677570339 -0.0110470323757492
  0.5838437962983841  0.0600590604688962  0.7491794047719887
  0.5102988838251125  0.6108687311135870  0.6569923674184471
  0.6596444371630930  0.5509758780313458  0.8668677880034038
  0.8274636582193803  0.8473358651764274  0.5499682567153179
  0.6582821256387377  0.7383332442732402  0.3585811968412604
  0.8961659236782569  0.9462289452070507  0.0180730763450797
  0.0657215016631093  0.0421156254006380  0.1994102515417087
  0.8773406673928210  0.1665763521190559  0.2369606895163790
  0.8926087408810726  0.6671512761322460  0.8314904855787881
  0.0856226343605253  0.9802958854030559  0.4710415758949010
  0.1276329191404141  0.4257730900120832  0.6263677434939323
  0.9440621660081261  0.6038446718921040  0.9075914903410919
  0.4673887269806797  0.8672723936006461  0.5326091366921861
  0.1080226371985805  0.2120106819827823  0.3762419259683028
  0.0506481169649034  0.8711822142119808  0.7001328544570463
  0.0718855842353966  0.2057243835512851  0.7446340183217923
  0.0857292684852897  0.6454998899263283  0.4969686221673241
  0.4866386400424476  0.5606162540276890  0.0885141407911985
  0.8440579607460084  0.3833525699699883  0.8479576504819253
  0.0755187971027898  0.7848838490788104  0.0163473932768060
  0.5665805076335612  0.0976373042070862  0.5425257286158448
  0.4013098106098430  0.6408586973575767  0.4295921338543289
  0.7033535502249079  0.7311348163518259  0.0870695297294242
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00