@Test
public void testClenbuterol() throws Exception {

    SmilesParser sp = new SmilesParser(DefaultChemObjectBuilder.getInstance());
    IAtomContainer mol = sp.parseSmiles("Clc1cc(cc(Cl)c1N)C(O)CNC(C)(C)C");
    AtomContainerManipulator.percieveAtomTypesAndConfigureAtoms(mol);
    Aromaticity.cdkLegacy().apply(mol);
    DoubleResult result = (DoubleResult) descriptor.calculate(mol).getValue();
    Assert.assertEquals(0.353, result.doubleValue(), 0.01);
}