@Test
public void testDan81() throws Exception {

    IAtomContainer mol = new AtomContainer();
    IAtom a1 = mol.getBuilder().newInstance(IAtom.class, "C");
    a1.setPoint2d(new Point2d(0.0, 1.5));
    mol.addAtom(a1);
    IAtom a2 = mol.getBuilder().newInstance(IAtom.class, "C");
    a2.setPoint2d(new Point2d(0.0, 0.0));
    mol.addAtom(a2);
    IAtom a3 = mol.getBuilder().newInstance(IAtom.class, "C");
    a3.setPoint2d(new Point2d(-1.4265847744427305, -0.46352549156242084));
    mol.addAtom(a3);
    IAtom a4 = mol.getBuilder().newInstance(IAtom.class, "C");
    a4.setPoint2d(new Point2d(-2.3082626528814396, 0.7500000000000002));
    mol.addAtom(a4);
    IAtom a5 = mol.getBuilder().newInstance(IAtom.class, "S");
    a5.setPoint2d(new Point2d(-1.42658477444273, 1.9635254915624212));
    mol.addAtom(a5);
    IBond b1 = mol.getBuilder().newInstance(IBond.class, a2, a1, IBond.Order.DOUBLE);
    mol.addBond(b1);
    IBond b2 = mol.getBuilder().newInstance(IBond.class, a3, a2, IBond.Order.SINGLE);
    mol.addBond(b2);
    IBond b3 = mol.getBuilder().newInstance(IBond.class, a4, a3, IBond.Order.DOUBLE);
    mol.addBond(b3);
    IBond b4 = mol.getBuilder().newInstance(IBond.class, a5, a4, IBond.Order.SINGLE);
    mol.addBond(b4);
    IBond b5 = mol.getBuilder().newInstance(IBond.class, a5, a1, IBond.Order.SINGLE);
    mol.addBond(b5);
    DoubleArrayResult ret = (DoubleArrayResult) descriptor.calculate(mol).getValue();
    Assert.assertEquals(3.5355, ret.get(0), 0.0001);
    Assert.assertEquals(2.5000, ret.get(1), 0.0001);
    Assert.assertEquals(1.7678, ret.get(2), 0.0001);
    Assert.assertEquals(1.2500, ret.get(3), 0.0001);
    Assert.assertEquals(3.5341, ret.get(8), 0.0001);
    Assert.assertEquals(2.4142, ret.get(9), 0.0001);
    Assert.assertEquals(1.6096, ret.get(10), 0.0001);
    Assert.assertEquals(1.0539, ret.get(11), 0.0001);
}