PC-Compounds ::= {
{
id {
id cid 57325412
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atoms {
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},
stereo {
planar {
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ltop 9,
lbottom 97,
right 16,
rtop 101,
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parity opposite,
type planar
},
planar {
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rtop 105,
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parity opposite,
type planar
},
planar {
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parity opposite,
type planar
},
planar {
left 22,
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right 24,
rtop 111,
rbottom 25,
parity opposite,
type planar
},
planar {
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right 42,
rtop 137,
rbottom 28,
parity opposite,
type planar
},
planar {
left 35,
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right 45,
rtop 141,
rbottom 32,
parity opposite,
type planar
},
planar {
left 36,
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right 44,
rtop 140,
rbottom 31,
parity opposite,
type planar
},
planar {
left 39,
ltop 29,
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right 48,
rtop 143,
rbottom 40,
parity opposite,
type planar
},
planar {
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right 47,
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rbottom 34,
parity opposite,
type planar
},
planar {
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parity opposite,
type planar
},
planar {
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parity opposite,
type planar
},
planar {
left 56,
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rtop 175,
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parity opposite,
type planar
},
planar {
left 64,
ltop 55,
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right 66,
rtop 73,
rbottom 68,
parity opposite,
type planar
}
},
coords {
{
type {
twod,
computed,
units-unknown
},
aid {
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conformers {
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value binary '00000371F07C38000000000000000000000000000000000000002040
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value sval "2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,
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value sval "2-[(2E,6E,10E,14E,18E,2
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value sval "2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,
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value sval "2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,
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value sval "2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,
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datatype string,
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value sval "InChI=1S/C59H90O4.C20H30O/c1-44(2)24-15-25-45(3)26-16-27-4
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},
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value sval "YEVGTQWCKJFERA-IZOHGFNHSA-N"
},
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value sval "1148.91357692"
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value sval "C79H120O5"
},
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value sval "1149.8"
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value sval "CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C.CC1=C(C(=O)C
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value fval { 728, 10, -1 }
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value sval "1148.91357692"
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count {
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bond-chiral-undef 0,
isotope-atom 0,
covalent-unit 2,
tautomers -1
}
}
}