File: radical_value.mrv.expected.sdf

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     RDKit          2D

  0  0  0  0  0  0  0  0  0  0999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 3 2 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Cl 2.310000 -1.333679 0.000000 0
M  V30 2 C 3.643679 -2.103679 0.000000 0 RAD=3 VAL=2
M  V30 3 Cl 4.977358 -1.333679 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 END BOND
M  V30 END CTAB
M  END