File: hydrogen.mop

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*
*   -32.011
*
 GEO-OK PM7
Hydrogen
 H=0.0 I=15.4 IR=LLNBS82 HR=ELEMENT HWT=0.5
  H     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  H     0.75954479 +1    0.0000000 +0    0.0000000 +0     1     0     0