4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
type: datablock
datablock name: 5ES
has chem comp category: chem compCategory
has chem comp atom category: chem comp atomCategory
has chem comp bond category: chem comp bondCategory
has pdbx chem comp audit category: pdbx chem comp auditCategory
has pdbx chem comp descriptor category: pdbx chem comp descriptorCategory
has pdbx chem comp identifier category: pdbx chem comp identifierCategory

5ES
type: chem comp
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
chem comp.id: 5ES
chem comp.formula: C26 H20 F N O2
chem comp.formula weight: 397.441
chem comp.name: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
chem comp.pdbx ambiguous flag: N
chem comp.pdbx formal charge: 0
chem comp.pdbx ideal coordinates details: Corina
chem comp.pdbx ideal coordinates missing flag: N
chem comp.pdbx initial date: 2015-09-17
chem comp.pdbx model coordinates db code: 5DP0
chem comp.pdbx model coordinates missing flag: N
chem comp.pdbx modified date: 2016-04-29
chem comp.pdbx processing site: RCSB
chem comp.pdbx release status: REL
chem comp.pdbx type: HETAIN
chem comp.three letter code: 5ES
chem comp.type: non-polymer

O01,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: O01
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: O1
chem comp atom.charge: 0
chem comp atom.model cartn x: -1.094
chem comp atom.model cartn y: 13.396
chem comp atom.model cartn z: -27.590
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O01
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.598
chem comp atom.pdbx model cartn y ideal: 4.439
chem comp atom.pdbx model cartn z ideal: 0.100
chem comp atom.pdbx ordinal: 1
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

C02,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: C02
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: C1
chem comp atom.charge: 0
chem comp atom.model cartn x: -0.439
chem comp atom.model cartn y: 12.984
chem comp atom.model cartn z: -26.402
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C02
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.679
chem comp atom.pdbx model cartn y ideal: 3.440
chem comp atom.pdbx model cartn z ideal: 0.155
chem comp atom.pdbx ordinal: 2
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C03,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: C03
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: C2
chem comp atom.charge: 0
chem comp atom.model cartn x: -1.165
chem comp atom.model cartn y: 12.687
chem comp atom.model cartn z: -25.298
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C03
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.286
chem comp atom.pdbx model cartn y ideal: 2.927
chem comp atom.pdbx model cartn z ideal: 1.384
chem comp atom.pdbx ordinal: 3
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C04,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: C04
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: C3
chem comp atom.charge: 0
chem comp atom.model cartn x: -0.511
chem comp atom.model cartn y: 12.275
chem comp atom.model cartn z: -24.108
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C04
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.354
chem comp atom.pdbx model cartn y ideal: 1.913
chem comp atom.pdbx model cartn z ideal: 1.444
chem comp atom.pdbx ordinal: 4
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C05,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: C05
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: C4
chem comp atom.charge: 0
chem comp atom.model cartn x: 0.881
chem comp atom.model cartn y: 12.895
chem comp atom.model cartn z: -26.375
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C05
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.129
chem comp atom.pdbx model cartn y ideal: 2.939
chem comp atom.pdbx model cartn z ideal: -1.018
chem comp atom.pdbx ordinal: 5
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C06,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: C06
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: C5
chem comp atom.charge: 0
chem comp atom.model cartn x: 1.524
chem comp atom.model cartn y: 12.496
chem comp atom.model cartn z: -25.222
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C06
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.196
chem comp atom.pdbx model cartn y ideal: 1.926
chem comp atom.pdbx model cartn z ideal: -0.966
chem comp atom.pdbx ordinal: 6
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C07,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: C07
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: C6
chem comp atom.charge: 0
chem comp atom.model cartn x: 0.774
chem comp atom.model cartn y: 12.191
chem comp atom.model cartn z: -24.086
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C07
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.804
chem comp atom.pdbx model cartn y ideal: 1.403
chem comp atom.pdbx model cartn z ideal: 0.267
chem comp atom.pdbx ordinal: 7
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C08,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: C08
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: C7
chem comp atom.charge: 0
chem comp atom.model cartn x: 1.496
chem comp atom.model cartn y: 11.719
chem comp atom.model cartn z: -22.777
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C08
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.804
chem comp atom.pdbx model cartn y ideal: 0.315
chem comp atom.pdbx model cartn z ideal: 0.327
chem comp atom.pdbx ordinal: 8
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C09,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: C09
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: C8
chem comp atom.charge: 0
chem comp atom.model cartn x: 2.928
chem comp atom.model cartn y: 12.144
chem comp atom.model cartn z: -22.553
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C09
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.121
chem comp atom.pdbx model cartn y ideal: -1.014
chem comp atom.pdbx model cartn z ideal: -0.241
chem comp atom.pdbx ordinal: 9
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C10,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: C10
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: C9
chem comp atom.charge: 0
chem comp atom.model cartn x: 3.950
chem comp atom.model cartn y: 11.191
chem comp atom.model cartn z: -22.529
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C10
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.392
chem comp atom.pdbx model cartn y ideal: -1.503
chem comp atom.pdbx model cartn z ideal: -1.326
chem comp atom.pdbx ordinal: 10
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C11,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: C11
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: C10
chem comp atom.charge: 0
chem comp atom.model cartn x: 5.334
chem comp atom.model cartn y: 11.603
chem comp atom.model cartn z: -22.326
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C11
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.691
chem comp atom.pdbx model cartn y ideal: -2.742
chem comp atom.pdbx model cartn z ideal: -1.853
chem comp atom.pdbx ordinal: 11
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C12,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: C12
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: C11
chem comp atom.charge: 0
chem comp atom.model cartn x: 5.643
chem comp atom.model cartn y: 12.919
chem comp atom.model cartn z: -22.168
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C12
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.716
chem comp atom.pdbx model cartn y ideal: -3.502
chem comp atom.pdbx model cartn z ideal: -1.304
chem comp atom.pdbx ordinal: 12
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

O13,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: O13
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: O2
chem comp atom.charge: 0
chem comp atom.model cartn x: 6.924
chem comp atom.model cartn y: 13.292
chem comp atom.model cartn z: -21.982
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O13
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.007
chem comp atom.pdbx model cartn y ideal: -4.722
chem comp atom.pdbx model cartn z ideal: -1.826
chem comp atom.pdbx ordinal: 13
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

C14,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: C14
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: C12
chem comp atom.charge: 0
chem comp atom.model cartn x: 4.568
chem comp atom.model cartn y: 13.927
chem comp atom.model cartn z: -22.202
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C14
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.443
chem comp atom.pdbx model cartn y ideal: -3.019
chem comp atom.pdbx model cartn z ideal: -0.225
chem comp atom.pdbx ordinal: 14
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C15,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: C15
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: C13
chem comp atom.charge: 0
chem comp atom.model cartn x: 3.260
chem comp atom.model cartn y: 13.538
chem comp atom.model cartn z: -22.390
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C15
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.154
chem comp atom.pdbx model cartn y ideal: -1.779
chem comp atom.pdbx model cartn z ideal: 0.304
chem comp atom.pdbx ordinal: 15
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C16,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: C16
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: C14
chem comp atom.charge: 0
chem comp atom.model cartn x: 0.789
chem comp atom.model cartn y: 10.922
chem comp atom.model cartn z: -21.938
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C16
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.596
chem comp atom.pdbx model cartn y ideal: 0.535
chem comp atom.pdbx model cartn z ideal: 0.902
chem comp atom.pdbx ordinal: 16
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C17,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: C17
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: C15
chem comp atom.charge: 0
chem comp atom.model cartn x: 1.322
chem comp atom.model cartn y: 10.337
chem comp atom.model cartn z: -20.604
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C17
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.338
chem comp atom.pdbx model cartn y ideal: -0.583
chem comp atom.pdbx model cartn z ideal: 1.104
chem comp atom.pdbx ordinal: 17
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C18,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: C18
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: C16
chem comp atom.charge: 0
chem comp atom.model cartn x: 2.045
chem comp atom.model cartn y: 11.121
chem comp atom.model cartn z: -19.689
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C18
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.150
chem comp atom.pdbx model cartn y ideal: -1.867
chem comp atom.pdbx model cartn z ideal: 1.368
chem comp atom.pdbx ordinal: 18
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C19,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: C19
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: C17
chem comp atom.charge: 0
chem comp atom.model cartn x: 2.511
chem comp atom.model cartn y: 10.569
chem comp atom.model cartn z: -18.495
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C19
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.728
chem comp atom.pdbx model cartn y ideal: -2.913
chem comp atom.pdbx model cartn z ideal: 1.557
chem comp atom.pdbx ordinal: 19
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C20,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: C20
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: C18
chem comp atom.charge: 0
chem comp atom.model cartn x: 2.238
chem comp atom.model cartn y: 9.188
chem comp atom.model cartn z: -18.188
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C20
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.092
chem comp atom.pdbx model cartn y ideal: -2.699
chem comp atom.pdbx model cartn z ideal: 1.486
chem comp atom.pdbx ordinal: 20
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C21,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: C21
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: C19
chem comp atom.charge: 0
chem comp atom.model cartn x: 1.517
chem comp atom.model cartn y: 8.400
chem comp atom.model cartn z: -19.077
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C21
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.590
chem comp atom.pdbx model cartn y ideal: -1.427
chem comp atom.pdbx model cartn z ideal: 1.223
chem comp atom.pdbx ordinal: 21
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

N22,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: N22
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: N1
chem comp atom.charge: 0
chem comp atom.model cartn x: 1.263
chem comp atom.model cartn y: 7.072
chem comp atom.model cartn z: -18.767
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: N22
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.969
chem comp atom.pdbx model cartn y ideal: -1.217
chem comp atom.pdbx model cartn z ideal: 1.153
chem comp atom.pdbx ordinal: 22
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

C23,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: C23
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: C20
chem comp atom.charge: 0
chem comp atom.model cartn x: 0.945
chem comp atom.model cartn y: 6.125
chem comp atom.model cartn z: -19.816
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C23
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.477
chem comp atom.pdbx model cartn y ideal: -0.150
chem comp atom.pdbx model cartn z ideal: 0.404
chem comp atom.pdbx ordinal: 23
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C24,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: C24
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: C21
chem comp atom.charge: 0
chem comp atom.model cartn x: 2.008
chem comp atom.model cartn y: 5.459
chem comp atom.model cartn z: -20.526
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C24
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.824
chem comp atom.pdbx model cartn y ideal: 0.262
chem comp atom.pdbx model cartn z ideal: -0.750
chem comp atom.pdbx ordinal: 24
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C25,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: C25
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: C22
chem comp atom.charge: 0
chem comp atom.model cartn x: 1.719
chem comp atom.model cartn y: 4.573
chem comp atom.model cartn z: -21.514
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C25
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.327
chem comp atom.pdbx model cartn y ideal: 1.316
chem comp atom.pdbx model cartn z ideal: -1.488
chem comp atom.pdbx ordinal: 25
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C26,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: C26
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: C23
chem comp atom.charge: 0
chem comp atom.model cartn x: 0.432
chem comp atom.model cartn y: 4.313
chem comp atom.model cartn z: -21.831
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C26
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.482
chem comp atom.pdbx model cartn y ideal: 1.960
chem comp atom.pdbx model cartn z ideal: -1.078
chem comp atom.pdbx ordinal: 26
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

F27,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: F27
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: F1
chem comp atom.charge: 0
chem comp atom.model cartn x: 0.156
chem comp atom.model cartn y: 3.459
chem comp atom.model cartn z: -22.783
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: F27
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.973
chem comp atom.pdbx model cartn y ideal: 2.990
chem comp atom.pdbx model cartn z ideal: -1.802
chem comp atom.pdbx ordinal: 27
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: F

C28,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: C28
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: C24
chem comp atom.charge: 0
chem comp atom.model cartn x: -0.650
chem comp atom.model cartn y: 4.982
chem comp atom.model cartn z: -21.114
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C28
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.135
chem comp atom.pdbx model cartn y ideal: 1.550
chem comp atom.pdbx model cartn z ideal: 0.072
chem comp atom.pdbx ordinal: 28
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C29,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: C29
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: C25
chem comp atom.charge: 0
chem comp atom.model cartn x: -0.366
chem comp atom.model cartn y: 5.863
chem comp atom.model cartn z: -20.133
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C29
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.638
chem comp atom.pdbx model cartn y ideal: 0.494
chem comp atom.pdbx model cartn z ideal: 0.810
chem comp atom.pdbx ordinal: 29
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C30,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: C30
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: C26
chem comp atom.charge: 0
chem comp atom.model cartn x: 1.048
chem comp atom.model cartn y: 8.952
chem comp atom.model cartn z: -20.285
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C30
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.717
chem comp atom.pdbx model cartn y ideal: -0.366
chem comp atom.pdbx model cartn z ideal: 1.037
chem comp atom.pdbx ordinal: 30
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

H1,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: H1
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: H1
chem comp atom.charge: 0
chem comp atom.model cartn x: -2.033
chem comp atom.model cartn y: 13.408
chem comp atom.model cartn z: -27.446
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H1
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.216
chem comp atom.pdbx model cartn y ideal: 5.327
chem comp atom.pdbx model cartn z ideal: 0.132
chem comp atom.pdbx ordinal: 31
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H2,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: H2
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: H2
chem comp atom.charge: 0
chem comp atom.model cartn x: -2.242
chem comp atom.model cartn y: 12.764
chem comp atom.model cartn z: -25.323
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H2
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.713
chem comp atom.pdbx model cartn y ideal: 3.322
chem comp atom.pdbx model cartn z ideal: 2.295
chem comp atom.pdbx ordinal: 32
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H3,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: H3
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: H3
chem comp atom.charge: 0
chem comp atom.model cartn x: -1.087
chem comp atom.model cartn y: 12.034
chem comp atom.model cartn z: -23.227
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H3
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.050
chem comp atom.pdbx model cartn y ideal: 1.514
chem comp atom.pdbx model cartn z ideal: 2.401
chem comp atom.pdbx ordinal: 33
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H4,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: H4
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: H4
chem comp atom.charge: 0
chem comp atom.model cartn x: 1.456
chem comp atom.model cartn y: 13.135
chem comp atom.model cartn z: -27.257
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H4
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.433
chem comp atom.pdbx model cartn y ideal: 3.344
chem comp atom.pdbx model cartn z ideal: -1.972
chem comp atom.pdbx ordinal: 34
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H5,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: H5
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: H5
chem comp atom.charge: 0
chem comp atom.model cartn x: 2.601
chem comp atom.model cartn y: 12.420
chem comp atom.model cartn z: -25.199
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H5
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.769
chem comp atom.pdbx model cartn y ideal: 1.538
chem comp atom.pdbx model cartn z ideal: -1.879
chem comp atom.pdbx ordinal: 35
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H6,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: H6
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: H6
chem comp atom.charge: 0
chem comp atom.model cartn x: 3.714
chem comp atom.model cartn y: 10.145
chem comp atom.model cartn z: -22.661
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H6
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.595
chem comp atom.pdbx model cartn y ideal: -0.913
chem comp atom.pdbx model cartn z ideal: -1.753
chem comp atom.pdbx ordinal: 36
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H7,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: H7
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: H7
chem comp atom.charge: 0
chem comp atom.model cartn x: 6.118
chem comp atom.model cartn y: 10.860
chem comp atom.model cartn z: -22.301
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H7
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.128
chem comp atom.pdbx model cartn y ideal: -3.121
chem comp atom.pdbx model cartn z ideal: -2.692
chem comp atom.pdbx ordinal: 37
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H8,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: H8
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: H8
chem comp atom.charge: 0
chem comp atom.model cartn x: 6.969
chem comp atom.model cartn y: 14.236
chem comp atom.model cartn z: -21.890
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H8
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.668
chem comp atom.pdbx model cartn y ideal: -4.701
chem comp atom.pdbx model cartn z ideal: -2.532
chem comp atom.pdbx ordinal: 38
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H9,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: H9
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: H9
chem comp atom.charge: 0
chem comp atom.model cartn x: 4.806
chem comp atom.model cartn y: 14.973
chem comp atom.model cartn z: -22.079
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H9
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.239
chem comp atom.pdbx model cartn y ideal: -3.613
chem comp atom.pdbx model cartn z ideal: 0.199
chem comp atom.pdbx ordinal: 39
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H10,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: H10
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: H10
chem comp atom.charge: 0
chem comp atom.model cartn x: 2.478
chem comp atom.model cartn y: 14.282
chem comp atom.model cartn z: -22.416
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H10
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.722
chem comp atom.pdbx model cartn y ideal: -1.402
chem comp atom.pdbx model cartn z ideal: 1.141
chem comp atom.pdbx ordinal: 40
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H11,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: H11
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: H11
chem comp atom.charge: 0
chem comp atom.model cartn x: -0.224
chem comp atom.model cartn y: 10.675
chem comp atom.model cartn z: -22.221
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H11
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.319
chem comp atom.pdbx model cartn y ideal: 1.532
chem comp atom.pdbx model cartn z ideal: 1.212
chem comp atom.pdbx ordinal: 41
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H12,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: H12
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: H12
chem comp atom.charge: 0
chem comp atom.model cartn x: 2.242
chem comp atom.model cartn y: 12.159
chem comp atom.model cartn z: -19.912
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H12
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.215
chem comp atom.pdbx model cartn y ideal: -2.039
chem comp atom.pdbx model cartn z ideal: 1.424
chem comp atom.pdbx ordinal: 42
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H13,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: H13
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: H13
chem comp atom.charge: 0
chem comp atom.model cartn x: 3.075
chem comp atom.model cartn y: 11.176
chem comp atom.model cartn z: -17.802
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H13
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.349
chem comp atom.pdbx model cartn y ideal: -3.904
chem comp atom.pdbx model cartn z ideal: 1.761
chem comp atom.pdbx ordinal: 43
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H14,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: H14
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: H14
chem comp atom.charge: 0
chem comp atom.model cartn x: 2.596
chem comp atom.model cartn y: 8.763
chem comp atom.model cartn z: -17.262
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H14
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.775
chem comp atom.pdbx model cartn y ideal: -3.523
chem comp atom.pdbx model cartn z ideal: 1.634
chem comp atom.pdbx ordinal: 44
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H15,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: H15
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: H15
chem comp atom.charge: 0
chem comp atom.model cartn x: 1.300
chem comp atom.model cartn y: 6.767
chem comp atom.model cartn z: -17.815
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H15
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.575
chem comp atom.pdbx model cartn y ideal: -1.811
chem comp atom.pdbx model cartn z ideal: 1.623
chem comp atom.pdbx ordinal: 45
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H16,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: H16
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: H16
chem comp atom.charge: 0
chem comp atom.model cartn x: 3.037
chem comp atom.model cartn y: 5.665
chem comp atom.model cartn z: -20.272
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H16
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.922
chem comp atom.pdbx model cartn y ideal: -0.240
chem comp atom.pdbx model cartn z ideal: -1.070
chem comp atom.pdbx ordinal: 46
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H17,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: H17
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: H17
chem comp atom.charge: 0
chem comp atom.model cartn x: 2.517
chem comp atom.model cartn y: 4.077
chem comp atom.model cartn z: -22.046
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H17
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.819
chem comp atom.pdbx model cartn y ideal: 1.638
chem comp atom.pdbx model cartn z ideal: -2.385
chem comp atom.pdbx ordinal: 47
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H18,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: H18
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: H18
chem comp atom.charge: 0
chem comp atom.model cartn x: -1.678
chem comp atom.model cartn y: 4.771
chem comp atom.model cartn z: -21.369
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H18
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -7.036
chem comp atom.pdbx model cartn y ideal: 2.055
chem comp atom.pdbx model cartn z ideal: 0.390
chem comp atom.pdbx ordinal: 48
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H19,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: H19
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: H19
chem comp atom.charge: 0
chem comp atom.model cartn x: -1.164
chem comp atom.model cartn y: 6.359
chem comp atom.model cartn z: -19.600
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H19
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.148
chem comp atom.pdbx model cartn y ideal: 0.175
chem comp atom.pdbx model cartn z ideal: 1.707
chem comp atom.pdbx ordinal: 49
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H20,5ES
type: chem comp atom
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
chem comp atom.atom id: H20
chem comp atom.comp id: 5ES
chem comp atom.alt atom id: H20
chem comp atom.charge: 0
chem comp atom.model cartn x: 0.483
chem comp atom.model cartn y: 8.341
chem comp atom.model cartn z: -20.974
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H20
chem comp atom.pdbx component comp id: 5ES
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.101
chem comp atom.pdbx model cartn y ideal: 0.623
chem comp atom.pdbx model cartn z ideal: 0.838
chem comp atom.pdbx ordinal: 50
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

O01,C02,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: O01
chem comp bond.atom id 2: C02
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 1
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C02,C05,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C02
chem comp bond.atom id 2: C05
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 2
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C02,C03,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C02
chem comp bond.atom id 2: C03
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 3
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C05,C06,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C05
chem comp bond.atom id 2: C06
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 4
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C03,C04,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C03
chem comp bond.atom id 2: C04
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 5
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C06,C07,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C06
chem comp bond.atom id 2: C07
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 6
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C04,C07,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C04
chem comp bond.atom id 2: C07
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 7
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C07,C08,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C07
chem comp bond.atom id 2: C08
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 8
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

F27,C26,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: F27
chem comp bond.atom id 2: C26
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 9
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C08,C09,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C08
chem comp bond.atom id 2: C09
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 10
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C08,C16,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C08
chem comp bond.atom id 2: C16
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 11
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C09,C10,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C09
chem comp bond.atom id 2: C10
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 12
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C09,C15,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C09
chem comp bond.atom id 2: C15
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 13
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C10,C11,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: C11
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 14
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C15,C14,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: C14
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 15
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C11,C12,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: C12
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 16
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C14,C12,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: C12
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 17
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C12,O13,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: O13
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 18
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C16,C17,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: C17
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 19
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C26,C25,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C26
chem comp bond.atom id 2: C25
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 20
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C26,C28,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C26
chem comp bond.atom id 2: C28
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 21
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C25,C24,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C25
chem comp bond.atom id 2: C24
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 22
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C28,C29,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C28
chem comp bond.atom id 2: C29
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 23
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C17,C30,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: C30
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 24
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C17,C18,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: C18
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 25
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C24,C23,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C24
chem comp bond.atom id 2: C23
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 26
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C30,C21,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C30
chem comp bond.atom id 2: C21
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 27
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C29,C23,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C29
chem comp bond.atom id 2: C23
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 28
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C23,N22,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C23
chem comp bond.atom id 2: N22
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 29
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C18,C19,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: C19
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 30
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C21,N22,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: N22
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 31
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C21,C20,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: C20
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 32
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C19,C20,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: C20
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 33
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

O01,H1,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: O01
chem comp bond.atom id 2: H1
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 34
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C03,H2,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C03
chem comp bond.atom id 2: H2
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 35
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C04,H3,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C04
chem comp bond.atom id 2: H3
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 36
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C05,H4,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C05
chem comp bond.atom id 2: H4
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 37
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C06,H5,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C06
chem comp bond.atom id 2: H5
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 38
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C10,H6,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: H6
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 39
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C11,H7,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: H7
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 40
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

O13,H8,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: O13
chem comp bond.atom id 2: H8
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 41
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C14,H9,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: H9
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 42
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C15,H10,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: H10
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 43
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C16,H11,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: H11
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 44
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C18,H12,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: H12
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 45
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C19,H13,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: H13
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 46
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C20,H14,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: H14
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 47
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N22,H15,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: N22
chem comp bond.atom id 2: H15
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 48
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C24,H16,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C24
chem comp bond.atom id 2: H16
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 49
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C25,H17,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C25
chem comp bond.atom id 2: H17
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 50
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C28,H18,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C28
chem comp bond.atom id 2: H18
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 51
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C29,H19,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C29
chem comp bond.atom id 2: H19
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 52
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C30,H20,5ES
type: chem comp bond
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/5ES/chem_comp_atom/,
chem comp bond.atom id 1: C30
chem comp bond.atom id 2: H20
chem comp bond.comp id: 5ES
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 53
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

Create component,5ES,2015-09-17
type: pdbx chem comp audit
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
pdbx chem comp audit.action type: Create component
pdbx chem comp audit.comp id: 5ES
pdbx chem comp audit.date: 2015-09-17
pdbx chem comp audit.processing site: RCSB

Initial release,5ES,2016-05-04
type: pdbx chem comp audit
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
pdbx chem comp audit.action type: Initial release
pdbx chem comp audit.comp id: 5ES
pdbx chem comp audit.date: 2016-05-04
pdbx chem comp audit.processing site: RCSB

5ES,ACDLabs,12.01,SMILES
type: pdbx chem comp descriptor
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 5ES
pdbx chem comp descriptor.program: ACDLabs
pdbx chem comp descriptor.program version: 12.01
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: Oc1ccc(cc1)/C(c2ccc(O)cc2)=C/c3cc(ccc3)Nc4ccc(cc4)F

5ES,InChI,1.03,InChI
type: pdbx chem comp descriptor
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 5ES
pdbx chem comp descriptor.program: InChI
pdbx chem comp descriptor.program version: 1.03
pdbx chem comp descriptor.type: InChI
pdbx chem comp descriptor.descriptor: InChI=1S/C26H20FNO2/c27-21-8-10-22(11-9-21)28-23-3-1-2-18(16-23)17-26(19-4-12-24(29)13-5-19)20-6-14-25(30)15-7-20/h1-17,28-30H

5ES,InChI,1.03,InChIKey
type: pdbx chem comp descriptor
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 5ES
pdbx chem comp descriptor.program: InChI
pdbx chem comp descriptor.program version: 1.03
pdbx chem comp descriptor.type: InChIKey
pdbx chem comp descriptor.descriptor: PJUDSSOOWSZVCM-UHFFFAOYSA-N

5ES,CACTVS,3.385,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 5ES
pdbx chem comp descriptor.program: CACTVS
pdbx chem comp descriptor.program version: 3.385
pdbx chem comp descriptor.type: SMILES_CANONICAL
pdbx chem comp descriptor.descriptor: Oc1ccc(cc1)C(=Cc2cccc(Nc3ccc(F)cc3)c2)c4ccc(O)cc4

5ES,CACTVS,3.385,SMILES
type: pdbx chem comp descriptor
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 5ES
pdbx chem comp descriptor.program: CACTVS
pdbx chem comp descriptor.program version: 3.385
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: Oc1ccc(cc1)C(=Cc2cccc(Nc3ccc(F)cc3)c2)c4ccc(O)cc4

5ES,OpenEye OEToolkits,1.9.2,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 5ES
pdbx chem comp descriptor.program: OpenEye OEToolkits
pdbx chem comp descriptor.program version: 1.9.2
pdbx chem comp descriptor.type: SMILES_CANONICAL
pdbx chem comp descriptor.descriptor: c1cc(cc(c1)Nc2ccc(cc2)F)C=C(c3ccc(cc3)O)c4ccc(cc4)O

5ES,OpenEye OEToolkits,1.9.2,SMILES
type: pdbx chem comp descriptor
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 5ES
pdbx chem comp descriptor.program: OpenEye OEToolkits
pdbx chem comp descriptor.program version: 1.9.2
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: c1cc(cc(c1)Nc2ccc(cc2)F)C=C(c3ccc(cc3)O)c4ccc(cc4)O

5ES,ACDLabs,12.01,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: 5ES
pdbx chem comp identifier.program: ACDLabs
pdbx chem comp identifier.program version: 12.01
pdbx chem comp identifier.type: SYSTEMATIC NAME
pdbx chem comp identifier.identifier: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol

5ES,OpenEye OEToolkits,1.9.2,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: 5ES
pdbx chem comp identifier.program: OpenEye OEToolkits
pdbx chem comp identifier.program version: 1.9.2
pdbx chem comp identifier.type: SYSTEMATIC NAME
pdbx chem comp identifier.identifier: 4-[2-[3-[(4-fluorophenyl)amino]phenyl]-1-(4-hydroxyphenyl)ethenyl]phenol