<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="reaction.xsl" ?>
<document>

<!-- CML document - karne@innocent.com-->
<!-- file converted from: MDL .mol and JCAMP-DX -->
<!-- contains an example of a cyclic reaction -->
<cml title="Alkene Metathesis" id="cml_cycle" xmlns="x-schema:cml_schema_ie_02.xml">
	<reaction title="Mechanism of Cross Metathesis" id="cycle_rxn_1" convention="cycle.4">
		<string title="description">Catalytic cycle</string>
		<string title="notes">from Dr. Braddock's lectures notes</string>
		<!-- ok - since cycles are a pain, lets say - new species = "cycleReactant" and "cycleProduct" - these are the cycling units -  reactant and product should *be* the reactants and products, not the catalytic units.-->
		<list title="reactionStep" id="step_1">
			<link title="cycleReactant" href="mol_1" id="cycle_lk_1"/>
			<link title="reactant" href="mol_3" id="cycle_lk_2"/>
			<link title="cycleProduct" href="mol_7" id="cycle_lk_3"/>
		</list>
		<list title="reactionStep" id="step_2">
			<link title="cycleReactant" href="mol_7" id="cycle_lk_4"/>
			<link title="cycleProduct" href="mol_6" id="cycle_lk_5"/>
			<link title="product" href="mol_8" id="cycle_lk_6"/>
		</list>
		<list title="reactionStep" id="step_3">
			<link title="cycleReactant" href="mol_6" id="cycle_lk_7"/>
			<link title="reactant" href="mol_5" id="cycle_lk_8"/>
			<link title="cycleProduct" href="mol_4" id="cycle_lk_9"/>
		</list>
		<list title="reactionStep" id="step_4">
			<link title="cycleReactant" href="mol_4" id="cycle_lk_10"/>
			<link title="cycleProduct" href="mol_1" id="cycle_lk_11"/>
			<link title="product" href="mol_2" id="cycle_lk_12"/>
		</list>
	</reaction>
	<!-- reactants -->
 	<molecule title="1" id="mol_1">
		<list title="atoms">
			<atom id="1_a_1">
				<integer builtin="atomId">1</integer>
				<float builtin="x3" units="A">4.1042</float>
				<float builtin="y3" units="A">-3.3667</float>
				<float builtin="z3" units="A">0.0000</float>
				<string builtin="elementType">Ru</string>
			</atom>
			<atom id="1_a_2">
				<integer builtin="atomId">2</integer>
				<float builtin="x3" units="A">4.9292</float>
				<float builtin="y3" units="A">-3.3667</float>
				<float builtin="z3" units="A">0.0000</float>
				<string builtin="elementType">C</string>
			</atom>
			<atom id="1_a_3">
				<integer builtin="atomId">3</integer>
				<float builtin="x3" units="A">5.5125</float>
				<float builtin="y3" units="A">-2.7792</float>
				<float builtin="z3" units="A">0.0000</float>
				<string builtin="elementType">C</string>
			</atom>
			<atom id="1_a_4">
				<integer builtin="atomId">4</integer>
				<float builtin="x3" units="A">6.3133</float>
				<float builtin="y3" units="A">-2.9936</float>
				<float builtin="z3" units="A">0.0000</float>
				<string builtin="elementType">C</string>
			</atom>
			<atom id="1_a_5">
				<integer builtin="atomId">5</integer>
				<float builtin="x3" units="A">6.8963</float>
				<float builtin="y3" units="A">-2.4069</float>
				<float builtin="z3" units="A">0.0000</float>
				<string builtin="elementType">C</string>
			</atom>
			<atom id="1_a_6">
				<integer builtin="atomId">6</integer>
				<float builtin="x3" units="A">6.6794</float>
				<float builtin="y3" units="A">-1.6070</float>
				<float builtin="z3" units="A">0.0000</float>
				<string builtin="elementType">C</string>
			</atom>
			<atom id="1_a_7">
				<integer builtin="atomId">7</integer>
				<float builtin="x3" units="A">5.8741</float>
				<float builtin="y3" units="A">-1.3970</float>
				<float builtin="z3" units="A">0.0000</float>
				<string builtin="elementType">C</string>
			</atom>
			<atom id="1_a_8">
				<integer builtin="atomId">8</integer>
				<float builtin="x3" units="A">5.2946</float>
				<float builtin="y3" units="A">-1.9852</float>
				<float builtin="z3" units="A">0.0000</float>
				<string builtin="elementType">C</string>
			</atom>
		</list>
		<list title="bonds">
			<bond id="1_b_1">
				<integer title="bondId">1</integer>
				<integer builtin="atomRef">4</integer>
				<integer builtin="atomRef">5</integer>
				<integer builtin="order" convention="MDL">1</integer>
			</bond>
			<bond id="1_b_2">
				<integer title="bondId">2</integer>
				<integer builtin="atomRef">2</integer>
				<integer builtin="atomRef">3</integer>
				<integer builtin="order" convention="MDL">1</integer>
			</bond>
			<bond id="1_b_3">
				<integer title="bondId">3</integer>
				<integer builtin="atomRef">5</integer>
				<integer builtin="atomRef">6</integer>
				<integer builtin="order" convention="MDL">2</integer>
			</bond>
			<bond id="1_b_4">
				<integer title="bondId">4</integer>
				<integer builtin="atomRef">1</integer>
				<integer builtin="atomRef">2</integer>
				<integer builtin="order" convention="MDL">2</integer>
			</bond>
			<bond id="1_b_5">
				<integer title="bondId">5</integer>
				<integer builtin="atomRef">6</integer>
				<integer builtin="atomRef">7</integer>
				<integer builtin="order" convention="MDL">1</integer>
			</bond>
			<bond id="1_b_6">
				<integer title="bondId">6</integer>
				<integer builtin="atomRef">3</integer>
				<integer builtin="atomRef">4</integer>
				<integer builtin="order" convention="MDL">2</integer>
			</bond>
			<bond id="1_b_7">
				<integer title="bondId">7</integer>
				<integer builtin="atomRef">7</integer>
				<integer builtin="atomRef">8</integer>
				<integer builtin="order" convention="MDL">2</integer>
			</bond>
			<bond id="1_b_8">
				<integer title="bondId">8</integer>
				<integer builtin="atomRef">8</integer>
				<integer builtin="atomRef">3</integer>
				<integer builtin="order" convention="MDL">1</integer>
			</bond>
		</list>
	</molecule>
	<molecule title="2" id="mol_2">
		<list title="atoms">
			<atom id="2_a_1">
				<integer builtin="atomId">1</integer>
				<float builtin="x3" units="A">2.8375</float>
				<float builtin="y3" units="A">-1.6542</float>
				<float builtin="z3" units="A">0.0000</float>
				<string builtin="elementType">C</string>
			</atom>
			<atom id="2_a_2">
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				<float builtin="x3" units="A">3.6625</float>
				<float builtin="y3" units="A">-1.6542</float>
				<float builtin="z3" units="A">0.0000</float>
				<string builtin="elementType">C</string>
			</atom>
		</list>
		<list title="bonds">
			<bond id="2_b_1">
				<integer title="bondId">1</integer>
				<integer builtin="atomRef">1</integer>
				<integer builtin="atomRef">2</integer>
				<integer builtin="order" convention="MDL">2</integer>
			</bond>
		</list>
	</molecule>
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		<list title="atoms">
			<atom id="3_a_1">
				<integer builtin="atomId">1</integer>
				<float builtin="x3" units="A">4.0833</float>
				<float builtin="y3" units="A">-8.6625</float>
				<float builtin="z3" units="A">0.0000</float>
				<string builtin="elementType">C</string>
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				<float builtin="x3" units="A">4.9083</float>
				<float builtin="y3" units="A">-8.6625</float>
				<float builtin="z3" units="A">0.0000</float>
				<string builtin="elementType">C</string>
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				<float builtin="x3" units="A">3.4958</float>
				<float builtin="y3" units="A">-9.2458</float>
				<float builtin="z3" units="A">0.0000</float>
				<string builtin="elementType">C</string>
			</atom>
		</list>
		<list title="bonds">
			<bond id="3_b_1">
				<integer title="bondId">1</integer>
				<integer builtin="atomRef">1</integer>
				<integer builtin="atomRef">2</integer>
				<integer builtin="order" convention="MDL">2</integer>
			</bond>
			<bond id="3_b_2">
				<integer title="bondId">2</integer>
				<integer builtin="atomRef">1</integer>
				<integer builtin="atomRef">3</integer>
				<integer builtin="order" convention="MDL">1</integer>
			</bond>
		</list>
	</molecule>
	<molecule title="4" id="mol_4">
		<list title="atoms">
			<atom id="4_a_1">
				<integer builtin="atomId">1</integer>
				<float builtin="x3" units="A">5.8328</float>
				<float builtin="y3" units="A">-7.1682</float>
				<float builtin="z3" units="A">0.0000</float>
				<string builtin="elementType">C</string>
			</atom>
			<atom id="4_a_2">
				<integer builtin="atomId">2</integer>
				<float builtin="x3" units="A">5.0348</float>
				<float builtin="y3" units="A">-6.9509</float>
				<float builtin="z3" units="A">0.0000</float>
				<string builtin="elementType">C</string>
			</atom>
			<atom id="4_a_3">
				<integer builtin="atomId">3</integer>
				<float builtin="x3" units="A">4.4497</float>
				<float builtin="y3" units="A">-7.5327</float>
				<float builtin="z3" units="A">0.0000</float>
				<string builtin="elementType">C</string>
			</atom>
			<atom id="4_a_4">
				<integer builtin="atomId">4</integer>
				<float builtin="x3" units="A">4.6613</float>
				<float builtin="y3" units="A">-8.3319</float>
				<float builtin="z3" units="A">0.0000</float>
				<string builtin="elementType">C</string>
			</atom>
			<atom id="4_a_5">
				<integer builtin="atomId">5</integer>
				<float builtin="x3" units="A">5.4634</float>
				<float builtin="y3" units="A">-8.5462</float>
				<float builtin="z3" units="A">0.0000</float>
				<string builtin="elementType">C</string>
			</atom>
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				<float builtin="x3" units="A">6.0450</float>
				<float builtin="y3" units="A">-7.9629</float>
				<float builtin="z3" units="A">0.0000</float>
				<string builtin="elementType">C</string>
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				<float builtin="x3" units="A">7.2496</float>
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				<string builtin="elementType">C</string>
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				<float builtin="x3" units="A">6.4246</float>
				<float builtin="y3" units="A">-5.7587</float>
				<float builtin="z3" units="A">0.0000</float>
				<string builtin="elementType">C</string>
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				<float builtin="x3" units="A">6.4246</float>
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		<list title="bonds">
			<bond id="4_b_1">
				<integer title="bondId">1</integer>
				<integer builtin="atomRef">2</integer>
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				<integer builtin="atomRef">5</integer>
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				<integer title="bondId">3</integer>
				<integer builtin="atomRef">6</integer>
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				<integer builtin="order" convention="MDL">1</integer>
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				<integer builtin="order" convention="MDL">1</integer>
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				<integer builtin="atomRef">3</integer>
				<integer builtin="atomRef">4</integer>
				<integer builtin="order" convention="MDL">2</integer>
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				<integer builtin="order" convention="MDL">2</integer>
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</document>