@Test
public void testCycloOctan() throws Exception {

    String filename = "data/mdl/cyclooctan.mol";
    InputStream ins = this.getClass().getClassLoader().getResourceAsStream(filename);
    MDLV2000Reader reader = new MDLV2000Reader(ins, Mode.STRICT);
    IAtomContainer mol1 = reader.read(new AtomContainer());
    SmilesGenerator sg = new SmilesGenerator();
    String moleculeSmile = sg.create(mol1);
    Assert.assertEquals("C\\1=C\\CCCCCC1", moleculeSmile);
}