(1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
type: datablock
datablock name: WIP
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

WIP
type: chem comp
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
chem comp.id: WIP
chem comp.formula: C21 H16 O6
chem comp.formula weight: 364.348
chem comp.name: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
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: 2023-05-14
chem comp.pdbx model coordinates db code: 8SQF
chem comp.pdbx model coordinates missing flag: N
chem comp.pdbx modified date: 2023-12-29
chem comp.pdbx processing site: RCSB
chem comp.pdbx release status: REL
chem comp.pdbx type: HETAIN
chem comp.three letter code: WIP
chem comp.type: non-polymer

C15,WIP
type: chem comp atom
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C15
chem comp atom.comp id: WIP
chem comp atom.alt atom id: C1
chem comp atom.charge: 0
chem comp atom.model cartn x: 54.190
chem comp atom.model cartn y: -12.596
chem comp atom.model cartn z: -1.221
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C15
chem comp atom.pdbx component comp id: WIP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.044
chem comp atom.pdbx model cartn y ideal: -1.419
chem comp atom.pdbx model cartn z ideal: -0.003
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 1
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C17,WIP
type: chem comp atom
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C17
chem comp atom.comp id: WIP
chem comp atom.alt atom id: C2
chem comp atom.charge: 0
chem comp atom.model cartn x: 52.080
chem comp atom.model cartn y: -13.462
chem comp atom.model cartn z: -0.327
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C17
chem comp atom.pdbx component comp id: WIP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 6.034
chem comp atom.pdbx model cartn y ideal: -1.994
chem comp atom.pdbx model cartn z ideal: 1.197
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 2
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C20,WIP
type: chem comp atom
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C20
chem comp atom.comp id: WIP
chem comp atom.alt atom id: C3
chem comp atom.charge: 0
chem comp atom.model cartn x: 53.533
chem comp atom.model cartn y: -11.376
chem comp atom.model cartn z: -1.435
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C20
chem comp atom.pdbx component comp id: WIP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.709
chem comp atom.pdbx model cartn y ideal: -1.612
chem comp atom.pdbx model cartn z ideal: -1.199
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 3
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C21,WIP
type: chem comp atom
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C21
chem comp atom.comp id: WIP
chem comp atom.alt atom id: C4
chem comp atom.charge: 0
chem comp atom.model cartn x: 54.612
chem comp atom.model cartn y: -12.429
chem comp atom.model cartn z: -4.511
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C21
chem comp atom.pdbx component comp id: WIP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.145
chem comp atom.pdbx model cartn y ideal: 0.134
chem comp atom.pdbx model cartn z ideal: -0.009
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 4
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C22,WIP
type: chem comp atom
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C22
chem comp atom.comp id: WIP
chem comp atom.alt atom id: C5
chem comp atom.charge: 0
chem comp atom.model cartn x: 52.892
chem comp atom.model cartn y: -12.540
chem comp atom.model cartn z: -7.737
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C22
chem comp atom.pdbx component comp id: WIP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.599
chem comp atom.pdbx model cartn y ideal: 0.372
chem comp atom.pdbx model cartn z ideal: -0.005
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 5
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C24,WIP
type: chem comp atom
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C24
chem comp atom.comp id: WIP
chem comp atom.alt atom id: C6
chem comp atom.charge: 0
chem comp atom.model cartn x: 51.631
chem comp atom.model cartn y: -12.071
chem comp atom.model cartn z: -9.848
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C24
chem comp atom.pdbx component comp id: WIP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.075
chem comp atom.pdbx model cartn y ideal: 0.128
chem comp atom.pdbx model cartn z ideal: -0.001
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 6
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C02,WIP
type: chem comp atom
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C02
chem comp atom.comp id: WIP
chem comp atom.alt atom id: C7
chem comp atom.charge: 0
chem comp atom.model cartn x: 50.581
chem comp atom.model cartn y: -12.419
chem comp atom.model cartn z: -6.263
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C02
chem comp atom.pdbx component comp id: WIP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.284
chem comp atom.pdbx model cartn y ideal: -2.395
chem comp atom.pdbx model cartn z ideal: -0.010
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 7
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C03,WIP
type: chem comp atom
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C03
chem comp atom.comp id: WIP
chem comp atom.alt atom id: C8
chem comp atom.charge: 0
chem comp atom.model cartn x: 51.803
chem comp atom.model cartn y: -12.676
chem comp atom.model cartn z: -5.619
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C03
chem comp atom.pdbx component comp id: WIP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.170
chem comp atom.pdbx model cartn y ideal: -1.571
chem comp atom.pdbx model cartn z ideal: -0.016
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 8
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C04,WIP
type: chem comp atom
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C04
chem comp atom.comp id: WIP
chem comp atom.alt atom id: C9
chem comp atom.charge: 0
chem comp atom.model cartn x: 52.996
chem comp atom.model cartn y: -12.764
chem comp atom.model cartn z: -6.373
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C04
chem comp atom.pdbx component comp id: WIP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.324
chem comp atom.pdbx model cartn y ideal: -0.185
chem comp atom.pdbx model cartn z ideal: -0.009
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 9
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C05,WIP
type: chem comp atom
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C05
chem comp atom.comp id: WIP
chem comp atom.alt atom id: C10
chem comp atom.charge: 0
chem comp atom.model cartn x: 54.308
chem comp atom.model cartn y: -12.964
chem comp atom.model cartn z: -5.751
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C05
chem comp atom.pdbx component comp id: WIP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.130
chem comp atom.pdbx model cartn y ideal: 0.694
chem comp atom.pdbx model cartn z ideal: -0.005
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 10
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C06,WIP
type: chem comp atom
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C06
chem comp atom.comp id: WIP
chem comp atom.alt atom id: C11
chem comp atom.charge: 0
chem comp atom.model cartn x: 55.353
chem comp atom.model cartn y: -13.587
chem comp atom.model cartn z: -6.436
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C06
chem comp atom.pdbx component comp id: WIP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.286
chem comp atom.pdbx model cartn y ideal: 2.082
chem comp atom.pdbx model cartn z ideal: 0.002
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 11
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C07,WIP
type: chem comp atom
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C07
chem comp atom.comp id: WIP
chem comp atom.alt atom id: C12
chem comp atom.charge: 0
chem comp atom.model cartn x: 56.612
chem comp atom.model cartn y: -13.697
chem comp atom.model cartn z: -5.837
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C07
chem comp atom.pdbx component comp id: WIP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.193
chem comp atom.pdbx model cartn y ideal: 2.899
chem comp atom.pdbx model cartn z ideal: 0.006
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 12
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C08,WIP
type: chem comp atom
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C08
chem comp atom.comp id: WIP
chem comp atom.alt atom id: C13
chem comp atom.charge: 0
chem comp atom.model cartn x: 56.885
chem comp atom.model cartn y: -13.184
chem comp atom.model cartn z: -4.571
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C08
chem comp atom.pdbx component comp id: WIP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.094
chem comp atom.pdbx model cartn y ideal: 2.351
chem comp atom.pdbx model cartn z ideal: 0.002
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 13
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C09,WIP
type: chem comp atom
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C09
chem comp atom.comp id: WIP
chem comp atom.alt atom id: C14
chem comp atom.charge: 0
chem comp atom.model cartn x: 58.259
chem comp atom.model cartn y: -13.357
chem comp atom.model cartn z: -3.989
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C09
chem comp atom.pdbx component comp id: WIP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.272
chem comp atom.pdbx model cartn y ideal: 3.234
chem comp atom.pdbx model cartn z ideal: 0.006
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 14
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C12,WIP
type: chem comp atom
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C12
chem comp atom.comp id: WIP
chem comp atom.alt atom id: C15
chem comp atom.charge: 0
chem comp atom.model cartn x: 55.862
chem comp atom.model cartn y: -12.534
chem comp atom.model cartn z: -3.915
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C12
chem comp atom.pdbx component comp id: WIP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.259
chem comp atom.pdbx model cartn y ideal: 0.957
chem comp atom.pdbx model cartn z ideal: -0.005
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 15
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C14,WIP
type: chem comp atom
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C14
chem comp atom.comp id: WIP
chem comp atom.alt atom id: C16
chem comp atom.charge: 0
chem comp atom.model cartn x: 55.654
chem comp atom.model cartn y: -12.819
chem comp atom.model cartn z: -1.568
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C14
chem comp atom.pdbx component comp id: WIP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.594
chem comp atom.pdbx model cartn y ideal: -1.008
chem comp atom.pdbx model cartn z ideal: -0.006
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 16
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C16,WIP
type: chem comp atom
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C16
chem comp atom.comp id: WIP
chem comp atom.alt atom id: C17
chem comp atom.charge: 0
chem comp atom.model cartn x: 53.428
chem comp atom.model cartn y: -13.642
chem comp atom.model cartn z: -0.661
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C16
chem comp atom.pdbx component comp id: WIP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.706
chem comp atom.pdbx model cartn y ideal: -1.610
chem comp atom.pdbx model cartn z ideal: 1.195
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 17
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C18,WIP
type: chem comp atom
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C18
chem comp atom.comp id: WIP
chem comp atom.alt atom id: C18
chem comp atom.charge: 0
chem comp atom.model cartn x: 51.438
chem comp atom.model cartn y: -12.230
chem comp atom.model cartn z: -0.552
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C18
chem comp atom.pdbx component comp id: WIP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 6.700
chem comp atom.pdbx model cartn y ideal: -2.186
chem comp atom.pdbx model cartn z ideal: 0.001
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 18
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C19,WIP
type: chem comp atom
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C19
chem comp atom.comp id: WIP
chem comp atom.alt atom id: C19
chem comp atom.charge: 0
chem comp atom.model cartn x: 52.180
chem comp atom.model cartn y: -11.197
chem comp atom.model cartn z: -1.107
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C19
chem comp atom.pdbx component comp id: WIP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 6.038
chem comp atom.pdbx model cartn y ideal: -1.995
chem comp atom.pdbx model cartn z ideal: -1.197
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 19
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C23,WIP
type: chem comp atom
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C23
chem comp atom.comp id: WIP
chem comp atom.alt atom id: C20
chem comp atom.charge: 0
chem comp atom.model cartn x: 51.693
chem comp atom.model cartn y: -12.298
chem comp atom.model cartn z: -8.378
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C23
chem comp atom.pdbx component comp id: WIP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.719
chem comp atom.pdbx model cartn y ideal: -0.459
chem comp atom.pdbx model cartn z ideal: -0.004
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 20
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C27,WIP
type: chem comp atom
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: C27
chem comp atom.comp id: WIP
chem comp atom.alt atom id: C21
chem comp atom.charge: 0
chem comp atom.model cartn x: 50.491
chem comp atom.model cartn y: -12.217
chem comp atom.model cartn z: -7.667
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C27
chem comp atom.pdbx component comp id: WIP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.556
chem comp atom.pdbx model cartn y ideal: -1.846
chem comp atom.pdbx model cartn z ideal: -0.006
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 21
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

O01,WIP
type: chem comp atom
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: O01
chem comp atom.comp id: WIP
chem comp atom.alt atom id: O1
chem comp atom.charge: 0
chem comp atom.model cartn x: 49.436
chem comp atom.model cartn y: -12.367
chem comp atom.model cartn z: -5.482
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: O01
chem comp atom.pdbx component comp id: WIP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.129
chem comp atom.pdbx model cartn y ideal: -3.745
chem comp atom.pdbx model cartn z ideal: -0.017
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 22
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

O10,WIP
type: chem comp atom
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: O10
chem comp atom.comp id: WIP
chem comp atom.alt atom id: O2
chem comp atom.charge: 0
chem comp atom.model cartn x: 58.537
chem comp atom.model cartn y: -14.499
chem comp atom.model cartn z: -3.567
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: O10
chem comp atom.pdbx component comp id: WIP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.112
chem comp atom.pdbx model cartn y ideal: 4.572
chem comp atom.pdbx model cartn z ideal: 0.012
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 23
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

O11,WIP
type: chem comp atom
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: O11
chem comp atom.comp id: WIP
chem comp atom.alt atom id: O3
chem comp atom.charge: 0
chem comp atom.model cartn x: 59.009
chem comp atom.model cartn y: -12.354
chem comp atom.model cartn z: -3.966
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: O11
chem comp atom.pdbx component comp id: WIP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.390
chem comp atom.pdbx model cartn y ideal: 2.756
chem comp atom.pdbx model cartn z ideal: 0.003
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 24
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

O13,WIP
type: chem comp atom
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: O13
chem comp atom.comp id: WIP
chem comp atom.alt atom id: O4
chem comp atom.charge: 0
chem comp atom.model cartn x: 56.078
chem comp atom.model cartn y: -12.009
chem comp atom.model cartn z: -2.657
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: O13
chem comp atom.pdbx component comp id: WIP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.504
chem comp atom.pdbx model cartn y ideal: 0.419
chem comp atom.pdbx model cartn z ideal: -0.003
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 25
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

O25,WIP
type: chem comp atom
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: O25
chem comp atom.comp id: WIP
chem comp atom.alt atom id: O5
chem comp atom.charge: 0
chem comp atom.model cartn x: 50.664
chem comp atom.model cartn y: -11.369
chem comp atom.model cartn z: -10.191
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: O25
chem comp atom.pdbx component comp id: WIP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -7.156
chem comp atom.pdbx model cartn y ideal: -0.676
chem comp atom.pdbx model cartn z ideal: 0.001
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 26
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

O26,WIP
type: chem comp atom
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: O26
chem comp atom.comp id: WIP
chem comp atom.alt atom id: O6
chem comp atom.charge: 0
chem comp atom.model cartn x: 52.557
chem comp atom.model cartn y: -12.555
chem comp atom.model cartn z: -10.600
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: O26
chem comp atom.pdbx component comp id: WIP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.215
chem comp atom.pdbx model cartn y ideal: 1.334
chem comp atom.pdbx model cartn z ideal: 0.001
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 27
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

H1,WIP
type: chem comp atom
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H1
chem comp atom.comp id: WIP
chem comp atom.alt atom id: H1
chem comp atom.charge: 0
chem comp atom.model cartn x: 51.526
chem comp atom.model cartn y: -14.280
chem comp atom.model cartn z: 0.109
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H1
chem comp atom.pdbx component comp id: WIP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 6.551
chem comp atom.pdbx model cartn y ideal: -2.143
chem comp atom.pdbx model cartn z ideal: 2.134
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 28
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H2,WIP
type: chem comp atom
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H2
chem comp atom.comp id: WIP
chem comp atom.alt atom id: H2
chem comp atom.charge: 0
chem comp atom.model cartn x: 54.083
chem comp atom.model cartn y: -10.551
chem comp atom.model cartn z: -1.864
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H2
chem comp atom.pdbx component comp id: WIP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.192
chem comp atom.pdbx model cartn y ideal: -1.463
chem comp atom.pdbx model cartn z ideal: -2.135
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 29
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H3,WIP
type: chem comp atom
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H3
chem comp atom.comp id: WIP
chem comp atom.alt atom id: H3
chem comp atom.charge: 0
chem comp atom.model cartn x: 53.835
chem comp atom.model cartn y: -11.901
chem comp atom.model cartn z: -3.978
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H3
chem comp atom.pdbx component comp id: WIP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.265
chem comp atom.pdbx model cartn y ideal: -0.939
chem comp atom.pdbx model cartn z ideal: -0.010
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 30
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H4,WIP
type: chem comp atom
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H4
chem comp atom.comp id: WIP
chem comp atom.alt atom id: H4
chem comp atom.charge: 0
chem comp atom.model cartn x: 53.795
chem comp atom.model cartn y: -12.556
chem comp atom.model cartn z: -8.329
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H4
chem comp atom.pdbx component comp id: WIP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.721
chem comp atom.pdbx model cartn y ideal: 1.445
chem comp atom.pdbx model cartn z ideal: 0.001
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 31
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H5,WIP
type: chem comp atom
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H5
chem comp atom.comp id: WIP
chem comp atom.alt atom id: H5
chem comp atom.charge: 0
chem comp atom.model cartn x: 51.831
chem comp atom.model cartn y: -12.806
chem comp atom.model cartn z: -4.547
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H5
chem comp atom.pdbx component comp id: WIP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.180
chem comp atom.pdbx model cartn y ideal: -2.003
chem comp atom.pdbx model cartn z ideal: -0.027
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 32
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H6,WIP
type: chem comp atom
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H6
chem comp atom.comp id: WIP
chem comp atom.alt atom id: H6
chem comp atom.charge: 0
chem comp atom.model cartn x: 55.189
chem comp atom.model cartn y: -13.983
chem comp atom.model cartn z: -7.427
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H6
chem comp atom.pdbx component comp id: WIP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.278
chem comp atom.pdbx model cartn y ideal: 2.511
chem comp atom.pdbx model cartn z ideal: 0.004
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 33
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H7,WIP
type: chem comp atom
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H7
chem comp atom.comp id: WIP
chem comp atom.alt atom id: H7
chem comp atom.charge: 0
chem comp atom.model cartn x: 57.402
chem comp atom.model cartn y: -14.198
chem comp atom.model cartn z: -6.376
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H7
chem comp atom.pdbx component comp id: WIP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.322
chem comp atom.pdbx model cartn y ideal: 3.971
chem comp atom.pdbx model cartn z ideal: 0.012
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 34
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H8,WIP
type: chem comp atom
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H8
chem comp atom.comp id: WIP
chem comp atom.alt atom id: H8
chem comp atom.charge: 0
chem comp atom.model cartn x: 55.797
chem comp atom.model cartn y: -13.876
chem comp atom.model cartn z: -1.836
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H8
chem comp atom.pdbx component comp id: WIP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.106
chem comp atom.pdbx model cartn y ideal: -1.401
chem comp atom.pdbx model cartn z ideal: -0.897
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 35
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H9,WIP
type: chem comp atom
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H9
chem comp atom.comp id: WIP
chem comp atom.alt atom id: H9
chem comp atom.charge: 0
chem comp atom.model cartn x: 56.267
chem comp atom.model cartn y: -12.578
chem comp atom.model cartn z: -0.687
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H9
chem comp atom.pdbx component comp id: WIP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.102
chem comp atom.pdbx model cartn y ideal: -1.404
chem comp atom.pdbx model cartn z ideal: 0.883
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 36
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H10,WIP
type: chem comp atom
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H10
chem comp atom.comp id: WIP
chem comp atom.alt atom id: H10
chem comp atom.charge: 0
chem comp atom.model cartn x: 53.893
chem comp atom.model cartn y: -14.601
chem comp atom.model cartn z: -0.486
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H10
chem comp atom.pdbx component comp id: WIP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.186
chem comp atom.pdbx model cartn y ideal: -1.460
chem comp atom.pdbx model cartn z ideal: 2.130
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 37
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H11,WIP
type: chem comp atom
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H11
chem comp atom.comp id: WIP
chem comp atom.alt atom id: H11
chem comp atom.charge: 0
chem comp atom.model cartn x: 50.397
chem comp atom.model cartn y: -12.092
chem comp atom.model cartn z: -0.300
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H11
chem comp atom.pdbx component comp id: WIP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 7.738
chem comp atom.pdbx model cartn y ideal: -2.485
chem comp atom.pdbx model cartn z ideal: 0.003
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 38
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H12,WIP
type: chem comp atom
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H12
chem comp atom.comp id: WIP
chem comp atom.alt atom id: H12
chem comp atom.charge: 0
chem comp atom.model cartn x: 51.710
chem comp atom.model cartn y: -10.242
chem comp atom.model cartn z: -1.289
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H12
chem comp atom.pdbx component comp id: WIP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 6.558
chem comp atom.pdbx model cartn y ideal: -2.146
chem comp atom.pdbx model cartn z ideal: -2.131
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 39
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H13,WIP
type: chem comp atom
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H13
chem comp atom.comp id: WIP
chem comp atom.alt atom id: H13
chem comp atom.charge: 0
chem comp atom.model cartn x: 49.550
chem comp atom.model cartn y: -12.013
chem comp atom.model cartn z: -8.156
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H13
chem comp atom.pdbx component comp id: WIP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.422
chem comp atom.pdbx model cartn y ideal: -2.490
chem comp atom.pdbx model cartn z ideal: -0.005
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 40
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H14,WIP
type: chem comp atom
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H14
chem comp atom.comp id: WIP
chem comp atom.alt atom id: H14
chem comp atom.charge: 0
chem comp atom.model cartn x: 49.665
chem comp atom.model cartn y: -12.521
chem comp atom.model cartn z: -4.573
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H14
chem comp atom.pdbx component comp id: WIP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.076
chem comp atom.pdbx model cartn y ideal: -4.140
chem comp atom.pdbx model cartn z ideal: 0.864
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 41
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H15,WIP
type: chem comp atom
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H15
chem comp atom.comp id: WIP
chem comp atom.alt atom id: H15
chem comp atom.charge: 0
chem comp atom.model cartn x: 59.420
chem comp atom.model cartn y: -14.501
chem comp atom.model cartn z: -3.217
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H15
chem comp atom.pdbx component comp id: WIP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.915
chem comp atom.pdbx model cartn y ideal: 5.110
chem comp atom.pdbx model cartn z ideal: 0.014
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 42
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H16,WIP
type: chem comp atom
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
chem comp atom.atom id: H16
chem comp atom.comp id: WIP
chem comp atom.alt atom id: H16
chem comp atom.charge: 0
chem comp atom.model cartn x: 50.694
chem comp atom.model cartn y: -11.225
chem comp atom.model cartn z: -11.130
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H16
chem comp atom.pdbx component comp id: WIP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -8.022
chem comp atom.pdbx model cartn y ideal: -0.247
chem comp atom.pdbx model cartn z ideal: 0.003
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 43
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

O26,C24,WIP
type: chem comp bond
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/WIP/chem_comp_atom/,
chem comp bond.atom id 1: O26
chem comp bond.atom id 2: C24
chem comp bond.comp id: WIP
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: doub

O25,C24,WIP
type: chem comp bond
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/WIP/chem_comp_atom/,
chem comp bond.atom id 1: O25
chem comp bond.atom id 2: C24
chem comp bond.comp id: WIP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 2
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C24,C23,WIP
type: chem comp bond
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/WIP/chem_comp_atom/,
chem comp bond.atom id 1: C24
chem comp bond.atom id 2: C23
chem comp bond.comp id: WIP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 3
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C23,C22,WIP
type: chem comp bond
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/WIP/chem_comp_atom/,
chem comp bond.atom id 1: C23
chem comp bond.atom id 2: C22
chem comp bond.comp id: WIP
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: doub

C23,C27,WIP
type: chem comp bond
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/WIP/chem_comp_atom/,
chem comp bond.atom id 1: C23
chem comp bond.atom id 2: C27
chem comp bond.comp id: WIP
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: sing

C22,C04,WIP
type: chem comp bond
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/WIP/chem_comp_atom/,
chem comp bond.atom id 1: C22
chem comp bond.atom id 2: C04
chem comp bond.comp id: WIP
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: sing

C27,C02,WIP
type: chem comp bond
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/WIP/chem_comp_atom/,
chem comp bond.atom id 1: C27
chem comp bond.atom id 2: C02
chem comp bond.comp id: WIP
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: doub

C06,C07,WIP
type: chem comp bond
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/WIP/chem_comp_atom/,
chem comp bond.atom id 1: C06
chem comp bond.atom id 2: C07
chem comp bond.comp id: WIP
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 8
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C06,C05,WIP
type: chem comp bond
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/WIP/chem_comp_atom/,
chem comp bond.atom id 1: C06
chem comp bond.atom id 2: C05
chem comp bond.comp id: WIP
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 9
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C04,C05,WIP
type: chem comp bond
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/WIP/chem_comp_atom/,
chem comp bond.atom id 1: C04
chem comp bond.atom id 2: C05
chem comp bond.comp id: WIP
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

C04,C03,WIP
type: chem comp bond
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/WIP/chem_comp_atom/,
chem comp bond.atom id 1: C04
chem comp bond.atom id 2: C03
chem comp bond.comp id: WIP
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 11
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C02,C03,WIP
type: chem comp bond
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/WIP/chem_comp_atom/,
chem comp bond.atom id 1: C02
chem comp bond.atom id 2: C03
chem comp bond.comp id: WIP
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: sing

C02,O01,WIP
type: chem comp bond
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/WIP/chem_comp_atom/,
chem comp bond.atom id 1: C02
chem comp bond.atom id 2: O01
chem comp bond.comp id: WIP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 13
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C07,C08,WIP
type: chem comp bond
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/WIP/chem_comp_atom/,
chem comp bond.atom id 1: C07
chem comp bond.atom id 2: C08
chem comp bond.comp id: WIP
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

C05,C21,WIP
type: chem comp bond
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/WIP/chem_comp_atom/,
chem comp bond.atom id 1: C05
chem comp bond.atom id 2: C21
chem comp bond.comp id: WIP
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

C08,C09,WIP
type: chem comp bond
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/WIP/chem_comp_atom/,
chem comp bond.atom id 1: C08
chem comp bond.atom id 2: C09
chem comp bond.comp id: WIP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 16
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C08,C12,WIP
type: chem comp bond
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/WIP/chem_comp_atom/,
chem comp bond.atom id 1: C08
chem comp bond.atom id 2: C12
chem comp bond.comp id: WIP
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: doub

C21,C12,WIP
type: chem comp bond
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/WIP/chem_comp_atom/,
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: C12
chem comp bond.comp id: WIP
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 18
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C09,O11,WIP
type: chem comp bond
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/WIP/chem_comp_atom/,
chem comp bond.atom id 1: C09
chem comp bond.atom id 2: O11
chem comp bond.comp id: WIP
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: doub

C09,O10,WIP
type: chem comp bond
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/WIP/chem_comp_atom/,
chem comp bond.atom id 1: C09
chem comp bond.atom id 2: O10
chem comp bond.comp id: WIP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 20
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C12,O13,WIP
type: chem comp bond
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/WIP/chem_comp_atom/,
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: O13
chem comp bond.comp id: WIP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 21
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

O13,C14,WIP
type: chem comp bond
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/WIP/chem_comp_atom/,
chem comp bond.atom id 1: O13
chem comp bond.atom id 2: C14
chem comp bond.comp id: WIP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 22
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C14,C15,WIP
type: chem comp bond
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/WIP/chem_comp_atom/,
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: C15
chem comp bond.comp id: WIP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 23
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C20,C15,WIP
type: chem comp bond
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/WIP/chem_comp_atom/,
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: C15
chem comp bond.comp id: WIP
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

C20,C19,WIP
type: chem comp bond
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/WIP/chem_comp_atom/,
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: C19
chem comp bond.comp id: WIP
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

C15,C16,WIP
type: chem comp bond
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/WIP/chem_comp_atom/,
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: C16
chem comp bond.comp id: WIP
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: sing

C19,C18,WIP
type: chem comp bond
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/WIP/chem_comp_atom/,
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: C18
chem comp bond.comp id: WIP
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: doub

C16,C17,WIP
type: chem comp bond
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/WIP/chem_comp_atom/,
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: C17
chem comp bond.comp id: WIP
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: doub

C18,C17,WIP
type: chem comp bond
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/WIP/chem_comp_atom/,
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: C17
chem comp bond.comp id: WIP
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 29
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C17,H1,WIP
type: chem comp bond
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/WIP/chem_comp_atom/,
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: H1
chem comp bond.comp id: WIP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 30
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C20,H2,WIP
type: chem comp bond
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/WIP/chem_comp_atom/,
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: H2
chem comp bond.comp id: WIP
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,H3,WIP
type: chem comp bond
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/WIP/chem_comp_atom/,
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: H3
chem comp bond.comp id: WIP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 32
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C22,H4,WIP
type: chem comp bond
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/WIP/chem_comp_atom/,
chem comp bond.atom id 1: C22
chem comp bond.atom id 2: H4
chem comp bond.comp id: WIP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 33
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C03,H5,WIP
type: chem comp bond
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/WIP/chem_comp_atom/,
chem comp bond.atom id 1: C03
chem comp bond.atom id 2: H5
chem comp bond.comp id: WIP
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

C06,H6,WIP
type: chem comp bond
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/WIP/chem_comp_atom/,
chem comp bond.atom id 1: C06
chem comp bond.atom id 2: H6
chem comp bond.comp id: WIP
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

C07,H7,WIP
type: chem comp bond
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/WIP/chem_comp_atom/,
chem comp bond.atom id 1: C07
chem comp bond.atom id 2: H7
chem comp bond.comp id: WIP
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

C14,H8,WIP
type: chem comp bond
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/WIP/chem_comp_atom/,
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: H8
chem comp bond.comp id: WIP
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

C14,H9,WIP
type: chem comp bond
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/WIP/chem_comp_atom/,
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: H9
chem comp bond.comp id: WIP
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

C16,H10,WIP
type: chem comp bond
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/WIP/chem_comp_atom/,
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: H10
chem comp bond.comp id: WIP
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

C18,H11,WIP
type: chem comp bond
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/WIP/chem_comp_atom/,
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: H11
chem comp bond.comp id: WIP
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

C19,H12,WIP
type: chem comp bond
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/WIP/chem_comp_atom/,
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: H12
chem comp bond.comp id: WIP
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

C27,H13,WIP
type: chem comp bond
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/WIP/chem_comp_atom/,
chem comp bond.atom id 1: C27
chem comp bond.atom id 2: H13
chem comp bond.comp id: WIP
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

O01,H14,WIP
type: chem comp bond
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/WIP/chem_comp_atom/,
chem comp bond.atom id 1: O01
chem comp bond.atom id 2: H14
chem comp bond.comp id: WIP
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

O10,H15,WIP
type: chem comp bond
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/WIP/chem_comp_atom/,
chem comp bond.atom id 1: O10
chem comp bond.atom id 2: H15
chem comp bond.comp id: WIP
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

O25,H16,WIP
type: chem comp bond
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/WIP/chem_comp_atom/,
chem comp bond.atom id 1: O25
chem comp bond.atom id 2: H16
chem comp bond.comp id: WIP
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

Create component,WIP,2023-05-14
type: pdbx chem comp audit
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
pdbx chem comp audit.action type: Create component
pdbx chem comp audit.comp id: WIP
pdbx chem comp audit.date: 2023-05-14
pdbx chem comp audit.processing site: RCSB

Initial release,WIP,2024-01-03
type: pdbx chem comp audit
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
pdbx chem comp audit.action type: Initial release
pdbx chem comp audit.comp id: WIP
pdbx chem comp audit.date: 2024-01-03
pdbx chem comp audit.processing site: RCSB

WIP,ACDLabs,12.01,SMILES
type: pdbx chem comp descriptor
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: WIP
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: O=C(O)c1cc(cc(O)c1)c1cc(OCc2ccccc2)c(cc1)C(=O)O

WIP,InChI,1.06,InChI
type: pdbx chem comp descriptor
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: WIP
pdbx chem comp descriptor.program: InChI
pdbx chem comp descriptor.program version: 1.06
pdbx chem comp descriptor.type: InChI
pdbx chem comp descriptor.descriptor: InChI=1S/C21H16O6/c22-17-9-15(8-16(10-17)20(23)24)14-6-7-18(21(25)26)19(11-14)27-12-13-4-2-1-3-5-13/h1-11,22H,12H2,(H,23,24)(H,25,26)

WIP,InChI,1.06,InChIKey
type: pdbx chem comp descriptor
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: WIP
pdbx chem comp descriptor.program: InChI
pdbx chem comp descriptor.program version: 1.06
pdbx chem comp descriptor.type: InChIKey
pdbx chem comp descriptor.descriptor: FJNFFUWJFGQZFB-UHFFFAOYSA-N

WIP,CACTVS,3.385,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: WIP
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: OC(=O)c1cc(O)cc(c1)c2ccc(C(O)=O)c(OCc3ccccc3)c2

WIP,CACTVS,3.385,SMILES
type: pdbx chem comp descriptor
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: WIP
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: OC(=O)c1cc(O)cc(c1)c2ccc(C(O)=O)c(OCc3ccccc3)c2

WIP,OpenEye OEToolkits,2.0.7,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: WIP
pdbx chem comp descriptor.program: OpenEye OEToolkits
pdbx chem comp descriptor.program version: 2.0.7
pdbx chem comp descriptor.type: SMILES_CANONICAL
pdbx chem comp descriptor.descriptor: c1ccc(cc1)COc2cc(ccc2C(=O)O)c3cc(cc(c3)O)C(=O)O

WIP,OpenEye OEToolkits,2.0.7,SMILES
type: pdbx chem comp descriptor
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: WIP
pdbx chem comp descriptor.program: OpenEye OEToolkits
pdbx chem comp descriptor.program version: 2.0.7
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: c1ccc(cc1)COc2cc(ccc2C(=O)O)c3cc(cc(c3)O)C(=O)O

WIP,ACDLabs,12.01,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: WIP
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: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid

WIP,OpenEye OEToolkits,2.0.7,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: WIP
pdbx chem comp identifier.program: OpenEye OEToolkits
pdbx chem comp identifier.program version: 2.0.7
pdbx chem comp identifier.type: SYSTEMATIC NAME
pdbx chem comp identifier.identifier: 4-(3-carboxy-5-oxidanyl-phenyl)-2-phenylmethoxy-benzoic acid