$coord
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    0.98297400000000     -2.65958000000000      1.72428000000000      h
    0.98297400000000     -2.65958000000000     -1.72428000000000      h
    0.02184520000000      0.30254300000000      0.00000000000000      h
    0.00054802100000      2.57313000000000      0.00000000000000      o
$end
