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8959 lines
140 KiB
XML
8959 lines
140 KiB
XML
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|
|
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|
|
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|
|
><t
|
|
p="256.33 1180.58"
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BoundingBox="257.43 1170.22 265.66 1180.58"
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|
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p="295.58 1175.40"
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|
|
NodeType="Nickname"
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|
NeedsClean="yes"
|
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|
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|
|
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|
|
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|
|
p="305.98 1157.39"
|
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|
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/><n
|
|
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|
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p="295.58 1175.40"
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|
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/><n
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|
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p="274.78 1175.40"
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NodeType="ExternalConnectionPoint"
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ExternalConnectionNum="1"
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|
|
p="290.76 1180.58"
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|
|
id="34895"
|
|
p="261.11 1216.12"
|
|
Z="1909"
|
|
AS="N"
|
|
/><n
|
|
id="34896"
|
|
p="279.15 1226.53"
|
|
Z="1911"
|
|
NodeType="Fragment"
|
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NeedsClean="yes"
|
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AS="N"
|
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|
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|
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|
|
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|
|
p="279.15 1226.53"
|
|
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|
|
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|
|
NumHydrogens="0"
|
|
NeedsClean="yes"
|
|
><t
|
|
p="273.53 1231.85"
|
|
BoundingBox="274.09 1221.21 284.20 1232.16"
|
|
LabelJustification="Left"
|
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><s font="21" size="14.45" color="0" face="96">O</s></t></n><n
|
|
id="34899"
|
|
p="297.16 1216.13"
|
|
Z="1808"
|
|
/><n
|
|
id="34900"
|
|
p="261.14 1216.13"
|
|
Z="1809"
|
|
NodeType="ExternalConnectionPoint"
|
|
ExternalConnectionNum="1"
|
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/><b
|
|
id="34901"
|
|
Z="1810"
|
|
B="34898"
|
|
E="34899"
|
|
/><b
|
|
id="34902"
|
|
Z="1811"
|
|
B="34900"
|
|
E="34898"
|
|
/></fragment><t
|
|
p="273.53 1231.85"
|
|
BoundingBox="274.09 1221.21 304.22 1232.16"
|
|
LabelJustification="Left"
|
|
LabelAlignment="Left"
|
|
><s font="21" size="14.45" color="0" face="96">OMe</s></t></n><n
|
|
id="34903"
|
|
p="243.07 1205.70"
|
|
Z="1913"
|
|
Element="1"
|
|
NumHydrogens="0"
|
|
NeedsClean="yes"
|
|
AS="N"
|
|
><t
|
|
p="237.85 1210.88"
|
|
BoundingBox="238.99 1200.52 247.22 1210.88"
|
|
LabelJustification="Left"
|
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><s font="21" size="14.45" color="0" face="96">H</s></t></n><n
|
|
id="34904"
|
|
p="261.11 1132.80"
|
|
Z="1915"
|
|
NodeType="Fragment"
|
|
NeedsClean="yes"
|
|
AS="N"
|
|
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|
|
id="80137"
|
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><n
|
|
id="34906"
|
|
p="261.11 1132.80"
|
|
Z="1812"
|
|
Element="8"
|
|
NumHydrogens="0"
|
|
NeedsClean="yes"
|
|
><t
|
|
p="255.49 1138.12"
|
|
BoundingBox="256.05 1127.48 266.16 1138.43"
|
|
LabelJustification="Left"
|
|
><s font="21" size="14.45" color="0" face="96">O</s></t></n><n
|
|
id="34907"
|
|
p="243.10 1122.40"
|
|
Z="1813"
|
|
/><n
|
|
id="34908"
|
|
p="261.11 1153.60"
|
|
Z="1814"
|
|
NodeType="ExternalConnectionPoint"
|
|
ExternalConnectionNum="1"
|
|
/><b
|
|
id="34909"
|
|
Z="1815"
|
|
B="34906"
|
|
E="34907"
|
|
/><b
|
|
id="34910"
|
|
Z="1816"
|
|
B="34908"
|
|
E="34906"
|
|
Display="Bold"
|
|
/></fragment><t
|
|
p="255.49 1138.12"
|
|
BoundingBox="256.05 1127.48 286.18 1138.43"
|
|
LabelJustification="Left"
|
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LabelAlignment="Left"
|
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><s font="21" size="14.45" color="0" face="96">OMe</s></t></n><n
|
|
id="34911"
|
|
p="228.65 1130.31"
|
|
Z="1917"
|
|
AS="N"
|
|
/><n
|
|
id="34912"
|
|
p="209.50 1122.12"
|
|
Z="1918"
|
|
Geometry="Tetrahedral"
|
|
AS="S"
|
|
BondOrdering="34950 34951 34954 34958"
|
|
/><n
|
|
id="34913"
|
|
p="195.80 1137.81"
|
|
Z="1919"
|
|
Geometry="Tetrahedral"
|
|
AS="S"
|
|
BondOrdering="34952 34951 0 34953"
|
|
/><n
|
|
id="34914"
|
|
p="170.34 1137.81"
|
|
Z="1924"
|
|
Element="8"
|
|
NumHydrogens="1"
|
|
NeedsClean="yes"
|
|
AS="N"
|
|
><t
|
|
p="175.96 1143.13"
|
|
BoundingBox="155.42 1132.49 175.39 1143.44"
|
|
LabelJustification="Right"
|
|
Justification="Right"
|
|
LabelAlignment="Right"
|
|
><s font="21" size="14.45" color="0" face="96">OH</s></t></n><n
|
|
id="34915"
|
|
p="188.67 1122.12"
|
|
Z="1926"
|
|
Geometry="Tetrahedral"
|
|
AS="S"
|
|
BondOrdering="34954 34956 0 34957"
|
|
/><n
|
|
id="34916"
|
|
p="185.11 1154.76"
|
|
Z="1928"
|
|
AS="N"
|
|
/><n
|
|
id="34917"
|
|
p="173.94 1107.39"
|
|
Z="1931"
|
|
NodeType="Fragment"
|
|
NeedsClean="yes"
|
|
AS="N"
|
|
><fragment
|
|
id="80138"
|
|
><n
|
|
id="34919"
|
|
p="173.94 1107.39"
|
|
Z="1817"
|
|
Element="8"
|
|
NumHydrogens="0"
|
|
NeedsClean="yes"
|
|
><t
|
|
p="168.32 1112.71"
|
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BoundingBox="168.88 1102.07 178.99 1113.02"
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LabelJustification="Left"
|
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><s font="21" size="14.45" color="0" face="96">O</s></t></n><n
|
|
id="34920"
|
|
p="153.85 1112.77"
|
|
Z="1818"
|
|
/><n
|
|
id="34921"
|
|
p="188.65 1122.10"
|
|
Z="1819"
|
|
NodeType="ExternalConnectionPoint"
|
|
ExternalConnectionNum="1"
|
|
/><b
|
|
id="34922"
|
|
Z="1820"
|
|
B="34919"
|
|
E="34920"
|
|
/><b
|
|
id="34923"
|
|
Z="1821"
|
|
B="34921"
|
|
E="34919"
|
|
Display="Hash"
|
|
/></fragment><t
|
|
p="179.56 1112.71"
|
|
BoundingBox="149.31 1102.07 178.99 1113.02"
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|
LabelJustification="Right"
|
|
Justification="Right"
|
|
LabelAlignment="Right"
|
|
><s font="21" size="14.45" color="0" face="96">OMe</s></t></n><n
|
|
id="34924"
|
|
p="215.66 1100.46"
|
|
Z="1933"
|
|
Element="1"
|
|
NumHydrogens="0"
|
|
NeedsClean="yes"
|
|
AS="N"
|
|
><t
|
|
p="210.44 1105.64"
|
|
BoundingBox="211.58 1095.28 219.81 1105.64"
|
|
LabelJustification="Left"
|
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><s font="21" size="14.45" color="0" face="96">H</s></t></n><n
|
|
id="34925"
|
|
p="237.59 1131.47"
|
|
Z="1935"
|
|
Element="1"
|
|
NumHydrogens="0"
|
|
NeedsClean="yes"
|
|
AS="N"
|
|
><t
|
|
p="232.37 1136.65"
|
|
BoundingBox="233.51 1126.29 241.74 1136.65"
|
|
LabelJustification="Left"
|
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><s font="21" size="14.45" color="0" face="96">H</s></t></n><n
|
|
id="34926"
|
|
p="187.03 1192.49"
|
|
Z="1937"
|
|
Element="8"
|
|
NumHydrogens="1"
|
|
NeedsClean="yes"
|
|
AS="N"
|
|
><t
|
|
p="192.65 1197.81"
|
|
BoundingBox="172.11 1187.17 192.08 1198.12"
|
|
LabelJustification="Right"
|
|
Justification="Right"
|
|
LabelAlignment="Right"
|
|
><s font="21" size="14.45" color="0" face="96">OH</s></t></n><n
|
|
id="34927"
|
|
p="214.57 1135.57"
|
|
Z="1940"
|
|
Element="1"
|
|
NumHydrogens="0"
|
|
NeedsClean="yes"
|
|
AS="N"
|
|
><t
|
|
p="209.35 1140.75"
|
|
BoundingBox="210.49 1130.39 218.72 1140.75"
|
|
LabelJustification="Left"
|
|
><s font="21" size="14.45" color="0" face="96">H</s></t></n><b
|
|
id="34928"
|
|
Z="1883"
|
|
B="34874"
|
|
E="34875"
|
|
BS="N"
|
|
/><b
|
|
id="34929"
|
|
Z="1884"
|
|
B="34875"
|
|
E="34876"
|
|
BS="N"
|
|
/><b
|
|
id="34930"
|
|
Z="1885"
|
|
B="34876"
|
|
E="34877"
|
|
BS="N"
|
|
CrossingBonds="34942"
|
|
/><b
|
|
id="34931"
|
|
Z="1886"
|
|
B="34877"
|
|
E="34878"
|
|
BS="N"
|
|
CrossingBonds="34944"
|
|
/><b
|
|
id="34932"
|
|
Z="1887"
|
|
B="34878"
|
|
E="34879"
|
|
BS="N"
|
|
/><b
|
|
id="34933"
|
|
Z="1888"
|
|
B="34879"
|
|
E="34874"
|
|
BS="N"
|
|
CrossingBonds="34943"
|
|
/><b
|
|
id="34934"
|
|
Z="1894"
|
|
B="34874"
|
|
E="34880"
|
|
BS="N"
|
|
CrossingBonds="34961"
|
|
/><b
|
|
id="34935"
|
|
Z="1895"
|
|
B="34880"
|
|
E="34881"
|
|
BS="N"
|
|
/><b
|
|
id="34936"
|
|
Z="1896"
|
|
B="34881"
|
|
E="34882"
|
|
BS="N"
|
|
/><b
|
|
id="34937"
|
|
Z="1897"
|
|
B="34882"
|
|
E="34883"
|
|
BS="N"
|
|
/><b
|
|
id="34938"
|
|
Z="1898"
|
|
B="34883"
|
|
E="34884"
|
|
BS="N"
|
|
/><b
|
|
id="34939"
|
|
Z="1899"
|
|
B="34884"
|
|
E="34875"
|
|
BS="N"
|
|
/><b
|
|
id="34940"
|
|
Z="1901"
|
|
Warning="This stereobond connects two stereocenters."
|
|
B="34874"
|
|
E="34885"
|
|
Display="Bold"
|
|
BS="N"
|
|
/><b
|
|
id="34941"
|
|
Z="1903"
|
|
B="34876"
|
|
E="34886"
|
|
Display="Bold"
|
|
BS="N"
|
|
/><b
|
|
id="34942"
|
|
Z="1905"
|
|
B="34887"
|
|
E="34886"
|
|
BS="N"
|
|
CrossingBonds="34930"
|
|
/><b
|
|
id="34943"
|
|
Z="1906"
|
|
B="34887"
|
|
E="34885"
|
|
BS="N"
|
|
CrossingBonds="34933"
|
|
/><b
|
|
id="34944"
|
|
Z="1908"
|
|
B="34888"
|
|
E="34887"
|
|
BS="N"
|
|
CrossingBonds="34931"
|
|
/><b
|
|
id="34945"
|
|
Z="1910"
|
|
B="34876"
|
|
E="34895"
|
|
Display="Hash"
|
|
BS="N"
|
|
/><b
|
|
id="34946"
|
|
Z="1912"
|
|
B="34895"
|
|
E="34896"
|
|
BS="N"
|
|
/><b
|
|
id="34947"
|
|
Z="1914"
|
|
B="34875"
|
|
E="34903"
|
|
Display="WedgedHashBegin"
|
|
BS="N"
|
|
/><b
|
|
id="34948"
|
|
Z="1916"
|
|
B="34879"
|
|
E="34904"
|
|
Display="Bold"
|
|
BS="N"
|
|
/><b
|
|
id="34949"
|
|
Z="1920"
|
|
B="34880"
|
|
E="34911"
|
|
BS="N"
|
|
/><b
|
|
id="34950"
|
|
Z="1921"
|
|
B="34911"
|
|
E="34912"
|
|
BS="N"
|
|
/><b
|
|
id="34951"
|
|
Z="1922"
|
|
B="34912"
|
|
E="34913"
|
|
BS="N"
|
|
/><b
|
|
id="34952"
|
|
Z="1923"
|
|
B="34913"
|
|
E="34881"
|
|
BS="N"
|
|
/><b
|
|
id="34953"
|
|
Z="1925"
|
|
B="34913"
|
|
E="34914"
|
|
Display="Bold"
|
|
BS="N"
|
|
CrossingBonds="34956"
|
|
/><b
|
|
id="34954"
|
|
Z="1927"
|
|
B="34912"
|
|
E="34915"
|
|
BS="N"
|
|
/><b
|
|
id="34955"
|
|
Z="1929"
|
|
B="34916"
|
|
E="34882"
|
|
Display="Bold"
|
|
BS="N"
|
|
/><b
|
|
id="34956"
|
|
Z="1930"
|
|
B="34916"
|
|
E="34915"
|
|
BS="N"
|
|
CrossingBonds="34953"
|
|
/><b
|
|
id="34957"
|
|
Z="1932"
|
|
B="34915"
|
|
E="34917"
|
|
Display="Hash"
|
|
BS="N"
|
|
/><b
|
|
id="34958"
|
|
Z="1934"
|
|
B="34912"
|
|
E="34924"
|
|
Display="Hash"
|
|
BS="N"
|
|
/><b
|
|
id="34959"
|
|
Z="1936"
|
|
B="34880"
|
|
E="34925"
|
|
Display="Hash"
|
|
BS="N"
|
|
CrossingBonds="34961"
|
|
/><b
|
|
id="34960"
|
|
Z="1938"
|
|
B="34882"
|
|
E="34926"
|
|
Display="WedgedHashBegin"
|
|
BS="N"
|
|
/><b
|
|
id="34961"
|
|
Z="1939"
|
|
Warning="This stereobond connects two stereocenters."
|
|
B="34883"
|
|
E="34885"
|
|
Display="Bold"
|
|
BS="N"
|
|
CrossingBonds="34934 34959"
|
|
/><b
|
|
id="34962"
|
|
Z="1941"
|
|
B="34881"
|
|
E="34927"
|
|
Display="Hash"
|
|
BS="N"
|
|
/></fragment><fragment
|
|
id="34963"
|
|
BoundingBox="269.22 1163.84 275.42 1170.38"
|
|
Z="1943"
|
|
><n
|
|
id="34964"
|
|
p="272.27 1167.11"
|
|
Z="1942"
|
|
color="12"
|
|
MarginWidth="1.46"
|
|
NodeType="GenericNickname"
|
|
NumHydrogens="0"
|
|
NeedsClean="yes"
|
|
AS="N"
|
|
GenericNickname="A"
|
|
><t
|
|
p="268.98 1170.38"
|
|
BoundingBox="269.22 1163.84 275.42 1170.38"
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|
color="12"
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|
LabelJustification="Left"
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|
LabelLineHeight="auto"
|
|
LineHeight="auto"
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|
|
id="34965"
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|
BoundingBox="249 1176.96 253.96 1183.50"
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|
Z="1945"
|
|
><n
|
|
id="34966"
|
|
p="251.30 1180.23"
|
|
Z="1944"
|
|
color="12"
|
|
IgnoreWarnings="yes"
|
|
Warning="ChemDraw can't interpret this label."
|
|
MarginWidth="1.46"
|
|
NodeType="Unspecified"
|
|
NeedsClean="yes"
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|
AS="N"
|
|
><t
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|
p="248.27 1183.50"
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|
BoundingBox="249 1176.96 253.96 1183.50"
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color="12"
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LabelJustification="Left"
|
|
LabelLineHeight="auto"
|
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LineHeight="auto"
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|
|
id="34967"
|
|
BoundingBox="234.54 1176.96 239.19 1183.50"
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|
Z="1947"
|
|
><n
|
|
id="34968"
|
|
p="236.63 1180.23"
|
|
Z="1946"
|
|
color="12"
|
|
IgnoreWarnings="yes"
|
|
Warning="An atom in this label has an invalid valence."
|
|
MarginWidth="1.46"
|
|
Element="9"
|
|
NumHydrogens="0"
|
|
NeedsClean="yes"
|
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AS="N"
|
|
><t
|
|
p="233.85 1183.50"
|
|
BoundingBox="234.54 1176.96 239.19 1183.50"
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|
color="12"
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LabelLineHeight="auto"
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LineHeight="auto"
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|
|
id="34969"
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|
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Z="1949"
|
|
><n
|
|
id="34970"
|
|
p="207.64 1170.96"
|
|
Z="1948"
|
|
color="12"
|
|
IgnoreWarnings="yes"
|
|
Warning="An atom in this label has an invalid valence."
|
|
MarginWidth="1.46"
|
|
Element="5"
|
|
NumHydrogens="0"
|
|
NeedsClean="yes"
|
|
AS="N"
|
|
><t
|
|
p="204.35 1174.23"
|
|
BoundingBox="205.07 1167.69 210.47 1174.23"
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|
color="12"
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LabelLineHeight="auto"
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LineHeight="auto"
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><s font="371" size="9.1" color="12" face="1">B</s></t></n></fragment><fragment
|
|
id="34971"
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|
BoundingBox="218.37 1142.10 224.20 1148.96"
|
|
Z="1951"
|
|
><n
|
|
id="34972"
|
|
p="221.25 1145.50"
|
|
Z="1950"
|
|
color="12"
|
|
IgnoreWarnings="yes"
|
|
Warning="An atom in this label has an invalid valence."
|
|
MarginWidth="1.46"
|
|
NumHydrogens="0"
|
|
NeedsClean="yes"
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AS="N"
|
|
><t
|
|
p="217.96 1148.77"
|
|
BoundingBox="218.37 1142.10 224.20 1148.96"
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color="12"
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LabelLineHeight="auto"
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LineHeight="auto"
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|
|
id="34973"
|
|
BoundingBox="190.58 1148.41 196.12 1154.95"
|
|
Z="1953"
|
|
><n
|
|
id="34974"
|
|
p="193.17 1151.68"
|
|
Z="1952"
|
|
color="12"
|
|
IgnoreWarnings="yes"
|
|
Warning="An atom in this label has an invalid valence."
|
|
MarginWidth="1.46"
|
|
Element="1"
|
|
NumHydrogens="0"
|
|
Isotope="2"
|
|
NeedsClean="yes"
|
|
AS="N"
|
|
><t
|
|
p="189.88 1154.95"
|
|
BoundingBox="190.58 1148.41 196.12 1154.95"
|
|
color="12"
|
|
LabelJustification="Left"
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|
LabelLineHeight="auto"
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LineHeight="auto"
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|
id="34983"
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|
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Z="1959"
|
|
><n
|
|
id="34982"
|
|
p="409.60 1199.56"
|
|
Z="1958"
|
|
NodeType="Fragment"
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|
NeedsClean="yes"
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AS="N"
|
|
LabelDisplay="Center"
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|
id="80139"
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|
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|
|
id="41784"
|
|
p="547.47 1378.11"
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|
Z="1686"
|
|
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|
NumHydrogens="0"
|
|
NeedsClean="yes"
|
|
><t
|
|
p="542.25 1383.29"
|
|
BoundingBox="543.39 1372.93 559.74 1386.49"
|
|
LabelJustification="Left"
|
|
LabelAlignment="Left"
|
|
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|
|
id="41785"
|
|
p="565.49 1388.51"
|
|
Z="1687"
|
|
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|
|
NumHydrogens="0"
|
|
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|
p="559.87 1393.83"
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id="41786"
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p="583.50 1357.31"
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|
|
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|
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|
p="577.88 1362.63"
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|
id="41787"
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|
p="583.50 1378.11"
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|
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|
|
/><n
|
|
id="41788"
|
|
p="601.51 1388.51"
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|
Z="1690"
|
|
/><n
|
|
id="41789"
|
|
p="529.46 1388.51"
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|
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|
|
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><t
|
|
p="523.84 1393.83"
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|
id="41790"
|
|
p="511.45 1357.31"
|
|
Z="1692"
|
|
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|
|
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|
|
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|
|
p="505.83 1362.63"
|
|
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|
|
id="41791"
|
|
p="511.45 1378.11"
|
|
Z="1693"
|
|
/><n
|
|
id="41792"
|
|
p="493.43 1388.51"
|
|
Z="1694"
|
|
/><b
|
|
id="41793"
|
|
Z="1695"
|
|
B="41791"
|
|
E="41792"
|
|
/><b
|
|
id="41794"
|
|
Z="1696"
|
|
B="41790"
|
|
E="41791"
|
|
Order="2"
|
|
/><b
|
|
id="41795"
|
|
Z="1697"
|
|
B="41789"
|
|
E="41791"
|
|
/><b
|
|
id="41796"
|
|
Z="1698"
|
|
B="41787"
|
|
E="41788"
|
|
/><b
|
|
id="41797"
|
|
Z="1699"
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|
B="41786"
|
|
E="41787"
|
|
Order="2"
|
|
/><b
|
|
id="41798"
|
|
Z="1700"
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|
B="41785"
|
|
E="41787"
|
|
/><b
|
|
id="41799"
|
|
Z="1701"
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|
B="41784"
|
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E="41789"
|
|
/><b
|
|
id="41800"
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|
Z="1702"
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|
B="41784"
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|
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|
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|
|
p="409.60 1204.74"
|
|
BoundingBox="379.63 1194.10 440.25 1208.05"
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|
|
LabelLineHeight="auto"
|
|
Justification="Center"
|
|
LineHeight="auto"
|
|
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|
|
id="34984"
|
|
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|
Z="1962"
|
|
><n
|
|
id="34985"
|
|
p="599.67 1164.04"
|
|
Z="1960"
|
|
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|
|
AS="S"
|
|
BondOrdering="35039 35044 35045 35051"
|
|
/><n
|
|
id="34986"
|
|
p="599.67 1184.87"
|
|
Z="1961"
|
|
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|
|
AS="R"
|
|
BondOrdering="35039 35040 35050 35058"
|
|
/><n
|
|
id="34987"
|
|
p="617.71 1195.29"
|
|
Z="1963"
|
|
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|
|
AS="S"
|
|
BondOrdering="35040 35041 35052 35056"
|
|
/><n
|
|
id="34988"
|
|
p="635.75 1184.87"
|
|
Z="1964"
|
|
AS="N"
|
|
/><n
|
|
id="34989"
|
|
p="635.75 1164.04"
|
|
Z="1965"
|
|
AS="N"
|
|
/><n
|
|
id="34990"
|
|
p="617.71 1153.63"
|
|
Z="1966"
|
|
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|
|
AS="S"
|
|
BondOrdering="35044 35043 0 35059"
|
|
/><n
|
|
id="34991"
|
|
p="583.39 1151.05"
|
|
Z="1973"
|
|
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|
|
AS="R"
|
|
BondOrdering="35045 35046 35060 35070"
|
|
/><n
|
|
id="34992"
|
|
p="563.08 1155.69"
|
|
Z="1974"
|
|
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|
|
AS="S"
|
|
BondOrdering="35046 35047 35063 35073"
|
|
/><n
|
|
id="34993"
|
|
p="554.04 1174.46"
|
|
Z="1975"
|
|
AS="N"
|
|
/><n
|
|
id="34994"
|
|
p="563.08 1193.22"
|
|
Z="1976"
|
|
AS="N"
|
|
/><n
|
|
id="34995"
|
|
p="583.39 1197.86"
|
|
Z="1977"
|
|
AS="N"
|
|
/><n
|
|
id="34996"
|
|
p="599.67 1143.21"
|
|
Z="1984"
|
|
AS="N"
|
|
/><n
|
|
id="34997"
|
|
p="635.75 1205.70"
|
|
Z="1986"
|
|
AS="N"
|
|
/><n
|
|
id="34998"
|
|
p="618.15 1175.40"
|
|
Z="1988"
|
|
Element="7"
|
|
NumHydrogens="0"
|
|
NeedsClean="yes"
|
|
AS="N"
|
|
><t
|
|
p="612.93 1180.58"
|
|
BoundingBox="614.03 1170.22 622.26 1180.58"
|
|
LabelJustification="Left"
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|
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><s font="21" size="14.45" color="0" face="96">N</s></t></n><n
|
|
id="34999"
|
|
p="652.18 1175.40"
|
|
Z="1991"
|
|
NodeType="Nickname"
|
|
NeedsClean="yes"
|
|
AS="N"
|
|
><fragment
|
|
id="80140"
|
|
><n
|
|
id="35001"
|
|
p="662.58 1157.39"
|
|
Z="1822"
|
|
/><n
|
|
id="35002"
|
|
p="652.18 1175.40"
|
|
Z="1823"
|
|
/><n
|
|
id="35003"
|
|
p="631.38 1175.40"
|
|
Z="1824"
|
|
NodeType="ExternalConnectionPoint"
|
|
ExternalConnectionNum="1"
|
|
/><b
|
|
id="35004"
|
|
Z="1825"
|
|
B="35001"
|
|
E="35002"
|
|
/><b
|
|
id="35005"
|
|
Z="1826"
|
|
B="35003"
|
|
E="35002"
|
|
/></fragment><t
|
|
p="647.36 1180.58"
|
|
BoundingBox="648.60 1170.22 660.68 1180.70"
|
|
LabelJustification="Left"
|
|
LabelAlignment="Left"
|
|
><s font="21" size="14.45" color="0" face="96">Et</s></t></n><n
|
|
id="35006"
|
|
p="617.71 1216.12"
|
|
Z="1993"
|
|
AS="N"
|
|
/><n
|
|
id="35007"
|
|
p="635.75 1226.53"
|
|
Z="1995"
|
|
NodeType="Fragment"
|
|
NeedsClean="yes"
|
|
AS="N"
|
|
><fragment
|
|
id="80141"
|
|
><n
|
|
id="35009"
|
|
p="635.75 1226.53"
|
|
Z="1827"
|
|
Element="8"
|
|
NumHydrogens="0"
|
|
NeedsClean="yes"
|
|
><t
|
|
p="630.13 1231.85"
|
|
BoundingBox="630.69 1221.21 640.80 1232.16"
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|
LabelJustification="Left"
|
|
><s font="21" size="14.45" color="0" face="96">O</s></t></n><n
|
|
id="35010"
|
|
p="653.76 1216.13"
|
|
Z="1828"
|
|
/><n
|
|
id="35011"
|
|
p="617.74 1216.13"
|
|
Z="1829"
|
|
NodeType="ExternalConnectionPoint"
|
|
ExternalConnectionNum="1"
|
|
/><b
|
|
id="35012"
|
|
Z="1830"
|
|
B="35009"
|
|
E="35010"
|
|
/><b
|
|
id="35013"
|
|
Z="1831"
|
|
B="35011"
|
|
E="35009"
|
|
/></fragment><t
|
|
p="630.13 1231.85"
|
|
BoundingBox="630.69 1221.21 660.82 1232.16"
|
|
LabelJustification="Left"
|
|
LabelAlignment="Left"
|
|
><s font="21" size="14.45" color="0" face="96">OMe</s></t></n><n
|
|
id="35014"
|
|
p="599.67 1205.70"
|
|
Z="1997"
|
|
Element="1"
|
|
NumHydrogens="0"
|
|
NeedsClean="yes"
|
|
AS="N"
|
|
><t
|
|
p="594.45 1210.88"
|
|
BoundingBox="595.59 1200.52 603.82 1210.88"
|
|
LabelJustification="Left"
|
|
><s font="21" size="14.45" color="0" face="96">H</s></t></n><n
|
|
id="35015"
|
|
p="617.71 1132.80"
|
|
Z="1999"
|
|
NodeType="Fragment"
|
|
NeedsClean="yes"
|
|
AS="N"
|
|
><fragment
|
|
id="80142"
|
|
><n
|
|
id="35017"
|
|
p="617.71 1132.80"
|
|
Z="1832"
|
|
Element="8"
|
|
NumHydrogens="0"
|
|
NeedsClean="yes"
|
|
><t
|
|
p="612.09 1138.12"
|
|
BoundingBox="612.65 1127.48 622.76 1138.43"
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|
LabelJustification="Left"
|
|
><s font="21" size="14.45" color="0" face="96">O</s></t></n><n
|
|
id="35018"
|
|
p="599.70 1122.40"
|
|
Z="1833"
|
|
/><n
|
|
id="35019"
|
|
p="617.71 1153.60"
|
|
Z="1834"
|
|
NodeType="ExternalConnectionPoint"
|
|
ExternalConnectionNum="1"
|
|
/><b
|
|
id="35020"
|
|
Z="1835"
|
|
B="35017"
|
|
E="35018"
|
|
/><b
|
|
id="35021"
|
|
Z="1836"
|
|
B="35019"
|
|
E="35017"
|
|
Display="Bold"
|
|
/></fragment><t
|
|
p="612.09 1138.12"
|
|
BoundingBox="612.65 1127.48 642.78 1138.43"
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|
LabelJustification="Left"
|
|
LabelAlignment="Left"
|
|
><s font="21" size="14.45" color="0" face="96">OMe</s></t></n><n
|
|
id="35022"
|
|
p="585.25 1130.31"
|
|
Z="2001"
|
|
AS="N"
|
|
/><n
|
|
id="35023"
|
|
p="566.10 1122.12"
|
|
Z="2002"
|
|
Geometry="Tetrahedral"
|
|
AS="S"
|
|
BondOrdering="35061 35062 35065 35069"
|
|
/><n
|
|
id="35024"
|
|
p="552.40 1137.81"
|
|
Z="2003"
|
|
Geometry="Tetrahedral"
|
|
AS="R"
|
|
BondOrdering="35063 35062 0 35064"
|
|
/><n
|
|
id="35025"
|
|
p="526.94 1137.81"
|
|
Z="2008"
|
|
Element="8"
|
|
NumHydrogens="1"
|
|
NeedsClean="yes"
|
|
AS="N"
|
|
><t
|
|
p="532.56 1143.13"
|
|
BoundingBox="512.02 1132.49 531.99 1143.44"
|
|
LabelJustification="Right"
|
|
Justification="Right"
|
|
LabelAlignment="Right"
|
|
><s font="21" size="14.45" color="0" face="96">OH</s></t></n><n
|
|
id="35026"
|
|
p="545.27 1122.12"
|
|
Z="2010"
|
|
Geometry="Tetrahedral"
|
|
AS="S"
|
|
BondOrdering="35065 35067 0 35068"
|
|
/><n
|
|
id="35027"
|
|
p="541.71 1154.76"
|
|
Z="2012"
|
|
AS="N"
|
|
/><n
|
|
id="35028"
|
|
p="530.54 1107.39"
|
|
Z="2015"
|
|
NodeType="Fragment"
|
|
NeedsClean="yes"
|
|
AS="N"
|
|
><fragment
|
|
id="80143"
|
|
><n
|
|
id="35030"
|
|
p="530.54 1107.39"
|
|
Z="1837"
|
|
Element="8"
|
|
NumHydrogens="0"
|
|
NeedsClean="yes"
|
|
><t
|
|
p="524.92 1112.71"
|
|
BoundingBox="525.48 1102.07 535.59 1113.02"
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|
LabelJustification="Left"
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|
><s font="21" size="14.45" color="0" face="96">O</s></t></n><n
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|
id="35031"
|
|
p="510.45 1112.77"
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|
Z="1838"
|
|
/><n
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|
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BS="N"
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BoundingBox="319 1371.08 325.20 1377.62"
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p="301.08 1387.47"
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Z="2266"
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color="12"
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IgnoreWarnings="yes"
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Warning="ChemDraw can't interpret this label."
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MarginWidth="1.46"
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NodeType="Unspecified"
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BoundingBox="298.78 1384.20 303.74 1390.74"
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LabelLineHeight="auto"
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BoundingBox="78.66 1341.53 196.15 1410.67"
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><n
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id="35858"
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p="121.33 1352.97"
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Z="2273"
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AS="N"
|
|
/><n
|
|
id="35860"
|
|
p="121.33 1373.80"
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|
Z="2274"
|
|
AS="N"
|
|
/><n
|
|
id="35862"
|
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p="139.37 1384.21"
|
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Z="2276"
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AS="N"
|
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/><n
|
|
id="35864"
|
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p="157.41 1373.80"
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|
Z="2277"
|
|
AS="N"
|
|
/><n
|
|
id="35866"
|
|
p="157.41 1352.97"
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Z="2278"
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AS="N"
|
|
/><n
|
|
id="35868"
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p="139.37 1342.55"
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Z="2279"
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AS="N"
|
|
/><n
|
|
id="35876"
|
|
p="175.45 1384.21"
|
|
Z="2286"
|
|
AS="N"
|
|
/><n
|
|
id="35878"
|
|
p="193.49 1394.63"
|
|
Z="2288"
|
|
AS="N"
|
|
/><n
|
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id="35886"
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p="139.37 1405.04"
|
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Z="2290"
|
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NodeType="Fragment"
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NeedsClean="yes"
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AS="N"
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id="80163"
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><n
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id="41916"
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p="139.37 1405.04"
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Z="1788"
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Element="8"
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NumHydrogens="0"
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><t
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p="133.75 1410.36"
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BoundingBox="134.31 1399.72 144.42 1410.67"
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><s font="21" size="14.45" color="0" face="96">O</s></t></n><n
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id="41917"
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p="121.35 1415.44"
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Z="1789"
|
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/><n
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id="41918"
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p="121.35 1436.24"
|
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Z="1790"
|
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Element="8"
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NumHydrogens="0"
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NeedsClean="yes"
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><t
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p="115.73 1441.56"
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BoundingBox="116.29 1430.92 126.40 1441.87"
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LabelJustification="Left"
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><s font="21" size="14.45" color="0" face="96">O</s></t></n><n
|
|
id="41919"
|
|
p="103.34 1446.64"
|
|
Z="1791"
|
|
/><n
|
|
id="41920"
|
|
p="139.37 1384.24"
|
|
Z="1792"
|
|
NodeType="ExternalConnectionPoint"
|
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ExternalConnectionNum="1"
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/><b
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|
id="41921"
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Z="1793"
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B="41918"
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E="41919"
|
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/><b
|
|
id="41922"
|
|
Z="1794"
|
|
B="41917"
|
|
E="41918"
|
|
/><b
|
|
id="41923"
|
|
Z="1795"
|
|
B="41916"
|
|
E="41917"
|
|
/><b
|
|
id="41924"
|
|
Z="1796"
|
|
B="41920"
|
|
E="41916"
|
|
/></fragment><t
|
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p="133.75 1410.36"
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BoundingBox="134.31 1399.72 179.27 1410.67"
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|
LabelJustification="Left"
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|
LabelAlignment="Left"
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><s font="21" size="14.45" color="0" face="96">OMOM</s></t></n><n
|
|
id="35888"
|
|
p="103.29 1384.21"
|
|
Z="2292"
|
|
NodeType="Fragment"
|
|
NeedsClean="yes"
|
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AS="N"
|
|
><fragment
|
|
id="80164"
|
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><n
|
|
id="41927"
|
|
p="103.29 1384.21"
|
|
Z="1797"
|
|
Element="8"
|
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NumHydrogens="0"
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NeedsClean="yes"
|
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><t
|
|
p="97.67 1389.53"
|
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BoundingBox="98.23 1378.89 108.34 1389.84"
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LabelJustification="Left"
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><s font="21" size="14.45" color="0" face="96">O</s></t></n><n
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id="41928"
|
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p="103.29 1405.01"
|
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Z="1798"
|
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/><n
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id="41929"
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p="121.30 1373.81"
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Z="1799"
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NodeType="ExternalConnectionPoint"
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ExternalConnectionNum="1"
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id="41930"
|
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Z="1800"
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B="41927"
|
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E="41928"
|
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/><b
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|
id="41931"
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Z="1801"
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B="41929"
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/></fragment><t
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|
p="108.91 1389.53"
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BoundingBox="78.66 1378.89 108.34 1389.84"
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LabelJustification="Right"
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|
Justification="Right"
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|
LabelAlignment="Right"
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><s font="21" size="14.45" color="0" face="96">OMe</s></t></n><b
|
|
id="35870"
|
|
Z="2280"
|
|
B="35858"
|
|
E="35860"
|
|
Order="2"
|
|
BS="N"
|
|
BondCircularOrdering="35875 0 35889 35871"
|
|
/><b
|
|
id="35871"
|
|
Z="2281"
|
|
B="35860"
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|
E="35862"
|
|
BS="N"
|
|
/><b
|
|
id="35872"
|
|
Z="2282"
|
|
B="35862"
|
|
E="35864"
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|
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|
|
BS="N"
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|
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|
|
/><b
|
|
id="35873"
|
|
Z="2283"
|
|
B="35864"
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|
|
BS="N"
|
|
/><b
|
|
id="35874"
|
|
Z="2284"
|
|
B="35866"
|
|
E="35868"
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|
BS="N"
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/><b
|
|
id="35875"
|
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B="35868"
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E="35858"
|
|
BS="N"
|
|
/><b
|
|
id="35877"
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|
Z="2287"
|
|
B="35864"
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E="35876"
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|
BS="N"
|
|
/><b
|
|
id="35879"
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|
Z="2289"
|
|
B="35876"
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E="35878"
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BS="N"
|
|
/><b
|
|
id="35887"
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|
Z="2291"
|
|
B="35862"
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E="35886"
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BS="N"
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/><b
|
|
id="35889"
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|
id="3494"
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|
p="421.84 969.47"
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|
BoundingBox="422.72 958.96 503.28 969.76"
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|
Z="1359"
|
|
color="11"
|
|
Warning="Chemical Interpretation is not possible for this label"
|
|
LineHeight="auto"
|
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><s font="368" size="14.45" color="11" face="2">esterification</s></t><t
|
|
id="3496"
|
|
p="206.98 911.35"
|
|
BoundingBox="174.43 900.99 240.65 926.08"
|
|
Z="1360"
|
|
color="11"
|
|
Warning="Chemical Interpretation is not possible for this label"
|
|
CaptionJustification="Center"
|
|
Justification="Center"
|
|
LineHeight="auto"
|
|
LineStarts="6 16"
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><s font="368" size="14.45" color="11" face="2">Prins
|
|
annulation</s></t><t
|
|
id="20381"
|
|
p="126.73 716.54"
|
|
BoundingBox="78.92 706.14 175.94 719.74"
|
|
Z="1419"
|
|
color="11"
|
|
Warning="Chemical Interpretation is not possible for this label"
|
|
CaptionJustification="Center"
|
|
Justification="Center"
|
|
LineHeight="auto"
|
|
><s font="368" size="14.45" color="11" face="2">amide coupling</s></t><t
|
|
id="20382"
|
|
p="319.24 803.38"
|
|
BoundingBox="256.58 792.98 383.02 821.71"
|
|
Z="1421"
|
|
color="11"
|
|
Warning="Chemical Interpretation is not possible for this label"
|
|
CaptionJustification="Center"
|
|
Justification="Center"
|
|
LineHeight="auto"
|
|
LineStarts="15 34"
|
|
><s font="368" size="14.45" color="11" face="2">intramolecular
|
|
alkoxycarbonylation</s></t><t
|
|
id="23954"
|
|
p="698.12 988.26"
|
|
BoundingBox="667.61 977.86 729.81 1003.86"
|
|
Z="1501"
|
|
color="11"
|
|
Warning="Chemical Interpretation is not possible for this label"
|
|
CaptionJustification="Center"
|
|
Justification="Center"
|
|
LineHeight="auto"
|
|
LineStarts="10 18"
|
|
><s font="368" size="14.45" color="11" face="2">conjugate
|
|
addition</s></t><t
|
|
id="23967"
|
|
p="541.10 848"
|
|
BoundingBox="499.01 837.64 584.39 851.01"
|
|
Z="1504"
|
|
color="11"
|
|
Warning="Chemical Interpretation is not possible for this label"
|
|
CaptionJustification="Center"
|
|
Justification="Center"
|
|
LineHeight="auto"
|
|
><s font="368" size="14.45" color="11" face="2">epimerization</s></t><t
|
|
id="36397"
|
|
p="464.61 711.89"
|
|
BoundingBox="438.81 701.53 492.96 712.17"
|
|
Z="1576"
|
|
color="11"
|
|
Warning="Chemical Interpretation is not possible for this label"
|
|
CaptionJustification="Center"
|
|
Justification="Center"
|
|
LineHeight="auto"
|
|
><s font="368" size="14.45" color="11" face="2">Nazarov</s></t><t
|
|
id="36415"
|
|
p="913.99 719.11"
|
|
BoundingBox="885.81 708.60 943.63 719.39"
|
|
Z="1635"
|
|
color="11"
|
|
Warning="Chemical Interpretation is not possible for this label"
|
|
CaptionJustification="Center"
|
|
Justification="Center"
|
|
LineHeight="auto"
|
|
><s font="368" size="14.45" color="11" face="2">Hofmann</s></t><t
|
|
id="36475"
|
|
p="925.30 852.34"
|
|
BoundingBox="925.60 841.90 959.08 855.18"
|
|
Z="1679"
|
|
color="11"
|
|
Warning="Chemical Interpretation is not possible for this label"
|
|
LineHeight="auto"
|
|
><s font="368" size="14.45" color="11" face="2">[3+2]</s></t><t
|
|
id="36480"
|
|
p="802.36 832.18"
|
|
BoundingBox="803.43 821.78 869.58 832.47"
|
|
Z="1681"
|
|
color="11"
|
|
Warning="Chemical Interpretation is not possible for this label"
|
|
LineHeight="auto"
|
|
><s font="368" size="14.45" color="11" face="2">Mitsunobu</s></t><t
|
|
id="34976"
|
|
p="410.13 1152.66"
|
|
BoundingBox="342.43 1142.26 477.46 1155.76"
|
|
Z="1955"
|
|
Warning="Chemical Interpretation is not possible for this label"
|
|
CaptionJustification="Center"
|
|
Justification="Center"
|
|
LineHeight="auto"
|
|
><s font="21" size="14.45" color="0">acetylation, reduction</s></t><t
|
|
id="34977"
|
|
p="409.16 1240.81"
|
|
BoundingBox="361.82 1230.30 460.29 1287.48"
|
|
Z="1956"
|
|
Warning="Chemical Interpretation is not possible for this label"
|
|
CaptionJustification="Center"
|
|
Justification="Center"
|
|
LineHeight="auto"
|
|
LineStarts="17 27 40 54"
|
|
><s font="368" size="14.45" color="0" face="2">F-ring scission/
|
|
formation
|
|
pioneered by
|
|
Weisner et al.</s></t><t
|
|
id="35511"
|
|
p="781.01 1264.97"
|
|
BoundingBox="731.33 1254.57 831.25 1283.40"
|
|
Z="2144"
|
|
Warning="Chemical Interpretation is not possible for this label"
|
|
CaptionJustification="Center"
|
|
Justification="Center"
|
|
LineHeight="auto"
|
|
LineStarts="9 22"
|
|
><s font="371" size="14.45" color="0" face="1">skeletal
|
|
rearrangement</s></t><t
|
|
id="35795"
|
|
p="730.14 1399.30"
|
|
BoundingBox="693.10 1388.84 768.28 1414.02"
|
|
Z="2236"
|
|
Warning="Chemical Interpretation is not possible for this label"
|
|
CaptionJustification="Center"
|
|
Justification="Center"
|
|
LineHeight="auto"
|
|
LineStarts="12 20"
|
|
><s font="371" size="14.45" color="0" face="1">Diels-Alder
|
|
reaction</s></t><t
|
|
id="35857"
|
|
p="217.46 1383.44"
|
|
BoundingBox="218.11 1376.07 225.47 1383.44"
|
|
Z="2272"
|
|
Warning="Chemical Interpretation is not possible for this label"
|
|
LineHeight="auto"
|
|
><s font="21" size="14.45" color="0">+</s></t><graphic
|
|
id="80096"
|
|
SupersededBy="80165"
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|
BoundingBox="254.01 911.09 228.77 911.29"
|
|
Z="1355"
|
|
color="11"
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|
LineType="Dashed"
|
|
GraphicType="Line"
|
|
HeadSize="1000"
|
|
/><graphic
|
|
id="80097"
|
|
SupersededBy="80166"
|
|
BoundingBox="280.18 911.09 269.70 898.02"
|
|
Z="1356"
|
|
color="11"
|
|
LineType="Bold"
|
|
GraphicType="Line"
|
|
HeadSize="2000"
|
|
/><graphic
|
|
id="80098"
|
|
SupersededBy="80167"
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|
BoundingBox="407.80 954.01 383.96 954.01"
|
|
Z="1357"
|
|
color="11"
|
|
LineType="Bold"
|
|
GraphicType="Line"
|
|
HeadSize="2000"
|
|
/><graphic
|
|
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|
|
SupersededBy="80168"
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BoundingBox="422.24 961.55 407.17 952.85"
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|
Z="1358"
|
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color="11"
|
|
LineType="Dashed"
|
|
GraphicType="Line"
|
|
HeadSize="1000"
|
|
/><graphic
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|
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|
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SupersededBy="80169"
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BoundingBox="224.20 713.73 179.50 713.56"
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|
Z="1420"
|
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color="11"
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LineType="Dashed"
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GraphicType="Line"
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HeadSize="1000"
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|
/><graphic
|
|
id="80101"
|
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SupersededBy="80170"
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BoundingBox="237.32 729.84 224.20 713.73"
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|
Z="1422"
|
|
color="11"
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|
LineType="Bold"
|
|
GraphicType="Line"
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|
HeadSize="2000"
|
|
/><graphic
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|
id="80102"
|
|
SupersededBy="80171"
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BoundingBox="204.65 794.63 217.63 778.41"
|
|
Z="1423"
|
|
color="11"
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|
LineType="Bold"
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|
GraphicType="Line"
|
|
HeadSize="2000"
|
|
/><graphic
|
|
id="80103"
|
|
SupersededBy="80172"
|
|
BoundingBox="390.44 739.07 397.90 719.69"
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|
Z="1577"
|
|
color="11"
|
|
LineType="Bold"
|
|
GraphicType="Line"
|
|
HeadSize="2000"
|
|
/><graphic
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|
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|
|
SupersededBy="80173"
|
|
BoundingBox="867.45 751.52 879.42 758.60"
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|
Z="1634"
|
|
color="11"
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|
LineType="Bold"
|
|
GraphicType="Line"
|
|
HeadSize="2000"
|
|
/><graphic
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|
id="80105"
|
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SupersededBy="80174"
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BoundingBox="895.84 866.25 901.03 879.61"
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