Sc  H  C  O                             
   1.00000000000000     
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     7.0079957659999996   12.2727830840000003    0.0000000000000000
     0.0323462900000000   -0.0239266530000000   18.0986552789999990
   Sc   H    C    O 
     6    30    49    29
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