quack/examples/molecule.CO

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# nAt nEla nElb nCore nRyd
  2   7     7   0     0
# Znuc   x            y           z
  C      0.           0.          0.000
  O.     0.           0.          2.132
clean up 2020-01-17 13:45:02 +01:00			`# nAt nEla nElb nCore nRyd`
			`2 7 7 0 0`
removing examples 2019-03-19 10:18:03 +01:00			`# Znuc x y z`
clean up 2020-01-17 13:45:02 +01:00			`C 0. 0. 0.000`
			`O. 0. 0. 2.132`