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X coordinates should also be formatted using the same format
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storage/ctab/src/main/java/org/openscience/cdk/io/MDLV3000Writer.java

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -627,8 +627,8 @@ else if (o2.getParents().contains(o1))
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final Point2d p1 = bracket.getFirstPoint();
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final Point2d p2 = bracket.getSecondPoint();
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writer.write("9");
630-
writer.write(' ').write(p1.x).write(' ').write(DECIMAL_FORMAT.format(p1.y)).write(" 0");
631-
writer.write(' ').write(p2.x).write(' ').write(DECIMAL_FORMAT.format(p2.y)).write(" 0");
630+
writer.write(' ').write(DECIMAL_FORMAT.format(p1.x)).write(' ').write(DECIMAL_FORMAT.format(p1.y)).write(" 0");
631+
writer.write(' ').write(DECIMAL_FORMAT.format(p2.x)).write(' ').write(DECIMAL_FORMAT.format(p2.y)).write(" 0");
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writer.write(" 0 0 0");
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writer.write(")");
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}

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