PMe3                                                                            
   1.0000000000000000     
   28.000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        28.250000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        28.500000000000000     
Ru   C    O    H   
  13    2    2    4
Direct
   0.4599216081757489    0.5122978584936246    0.4683552852336534
   0.4667238598555428    0.5284521438613649    0.5613163748783494
   0.5577553457501182    0.5192625817741000    0.5835153534554011
   0.5280090017474293    0.4632615633475790    0.5220164567287042
   0.6068127513081277    0.5027444252311920    0.5106415276140028
   0.5484122633619974    0.4983785825751920    0.4376375936450398
   0.5972884606904443    0.5760033727274770    0.4505843682309960
   0.5036088980584678    0.5792631673529907    0.4276029261536864
   0.6017733491558503    0.5925680052264108    0.5425603419736165
   0.5320799476195589    0.5513135206343376    0.5054341668870821
   0.5407577620366282    0.6390419775516061    0.4940280243417137
   0.5147429980087650    0.6024969800115652    0.5754925738963663
   0.4550826737560825    0.5953900256568186    0.5038923972375544
   0.4139155902078016    0.3644243110671535    0.4834536223498249
   0.4434569690208447    0.4088159253593839    0.4863430767283505
   0.4827949042796589    0.4066895326006157    0.5094807468179895
   0.4277457254173753    0.4463017401298610    0.4663772305925817
   0.3832931485704463    0.3694118383768838    0.4601162169073421
   0.4011748138361013    0.3552208578107492    0.5187985111528846
   0.4360782034218018    0.3348282443439810    0.4712510513962129
   0.5985717257212085    0.6538333458671131    0.5211021537786467
