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* $Date: 2007-01-04 18:46:10 +0100 (Thu, 04 Jan 2007) $
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* Copyright (C) 2002-2007 The Chemistry Development Kit (CDK) project
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* Contact: cdk-devel@lists.sourceforge.net
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* This program is free software; you can redistribute it and/or
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* modify it under the terms of the GNU Lesser General Public License
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* as published by the Free Software Foundation; either version 2.1
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* of the License, or (at your option) any later version.
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* This program is distributed in the hope that it will be useful,
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* but WITHOUT ANY WARRANTY; without even the implied warranty of
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* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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* GNU Lesser General Public License for more details.
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* You should have received a copy of the GNU Lesser General Public License
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* along with this program; if not, write to the Free Software
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* Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA.
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package org.openscience.cdk.templates.saturatedhydrocarbons;
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import org.openscience.cdk.Atom;
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import org.openscience.cdk.Molecule;
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* This class contains methods for generating simple organic alkanes.
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* @cdk.keyword templates
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public class IsoAlkanes {
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public static Molecule getIsobutane() {
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Molecule mol = new Molecule();
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mol.addAtom(new Atom("C"));
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mol.addAtom(new Atom("C"));
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mol.addAtom(new Atom("C"));
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mol.addAtom(new Atom("C"));
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public static Molecule getIsopentane() {
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Molecule mol = new Molecule();
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mol.addAtom(new Atom("C"));
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mol.addAtom(new Atom("C"));
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mol.addAtom(new Atom("C"));
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mol.addAtom(new Atom("C"));
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mol.addAtom(new Atom("C"));
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public static Molecule getIsohexane() {
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Molecule mol = new Molecule();
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mol.addAtom(new Atom("C"));
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mol.addAtom(new Atom("C"));
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mol.addAtom(new Atom("C"));
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mol.addAtom(new Atom("C"));
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mol.addAtom(new Atom("C"));
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mol.addAtom(new Atom("C"));