6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
type: datablock
datablock name: 7U4
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

7U4
type: chem comp
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
chem comp.id: 7U4
chem comp.formula: C28 H30 N2 O4
chem comp.formula weight: 458.549
chem comp.name: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic 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: 2016-12-06
chem comp.pdbx model coordinates db code: 5U3X
chem comp.pdbx model coordinates missing flag: N
chem comp.pdbx modified date: 2017-03-17
chem comp.pdbx processing site: RCSB
chem comp.pdbx release status: REL
chem comp.pdbx type: HETAIN
chem comp.three letter code: 7U4
chem comp.type: non-polymer

N1,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: N1
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: N1
chem comp atom.charge: 0
chem comp atom.model cartn x: -19.177
chem comp atom.model cartn y: -0.901
chem comp atom.model cartn z: 140.249
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: N1
chem comp atom.pdbx component comp id: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.757
chem comp atom.pdbx model cartn y ideal: 5.762
chem comp atom.pdbx model cartn z ideal: -1.109
chem comp atom.pdbx ordinal: 1
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

C4,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: C4
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: C1
chem comp atom.charge: 0
chem comp atom.model cartn x: -18.692
chem comp atom.model cartn y: -0.468
chem comp atom.model cartn z: 131.559
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: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.827
chem comp atom.pdbx model cartn y ideal: 0.451
chem comp atom.pdbx model cartn z ideal: -1.229
chem comp atom.pdbx ordinal: 2
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C5,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: C5
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: C2
chem comp atom.charge: 0
chem comp atom.model cartn x: -19.434
chem comp atom.model cartn y: 0.724
chem comp atom.model cartn z: 131.702
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: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.674
chem comp atom.pdbx model cartn y ideal: 0.064
chem comp atom.pdbx model cartn z ideal: -0.573
chem comp atom.pdbx ordinal: 3
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C6,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: C6
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: C3
chem comp atom.charge: 0
chem comp atom.model cartn x: -18.815
chem comp atom.model cartn y: 1.963
chem comp atom.model cartn z: 132.303
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C6
chem comp atom.pdbx component comp id: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.528
chem comp atom.pdbx model cartn y ideal: 0.311
chem comp atom.pdbx model cartn z ideal: 0.906
chem comp atom.pdbx ordinal: 4
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C7,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: C7
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: C4
chem comp atom.charge: 0
chem comp atom.model cartn x: -22.838
chem comp atom.model cartn y: 2.069
chem comp atom.model cartn z: 131.197
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: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.430
chem comp atom.pdbx model cartn y ideal: -1.383
chem comp atom.pdbx model cartn z ideal: -1.450
chem comp atom.pdbx ordinal: 5
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C8,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: C8
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: C5
chem comp atom.charge: 0
chem comp atom.model cartn x: -23.346
chem comp atom.model cartn y: 3.433
chem comp atom.model cartn z: 131.632
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C8
chem comp atom.pdbx component comp id: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.694
chem comp atom.pdbx model cartn y ideal: -1.909
chem comp atom.pdbx model cartn z ideal: -0.555
chem comp atom.pdbx ordinal: 6
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C10,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: C10
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: C6
chem comp atom.charge: 0
chem comp atom.model cartn x: -23.439
chem comp atom.model cartn y: 5.790
chem comp atom.model cartn z: 131.010
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C10
chem comp atom.pdbx component comp id: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.063
chem comp atom.pdbx model cartn y ideal: -2.701
chem comp atom.pdbx model cartn z ideal: -0.518
chem comp atom.pdbx ordinal: 7
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C13,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: C13
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: C7
chem comp atom.charge: 0
chem comp atom.model cartn x: -16.777
chem comp atom.model cartn y: 2.017
chem comp atom.model cartn z: 130.842
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C13
chem comp atom.pdbx component comp id: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.492
chem comp atom.pdbx model cartn y ideal: -2.111
chem comp atom.pdbx model cartn z ideal: 1.662
chem comp atom.pdbx ordinal: 8
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C15,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: C15
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: C8
chem comp atom.charge: 0
chem comp atom.model cartn x: -16.806
chem comp atom.model cartn y: 3.506
chem comp atom.model cartn z: 130.508
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C15
chem comp atom.pdbx component comp id: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.835
chem comp atom.pdbx model cartn y ideal: -3.321
chem comp atom.pdbx model cartn z ideal: 0.996
chem comp atom.pdbx ordinal: 9
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C17,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: C17
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: C9
chem comp atom.charge: 0
chem comp atom.model cartn x: -17.002
chem comp atom.model cartn y: 1.305
chem comp atom.model cartn z: 134.589
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C17
chem comp atom.pdbx component comp id: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.765
chem comp atom.pdbx model cartn y ideal: 0.510
chem comp atom.pdbx model cartn z ideal: 1.528
chem comp atom.pdbx ordinal: 10
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C20,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: C20
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: C10
chem comp atom.charge: 0
chem comp atom.model cartn x: -16.979
chem comp atom.model cartn y: 1.896
chem comp atom.model cartn z: 136.911
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C20
chem comp atom.pdbx component comp id: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.547
chem comp atom.pdbx model cartn y ideal: 2.488
chem comp atom.pdbx model cartn z ideal: 0.183
chem comp atom.pdbx ordinal: 11
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C21,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: C21
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: C11
chem comp atom.charge: 0
chem comp atom.model cartn x: -17.680
chem comp atom.model cartn y: 0.735
chem comp atom.model cartn z: 137.225
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C21
chem comp atom.pdbx component comp id: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.718
chem comp atom.pdbx model cartn y ideal: 2.711
chem comp atom.pdbx model cartn z ideal: 0.726
chem comp atom.pdbx ordinal: 12
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C22,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: C22
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: C12
chem comp atom.charge: 0
chem comp atom.model cartn x: -17.999
chem comp atom.model cartn y: -0.158
chem comp atom.model cartn z: 136.193
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C22
chem comp atom.pdbx component comp id: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.237
chem comp atom.pdbx model cartn y ideal: 1.829
chem comp atom.pdbx model cartn z ideal: 1.673
chem comp atom.pdbx ordinal: 13
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C24,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: C24
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: C13
chem comp atom.charge: 0
chem comp atom.model cartn x: -17.437
chem comp atom.model cartn y: 1.131
chem comp atom.model cartn z: 139.703
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C24
chem comp atom.pdbx component comp id: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.729
chem comp atom.pdbx model cartn y ideal: 4.188
chem comp atom.pdbx model cartn z ideal: 0.915
chem comp atom.pdbx ordinal: 14
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C26,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: C26
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: C14
chem comp atom.charge: 0
chem comp atom.model cartn x: -18.630
chem comp atom.model cartn y: -0.229
chem comp atom.model cartn z: 141.263
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C26
chem comp atom.pdbx component comp id: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.910
chem comp atom.pdbx model cartn y ideal: 6.069
chem comp atom.pdbx model cartn z ideal: -0.545
chem comp atom.pdbx ordinal: 15
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

N,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: N
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: N2
chem comp atom.charge: 0
chem comp atom.model cartn x: -17.355
chem comp atom.model cartn y: 1.852
chem comp atom.model cartn z: 132.183
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: N
chem comp atom.pdbx component comp id: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.822
chem comp atom.pdbx model cartn y ideal: -0.815
chem comp atom.pdbx model cartn z ideal: 1.522
chem comp atom.pdbx ordinal: 16
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

C,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: C
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: C15
chem comp atom.charge: 0
chem comp atom.model cartn x: -20.746
chem comp atom.model cartn y: 0.791
chem comp atom.model cartn z: 131.295
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C
chem comp atom.pdbx component comp id: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.651
chem comp atom.pdbx model cartn y ideal: -0.552
chem comp atom.pdbx model cartn z ideal: -1.279
chem comp atom.pdbx ordinal: 17
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

O,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: O
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: O1
chem comp atom.charge: 0
chem comp atom.model cartn x: -21.432
chem comp atom.model cartn y: 1.967
chem comp atom.model cartn z: 131.439
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O
chem comp atom.pdbx component comp id: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.516
chem comp atom.pdbx model cartn y ideal: -0.934
chem comp atom.pdbx model cartn z ideal: -0.637
chem comp atom.pdbx ordinal: 18
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

C1,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: C1
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: C16
chem comp atom.charge: 0
chem comp atom.model cartn x: -21.343
chem comp atom.model cartn y: -0.336
chem comp atom.model cartn z: 130.743
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: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.789
chem comp atom.pdbx model cartn y ideal: -0.778
chem comp atom.pdbx model cartn z ideal: -2.641
chem comp atom.pdbx ordinal: 19
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

O1,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: O1
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: O2
chem comp atom.charge: 0
chem comp atom.model cartn x: -21.751
chem comp atom.model cartn y: 7.930
chem comp atom.model cartn z: 128.563
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O1
chem comp atom.pdbx component comp id: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.507
chem comp atom.pdbx model cartn y ideal: -4.075
chem comp atom.pdbx model cartn z ideal: -1.034
chem comp atom.pdbx ordinal: 20
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

C2,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: C2
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: C17
chem comp atom.charge: 0
chem comp atom.model cartn x: -20.619
chem comp atom.model cartn y: -1.511
chem comp atom.model cartn z: 130.593
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: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.943
chem comp atom.pdbx model cartn y ideal: -0.389
chem comp atom.pdbx model cartn z ideal: -3.291
chem comp atom.pdbx ordinal: 21
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

O2,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: O2
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: O3
chem comp atom.charge: 0
chem comp atom.model cartn x: -23.672
chem comp atom.model cartn y: 6.873
chem comp atom.model cartn z: 128.420
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O2
chem comp atom.pdbx component comp id: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.273
chem comp atom.pdbx model cartn y ideal: -3.503
chem comp atom.pdbx model cartn z ideal: 0.708
chem comp atom.pdbx ordinal: 22
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

C3,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: C3
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: C18
chem comp atom.charge: 0
chem comp atom.model cartn x: -19.292
chem comp atom.model cartn y: -1.590
chem comp atom.model cartn z: 131.003
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: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.960
chem comp atom.pdbx model cartn y ideal: 0.230
chem comp atom.pdbx model cartn z ideal: -2.587
chem comp atom.pdbx ordinal: 23
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

O3,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: O3
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: O4
chem comp atom.charge: 0
chem comp atom.model cartn x: -15.315
chem comp atom.model cartn y: 1.561
chem comp atom.model cartn z: 133.024
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O3
chem comp atom.pdbx component comp id: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.068
chem comp atom.pdbx model cartn y ideal: -1.482
chem comp atom.pdbx model cartn z ideal: 2.710
chem comp atom.pdbx ordinal: 24
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

C9,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: C9
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: C19
chem comp atom.charge: 0
chem comp atom.model cartn x: -22.579
chem comp atom.model cartn y: 4.545
chem comp atom.model cartn z: 130.929
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: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.898
chem comp atom.pdbx model cartn y ideal: -2.291
chem comp atom.pdbx model cartn z ideal: -1.420
chem comp atom.pdbx ordinal: 25
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C11,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: C11
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: C20
chem comp atom.charge: 0
chem comp atom.model cartn x: -22.648
chem comp atom.model cartn y: 7.022
chem comp atom.model cartn z: 130.607
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C11
chem comp atom.pdbx component comp id: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.224
chem comp atom.pdbx model cartn y ideal: -3.200
chem comp atom.pdbx model cartn z ideal: -1.380
chem comp atom.pdbx ordinal: 26
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C12,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: C12
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: C21
chem comp atom.charge: 0
chem comp atom.model cartn x: -22.682
chem comp atom.model cartn y: 7.271
chem comp atom.model cartn z: 129.087
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C12
chem comp atom.pdbx component comp id: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.373
chem comp atom.pdbx model cartn y ideal: -3.603
chem comp atom.pdbx model cartn z ideal: -0.492
chem comp atom.pdbx ordinal: 27
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C14,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: C14
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: C22
chem comp atom.charge: 0
chem comp atom.model cartn x: -17.643
chem comp atom.model cartn y: 2.524
chem comp atom.model cartn z: 129.693
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C14
chem comp atom.pdbx component comp id: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.802
chem comp atom.pdbx model cartn y ideal: -3.174
chem comp atom.pdbx model cartn z ideal: 2.519
chem comp atom.pdbx ordinal: 28
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C16,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: C16
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: C23
chem comp atom.charge: 0
chem comp atom.model cartn x: -16.536
chem comp atom.model cartn y: 1.605
chem comp atom.model cartn z: 133.188
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C16
chem comp atom.pdbx component comp id: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.557
chem comp atom.pdbx model cartn y ideal: -0.660
chem comp atom.pdbx model cartn z ideal: 1.960
chem comp atom.pdbx ordinal: 29
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C18,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: C18
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: C24
chem comp atom.charge: 0
chem comp atom.model cartn x: -17.684
chem comp atom.model cartn y: 0.137
chem comp atom.model cartn z: 134.874
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C18
chem comp atom.pdbx component comp id: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.502
chem comp atom.pdbx model cartn y ideal: 0.735
chem comp atom.pdbx model cartn z ideal: 2.072
chem comp atom.pdbx ordinal: 30
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C19,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: C19
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: C25
chem comp atom.charge: 0
chem comp atom.model cartn x: -16.641
chem comp atom.model cartn y: 2.172
chem comp atom.model cartn z: 135.607
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C19
chem comp atom.pdbx component comp id: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.284
chem comp atom.pdbx model cartn y ideal: 1.395
chem comp atom.pdbx model cartn z ideal: 0.580
chem comp atom.pdbx ordinal: 31
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C23,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: C23
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: C26
chem comp atom.charge: 0
chem comp atom.model cartn x: -18.021
chem comp atom.model cartn y: 0.428
chem comp atom.model cartn z: 138.659
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C23
chem comp atom.pdbx component comp id: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.511
chem comp atom.pdbx model cartn y ideal: 3.889
chem comp atom.pdbx model cartn z ideal: 0.298
chem comp atom.pdbx ordinal: 32
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C25,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: C25
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: C27
chem comp atom.charge: 0
chem comp atom.model cartn x: -18.888
chem comp atom.model cartn y: -0.626
chem comp atom.model cartn z: 138.984
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C25
chem comp atom.pdbx component comp id: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.054
chem comp atom.pdbx model cartn y ideal: 4.715
chem comp atom.pdbx model cartn z ideal: -0.727
chem comp atom.pdbx ordinal: 33
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C27,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: C27
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: C28
chem comp atom.charge: 0
chem comp atom.model cartn x: -17.758
chem comp atom.model cartn y: 0.812
chem comp atom.model cartn z: 141.020
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C27
chem comp atom.pdbx component comp id: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.431
chem comp atom.pdbx model cartn y ideal: 5.298
chem comp atom.pdbx model cartn z ideal: 0.479
chem comp atom.pdbx ordinal: 34
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

H3,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: H3
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: H1
chem comp atom.charge: 0
chem comp atom.model cartn x: -17.662
chem comp atom.model cartn y: -0.507
chem comp atom.model cartn z: 131.881
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: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.624
chem comp atom.pdbx model cartn y ideal: 0.932
chem comp atom.pdbx model cartn z ideal: -0.680
chem comp atom.pdbx ordinal: 35
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H4,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: H4
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: H2
chem comp atom.charge: 0
chem comp atom.model cartn x: -19.166
chem comp atom.model cartn y: 2.854
chem comp atom.model cartn z: 131.762
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: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.515
chem comp atom.pdbx model cartn y ideal: 0.412
chem comp atom.pdbx model cartn z ideal: 1.357
chem comp atom.pdbx ordinal: 36
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H5,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: H5
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: H3
chem comp atom.charge: 0
chem comp atom.model cartn x: -19.096
chem comp atom.model cartn y: 2.043
chem comp atom.model cartn z: 133.363
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: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.960
chem comp atom.pdbx model cartn y ideal: 1.228
chem comp atom.pdbx model cartn z ideal: 1.067
chem comp atom.pdbx ordinal: 37
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H7,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: H7
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: H4
chem comp atom.charge: 0
chem comp atom.model cartn x: -23.033
chem comp atom.model cartn y: 1.934
chem comp atom.model cartn z: 130.123
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: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.775
chem comp atom.pdbx model cartn y ideal: -2.180
chem comp atom.pdbx model cartn z ideal: -2.108
chem comp atom.pdbx ordinal: 38
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H6,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: H6
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: H5
chem comp atom.charge: 0
chem comp atom.model cartn x: -23.363
chem comp atom.model cartn y: 1.287
chem comp atom.model cartn z: 131.766
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: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.058
chem comp atom.pdbx model cartn y ideal: -0.552
chem comp atom.pdbx model cartn z ideal: -2.050
chem comp atom.pdbx ordinal: 39
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H8,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: H8
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: H6
chem comp atom.charge: 0
chem comp atom.model cartn x: -23.216
chem comp atom.model cartn y: 3.537
chem comp atom.model cartn z: 132.719
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: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.344
chem comp atom.pdbx model cartn y ideal: -2.787
chem comp atom.pdbx model cartn z ideal: -0.012
chem comp atom.pdbx ordinal: 40
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H9,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: H9
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: H7
chem comp atom.charge: 0
chem comp atom.model cartn x: -24.414
chem comp atom.model cartn y: 3.517
chem comp atom.model cartn z: 131.381
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: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.987
chem comp atom.pdbx model cartn y ideal: -1.135
chem comp atom.pdbx model cartn z ideal: 0.154
chem comp atom.pdbx ordinal: 41
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H13,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: H13
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: H8
chem comp atom.charge: 0
chem comp atom.model cartn x: -23.797
chem comp atom.model cartn y: 5.914
chem comp atom.model cartn z: 132.043
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H13
chem comp atom.pdbx component comp id: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.741
chem comp atom.pdbx model cartn y ideal: -3.497
chem comp atom.pdbx model cartn z ideal: 0.153
chem comp atom.pdbx ordinal: 42
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H12,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: H12
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: H9
chem comp atom.charge: 0
chem comp atom.model cartn x: -24.300
chem comp atom.model cartn y: 5.678
chem comp atom.model cartn z: 130.334
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: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.389
chem comp atom.pdbx model cartn y ideal: -1.841
chem comp atom.pdbx model cartn z ideal: 0.068
chem comp atom.pdbx ordinal: 43
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H16,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: H16
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: H10
chem comp atom.charge: 0
chem comp atom.model cartn x: -15.867
chem comp atom.model cartn y: 1.455
chem comp atom.model cartn z: 130.585
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H16
chem comp atom.pdbx component comp id: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.581
chem comp atom.pdbx model cartn y ideal: -2.077
chem comp atom.pdbx model cartn z ideal: 1.683
chem comp atom.pdbx ordinal: 44
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H19,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: H19
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: H11
chem comp atom.charge: 0
chem comp atom.model cartn x: -15.925
chem comp atom.model cartn y: 3.986
chem comp atom.model cartn z: 130.056
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H19
chem comp atom.pdbx component comp id: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.905
chem comp atom.pdbx model cartn y ideal: -3.154
chem comp atom.pdbx model cartn z ideal: 0.453
chem comp atom.pdbx ordinal: 45
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H20,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: H20
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: H12
chem comp atom.charge: 0
chem comp atom.model cartn x: -17.298
chem comp atom.model cartn y: 4.214
chem comp atom.model cartn z: 131.191
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H20
chem comp atom.pdbx component comp id: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.493
chem comp atom.pdbx model cartn y ideal: -4.084
chem comp atom.pdbx model cartn z ideal: 0.578
chem comp atom.pdbx ordinal: 46
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H23,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: H23
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: H13
chem comp atom.charge: 0
chem comp atom.model cartn x: -16.699
chem comp atom.model cartn y: 2.583
chem comp atom.model cartn z: 137.696
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H23
chem comp atom.pdbx component comp id: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.948
chem comp atom.pdbx model cartn y ideal: 3.172
chem comp atom.pdbx model cartn z ideal: -0.550
chem comp atom.pdbx ordinal: 47
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H24,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: H24
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: H14
chem comp atom.charge: 0
chem comp atom.model cartn x: -18.496
chem comp atom.model cartn y: -1.088
chem comp atom.model cartn z: 136.427
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H24
chem comp atom.pdbx component comp id: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.217
chem comp atom.pdbx model cartn y ideal: 2.003
chem comp atom.pdbx model cartn z ideal: 2.094
chem comp atom.pdbx ordinal: 48
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H25,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: H25
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: H15
chem comp atom.charge: 0
chem comp atom.model cartn x: -16.735
chem comp atom.model cartn y: 1.924
chem comp atom.model cartn z: 139.495
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H25
chem comp atom.pdbx component comp id: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.112
chem comp atom.pdbx model cartn y ideal: 3.569
chem comp atom.pdbx model cartn z ideal: 1.713
chem comp atom.pdbx ordinal: 49
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H27,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: H27
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: H16
chem comp atom.charge: 0
chem comp atom.model cartn x: -18.871
chem comp atom.model cartn y: -0.501
chem comp atom.model cartn z: 142.280
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H27
chem comp atom.pdbx component comp id: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.455
chem comp atom.pdbx model cartn y ideal: 6.935
chem comp atom.pdbx model cartn z ideal: -0.889
chem comp atom.pdbx ordinal: 50
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: H
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: H17
chem comp atom.charge: 0
chem comp atom.model cartn x: -22.376
chem comp atom.model cartn y: -0.298
chem comp atom.model cartn z: 130.429
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H
chem comp atom.pdbx component comp id: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.993
chem comp atom.pdbx model cartn y ideal: -1.258
chem comp atom.pdbx model cartn z ideal: -3.192
chem comp atom.pdbx ordinal: 51
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H29,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: H29
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: H18
chem comp atom.charge: 0
chem comp atom.model cartn x: -21.932
chem comp atom.model cartn y: 8.055
chem comp atom.model cartn z: 127.639
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H29
chem comp atom.pdbx component comp id: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -7.216
chem comp atom.pdbx model cartn y ideal: -4.321
chem comp atom.pdbx model cartn z ideal: -0.424
chem comp atom.pdbx ordinal: 52
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H1,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: H1
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: H19
chem comp atom.charge: 0
chem comp atom.model cartn x: -21.092
chem comp atom.model cartn y: -2.376
chem comp atom.model cartn z: 130.152
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: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.051
chem comp atom.pdbx model cartn y ideal: -0.565
chem comp atom.pdbx model cartn z ideal: -4.351
chem comp atom.pdbx ordinal: 53
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H2,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: H2
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: H20
chem comp atom.charge: 0
chem comp atom.model cartn x: -18.737
chem comp atom.model cartn y: -2.510
chem comp atom.model cartn z: 130.891
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: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.862
chem comp atom.pdbx model cartn y ideal: 0.534
chem comp atom.pdbx model cartn z ideal: -3.097
chem comp atom.pdbx ordinal: 54
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H11,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: H11
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: H21
chem comp atom.charge: 0
chem comp atom.model cartn x: -22.401
chem comp atom.model cartn y: 4.276
chem comp atom.model cartn z: 129.877
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: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.192
chem comp atom.pdbx model cartn y ideal: -1.437
chem comp atom.pdbx model cartn z ideal: -2.029
chem comp atom.pdbx ordinal: 55
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H10,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: H10
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: H22
chem comp atom.charge: 0
chem comp atom.model cartn x: -21.616
chem comp atom.model cartn y: 4.717
chem comp atom.model cartn z: 131.432
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: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.629
chem comp atom.pdbx model cartn y ideal: -3.125
chem comp atom.pdbx model cartn z ideal: -2.068
chem comp atom.pdbx ordinal: 56
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H14,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: H14
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: H23
chem comp atom.charge: 0
chem comp atom.model cartn x: -21.602
chem comp atom.model cartn y: 6.888
chem comp atom.model cartn z: 130.920
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H14
chem comp atom.pdbx component comp id: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.547
chem comp atom.pdbx model cartn y ideal: -2.404
chem comp atom.pdbx model cartn z ideal: -2.052
chem comp atom.pdbx ordinal: 57
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H15,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: H15
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: H24
chem comp atom.charge: 0
chem comp atom.model cartn x: -23.074
chem comp atom.model cartn y: 7.898
chem comp atom.model cartn z: 131.118
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H15
chem comp atom.pdbx component comp id: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.899
chem comp atom.pdbx model cartn y ideal: -4.059
chem comp atom.pdbx model cartn z ideal: -1.966
chem comp atom.pdbx ordinal: 58
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H17,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: H17
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: H25
chem comp atom.charge: 0
chem comp atom.model cartn x: -18.739
chem comp atom.model cartn y: 2.524
chem comp atom.model cartn z: 129.789
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H17
chem comp atom.pdbx component comp id: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.437
chem comp atom.pdbx model cartn y ideal: -3.840
chem comp atom.pdbx model cartn z ideal: 3.103
chem comp atom.pdbx ordinal: 59
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H18,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: H18
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: H26
chem comp atom.charge: 0
chem comp atom.model cartn x: -17.366
chem comp atom.model cartn y: 2.296
chem comp atom.model cartn z: 128.653
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H18
chem comp atom.pdbx component comp id: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.849
chem comp atom.pdbx model cartn y ideal: -2.909
chem comp atom.pdbx model cartn z ideal: 2.978
chem comp atom.pdbx ordinal: 60
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H21,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: H21
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: H27
chem comp atom.charge: 0
chem comp atom.model cartn x: -17.968
chem comp atom.model cartn y: -0.538
chem comp atom.model cartn z: 134.080
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H21
chem comp atom.pdbx component comp id: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.905
chem comp atom.pdbx model cartn y ideal: 0.052
chem comp atom.pdbx model cartn z ideal: 2.805
chem comp atom.pdbx ordinal: 61
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H22,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: H22
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: H28
chem comp atom.charge: 0
chem comp atom.model cartn x: -16.090
chem comp atom.model cartn y: 3.071
chem comp atom.model cartn z: 135.375
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H22
chem comp atom.pdbx component comp id: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.263
chem comp atom.pdbx model cartn y ideal: 1.222
chem comp atom.pdbx model cartn z ideal: 0.159
chem comp atom.pdbx ordinal: 62
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H26,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: H26
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: H29
chem comp atom.charge: 0
chem comp atom.model cartn x: -19.325
chem comp atom.model cartn y: -1.220
chem comp atom.model cartn z: 138.195
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H26
chem comp atom.pdbx component comp id: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.114
chem comp atom.pdbx model cartn y ideal: 4.496
chem comp atom.pdbx model cartn z ideal: -1.213
chem comp atom.pdbx ordinal: 63
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H28,7U4
type: chem comp atom
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
chem comp atom.atom id: H28
chem comp atom.comp id: 7U4
chem comp atom.alt atom id: H30
chem comp atom.charge: 0
chem comp atom.model cartn x: -17.331
chem comp atom.model cartn y: 1.371
chem comp atom.model cartn z: 141.839
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H28
chem comp atom.pdbx component comp id: 7U4
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.375
chem comp atom.pdbx model cartn y ideal: 5.560
chem comp atom.pdbx model cartn z ideal: 0.932
chem comp atom.pdbx ordinal: 64
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

O2,C12,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: O2
chem comp bond.atom id 2: C12
chem comp bond.comp id: 7U4
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

O1,C12,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: O1
chem comp bond.atom id 2: C12
chem comp bond.comp id: 7U4
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

C12,C11,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: C11
chem comp bond.comp id: 7U4
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

C14,C15,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: C15
chem comp bond.comp id: 7U4
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

C14,C13,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: C13
chem comp bond.comp id: 7U4
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

C15,C13,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: C13
chem comp bond.comp id: 7U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 6
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C2,C1,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: C1
chem comp bond.comp id: 7U4
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

C2,C3,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: C3
chem comp bond.comp id: 7U4
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: sing

C11,C10,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: C10
chem comp bond.comp id: 7U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 9
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C1,C,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: C
chem comp bond.comp id: 7U4
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: sing

C13,N,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: N
chem comp bond.comp id: 7U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 11
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C9,C10,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: C10
chem comp bond.comp id: 7U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 12
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C9,C8,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: C8
chem comp bond.comp id: 7U4
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

C3,C4,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: C4
chem comp bond.comp id: 7U4
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: doub

C7,O,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: O
chem comp bond.comp id: 7U4
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

C7,C8,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: C8
chem comp bond.comp id: 7U4
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

C,O,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.comp id: 7U4
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

C,C5,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C
chem comp bond.atom id 2: C5
chem comp bond.comp id: 7U4
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

C4,C5,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: C5
chem comp bond.comp id: 7U4
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

C5,C6,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: C6
chem comp bond.comp id: 7U4
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

N,C6,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: N
chem comp bond.atom id 2: C6
chem comp bond.comp id: 7U4
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

N,C16,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: N
chem comp bond.atom id 2: C16
chem comp bond.comp id: 7U4
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

O3,C16,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: O3
chem comp bond.atom id 2: C16
chem comp bond.comp id: 7U4
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: doub

C16,C17,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: C17
chem comp bond.comp id: 7U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 24
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C17,C18,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: C18
chem comp bond.comp id: 7U4
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: doub

C17,C19,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: C19
chem comp bond.comp id: 7U4
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

C18,C22,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: C22
chem comp bond.comp id: 7U4
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 27
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C19,C20,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: C20
chem comp bond.comp id: 7U4
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

C22,C21,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C22
chem comp bond.atom id 2: C21
chem comp bond.comp id: 7U4
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: doub

C20,C21,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: C21
chem comp bond.comp id: 7U4
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 30
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C21,C23,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: C23
chem comp bond.comp id: 7U4
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

C23,C25,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C23
chem comp bond.atom id 2: C25
chem comp bond.comp id: 7U4
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 32
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C23,C24,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C23
chem comp bond.atom id 2: C24
chem comp bond.comp id: 7U4
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 33
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C25,N1,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C25
chem comp bond.atom id 2: N1
chem comp bond.comp id: 7U4
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 34
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C24,C27,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C24
chem comp bond.atom id 2: C27
chem comp bond.comp id: 7U4
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 35
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

N1,C26,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: N1
chem comp bond.atom id 2: C26
chem comp bond.comp id: 7U4
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 36
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C27,C26,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C27
chem comp bond.atom id 2: C26
chem comp bond.comp id: 7U4
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 37
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C4,H3,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: H3
chem comp bond.comp id: 7U4
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

C6,H4,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H4
chem comp bond.comp id: 7U4
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

C6,H5,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H5
chem comp bond.comp id: 7U4
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

C7,H7,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: H7
chem comp bond.comp id: 7U4
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

C7,H6,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: H6
chem comp bond.comp id: 7U4
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

C8,H8,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: H8
chem comp bond.comp id: 7U4
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

C8,H9,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: H9
chem comp bond.comp id: 7U4
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

C10,H13,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: H13
chem comp bond.comp id: 7U4
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

C10,H12,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: H12
chem comp bond.comp id: 7U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 46
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C13,H16,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: H16
chem comp bond.comp id: 7U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 47
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C15,H19,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: H19
chem comp bond.comp id: 7U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 48
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C15,H20,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: H20
chem comp bond.comp id: 7U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 49
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C20,H23,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: H23
chem comp bond.comp id: 7U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 50
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C22,H24,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C22
chem comp bond.atom id 2: H24
chem comp bond.comp id: 7U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 51
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C24,H25,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C24
chem comp bond.atom id 2: H25
chem comp bond.comp id: 7U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 52
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C26,H27,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C26
chem comp bond.atom id 2: H27
chem comp bond.comp id: 7U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 53
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C1,H,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H
chem comp bond.comp id: 7U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 54
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

O1,H29,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: O1
chem comp bond.atom id 2: H29
chem comp bond.comp id: 7U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 55
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C2,H1,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: H1
chem comp bond.comp id: 7U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 56
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C3,H2,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: H2
chem comp bond.comp id: 7U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 57
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C9,H11,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: H11
chem comp bond.comp id: 7U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 58
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C9,H10,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: H10
chem comp bond.comp id: 7U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 59
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C11,H14,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: H14
chem comp bond.comp id: 7U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 60
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C11,H15,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: H15
chem comp bond.comp id: 7U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 61
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C14,H17,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: H17
chem comp bond.comp id: 7U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 62
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C14,H18,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: H18
chem comp bond.comp id: 7U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 63
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C18,H21,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: H21
chem comp bond.comp id: 7U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 64
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C19,H22,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: H22
chem comp bond.comp id: 7U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 65
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C25,H26,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C25
chem comp bond.atom id 2: H26
chem comp bond.comp id: 7U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 66
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C27,H28,7U4
type: chem comp bond
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/7U4/chem_comp_atom/,
chem comp bond.atom id 1: C27
chem comp bond.atom id 2: H28
chem comp bond.comp id: 7U4
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 67
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

Create component,7U4,2016-12-06
type: pdbx chem comp audit
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
pdbx chem comp audit.action type: Create component
pdbx chem comp audit.comp id: 7U4
pdbx chem comp audit.date: 2016-12-06
pdbx chem comp audit.processing site: RCSB

Initial release,7U4,2017-03-22
type: pdbx chem comp audit
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
pdbx chem comp audit.action type: Initial release
pdbx chem comp audit.comp id: 7U4
pdbx chem comp audit.date: 2017-03-22
pdbx chem comp audit.processing site: RCSB

7U4,ACDLabs,12.01,SMILES
type: pdbx chem comp descriptor
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 7U4
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: n4cccc(c1ccc(cc1)C(N(Cc2ccccc2OCCCCCC(O)=O)C3CC3)=O)c4

7U4,InChI,1.03,InChI
type: pdbx chem comp descriptor
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 7U4
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/C28H30N2O4/c31-27(32)10-2-1-5-18-34-26-9-4-3-7-24(26)20-30(25-15-16-25)28(33)22-13-11-21(12-14-22)23-8-6-17-29-19-23/h3-4,6-9,11-14,17,19,25H,1-2,5,10,15-16,18,20H2,(H,31,32)

7U4,InChI,1.03,InChIKey
type: pdbx chem comp descriptor
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 7U4
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: LNCQVUMJUZJEIR-UHFFFAOYSA-N

7U4,CACTVS,3.385,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 7U4
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)CCCCCOc1ccccc1CN(C2CC2)C(=O)c3ccc(cc3)c4cccnc4

7U4,CACTVS,3.385,SMILES
type: pdbx chem comp descriptor
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 7U4
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)CCCCCOc1ccccc1CN(C2CC2)C(=O)c3ccc(cc3)c4cccnc4

7U4,OpenEye OEToolkits,2.0.6,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 7U4
pdbx chem comp descriptor.program: OpenEye OEToolkits
pdbx chem comp descriptor.program version: 2.0.6
pdbx chem comp descriptor.type: SMILES_CANONICAL
pdbx chem comp descriptor.descriptor: c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4cccnc4)OCCCCCC(=O)O

7U4,OpenEye OEToolkits,2.0.6,SMILES
type: pdbx chem comp descriptor
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 7U4
pdbx chem comp descriptor.program: OpenEye OEToolkits
pdbx chem comp descriptor.program version: 2.0.6
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4cccnc4)OCCCCCC(=O)O

7U4,ACDLabs,12.01,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: 7U4
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: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid

7U4,OpenEye OEToolkits,2.0.6,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: 7U4
pdbx chem comp identifier.program: OpenEye OEToolkits
pdbx chem comp identifier.program version: 2.0.6
pdbx chem comp identifier.type: SYSTEMATIC NAME
pdbx chem comp identifier.identifier: 6-[2-[[cyclopropyl-(4-pyridin-3-ylphenyl)carbonyl-amino]methyl]phenoxy]hexanoic acid