@Test
public void testLOBDescriptorCholesterol() throws Exception {

    String filename = "data/mdl/lobtest.sdf";
    InputStream ins = this.getClass().getClassLoader().getResourceAsStream(filename);
    ISimpleChemObjectReader reader = new MDLV2000Reader(ins);
    ChemFile content = (ChemFile) reader.read(new ChemFile());
    List cList = ChemFileManipulator.getAllAtomContainers(content);
    IAtomContainer ac = (IAtomContainer) cList.get(0);
    Isotopes.getInstance().configureAtoms(ac);
    DoubleArrayResult result = (DoubleArrayResult) descriptor.calculate(ac).getValue();
    Assert.assertEquals(3.5029, result.get(0), 0.001);
    Assert.assertEquals(3.5029, result.get(1), 0.001);
}