{5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
type: datablock
datablock name: M15
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

M15
type: chem comp
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
chem comp.id: M15
chem comp.formula: C16 H12 Cl F I N O4
chem comp.formula weight: 463.627
chem comp.name: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic 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: 2013-07-16
chem comp.pdbx model coordinates db code: 4LB3
chem comp.pdbx model coordinates missing flag: N
chem comp.pdbx modified date: 2014-04-25
chem comp.pdbx processing site: RCSB
chem comp.pdbx release status: REL
chem comp.pdbx type: HETAIN
chem comp.three letter code: M15
chem comp.type: non-polymer

F24,M15
type: chem comp atom
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
chem comp atom.atom id: F24
chem comp atom.comp id: M15
chem comp atom.alt atom id: F24
chem comp atom.charge: 0
chem comp atom.model cartn x: 4.186
chem comp atom.model cartn y: -3.974
chem comp atom.model cartn z: 11.372
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: F24
chem comp atom.pdbx component comp id: M15
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.447
chem comp atom.pdbx model cartn y ideal: 0.639
chem comp atom.pdbx model cartn z ideal: 2.194
chem comp atom.pdbx ordinal: 1
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: F

C2,M15
type: chem comp atom
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
chem comp atom.atom id: C2
chem comp atom.comp id: M15
chem comp atom.alt atom id: C2
chem comp atom.charge: 0
chem comp atom.model cartn x: 5.409
chem comp atom.model cartn y: -4.485
chem comp atom.model cartn z: 11.543
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C2
chem comp atom.pdbx component comp id: M15
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.176
chem comp atom.pdbx model cartn y ideal: 0.704
chem comp atom.pdbx model cartn z ideal: 1.058
chem comp atom.pdbx ordinal: 2
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C4,M15
type: chem comp atom
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
chem comp atom.atom id: C4
chem comp atom.comp id: M15
chem comp atom.alt atom id: C4
chem comp atom.charge: 0
chem comp atom.model cartn x: 6.232
chem comp atom.model cartn y: -3.951
chem comp atom.model cartn z: 12.525
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C4
chem comp atom.pdbx component comp id: M15
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.490
chem comp atom.pdbx model cartn y ideal: 0.268
chem comp atom.pdbx model cartn z ideal: 1.053
chem comp atom.pdbx ordinal: 3
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C6,M15
type: chem comp atom
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
chem comp atom.atom id: C6
chem comp atom.comp id: M15
chem comp atom.alt atom id: C6
chem comp atom.charge: 0
chem comp atom.model cartn x: 7.501
chem comp atom.model cartn y: -4.477
chem comp atom.model cartn z: 12.670
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C6
chem comp atom.pdbx component comp id: M15
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.235
chem comp atom.pdbx model cartn y ideal: 0.335
chem comp atom.pdbx model cartn z ideal: -0.110
chem comp atom.pdbx ordinal: 4
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

I23,M15
type: chem comp atom
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
chem comp atom.atom id: I23
chem comp atom.comp id: M15
chem comp atom.alt atom id: I23
chem comp atom.charge: 0
chem comp atom.model cartn x: 8.834
chem comp atom.model cartn y: -3.581
chem comp atom.model cartn z: 13.978
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: I23
chem comp atom.pdbx component comp id: M15
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 6.224
chem comp atom.pdbx model cartn y ideal: -0.324
chem comp atom.pdbx model cartn z ideal: -0.118
chem comp atom.pdbx ordinal: 5
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: I

C5,M15
type: chem comp atom
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
chem comp atom.atom id: C5
chem comp atom.comp id: M15
chem comp atom.alt atom id: C5
chem comp atom.charge: 0
chem comp atom.model cartn x: 7.941
chem comp atom.model cartn y: -5.521
chem comp atom.model cartn z: 11.873
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C5
chem comp atom.pdbx component comp id: M15
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: 0.836
chem comp atom.pdbx model cartn z ideal: -1.267
chem comp atom.pdbx ordinal: 6
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C3,M15
type: chem comp atom
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
chem comp atom.atom id: C3
chem comp atom.comp id: M15
chem comp atom.alt atom id: C3
chem comp atom.charge: 0
chem comp atom.model cartn x: 7.096
chem comp atom.model cartn y: -6.043
chem comp atom.model cartn z: 10.900
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C3
chem comp atom.pdbx component comp id: M15
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.355
chem comp atom.pdbx model cartn y ideal: 1.271
chem comp atom.pdbx model cartn z ideal: -1.263
chem comp atom.pdbx ordinal: 7
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C1,M15
type: chem comp atom
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
chem comp atom.atom id: C1
chem comp atom.comp id: M15
chem comp atom.alt atom id: C1
chem comp atom.charge: 0
chem comp atom.model cartn x: 5.813
chem comp atom.model cartn y: -5.526
chem comp atom.model cartn z: 10.729
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C1
chem comp atom.pdbx component comp id: M15
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.607
chem comp atom.pdbx model cartn y ideal: 1.200
chem comp atom.pdbx model cartn z ideal: -0.103
chem comp atom.pdbx ordinal: 8
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C7,M15
type: chem comp atom
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
chem comp atom.atom id: C7
chem comp atom.comp id: M15
chem comp atom.alt atom id: C7
chem comp atom.charge: 0
chem comp atom.model cartn x: 4.847
chem comp atom.model cartn y: -6.046
chem comp atom.model cartn z: 9.662
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C7
chem comp atom.pdbx component comp id: M15
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.177
chem comp atom.pdbx model cartn y ideal: 1.674
chem comp atom.pdbx model cartn z ideal: -0.099
chem comp atom.pdbx ordinal: 9
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

N8,M15
type: chem comp atom
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
chem comp atom.atom id: N8
chem comp atom.comp id: M15
chem comp atom.alt atom id: N8
chem comp atom.charge: 0
chem comp atom.model cartn x: 5.567
chem comp atom.model cartn y: -6.875
chem comp atom.model cartn z: 8.721
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: N8
chem comp atom.pdbx component comp id: M15
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.721
chem comp atom.pdbx model cartn y ideal: 0.516
chem comp atom.pdbx model cartn z ideal: -0.089
chem comp atom.pdbx ordinal: 10
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

C9,M15
type: chem comp atom
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
chem comp atom.atom id: C9
chem comp atom.comp id: M15
chem comp atom.alt atom id: C9
chem comp atom.charge: 0
chem comp atom.model cartn x: 5.617
chem comp atom.model cartn y: -8.196
chem comp atom.model cartn z: 8.830
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C9
chem comp atom.pdbx component comp id: M15
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.057
chem comp atom.pdbx model cartn y ideal: 0.700
chem comp atom.pdbx model cartn z ideal: -0.084
chem comp atom.pdbx ordinal: 11
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

O16,M15
type: chem comp atom
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
chem comp atom.atom id: O16
chem comp atom.comp id: M15
chem comp atom.alt atom id: O16
chem comp atom.charge: 0
chem comp atom.model cartn x: 5.074
chem comp atom.model cartn y: -8.773
chem comp atom.model cartn z: 9.764
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O16
chem comp atom.pdbx component comp id: M15
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.516
chem comp atom.pdbx model cartn y ideal: 1.826
chem comp atom.pdbx model cartn z ideal: -0.087
chem comp atom.pdbx ordinal: 12
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

C10,M15
type: chem comp atom
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
chem comp atom.atom id: C10
chem comp atom.comp id: M15
chem comp atom.alt atom id: C10
chem comp atom.charge: 0
chem comp atom.model cartn x: 6.494
chem comp atom.model cartn y: -8.932
chem comp atom.model cartn z: 7.861
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: M15
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.961
chem comp atom.pdbx model cartn y ideal: -0.465
chem comp atom.pdbx model cartn z ideal: -0.074
chem comp atom.pdbx ordinal: 13
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C12,M15
type: chem comp atom
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
chem comp atom.atom id: C12
chem comp atom.comp id: M15
chem comp atom.alt atom id: C12
chem comp atom.charge: 0
chem comp atom.model cartn x: 7.076
chem comp atom.model cartn y: -10.106
chem comp atom.model cartn z: 8.317
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: M15
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.437
chem comp atom.pdbx model cartn y ideal: -1.761
chem comp atom.pdbx model cartn z ideal: -0.070
chem comp atom.pdbx ordinal: 14
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C14,M15
type: chem comp atom
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
chem comp atom.atom id: C14
chem comp atom.comp id: M15
chem comp atom.alt atom id: C14
chem comp atom.charge: 0
chem comp atom.model cartn x: 7.951
chem comp atom.model cartn y: -10.837
chem comp atom.model cartn z: 7.539
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: M15
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.286
chem comp atom.pdbx model cartn y ideal: -2.845
chem comp atom.pdbx model cartn z ideal: -0.061
chem comp atom.pdbx ordinal: 15
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C15,M15
type: chem comp atom
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
chem comp atom.atom id: C15
chem comp atom.comp id: M15
chem comp atom.alt atom id: C15
chem comp atom.charge: 0
chem comp atom.model cartn x: 8.247
chem comp atom.model cartn y: -10.348
chem comp atom.model cartn z: 6.285
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: M15
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.660
chem comp atom.pdbx model cartn y ideal: -2.657
chem comp atom.pdbx model cartn z ideal: -0.056
chem comp atom.pdbx ordinal: 16
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

CL2,M15
type: chem comp atom
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
chem comp atom.atom id: CL2
chem comp atom.comp id: M15
chem comp atom.alt atom id: CL2
chem comp atom.charge: 0
chem comp atom.model cartn x: 9.361
chem comp atom.model cartn y: -11.236
chem comp atom.model cartn z: 5.259
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: CL2
chem comp atom.pdbx component comp id: M15
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.720
chem comp atom.pdbx model cartn y ideal: -4.033
chem comp atom.pdbx model cartn z ideal: -0.044
chem comp atom.pdbx ordinal: 17
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: CL

C13,M15
type: chem comp atom
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
chem comp atom.atom id: C13
chem comp atom.comp id: M15
chem comp atom.alt atom id: C13
chem comp atom.charge: 0
chem comp atom.model cartn x: 7.703
chem comp atom.model cartn y: -9.173
chem comp atom.model cartn z: 5.793
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C13
chem comp atom.pdbx component comp id: M15
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.191
chem comp atom.pdbx model cartn y ideal: -1.381
chem comp atom.pdbx model cartn z ideal: -0.059
chem comp atom.pdbx ordinal: 18
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C11,M15
type: chem comp atom
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
chem comp atom.atom id: C11
chem comp atom.comp id: M15
chem comp atom.alt atom id: C11
chem comp atom.charge: 0
chem comp atom.model cartn x: 6.818
chem comp atom.model cartn y: -8.459
chem comp atom.model cartn z: 6.594
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: M15
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.350
chem comp atom.pdbx model cartn y ideal: -0.279
chem comp atom.pdbx model cartn z ideal: -0.063
chem comp atom.pdbx ordinal: 19
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

O17,M15
type: chem comp atom
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
chem comp atom.atom id: O17
chem comp atom.comp id: M15
chem comp atom.alt atom id: O17
chem comp atom.charge: 0
chem comp atom.model cartn x: 6.214
chem comp atom.model cartn y: -7.322
chem comp atom.model cartn z: 6.152
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O17
chem comp atom.pdbx component comp id: M15
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.869
chem comp atom.pdbx model cartn y ideal: 0.974
chem comp atom.pdbx model cartn z ideal: -0.066
chem comp atom.pdbx ordinal: 20
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

C18,M15
type: chem comp atom
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
chem comp atom.atom id: C18
chem comp atom.comp id: M15
chem comp atom.alt atom id: C18
chem comp atom.charge: 0
chem comp atom.model cartn x: 6.752
chem comp atom.model cartn y: -6.603
chem comp atom.model cartn z: 5.062
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C18
chem comp atom.pdbx component comp id: M15
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.294
chem comp atom.pdbx model cartn y ideal: 1.086
chem comp atom.pdbx model cartn z ideal: -0.066
chem comp atom.pdbx ordinal: 21
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C19,M15
type: chem comp atom
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
chem comp atom.atom id: C19
chem comp atom.comp id: M15
chem comp atom.alt atom id: C19
chem comp atom.charge: 0
chem comp atom.model cartn x: 7.992
chem comp atom.model cartn y: -5.841
chem comp atom.model cartn z: 5.491
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C19
chem comp atom.pdbx component comp id: M15
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.683
chem comp atom.pdbx model cartn y ideal: 2.542
chem comp atom.pdbx model cartn z ideal: -0.070
chem comp atom.pdbx ordinal: 22
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

O20,M15
type: chem comp atom
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
chem comp atom.atom id: O20
chem comp atom.comp id: M15
chem comp atom.alt atom id: O20
chem comp atom.charge: 0
chem comp atom.model cartn x: 8.704
chem comp atom.model cartn y: -5.398
chem comp atom.model cartn z: 4.558
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O20
chem comp atom.pdbx component comp id: M15
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.829
chem comp atom.pdbx model cartn y ideal: 3.396
chem comp atom.pdbx model cartn z ideal: -0.073
chem comp atom.pdbx ordinal: 23
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

O21,M15
type: chem comp atom
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
chem comp atom.atom id: O21
chem comp atom.comp id: M15
chem comp atom.alt atom id: O21
chem comp atom.charge: 0
chem comp atom.model cartn x: 8.209
chem comp atom.model cartn y: -5.688
chem comp atom.model cartn z: 6.711
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O21
chem comp atom.pdbx component comp id: M15
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -7.980
chem comp atom.pdbx model cartn y ideal: 2.889
chem comp atom.pdbx model cartn z ideal: -0.070
chem comp atom.pdbx ordinal: 24
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

H1,M15
type: chem comp atom
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
chem comp atom.atom id: H1
chem comp atom.comp id: M15
chem comp atom.alt atom id: H1
chem comp atom.charge: 0
chem comp atom.model cartn x: 5.889
chem comp atom.model cartn y: -3.146
chem comp atom.model cartn z: 13.158
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: M15
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.933
chem comp atom.pdbx model cartn y ideal: -0.123
chem comp atom.pdbx model cartn z ideal: 1.957
chem comp atom.pdbx ordinal: 25
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H2,M15
type: chem comp atom
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
chem comp atom.atom id: H2
chem comp atom.comp id: M15
chem comp atom.alt atom id: H2
chem comp atom.charge: 0
chem comp atom.model cartn x: 8.933
chem comp atom.model cartn y: -5.927
chem comp atom.model cartn z: 12.006
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: M15
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.250
chem comp atom.pdbx model cartn y ideal: 0.888
chem comp atom.pdbx model cartn z ideal: -2.175
chem comp atom.pdbx ordinal: 26
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H3,M15
type: chem comp atom
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
chem comp atom.atom id: H3
chem comp atom.comp id: M15
chem comp atom.alt atom id: H3
chem comp atom.charge: 0
chem comp atom.model cartn x: 7.436
chem comp atom.model cartn y: -6.854
chem comp atom.model cartn z: 10.273
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: M15
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.913
chem comp atom.pdbx model cartn y ideal: 1.662
chem comp atom.pdbx model cartn z ideal: -2.167
chem comp atom.pdbx ordinal: 27
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H4,M15
type: chem comp atom
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
chem comp atom.atom id: H4
chem comp atom.comp id: M15
chem comp atom.alt atom id: H4
chem comp atom.charge: 0
chem comp atom.model cartn x: 4.396
chem comp atom.model cartn y: -5.195
chem comp atom.model cartn z: 9.130
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: M15
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.002
chem comp atom.pdbx model cartn y ideal: 2.280
chem comp atom.pdbx model cartn z ideal: 0.789
chem comp atom.pdbx ordinal: 28
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H5,M15
type: chem comp atom
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
chem comp atom.atom id: H5
chem comp atom.comp id: M15
chem comp atom.alt atom id: H5
chem comp atom.charge: 0
chem comp atom.model cartn x: 4.055
chem comp atom.model cartn y: -6.640
chem comp atom.model cartn z: 10.142
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: M15
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.010
chem comp atom.pdbx model cartn y ideal: 2.272
chem comp atom.pdbx model cartn z ideal: -0.991
chem comp atom.pdbx ordinal: 29
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H6,M15
type: chem comp atom
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
chem comp atom.atom id: H6
chem comp atom.comp id: M15
chem comp atom.alt atom id: H6
chem comp atom.charge: 0
chem comp atom.model cartn x: 6.045
chem comp atom.model cartn y: -6.436
chem comp atom.model cartn z: 7.960
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: M15
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.355
chem comp atom.pdbx model cartn y ideal: -0.382
chem comp atom.pdbx model cartn z ideal: -0.086
chem comp atom.pdbx ordinal: 30
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H7,M15
type: chem comp atom
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
chem comp atom.atom id: H7
chem comp atom.comp id: M15
chem comp atom.alt atom id: H7
chem comp atom.charge: 0
chem comp atom.model cartn x: 6.837
chem comp atom.model cartn y: -10.458
chem comp atom.model cartn z: 9.310
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: M15
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.368
chem comp atom.pdbx model cartn y ideal: -1.912
chem comp atom.pdbx model cartn z ideal: -0.075
chem comp atom.pdbx ordinal: 31
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H8,M15
type: chem comp atom
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
chem comp atom.atom id: H8
chem comp atom.comp id: M15
chem comp atom.alt atom id: H8
chem comp atom.charge: 0
chem comp atom.model cartn x: 8.387
chem comp atom.model cartn y: -11.757
chem comp atom.model cartn z: 7.899
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: M15
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.880
chem comp atom.pdbx model cartn y ideal: -3.846
chem comp atom.pdbx model cartn z ideal: -0.058
chem comp atom.pdbx ordinal: 32
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H9,M15
type: chem comp atom
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
chem comp atom.atom id: H9
chem comp atom.comp id: M15
chem comp atom.alt atom id: H9
chem comp atom.charge: 0
chem comp atom.model cartn x: 7.961
chem comp atom.model cartn y: -8.818
chem comp atom.model cartn z: 4.806
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: M15
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.262
chem comp atom.pdbx model cartn y ideal: -1.243
chem comp atom.pdbx model cartn z ideal: -0.055
chem comp atom.pdbx ordinal: 33
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H10,M15
type: chem comp atom
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
chem comp atom.atom id: H10
chem comp atom.comp id: M15
chem comp atom.alt atom id: H10
chem comp atom.charge: 0
chem comp atom.model cartn x: 6.000
chem comp atom.model cartn y: -5.891
chem comp atom.model cartn z: 4.691
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: M15
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.697
chem comp atom.pdbx model cartn y ideal: 0.600
chem comp atom.pdbx model cartn z ideal: -0.954
chem comp atom.pdbx ordinal: 34
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H11,M15
type: chem comp atom
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
chem comp atom.atom id: H11
chem comp atom.comp id: M15
chem comp atom.alt atom id: H11
chem comp atom.charge: 0
chem comp atom.model cartn x: 7.019
chem comp atom.model cartn y: -7.307
chem comp atom.model cartn z: 4.260
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: M15
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.696
chem comp atom.pdbx model cartn y ideal: 0.605
chem comp atom.pdbx model cartn z ideal: 0.826
chem comp atom.pdbx ordinal: 35
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H12,M15
type: chem comp atom
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
chem comp atom.atom id: H12
chem comp atom.comp id: M15
chem comp atom.alt atom id: H12
chem comp atom.charge: 0
chem comp atom.model cartn x: 9.003
chem comp atom.model cartn y: -5.180
chem comp atom.model cartn z: 6.831
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: M15
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -8.181
chem comp atom.pdbx model cartn y ideal: 3.835
chem comp atom.pdbx model cartn z ideal: -0.073
chem comp atom.pdbx ordinal: 36
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

O20,C19,M15
type: chem comp bond
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/M15/chem_comp_atom/,
chem comp bond.atom id 1: O20
chem comp bond.atom id 2: C19
chem comp bond.comp id: M15
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

C18,C19,M15
type: chem comp bond
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/M15/chem_comp_atom/,
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: C19
chem comp bond.comp id: M15
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

C18,O17,M15
type: chem comp bond
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/M15/chem_comp_atom/,
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: O17
chem comp bond.comp id: M15
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

CL2,C15,M15
type: chem comp bond
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/M15/chem_comp_atom/,
chem comp bond.atom id 1: CL2
chem comp bond.atom id 2: C15
chem comp bond.comp id: M15
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 4
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C19,O21,M15
type: chem comp bond
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/M15/chem_comp_atom/,
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: O21
chem comp bond.comp id: M15
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 5
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C13,C15,M15
type: chem comp bond
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/M15/chem_comp_atom/,
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: C15
chem comp bond.comp id: M15
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

C13,C11,M15
type: chem comp bond
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/M15/chem_comp_atom/,
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: C11
chem comp bond.comp id: M15
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

O17,C11,M15
type: chem comp bond
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/M15/chem_comp_atom/,
chem comp bond.atom id 1: O17
chem comp bond.atom id 2: C11
chem comp bond.comp id: M15
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

C15,C14,M15
type: chem comp bond
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/M15/chem_comp_atom/,
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: C14
chem comp bond.comp id: M15
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

C11,C10,M15
type: chem comp bond
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/M15/chem_comp_atom/,
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: C10
chem comp bond.comp id: M15
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 10
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C14,C12,M15
type: chem comp bond
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/M15/chem_comp_atom/,
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: C12
chem comp bond.comp id: M15
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

C10,C12,M15
type: chem comp bond
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/M15/chem_comp_atom/,
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: C12
chem comp bond.comp id: M15
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

C10,C9,M15
type: chem comp bond
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/M15/chem_comp_atom/,
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: C9
chem comp bond.comp id: M15
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

N8,C9,M15
type: chem comp bond
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/M15/chem_comp_atom/,
chem comp bond.atom id 1: N8
chem comp bond.atom id 2: C9
chem comp bond.comp id: M15
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 14
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N8,C7,M15
type: chem comp bond
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/M15/chem_comp_atom/,
chem comp bond.atom id 1: N8
chem comp bond.atom id 2: C7
chem comp bond.comp id: M15
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 15
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C9,O16,M15
type: chem comp bond
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/M15/chem_comp_atom/,
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: O16
chem comp bond.comp id: M15
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: doub

C7,C1,M15
type: chem comp bond
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/M15/chem_comp_atom/,
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: C1
chem comp bond.comp id: M15
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 17
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C1,C3,M15
type: chem comp bond
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/M15/chem_comp_atom/,
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: C3
chem comp bond.comp id: M15
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: doub

C1,C2,M15
type: chem comp bond
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/M15/chem_comp_atom/,
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: C2
chem comp bond.comp id: M15
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 19
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C3,C5,M15
type: chem comp bond
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/M15/chem_comp_atom/,
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: C5
chem comp bond.comp id: M15
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: sing

F24,C2,M15
type: chem comp bond
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/M15/chem_comp_atom/,
chem comp bond.atom id 1: F24
chem comp bond.atom id 2: C2
chem comp bond.comp id: M15
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

C2,C4,M15
type: chem comp bond
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/M15/chem_comp_atom/,
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: C4
chem comp bond.comp id: M15
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: doub

C5,C6,M15
type: chem comp bond
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/M15/chem_comp_atom/,
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: C6
chem comp bond.comp id: M15
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

C4,C6,M15
type: chem comp bond
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/M15/chem_comp_atom/,
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: C6
chem comp bond.comp id: M15
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: sing

C6,I23,M15
type: chem comp bond
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/M15/chem_comp_atom/,
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: I23
chem comp bond.comp id: M15
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 25
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C4,H1,M15
type: chem comp bond
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/M15/chem_comp_atom/,
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: H1
chem comp bond.comp id: M15
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 26
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C5,H2,M15
type: chem comp bond
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/M15/chem_comp_atom/,
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: H2
chem comp bond.comp id: M15
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 27
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C3,H3,M15
type: chem comp bond
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/M15/chem_comp_atom/,
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: H3
chem comp bond.comp id: M15
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 28
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C7,H4,M15
type: chem comp bond
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/M15/chem_comp_atom/,
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: H4
chem comp bond.comp id: M15
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

C7,H5,M15
type: chem comp bond
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/M15/chem_comp_atom/,
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: H5
chem comp bond.comp id: M15
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

N8,H6,M15
type: chem comp bond
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/M15/chem_comp_atom/,
chem comp bond.atom id 1: N8
chem comp bond.atom id 2: H6
chem comp bond.comp id: M15
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

C12,H7,M15
type: chem comp bond
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/M15/chem_comp_atom/,
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: H7
chem comp bond.comp id: M15
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

C14,H8,M15
type: chem comp bond
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/M15/chem_comp_atom/,
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: H8
chem comp bond.comp id: M15
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

C13,H9,M15
type: chem comp bond
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/M15/chem_comp_atom/,
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: H9
chem comp bond.comp id: M15
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

C18,H10,M15
type: chem comp bond
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/M15/chem_comp_atom/,
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: H10
chem comp bond.comp id: M15
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

C18,H11,M15
type: chem comp bond
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/M15/chem_comp_atom/,
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: H11
chem comp bond.comp id: M15
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

O21,H12,M15
type: chem comp bond
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/M15/chem_comp_atom/,
chem comp bond.atom id 1: O21
chem comp bond.atom id 2: H12
chem comp bond.comp id: M15
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

Create component,M15,2013-07-16
type: pdbx chem comp audit
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
pdbx chem comp audit.action type: Create component
pdbx chem comp audit.comp id: M15
pdbx chem comp audit.date: 2013-07-16
pdbx chem comp audit.processing site: RCSB

Initial release,M15,2014-04-30
type: pdbx chem comp audit
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
pdbx chem comp audit.action type: Initial release
pdbx chem comp audit.comp id: M15
pdbx chem comp audit.date: 2014-04-30
pdbx chem comp audit.processing site: RCSB

M15,ACDLabs,12.01,SMILES
type: pdbx chem comp descriptor
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: M15
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(c1c(OCC(=O)O)cc(Cl)cc1)NCc2ccc(I)cc2F

M15,InChI,1.03,InChI
type: pdbx chem comp descriptor
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: M15
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/C16H12ClFINO4/c17-10-2-4-12(14(5-10)24-8-15(21)22)16(23)20-7-9-1-3-11(19)6-13(9)18/h1-6H,7-8H2,(H,20,23)(H,21,22)

M15,InChI,1.03,InChIKey
type: pdbx chem comp descriptor
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: M15
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: ATJRPHWOUZQPIU-UHFFFAOYSA-N

M15,CACTVS,3.385,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: M15
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)COc1cc(Cl)ccc1C(=O)NCc2ccc(I)cc2F

M15,CACTVS,3.385,SMILES
type: pdbx chem comp descriptor
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: M15
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)COc1cc(Cl)ccc1C(=O)NCc2ccc(I)cc2F

M15,OpenEye OEToolkits,1.7.6,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: M15
pdbx chem comp descriptor.program: OpenEye OEToolkits
pdbx chem comp descriptor.program version: 1.7.6
pdbx chem comp descriptor.type: SMILES_CANONICAL
pdbx chem comp descriptor.descriptor: c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2ccc(cc2F)I

M15,OpenEye OEToolkits,1.7.6,SMILES
type: pdbx chem comp descriptor
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: M15
pdbx chem comp descriptor.program: OpenEye OEToolkits
pdbx chem comp descriptor.program version: 1.7.6
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2ccc(cc2F)I

M15,ACDLabs,12.01,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: M15
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: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid

M15,OpenEye OEToolkits,1.7.6,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: M15
pdbx chem comp identifier.program: OpenEye OEToolkits
pdbx chem comp identifier.program version: 1.7.6
pdbx chem comp identifier.type: SYSTEMATIC NAME
pdbx chem comp identifier.identifier: 2-[5-chloranyl-2-[(2-fluoranyl-4-iodanyl-phenyl)methylcarbamoyl]phenoxy]ethanoic acid