 C  N Co Ru  O  H                       
   1.00000000000000     
     9.8736660799999996    0.0000000000000000    0.0000000000000000
    -4.9368330399999980    8.5508456537647159    0.0000000000000000
     0.0000000000000006    0.0000000000000011   15.6500000000000004
   C    N    Co   Ru   O    H 
    20     8     1     1     1     1
Direct
  0.0775609784718968  0.1589851348114198  0.4676650685701571
  0.1618942458082159  0.0734547568539600  0.4672628957537810
  0.0782996644232444  0.4100761715458038  0.4693200314581905
  0.1605124021367189  0.3219553399383219  0.4684608084948768
  0.0915903154616953  0.6580998385572576  0.4699368932087634
  0.0884060608094828  0.9092644592475743  0.4678180794860330
  0.1732043705038112  0.8239018830959725  0.4687678305410238
  0.3236949533314090  0.1552135171342279  0.4690062187411502
  0.4113088759276015  0.0702093879257339  0.4705443001749193
  0.3390149435503802  0.9050711316224062  0.4696943165673779
  0.6611081549522714  0.0839704741182656  0.4728290234729768
  0.5872965879138229  0.9188229587484542  0.4714099477866801
  0.6759225641461135  0.8376146451716884  0.4718845174652406
  0.8281645742072612  0.1693312630860856  0.4720582296951094
  0.9132654159988244  0.0847268783954120  0.4694063340137319
  0.9131479259104938  0.3360722852141505  0.4717703397876240
  0.8421711579880407  0.6744029922663313  0.4726290012319552
  0.9264166149283877  0.5861496553863201  0.4718794267936181
  0.8388403045295310  0.9203592389164356  0.4698983865893436
  0.9243899629956113  0.8362809092288170  0.4693182805070855
  0.4274215456891030  0.8286427338515175  0.4717274227647430
  0.1682872242985079  0.5699846174617516  0.4703887184357146
  0.5952651637647849  0.6768267459910966  0.4760065072676005
  0.3211249038225393  0.4024710817656763  0.4716950817486444
  0.6795141828801295  0.5975379158125708  0.4778482100111341
  0.4011444437037602  0.3179906034816928  0.4721769669627057
  0.8392397815265847  0.4259729377485463  0.4746691346889904
  0.5710136009653032  0.1567329294904544  0.4749330114090113
  0.3806399675967825  0.6170512913316334  0.4738564766959428
  0.6196466186655020  0.3763994385795283  0.4900779696186425
  0.6026956501197568  0.3667125559505554  0.6139056345184756
  0.6417212775336996  0.4718363504059194  0.6369057342607543
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
