<?xml version="1.0"?>
<!DOCTYPE molecule SYSTEM "cml1_0_1.dtd">
<!--Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved.-->
<!-- type="3D"   <date day="5" month="2" year="2010"/>-->
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	<molecule title="Cortisone" id="mol_cortisone_karne">
	<formula>C21 H28 O5</formula>
		<string title="CAS">53-06-5</string>
		<float title="molecular weight">360.44</float>
		<atomArray>
			<atom id="cortisone_karne_a_1">
				<float builtin="x2" units="A">5.1880</float>
				<float builtin="y2" units="A">4.0906</float>
				<float builtin="z3" units="A">0.0000</float>
				<string builtin="elementType">C</string>
			</atom>
			<atom id="cortisone_karne_a_2">
				<float builtin="x2" units="A">5.1880</float>
				<float builtin="y2" units="A">2.9931</float>
				<float builtin="z3" units="A">0.0000</float>
				<string builtin="elementType">C</string>
			</atom>
			<atom id="cortisone_karne_a_3">
				<float builtin="x2" units="A">5.1880</float>
				<float builtin="y2" units="A">1.9954</float>
				<float builtin="z3" units="A">0.0000</float>
				<string builtin="elementType">C</string>
			</atom>
			<atom id="cortisone_karne_a_4">
				<float builtin="x2" units="A">6.1358</float>
				<float builtin="y2" units="A">3.2924</float>
				<float builtin="z3" units="A">0.0000</float>
				<string builtin="elementType">C</string>
			</atom>
			<atom id="cortisone_karne_a_5">
				<float builtin="x2" units="A">4.3400</float>
				<float builtin="y2" units="A">3.4919</float>
				<float builtin="z3" units="A">0.0000</float>
				<string builtin="elementType">C</string>
			</atom>
			<atom id="cortisone_karne_a_6">
				<float builtin="x2" units="A">4.3400</float>
				<float builtin="y2" units="A">1.4965</float>
				<float builtin="z3" units="A">0.0000</float>
				<string builtin="elementType">C</string>
			</atom>
			<atom id="cortisone_karne_a_7">
				<float builtin="x2" units="A">6.1358</float>
				<float builtin="y2" units="A">1.6961</float>
				<float builtin="z3" units="A">0.0000</float>
				<string builtin="elementType">C</string>
			</atom>
			<atom id="cortisone_karne_a_8">
				<float builtin="x2" units="A">6.9340</float>
				<float builtin="y2" units="A">3.8910</float>
				<float builtin="z3" units="A">0.0000</float>
				<string builtin="elementType">C</string>
			</atom>
			<atom id="cortisone_karne_a_9">
				<float builtin="x2" units="A">6.1358</float>
				<float builtin="y2" units="A">4.2402</float>
				<float builtin="z3" units="A">0.0000</float>
				<string builtin="elementType">O</string>
			</atom>
			<atom id="cortisone_karne_a_10">
				<float builtin="x2" units="A">6.7345</float>
				<float builtin="y2" units="A">2.4942</float>
				<float builtin="z3" units="A">0.0000</float>
				<string builtin="elementType">C</string>
			</atom>
			<atom id="cortisone_karne_a_11">
				<float builtin="x2" units="A">3.4421</float>
				<float builtin="y2" units="A">2.9931</float>
				<float builtin="z3" units="A">0.0000</float>
				<string builtin="elementType">C</string>
			</atom>
			<atom id="cortisone_karne_a_12">
				<float builtin="x2" units="A">3.4421</float>
				<float builtin="y2" units="A">1.9954</float>
				<float builtin="z3" units="A">0.0000</float>
				<string builtin="elementType">C</string>
			</atom>
			<atom id="cortisone_karne_a_13">
				<float builtin="x2" units="A">4.3400</float>
				<float builtin="y2" units="A">0.4988</float>
				<float builtin="z3" units="A">0.0000</float>
				<string builtin="elementType">C</string>
			</atom>
			<atom id="cortisone_karne_a_14">
				<float builtin="x2" units="A">7.8818</float>
				<float builtin="y2" units="A">3.4919</float>
				<float builtin="z3" units="A">0.0000</float>
				<string builtin="elementType">C</string>
			</atom>
			<atom id="cortisone_karne_a_15">
				<float builtin="x2" units="A">6.9340</float>
				<float builtin="y2" units="A">4.8887</float>
				<float builtin="z3" units="A">0.0000</float>
				<string builtin="elementType">O</string>
			</atom>
			<atom id="cortisone_karne_a_16">
				<float builtin="x2" units="A">2.5940</float>
				<float builtin="y2" units="A">3.4919</float>
				<float builtin="z3" units="A">0.0000</float>
				<string builtin="elementType">O</string>
			</atom>
			<atom id="cortisone_karne_a_17">
				<float builtin="x2" units="A">2.5940</float>
				<float builtin="y2" units="A">1.4965</float>
				<float builtin="z3" units="A">0.0000</float>
				<string builtin="elementType">C</string>
			</atom>
			<atom id="cortisone_karne_a_18">
				<float builtin="x2" units="A">3.4421</float>
				<float builtin="y2" units="A">0.0000</float>
				<float builtin="z3" units="A">0.0000</float>
				<string builtin="elementType">C</string>
			</atom>
			<atom id="cortisone_karne_a_19">
				<float builtin="x2" units="A">8.6800</float>
				<float builtin="y2" units="A">4.0906</float>
				<float builtin="z3" units="A">0.0000</float>
				<string builtin="elementType">O</string>
			</atom>
			<atom id="cortisone_karne_a_20">
				<float builtin="x2" units="A">2.5940</float>
				<float builtin="y2" units="A">2.4942</float>
				<float builtin="z3" units="A">0.0000</float>
				<string builtin="elementType">C</string>
			</atom>
			<atom id="cortisone_karne_a_21">
				<float builtin="x2" units="A">2.5940</float>
				<float builtin="y2" units="A">0.4988</float>
				<float builtin="z3" units="A">0.0000</float>
				<string builtin="elementType">C</string>
			</atom>
			<atom id="cortisone_karne_a_22">
				<float builtin="x2" units="A">1.7460</float>
				<float builtin="y2" units="A">1.9954</float>
				<float builtin="z3" units="A">0.0000</float>
				<string builtin="elementType">C</string>
			</atom>
			<atom id="cortisone_karne_a_23">
				<float builtin="x2" units="A">1.7460</float>
				<float builtin="y2" units="A">0.0000</float>
				<float builtin="z3" units="A">0.0000</float>
				<string builtin="elementType">C</string>
			</atom>
			<atom id="cortisone_karne_a_24">
				<float builtin="x2" units="A">0.8979</float>
				<float builtin="y2" units="A">1.4965</float>
				<float builtin="z3" units="A">0.0000</float>
				<string builtin="elementType">C</string>
			</atom>
			<atom id="cortisone_karne_a_25">
				<float builtin="x2" units="A">0.8979</float>
				<float builtin="y2" units="A">0.4988</float>
				<float builtin="z3" units="A">0.0000</float>
				<string builtin="elementType">C</string>
			</atom>
			<atom id="cortisone_karne_a_26">
				<float builtin="x2" units="A">0.0000</float>
				<float builtin="y2" units="A">0.0000</float>
				<float builtin="z3" units="A">0.0000</float>
				<string builtin="elementType">O</string>
			</atom>
		</atomArray>
		<bondArray>
			<bond id="cortisone_karne_b_1">
				<string builtin="atomRef">cortisone_karne_a_1</string>
				<string builtin="atomRef">cortisone_karne_a_2</string>
				<string builtin="order" convention="MDL">1</string>
			</bond>
			<bond id="cortisone_karne_b_2">
				<string builtin="atomRef">cortisone_karne_a_2</string>
				<string builtin="atomRef">cortisone_karne_a_3</string>
				<string builtin="order" convention="MDL">1</string>
			</bond>
			<bond id="cortisone_karne_b_3">
				<string builtin="atomRef">cortisone_karne_a_2</string>
				<string builtin="atomRef">cortisone_karne_a_4</string>
				<string builtin="order" convention="MDL">1</string>
			</bond>
			<bond id="cortisone_karne_b_4">
				<string builtin="atomRef">cortisone_karne_a_5</string>
				<string builtin="atomRef">cortisone_karne_a_2</string>
				<string builtin="order" convention="MDL">1</string>
			</bond>
			<bond id="cortisone_karne_b_5">
				<string builtin="atomRef">cortisone_karne_a_3</string>
				<string builtin="atomRef">cortisone_karne_a_6</string>
				<string builtin="order" convention="MDL">1</string>
			</bond>
			<bond id="cortisone_karne_b_6">
				<string builtin="atomRef">cortisone_karne_a_7</string>
				<string builtin="atomRef">cortisone_karne_a_3</string>
				<string builtin="order" convention="MDL">1</string>
			</bond>
			<bond id="cortisone_karne_b_7">
				<string builtin="atomRef">cortisone_karne_a_8</string>
				<string builtin="atomRef">cortisone_karne_a_4</string>
				<string builtin="order" convention="MDL">1</string>
			</bond>
			<bond id="cortisone_karne_b_8">
				<string builtin="atomRef">cortisone_karne_a_9</string>
				<string builtin="atomRef">cortisone_karne_a_4</string>
				<string builtin="order" convention="MDL">1</string>
			</bond>
			<bond id="cortisone_karne_b_9">
				<string builtin="atomRef">cortisone_karne_a_4</string>
				<string builtin="atomRef">cortisone_karne_a_10</string>
				<string builtin="order" convention="MDL">1</string>
			</bond>
			<bond id="cortisone_karne_b_10">
				<string builtin="atomRef">cortisone_karne_a_10</string>
				<string builtin="atomRef">cortisone_karne_a_7</string>
				<string builtin="order" convention="MDL">1</string>
			</bond>
			<bond id="cortisone_karne_b_11">
				<string builtin="atomRef">cortisone_karne_a_11</string>
				<string builtin="atomRef">cortisone_karne_a_5</string>
				<string builtin="order" convention="MDL">1</string>
			</bond>
			<bond id="cortisone_karne_b_12">
				<string builtin="atomRef">cortisone_karne_a_12</string>
				<string builtin="atomRef">cortisone_karne_a_6</string>
				<string builtin="order" convention="MDL">1</string>
			</bond>
			<bond id="cortisone_karne_b_13">
				<string builtin="atomRef">cortisone_karne_a_12</string>
				<string builtin="atomRef">cortisone_karne_a_11</string>
				<string builtin="order" convention="MDL">1</string>
			</bond>
			<bond id="cortisone_karne_b_14">
				<string builtin="atomRef">cortisone_karne_a_6</string>
				<string builtin="atomRef">cortisone_karne_a_13</string>
				<string builtin="order" convention="MDL">1</string>
			</bond>
			<bond id="cortisone_karne_b_15">
				<string builtin="atomRef">cortisone_karne_a_8</string>
				<string builtin="atomRef">cortisone_karne_a_14</string>
				<string builtin="order" convention="MDL">1</string>
			</bond>
			<bond id="cortisone_karne_b_16">
				<string builtin="atomRef">cortisone_karne_a_15</string>
				<string builtin="atomRef">cortisone_karne_a_8</string>
				<string builtin="order" convention="MDL">2</string>
			</bond>
			<bond id="cortisone_karne_b_17">
				<string builtin="atomRef">cortisone_karne_a_16</string>
				<string builtin="atomRef">cortisone_karne_a_11</string>
				<string builtin="order" convention="MDL">2</string>
			</bond>
			<bond id="cortisone_karne_b_18">
				<string builtin="atomRef">cortisone_karne_a_17</string>
				<string builtin="atomRef">cortisone_karne_a_12</string>
				<string builtin="order" convention="MDL">1</string>
			</bond>
			<bond id="cortisone_karne_b_19">
				<string builtin="atomRef">cortisone_karne_a_13</string>
				<string builtin="atomRef">cortisone_karne_a_18</string>
				<string builtin="order" convention="MDL">1</string>
			</bond>
			<bond id="cortisone_karne_b_20">
				<string builtin="atomRef">cortisone_karne_a_19</string>
				<string builtin="atomRef">cortisone_karne_a_14</string>
				<string builtin="order" convention="MDL">1</string>
			</bond>
			<bond id="cortisone_karne_b_21">
				<string builtin="atomRef">cortisone_karne_a_20</string>
				<string builtin="atomRef">cortisone_karne_a_17</string>
				<string builtin="order" convention="MDL">1</string>
			</bond>
			<bond id="cortisone_karne_b_22">
				<string builtin="atomRef">cortisone_karne_a_17</string>
				<string builtin="atomRef">cortisone_karne_a_21</string>
				<string builtin="order" convention="MDL">1</string>
			</bond>
			<bond id="cortisone_karne_b_23">
				<string builtin="atomRef">cortisone_karne_a_18</string>
				<string builtin="atomRef">cortisone_karne_a_21</string>
				<string builtin="order" convention="MDL">1</string>
			</bond>
			<bond id="cortisone_karne_b_24">
				<string builtin="atomRef">cortisone_karne_a_22</string>
				<string builtin="atomRef">cortisone_karne_a_17</string>
				<string builtin="order" convention="MDL">1</string>
			</bond>
			<bond id="cortisone_karne_b_25">
				<string builtin="atomRef">cortisone_karne_a_21</string>
				<string builtin="atomRef">cortisone_karne_a_23</string>
				<string builtin="order" convention="MDL">2</string>
			</bond>
			<bond id="cortisone_karne_b_26">
				<string builtin="atomRef">cortisone_karne_a_24</string>
				<string builtin="atomRef">cortisone_karne_a_22</string>
				<string builtin="order" convention="MDL">1</string>
			</bond>
			<bond id="cortisone_karne_b_27">
				<string builtin="atomRef">cortisone_karne_a_23</string>
				<string builtin="atomRef">cortisone_karne_a_25</string>
				<string builtin="order" convention="MDL">1</string>
			</bond>
			<bond id="cortisone_karne_b_28">
				<string builtin="atomRef">cortisone_karne_a_25</string>
				<string builtin="atomRef">cortisone_karne_a_24</string>
				<string builtin="order" convention="MDL">1</string>
			</bond>
			<bond id="cortisone_karne_b_29">
				<string builtin="atomRef">cortisone_karne_a_25</string>
				<string builtin="atomRef">cortisone_karne_a_26</string>
				<string builtin="order" convention="MDL">2</string>
			</bond>
		</bondArray>
	</molecule>
