PC-Compounds ::= {
{
id {
id cid 71299766
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charge {
{
aid 1,
value 2
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{
aid 2,
value -1
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{
aid 3,
value -1
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rtop 76,
rbottom 32,
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type planar
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planar {
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rtop 77,
rbottom 33,
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type planar
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planar {
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rtop 96,
rbottom 32,
parity opposite,
type planar
},
planar {
left 37,
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lbottom 95,
right 39,
rtop 97,
rbottom 33,
parity opposite,
type planar
}
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coords {
{
type {
twod,
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units-unknown
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},
conformers {
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charge 0,
props {
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urn {
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release "2021.10.14"
},
value ival 1
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urn {
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release "2021.10.14"
},
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urn {
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urn {
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},
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{
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{
urn {
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},
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urn {
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},
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{
urn {
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datatype string,
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},
value sval "CCCCCC=CCC=CCCCCCCCC(=O)[O-].CCCCCC=CCC=CCCCCCCCC(=O)[O-].
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{
urn {
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},
value sval "CCCCC/C=C/C/C=C/CCCCCCCC(=O)[O-].CCCCC/C=C/C/C=C/CCCCCCCC(
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count {
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atom-chiral-def 0,
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bond-chiral 4,
bond-chiral-def 4,
bond-chiral-undef 0,
isotope-atom 0,
covalent-unit 3,
tautomers -1
}
}
}