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Better radical and valence support in V3000.
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11 changes: 11 additions & 0 deletions
11
storage/io/src/test/resources/org/openscience/cdk/io/CH3.mol
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Original file line number | Diff line number | Diff line change |
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@@ -0,0 +1,11 @@ | ||
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0 0 0 0 0 999 V3000 | ||
M V30 BEGIN CTAB | ||
M V30 COUNTS 1 0 0 0 0 | ||
M V30 BEGIN ATOM | ||
M V30 1 C 1.8704 8.5741 0 0 RAD=2 VAL=3 | ||
M V30 END ATOM | ||
M V30 END CTAB | ||
M END |