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    {
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    {
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        writeNative(new BufferedWriter(new OutputStreamWriter(ostr)),mol);
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        writeNative(new BufferedWriter(new OutputStreamWriter(ostr)),mol);
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    }
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    }
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    public static void writeNative(BufferedWriter out,Molecule mol) throws IOException
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    public static void writeNative(BufferedWriter out,Molecule mol) throws IOException
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    {
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    {
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        DecimalFormat fmt=new DecimalFormat("0.0000");
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        DecimalFormat fmt = new DecimalFormat("0.0000",new DecimalFormatSymbols(Locale.US));
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        out.write("SketchEl!("+mol.numAtoms()+","+mol.numBonds()+")\n");
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        out.write("SketchEl!("+mol.numAtoms()+","+mol.numBonds()+")\n");
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        for (int n=1;n<=mol.numAtoms();n++)
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        for (int n=1;n<=mol.numAtoms();n++)
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        {
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        {
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            String hy=mol.atomHExplicit(n)!=Molecule.HEXPLICIT_UNKNOWN ? ("e"+mol.atomHExplicit(n)) : ("i"+mol.atomHydrogens(n));
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            String hy=mol.atomHExplicit(n)!=Molecule.HEXPLICIT_UNKNOWN ? ("e"+mol.atomHExplicit(n)) : ("i"+mol.atomHydrogens(n));