AYK
type: datablock
title: (3~{S})-3-[(1~{S},3~{a}~{S},4~{E},7~{a}~{S})-7~{a}-methyl-4-[(2~{Z})-2-[(5~{S})-2-methylidene-5-oxidanyl-cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]-3-oxidanyl-~{N}-propan-2-yl-butanamide
datablock name: AYK
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

AYK
type: chem comp
of datablock: AYK
chem comp.id: AYK
chem comp.formula: C26 H41 N O3
chem comp.formula weight: 415.609
chem comp.name: (3~{S})-3-[(1~{S},3~{a}~{S},4~{E},7~{a}~{S})-7~{a}-methyl-4-[(2~{Z})-2-[(5~{S})-2-methylidene-5-oxidanyl-cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]-3-oxidanyl-~{N}-propan-2-yl-butanamide
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: 2017-08-31
chem comp.pdbx model coordinates db code: 5OW7
chem comp.pdbx model coordinates missing flag: N
chem comp.pdbx modified date: 2018-02-02
chem comp.pdbx processing site: EBI
chem comp.pdbx release status: REL
chem comp.pdbx type: HETAIN
chem comp.three letter code: AYK
chem comp.type: non-polymer

C4,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: C4
chem comp atom.comp id: AYK
chem comp atom.alt atom id: C1
chem comp atom.charge: 0
chem comp atom.model cartn x: -35.634
chem comp atom.model cartn y: 19.537
chem comp atom.model cartn z: -5.486
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C4
chem comp atom.pdbx component comp id: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.949
chem comp atom.pdbx model cartn y ideal: 0.113
chem comp atom.pdbx model cartn z ideal: -0.095
chem comp atom.pdbx ordinal: 1
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C5,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: C5
chem comp atom.comp id: AYK
chem comp atom.alt atom id: C2
chem comp atom.charge: 0
chem comp atom.model cartn x: -37.130
chem comp atom.model cartn y: 19.389
chem comp atom.model cartn z: -5.667
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C5
chem comp atom.pdbx component comp id: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 6.267
chem comp atom.pdbx model cartn y ideal: 0.030
chem comp atom.pdbx model cartn z ideal: 0.648
chem comp atom.pdbx ordinal: 2
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C6,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: C6
chem comp atom.comp id: AYK
chem comp atom.alt atom id: C3
chem comp atom.charge: 0
chem comp atom.model cartn x: -37.915
chem comp atom.model cartn y: 20.601
chem comp atom.model cartn z: -5.193
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: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 6.551
chem comp atom.pdbx model cartn y ideal: 1.395
chem comp atom.pdbx model cartn z ideal: 1.282
chem comp atom.pdbx ordinal: 3
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C

C7,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: C7
chem comp atom.comp id: AYK
chem comp atom.alt atom id: C4
chem comp atom.charge: 0
chem comp atom.model cartn x: -34.893
chem comp atom.model cartn y: 18.417
chem comp atom.model cartn z: -5.204
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: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.003
chem comp atom.pdbx model cartn y ideal: -0.840
chem comp atom.pdbx model cartn z ideal: 0.033
chem comp atom.pdbx ordinal: 4
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C8,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: C8
chem comp atom.comp id: AYK
chem comp atom.alt atom id: C5
chem comp atom.charge: 0
chem comp atom.model cartn x: -33.905
chem comp atom.model cartn y: 21.018
chem comp atom.model cartn z: -6.447
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: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.208
chem comp atom.pdbx model cartn y ideal: 1.182
chem comp atom.pdbx model cartn z ideal: -2.177
chem comp atom.pdbx ordinal: 5
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C10,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: C10
chem comp atom.comp id: AYK
chem comp atom.alt atom id: C6
chem comp atom.charge: 0
chem comp atom.model cartn x: -33.484
chem comp atom.model cartn y: 18.321
chem comp atom.model cartn z: -4.957
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: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.742
chem comp atom.pdbx model cartn y ideal: -0.725
chem comp atom.pdbx model cartn z ideal: -0.702
chem comp atom.pdbx ordinal: 6
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C11,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: C11
chem comp atom.comp id: AYK
chem comp atom.alt atom id: C7
chem comp atom.charge: 0
chem comp atom.model cartn x: -32.752
chem comp atom.model cartn y: 17.202
chem comp atom.model cartn z: -4.839
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: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.807
chem comp atom.pdbx model cartn y ideal: -1.666
chem comp atom.pdbx model cartn z ideal: -0.575
chem comp atom.pdbx ordinal: 7
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C12,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: C12
chem comp atom.comp id: AYK
chem comp atom.alt atom id: C8
chem comp atom.charge: 0
chem comp atom.model cartn x: -31.257
chem comp atom.model cartn y: 17.218
chem comp atom.model cartn z: -4.585
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: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.497
chem comp atom.pdbx model cartn y ideal: -1.602
chem comp atom.pdbx model cartn z ideal: -1.302
chem comp atom.pdbx ordinal: 8
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C

C13,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: C13
chem comp atom.comp id: AYK
chem comp atom.alt atom id: C9
chem comp atom.charge: 0
chem comp atom.model cartn x: -30.501
chem comp atom.model cartn y: 16.847
chem comp atom.model cartn z: -5.909
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: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.595
chem comp atom.pdbx model cartn y ideal: -1.629
chem comp atom.pdbx model cartn z ideal: -0.195
chem comp atom.pdbx ordinal: 9
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C

C14,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: C14
chem comp atom.comp id: AYK
chem comp atom.alt atom id: C10
chem comp atom.charge: 0
chem comp atom.model cartn x: -30.977
chem comp atom.model cartn y: 15.433
chem comp atom.model cartn z: -6.312
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: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.538
chem comp atom.pdbx model cartn y ideal: -2.985
chem comp atom.pdbx model cartn z ideal: 0.470
chem comp atom.pdbx ordinal: 10
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C15,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: C15
chem comp atom.comp id: AYK
chem comp atom.alt atom id: C11
chem comp atom.charge: 0
chem comp atom.model cartn x: -32.501
chem comp atom.model cartn y: 15.320
chem comp atom.model cartn z: -6.453
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: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.790
chem comp atom.pdbx model cartn y ideal: -3.068
chem comp atom.pdbx model cartn z ideal: 1.241
chem comp atom.pdbx ordinal: 11
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C1,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: C1
chem comp atom.comp id: AYK
chem comp atom.alt atom id: C12
chem comp atom.charge: 0
chem comp atom.model cartn x: -37.326
chem comp atom.model cartn y: 21.874
chem comp atom.model cartn z: -5.776
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C1
chem comp atom.pdbx component comp id: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 6.579
chem comp atom.pdbx model cartn y ideal: 2.474
chem comp atom.pdbx model cartn z ideal: 0.198
chem comp atom.pdbx ordinal: 12
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C2,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: C2
chem comp atom.comp id: AYK
chem comp atom.alt atom id: C13
chem comp atom.charge: 0
chem comp atom.model cartn x: -35.870
chem comp atom.model cartn y: 22.043
chem comp atom.model cartn z: -5.359
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C2
chem comp atom.pdbx component comp id: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.183
chem comp atom.pdbx model cartn y ideal: 2.632
chem comp atom.pdbx model cartn z ideal: -0.413
chem comp atom.pdbx ordinal: 13
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C3,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: C3
chem comp atom.comp id: AYK
chem comp atom.alt atom id: C14
chem comp atom.charge: 0
chem comp atom.model cartn x: -35.051
chem comp atom.model cartn y: 20.860
chem comp atom.model cartn z: -5.797
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C3
chem comp atom.pdbx component comp id: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.747
chem comp atom.pdbx model cartn y ideal: 1.292
chem comp atom.pdbx model cartn z ideal: -0.963
chem comp atom.pdbx ordinal: 14
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

O9,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: O9
chem comp atom.comp id: AYK
chem comp atom.alt atom id: O1
chem comp atom.charge: 0
chem comp atom.model cartn x: -37.962
chem comp atom.model cartn y: 20.648
chem comp atom.model cartn z: -3.757
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O9
chem comp atom.pdbx component comp id: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 7.816
chem comp atom.pdbx model cartn y ideal: 1.357
chem comp atom.pdbx model cartn z ideal: 1.946
chem comp atom.pdbx ordinal: 15
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

C16,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: C16
chem comp atom.comp id: AYK
chem comp atom.alt atom id: C15
chem comp atom.charge: 0
chem comp atom.model cartn x: -33.227
chem comp atom.model cartn y: 15.815
chem comp atom.model cartn z: -5.190
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: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.997
chem comp atom.pdbx model cartn y ideal: -2.888
chem comp atom.pdbx model cartn z ideal: 0.314
chem comp atom.pdbx ordinal: 16
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C17,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: C17
chem comp atom.comp id: AYK
chem comp atom.alt atom id: C16
chem comp atom.charge: 0
chem comp atom.model cartn x: -29.022
chem comp atom.model cartn y: 16.932
chem comp atom.model cartn z: -5.365
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C17
chem comp atom.pdbx component comp id: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.861
chem comp atom.pdbx model cartn y ideal: -1.246
chem comp atom.pdbx model cartn z ideal: -0.946
chem comp atom.pdbx ordinal: 17
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C

C18,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: C18
chem comp atom.comp id: AYK
chem comp atom.alt atom id: C17
chem comp atom.charge: 0
chem comp atom.model cartn x: -29.026
chem comp atom.model cartn y: 18.199
chem comp atom.model cartn z: -4.455
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: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.383
chem comp atom.pdbx model cartn y ideal: -0.317
chem comp atom.pdbx model cartn z ideal: -2.093
chem comp atom.pdbx ordinal: 18
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C19,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: C19
chem comp atom.comp id: AYK
chem comp atom.alt atom id: C18
chem comp atom.charge: 0
chem comp atom.model cartn x: -30.496
chem comp atom.model cartn y: 18.452
chem comp atom.model cartn z: -4.058
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: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.169
chem comp atom.pdbx model cartn y ideal: -0.286
chem comp atom.pdbx model cartn z ideal: -2.012
chem comp atom.pdbx ordinal: 19
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C20,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: C20
chem comp atom.comp id: AYK
chem comp atom.alt atom id: C19
chem comp atom.charge: 0
chem comp atom.model cartn x: -27.767
chem comp atom.model cartn y: 16.854
chem comp atom.model cartn z: -6.332
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C20
chem comp atom.pdbx component comp id: AYK
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: -0.498
chem comp atom.pdbx model cartn z ideal: -0.021
chem comp atom.pdbx ordinal: 20
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C

C21,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: C21
chem comp atom.comp id: AYK
chem comp atom.alt atom id: C20
chem comp atom.charge: 0
chem comp atom.model cartn x: -27.580
chem comp atom.model cartn y: 18.155
chem comp atom.model cartn z: -7.133
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C21
chem comp atom.pdbx component comp id: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.087
chem comp atom.pdbx model cartn y ideal: -0.122
chem comp atom.pdbx model cartn z ideal: -0.795
chem comp atom.pdbx ordinal: 21
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C22,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: C22
chem comp atom.comp id: AYK
chem comp atom.alt atom id: C21
chem comp atom.charge: 0
chem comp atom.model cartn x: -26.494
chem comp atom.model cartn y: 16.514
chem comp atom.model cartn z: -5.561
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C22
chem comp atom.pdbx component comp id: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.195
chem comp atom.pdbx model cartn y ideal: -1.395
chem comp atom.pdbx model cartn z ideal: 1.161
chem comp atom.pdbx ordinal: 22
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C23,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: C23
chem comp atom.comp id: AYK
chem comp atom.alt atom id: C22
chem comp atom.charge: 0
chem comp atom.model cartn x: -26.567
chem comp atom.model cartn y: 18.070
chem comp atom.model cartn z: -8.256
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C23
chem comp atom.pdbx component comp id: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.033
chem comp atom.pdbx model cartn y ideal: 0.615
chem comp atom.pdbx model cartn z ideal: 0.116
chem comp atom.pdbx ordinal: 23
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

O24,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: O24
chem comp atom.comp id: AYK
chem comp atom.alt atom id: O2
chem comp atom.charge: 0
chem comp atom.model cartn x: -27.986
chem comp atom.model cartn y: 15.788
chem comp atom.model cartn z: -7.288
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O24
chem comp atom.pdbx component comp id: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.190
chem comp atom.pdbx model cartn y ideal: 0.689
chem comp atom.pdbx model cartn z ideal: 0.463
chem comp atom.pdbx ordinal: 24
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

N25,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: N25
chem comp atom.comp id: AYK
chem comp atom.alt atom id: N1
chem comp atom.charge: 0
chem comp atom.model cartn x: -26.957
chem comp atom.model cartn y: 17.404
chem comp atom.model cartn z: -9.345
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: N25
chem comp atom.pdbx component comp id: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.221
chem comp atom.pdbx model cartn y ideal: 1.047
chem comp atom.pdbx model cartn z ideal: -0.352
chem comp atom.pdbx ordinal: 25
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

C26,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: C26
chem comp atom.comp id: AYK
chem comp atom.alt atom id: C23
chem comp atom.charge: 0
chem comp atom.model cartn x: -26.052
chem comp atom.model cartn y: 17.038
chem comp atom.model cartn z: -10.439
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C26
chem comp atom.pdbx component comp id: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -7.141
chem comp atom.pdbx model cartn y ideal: 1.764
chem comp atom.pdbx model cartn z ideal: 0.534
chem comp atom.pdbx ordinal: 26
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C27,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: C27
chem comp atom.comp id: AYK
chem comp atom.alt atom id: C24
chem comp atom.charge: 0
chem comp atom.model cartn x: -25.819
chem comp atom.model cartn y: 18.222
chem comp atom.model cartn z: -11.349
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C27
chem comp atom.pdbx component comp id: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -8.062
chem comp atom.pdbx model cartn y ideal: 2.657
chem comp atom.pdbx model cartn z ideal: -0.301
chem comp atom.pdbx ordinal: 27
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C28,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: C28
chem comp atom.comp id: AYK
chem comp atom.alt atom id: C25
chem comp atom.charge: 0
chem comp atom.model cartn x: -26.621
chem comp atom.model cartn y: 15.857
chem comp atom.model cartn z: -11.185
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C28
chem comp atom.pdbx component comp id: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -7.983
chem comp atom.pdbx model cartn y ideal: 0.756
chem comp atom.pdbx model cartn z ideal: 1.318
chem comp atom.pdbx ordinal: 28
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C30,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: C30
chem comp atom.comp id: AYK
chem comp atom.alt atom id: C26
chem comp atom.charge: 0
chem comp atom.model cartn x: -30.811
chem comp atom.model cartn y: 17.840
chem comp atom.model cartn z: -7.053
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C30
chem comp atom.pdbx component comp id: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.282
chem comp atom.pdbx model cartn y ideal: -0.554
chem comp atom.pdbx model cartn z ideal: 0.848
chem comp atom.pdbx ordinal: 29
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

O31,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: O31
chem comp atom.comp id: AYK
chem comp atom.alt atom id: O3
chem comp atom.charge: 0
chem comp atom.model cartn x: -25.463
chem comp atom.model cartn y: 18.602
chem comp atom.model cartn z: -8.166
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O31
chem comp atom.pdbx component comp id: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.727
chem comp atom.pdbx model cartn y ideal: 0.821
chem comp atom.pdbx model cartn z ideal: 1.272
chem comp atom.pdbx ordinal: 30
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

H1,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: H1
chem comp atom.comp id: AYK
chem comp atom.alt atom id: H1
chem comp atom.charge: 0
chem comp atom.model cartn x: -37.339
chem comp atom.model cartn y: 19.234
chem comp atom.model cartn z: -6.736
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: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 6.203
chem comp atom.pdbx model cartn y ideal: -0.730
chem comp atom.pdbx model cartn z ideal: 1.426
chem comp atom.pdbx ordinal: 31
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H2,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: H2
chem comp atom.comp id: AYK
chem comp atom.alt atom id: H2
chem comp atom.charge: 0
chem comp atom.model cartn x: -37.466
chem comp atom.model cartn y: 18.510
chem comp atom.model cartn z: -5.096
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: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 7.066
chem comp atom.pdbx model cartn y ideal: -0.225
chem comp atom.pdbx model cartn z ideal: -0.049
chem comp atom.pdbx ordinal: 32
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H3,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: H3
chem comp atom.comp id: AYK
chem comp atom.alt atom id: H3
chem comp atom.charge: 0
chem comp atom.model cartn x: -38.942
chem comp atom.model cartn y: 20.503
chem comp atom.model cartn z: -5.576
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: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.769
chem comp atom.pdbx model cartn y ideal: 1.629
chem comp atom.pdbx model cartn z ideal: 2.004
chem comp atom.pdbx ordinal: 33
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H4,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: H4
chem comp atom.comp id: AYK
chem comp atom.alt atom id: H4
chem comp atom.charge: 0
chem comp atom.model cartn x: -35.442
chem comp atom.model cartn y: 17.488
chem comp atom.model cartn z: -5.163
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: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.177
chem comp atom.pdbx model cartn y ideal: -1.689
chem comp atom.pdbx model cartn z ideal: 0.678
chem comp atom.pdbx ordinal: 34
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H5,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: H5
chem comp atom.comp id: AYK
chem comp atom.alt atom id: H5
chem comp atom.charge: 0
chem comp atom.model cartn x: -33.544
chem comp atom.model cartn y: 22.011
chem comp atom.model cartn z: -6.671
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: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.907
chem comp atom.pdbx model cartn y ideal: 0.214
chem comp atom.pdbx model cartn z ideal: -2.548
chem comp atom.pdbx ordinal: 35
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H6,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: H6
chem comp atom.comp id: AYK
chem comp atom.alt atom id: H6
chem comp atom.charge: 0
chem comp atom.model cartn x: -33.333
chem comp atom.model cartn y: 20.154
chem comp atom.model cartn z: -6.752
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: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.073
chem comp atom.pdbx model cartn y ideal: 2.061
chem comp atom.pdbx model cartn z ideal: -2.789
chem comp atom.pdbx ordinal: 36
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H7,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: H7
chem comp atom.comp id: AYK
chem comp atom.alt atom id: H7
chem comp atom.charge: 0
chem comp atom.model cartn x: -32.951
chem comp atom.model cartn y: 19.255
chem comp atom.model cartn z: -4.854
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: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.569
chem comp atom.pdbx model cartn y ideal: 0.124
chem comp atom.pdbx model cartn z ideal: -1.347
chem comp atom.pdbx ordinal: 37
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H8,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: H8
chem comp atom.comp id: AYK
chem comp atom.alt atom id: H8
chem comp atom.charge: 0
chem comp atom.model cartn x: -31.050
chem comp atom.model cartn y: 16.402
chem comp atom.model cartn z: -3.878
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: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.393
chem comp atom.pdbx model cartn y ideal: -2.445
chem comp atom.pdbx model cartn z ideal: -1.984
chem comp atom.pdbx ordinal: 38
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H9,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: H9
chem comp atom.comp id: AYK
chem comp atom.alt atom id: H9
chem comp atom.charge: 0
chem comp atom.model cartn x: -30.644
chem comp atom.model cartn y: 14.721
chem comp atom.model cartn z: -5.543
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: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.374
chem comp atom.pdbx model cartn y ideal: -3.094
chem comp atom.pdbx model cartn z ideal: 1.160
chem comp atom.pdbx ordinal: 39
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H10,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: H10
chem comp atom.comp id: AYK
chem comp atom.alt atom id: H10
chem comp atom.charge: 0
chem comp atom.model cartn x: -30.517
chem comp atom.model cartn y: 15.172
chem comp atom.model cartn z: -7.277
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: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.577
chem comp atom.pdbx model cartn y ideal: -3.769
chem comp atom.pdbx model cartn z ideal: -0.286
chem comp atom.pdbx ordinal: 40
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H11,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: H11
chem comp atom.comp id: AYK
chem comp atom.alt atom id: H11
chem comp atom.charge: 0
chem comp atom.model cartn x: -32.826
chem comp atom.model cartn y: 15.926
chem comp atom.model cartn z: -7.312
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: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.806
chem comp atom.pdbx model cartn y ideal: -2.290
chem comp atom.pdbx model cartn z ideal: 2.005
chem comp atom.pdbx ordinal: 41
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H12,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: H12
chem comp atom.comp id: AYK
chem comp atom.alt atom id: H12
chem comp atom.charge: 0
chem comp atom.model cartn x: -32.766
chem comp atom.model cartn y: 14.267
chem comp atom.model cartn z: -6.627
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: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.859
chem comp atom.pdbx model cartn y ideal: -4.041
chem comp atom.pdbx model cartn z ideal: 1.726
chem comp atom.pdbx ordinal: 42
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H13,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: H13
chem comp atom.comp id: AYK
chem comp atom.alt atom id: H13
chem comp atom.charge: 0
chem comp atom.model cartn x: -37.906
chem comp atom.model cartn y: 22.737
chem comp atom.model cartn z: -5.416
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: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 6.892
chem comp atom.pdbx model cartn y ideal: 3.422
chem comp atom.pdbx model cartn z ideal: 0.635
chem comp atom.pdbx ordinal: 43
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H14,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: H14
chem comp atom.comp id: AYK
chem comp atom.alt atom id: H14
chem comp atom.charge: 0
chem comp atom.model cartn x: -37.383
chem comp atom.model cartn y: 21.827
chem comp atom.model cartn z: -6.874
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: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 7.284
chem comp atom.pdbx model cartn y ideal: 2.184
chem comp atom.pdbx model cartn z ideal: -0.580
chem comp atom.pdbx ordinal: 44
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H15,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: H15
chem comp atom.comp id: AYK
chem comp atom.alt atom id: H15
chem comp atom.charge: 0
chem comp atom.model cartn x: -35.816
chem comp atom.model cartn y: 22.134
chem comp atom.model cartn z: -4.264
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: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.480
chem comp atom.pdbx model cartn y ideal: 2.955
chem comp atom.pdbx model cartn z ideal: 0.355
chem comp atom.pdbx ordinal: 45
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H16,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: H16
chem comp atom.comp id: AYK
chem comp atom.alt atom id: H16
chem comp atom.charge: 0
chem comp atom.model cartn x: -35.465
chem comp atom.model cartn y: 22.954
chem comp atom.model cartn z: -5.823
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: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.214
chem comp atom.pdbx model cartn y ideal: 3.368
chem comp atom.pdbx model cartn z ideal: -1.215
chem comp atom.pdbx ordinal: 46
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H17,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: H17
chem comp atom.comp id: AYK
chem comp atom.alt atom id: H17
chem comp atom.charge: 0
chem comp atom.model cartn x: -38.334
chem comp atom.model cartn y: 19.839
chem comp atom.model cartn z: -3.425
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: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 7.870
chem comp atom.pdbx model cartn y ideal: 0.698
chem comp atom.pdbx model cartn z ideal: 2.651
chem comp atom.pdbx ordinal: 47
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H18,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: H18
chem comp atom.comp id: AYK
chem comp atom.alt atom id: H18
chem comp atom.charge: 0
chem comp atom.model cartn x: -34.311
chem comp atom.model cartn y: 15.836
chem comp atom.model cartn z: -5.376
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: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.108
chem comp atom.pdbx model cartn y ideal: -3.777
chem comp atom.pdbx model cartn z ideal: -0.307
chem comp atom.pdbx ordinal: 48
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H19,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: H19
chem comp atom.comp id: AYK
chem comp atom.alt atom id: H19
chem comp atom.charge: 0
chem comp atom.model cartn x: -33.012
chem comp atom.model cartn y: 15.133
chem comp atom.model cartn z: -4.354
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: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.895
chem comp atom.pdbx model cartn y ideal: -2.756
chem comp atom.pdbx model cartn z ideal: 0.916
chem comp atom.pdbx ordinal: 49
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H20,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: H20
chem comp atom.comp id: AYK
chem comp atom.alt atom id: H20
chem comp atom.charge: 0
chem comp atom.model cartn x: -28.914
chem comp atom.model cartn y: 16.078
chem comp atom.model cartn z: -4.680
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: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.342
chem comp atom.pdbx model cartn y ideal: -2.135
chem comp atom.pdbx model cartn z ideal: -1.354
chem comp atom.pdbx ordinal: 50
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H21,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: H21
chem comp atom.comp id: AYK
chem comp atom.alt atom id: H21
chem comp atom.charge: 0
chem comp atom.model cartn x: -28.415
chem comp atom.model cartn y: 18.023
chem comp atom.model cartn z: -3.557
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: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.700
chem comp atom.pdbx model cartn y ideal: -0.718
chem comp atom.pdbx model cartn z ideal: -3.056
chem comp atom.pdbx ordinal: 51
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H22,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: H22
chem comp atom.comp id: AYK
chem comp atom.alt atom id: H22
chem comp atom.charge: 0
chem comp atom.model cartn x: -28.628
chem comp atom.model cartn y: 19.063
chem comp atom.model cartn z: -5.006
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: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.785
chem comp atom.pdbx model cartn y ideal: 0.686
chem comp atom.pdbx model cartn z ideal: -1.954
chem comp atom.pdbx ordinal: 52
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H23,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: H23
chem comp atom.comp id: AYK
chem comp atom.alt atom id: H23
chem comp atom.charge: 0
chem comp atom.model cartn x: -30.873
chem comp atom.model cartn y: 19.372
chem comp atom.model cartn z: -4.529
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: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.509
chem comp atom.pdbx model cartn y ideal: 0.566
chem comp atom.pdbx model cartn z ideal: -1.423
chem comp atom.pdbx ordinal: 53
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H24,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: H24
chem comp atom.comp id: AYK
chem comp atom.alt atom id: H24
chem comp atom.charge: 0
chem comp atom.model cartn x: -30.595
chem comp atom.model cartn y: 18.532
chem comp atom.model cartn z: -2.965
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: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.608
chem comp atom.pdbx model cartn y ideal: -0.266
chem comp atom.pdbx model cartn z ideal: -3.010
chem comp atom.pdbx ordinal: 54
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H25,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: H25
chem comp atom.comp id: AYK
chem comp atom.alt atom id: H25
chem comp atom.charge: 0
chem comp atom.model cartn x: -27.254
chem comp atom.model cartn y: 18.942
chem comp atom.model cartn z: -6.437
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: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.821
chem comp atom.pdbx model cartn y ideal: 0.517
chem comp atom.pdbx model cartn z ideal: -1.637
chem comp atom.pdbx ordinal: 55
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H26,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: H26
chem comp atom.comp id: AYK
chem comp atom.alt atom id: H26
chem comp atom.charge: 0
chem comp atom.model cartn x: -28.552
chem comp atom.model cartn y: 18.431
chem comp atom.model cartn z: -7.569
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: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.569
chem comp atom.pdbx model cartn y ideal: -1.027
chem comp atom.pdbx model cartn z ideal: -1.164
chem comp atom.pdbx ordinal: 56
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H27,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: H27
chem comp atom.comp id: AYK
chem comp atom.alt atom id: H27
chem comp atom.charge: 0
chem comp atom.model cartn x: -26.291
chem comp atom.model cartn y: 17.302
chem comp atom.model cartn z: -4.821
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: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.293
chem comp atom.pdbx model cartn y ideal: -1.662
chem comp atom.pdbx model cartn z ideal: 1.713
chem comp atom.pdbx ordinal: 57
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H28,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: H28
chem comp atom.comp id: AYK
chem comp atom.alt atom id: H28
chem comp atom.charge: 0
chem comp atom.model cartn x: -26.624
chem comp atom.model cartn y: 15.552
chem comp atom.model cartn z: -5.045
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: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.879
chem comp atom.pdbx model cartn y ideal: -0.861
chem comp atom.pdbx model cartn z ideal: 1.820
chem comp atom.pdbx ordinal: 58
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H29,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: H29
chem comp atom.comp id: AYK
chem comp atom.alt atom id: H29
chem comp atom.charge: 0
chem comp atom.model cartn x: -25.649
chem comp atom.model cartn y: 16.443
chem comp atom.model cartn z: -6.262
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: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.677
chem comp atom.pdbx model cartn y ideal: -2.300
chem comp atom.pdbx model cartn z ideal: 0.792
chem comp atom.pdbx ordinal: 59
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H30,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: H30
chem comp atom.comp id: AYK
chem comp atom.alt atom id: H30
chem comp atom.charge: 0
chem comp atom.model cartn x: -28.106
chem comp atom.model cartn y: 14.967
chem comp atom.model cartn z: -6.825
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H30
chem comp atom.pdbx component comp id: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.925
chem comp atom.pdbx model cartn y ideal: 1.306
chem comp atom.pdbx model cartn z ideal: -0.233
chem comp atom.pdbx ordinal: 60
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H31,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: H31
chem comp atom.comp id: AYK
chem comp atom.alt atom id: H31
chem comp atom.charge: 0
chem comp atom.model cartn x: -27.919
chem comp atom.model cartn y: 17.140
chem comp atom.model cartn z: -9.419
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H31
chem comp atom.pdbx component comp id: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.466
chem comp atom.pdbx model cartn y ideal: 0.883
chem comp atom.pdbx model cartn z ideal: -1.276
chem comp atom.pdbx ordinal: 61
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H32,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: H32
chem comp atom.comp id: AYK
chem comp atom.alt atom id: H32
chem comp atom.charge: 0
chem comp atom.model cartn x: -25.084
chem comp atom.model cartn y: 16.739
chem comp atom.model cartn z: -10.011
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H32
chem comp atom.pdbx component comp id: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.571
chem comp atom.pdbx model cartn y ideal: 2.380
chem comp atom.pdbx model cartn z ideal: 1.229
chem comp atom.pdbx ordinal: 62
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H33,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: H33
chem comp atom.comp id: AYK
chem comp atom.alt atom id: H33
chem comp atom.charge: 0
chem comp atom.model cartn x: -25.405
chem comp atom.model cartn y: 19.058
chem comp atom.model cartn z: -10.766
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H33
chem comp atom.pdbx component comp id: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -8.632
chem comp atom.pdbx model cartn y ideal: 2.041
chem comp atom.pdbx model cartn z ideal: -0.996
chem comp atom.pdbx ordinal: 63
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H34,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: H34
chem comp atom.comp id: AYK
chem comp atom.alt atom id: H34
chem comp atom.charge: 0
chem comp atom.model cartn x: -25.110
chem comp atom.model cartn y: 17.941
chem comp atom.model cartn z: -12.141
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H34
chem comp atom.pdbx component comp id: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -8.746
chem comp atom.pdbx model cartn y ideal: 3.190
chem comp atom.pdbx model cartn z ideal: 0.358
chem comp atom.pdbx ordinal: 64
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H35,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: H35
chem comp atom.comp id: AYK
chem comp atom.alt atom id: H35
chem comp atom.charge: 0
chem comp atom.model cartn x: -26.773
chem comp atom.model cartn y: 18.529
chem comp atom.model cartn z: -11.803
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H35
chem comp atom.pdbx component comp id: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -7.462
chem comp atom.pdbx model cartn y ideal: 3.375
chem comp atom.pdbx model cartn z ideal: -0.860
chem comp atom.pdbx ordinal: 65
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H36,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: H36
chem comp atom.comp id: AYK
chem comp atom.alt atom id: H36
chem comp atom.charge: 0
chem comp atom.model cartn x: -26.774
chem comp atom.model cartn y: 15.021
chem comp atom.model cartn z: -10.487
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H36
chem comp atom.pdbx component comp id: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -7.328
chem comp atom.pdbx model cartn y ideal: 0.120
chem comp atom.pdbx model cartn z ideal: 1.913
chem comp atom.pdbx ordinal: 66
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H37,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: H37
chem comp atom.comp id: AYK
chem comp atom.alt atom id: H37
chem comp atom.charge: 0
chem comp atom.model cartn x: -27.584
chem comp atom.model cartn y: 16.138
chem comp atom.model cartn z: -11.637
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H37
chem comp atom.pdbx component comp id: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -8.668
chem comp atom.pdbx model cartn y ideal: 1.289
chem comp atom.pdbx model cartn z ideal: 1.978
chem comp atom.pdbx ordinal: 67
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H38,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: H38
chem comp atom.comp id: AYK
chem comp atom.alt atom id: H38
chem comp atom.charge: 0
chem comp atom.model cartn x: -25.920
chem comp atom.model cartn y: 15.551
chem comp atom.model cartn z: -11.976
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H38
chem comp atom.pdbx component comp id: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -8.554
chem comp atom.pdbx model cartn y ideal: 0.140
chem comp atom.pdbx model cartn z ideal: 0.623
chem comp atom.pdbx ordinal: 68
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H39,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: H39
chem comp atom.comp id: AYK
chem comp atom.alt atom id: H39
chem comp atom.charge: 0
chem comp atom.model cartn x: -30.473
chem comp atom.model cartn y: 18.847
chem comp atom.model cartn z: -6.767
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H39
chem comp atom.pdbx component comp id: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.056
chem comp atom.pdbx model cartn y ideal: -0.555
chem comp atom.pdbx model cartn z ideal: 1.615
chem comp atom.pdbx ordinal: 69
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H40,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: H40
chem comp atom.comp id: AYK
chem comp atom.alt atom id: H40
chem comp atom.charge: 0
chem comp atom.model cartn x: -30.286
chem comp atom.model cartn y: 17.522
chem comp atom.model cartn z: -7.966
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H40
chem comp atom.pdbx component comp id: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.685
chem comp atom.pdbx model cartn y ideal: -0.764
chem comp atom.pdbx model cartn z ideal: 1.307
chem comp atom.pdbx ordinal: 70
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H41,AYK
type: chem comp atom
of datablock: AYK
reference to chem comp: chem comp
chem comp atom.atom id: H41
chem comp atom.comp id: AYK
chem comp atom.alt atom id: H41
chem comp atom.charge: 0
chem comp atom.model cartn x: -31.895
chem comp atom.model cartn y: 17.857
chem comp atom.model cartn z: -7.240
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H41
chem comp atom.pdbx component comp id: AYK
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.250
chem comp atom.pdbx model cartn y ideal: 0.422
chem comp atom.pdbx model cartn z ideal: 0.365
chem comp atom.pdbx ordinal: 71
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

C27,C26,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C27
chem comp bond.atom id 2: C26
chem comp bond.comp id: AYK
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 1
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C28,C26,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C28
chem comp bond.atom id 2: C26
chem comp bond.comp id: AYK
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

C26,N25,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C26
chem comp bond.atom id 2: N25
chem comp bond.comp id: AYK
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

N25,C23,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: N25
chem comp bond.atom id 2: C23
chem comp bond.comp id: AYK
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

C23,O31,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C23
chem comp bond.atom id 2: O31
chem comp bond.comp id: AYK
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: doub

C23,C21,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C23
chem comp bond.atom id 2: C21
chem comp bond.comp id: AYK
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

O24,C20,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: O24
chem comp bond.atom id 2: C20
chem comp bond.comp id: AYK
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 7
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C21,C20,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: C20
chem comp bond.comp id: AYK
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

C30,C13,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C30
chem comp bond.atom id 2: C13
chem comp bond.comp id: AYK
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

C15,C14,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: C14
chem comp bond.comp id: AYK
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 10
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C15,C16,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: C16
chem comp bond.comp id: AYK
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

C8,C3,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: C3
chem comp bond.comp id: AYK
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: doub

C20,C22,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: C22
chem comp bond.comp id: AYK
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

C20,C17,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: C17
chem comp bond.comp id: AYK
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

C14,C13,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: C13
chem comp bond.comp id: AYK
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

C13,C17,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: C17
chem comp bond.comp id: AYK
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

C13,C12,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: C12
chem comp bond.comp id: AYK
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

C3,C4,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: C4
chem comp bond.comp id: AYK
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 18
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C3,C2,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: C2
chem comp bond.comp id: AYK
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 19
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C1,C2,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: C2
chem comp bond.comp id: AYK
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

C1,C6,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: C6
chem comp bond.comp id: AYK
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

C5,C4,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: C4
chem comp bond.comp id: AYK
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

C5,C6,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: C6
chem comp bond.comp id: AYK
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 23
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C4,C7,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: C7
chem comp bond.comp id: AYK
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 24
chem comp bond.pdbx stereo config: Z
chem comp bond.value order: doub

C17,C18,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: C18
chem comp bond.comp id: AYK
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

C7,C10,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: C10
chem comp bond.comp id: AYK
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

C6,O9,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: O9
chem comp bond.comp id: AYK
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

C16,C11,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: C11
chem comp bond.comp id: AYK
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

C10,C11,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: C11
chem comp bond.comp id: AYK
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 29
chem comp bond.pdbx stereo config: E
chem comp bond.value order: doub

C11,C12,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: C12
chem comp bond.comp id: AYK
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

C12,C19,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: C19
chem comp bond.comp id: AYK
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

C18,C19,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: C19
chem comp bond.comp id: AYK
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

C5,H1,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: H1
chem comp bond.comp id: AYK
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

C5,H2,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: H2
chem comp bond.comp id: AYK
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

C6,H3,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H3
chem comp bond.comp id: AYK
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

C7,H4,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: H4
chem comp bond.comp id: AYK
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

C8,H5,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: H5
chem comp bond.comp id: AYK
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

C8,H6,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: H6
chem comp bond.comp id: AYK
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 38
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C10,H7,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: H7
chem comp bond.comp id: AYK
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

C12,H8,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: H8
chem comp bond.comp id: AYK
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

C14,H9,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: H9
chem comp bond.comp id: AYK
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 41
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C14,H10,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: H10
chem comp bond.comp id: AYK
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 42
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C15,H11,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: H11
chem comp bond.comp id: AYK
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

C15,H12,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: H12
chem comp bond.comp id: AYK
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

C1,H13,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H13
chem comp bond.comp id: AYK
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

C1,H14,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H14
chem comp bond.comp id: AYK
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

C2,H15,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: H15
chem comp bond.comp id: AYK
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

C2,H16,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: H16
chem comp bond.comp id: AYK
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

O9,H17,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: O9
chem comp bond.atom id 2: H17
chem comp bond.comp id: AYK
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

C16,H18,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: H18
chem comp bond.comp id: AYK
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

C16,H19,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: H19
chem comp bond.comp id: AYK
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

C17,H20,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: H20
chem comp bond.comp id: AYK
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

C18,H21,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: H21
chem comp bond.comp id: AYK
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

C18,H22,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: H22
chem comp bond.comp id: AYK
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

C19,H23,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: H23
chem comp bond.comp id: AYK
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

C19,H24,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: H24
chem comp bond.comp id: AYK
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

C21,H25,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: H25
chem comp bond.comp id: AYK
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

C21,H26,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: H26
chem comp bond.comp id: AYK
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

C22,H27,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C22
chem comp bond.atom id 2: H27
chem comp bond.comp id: AYK
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

C22,H28,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C22
chem comp bond.atom id 2: H28
chem comp bond.comp id: AYK
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

C22,H29,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C22
chem comp bond.atom id 2: H29
chem comp bond.comp id: AYK
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

O24,H30,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: O24
chem comp bond.atom id 2: H30
chem comp bond.comp id: AYK
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

N25,H31,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: N25
chem comp bond.atom id 2: H31
chem comp bond.comp id: AYK
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

C26,H32,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C26
chem comp bond.atom id 2: H32
chem comp bond.comp id: AYK
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

C27,H33,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C27
chem comp bond.atom id 2: H33
chem comp bond.comp id: AYK
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

C27,H34,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C27
chem comp bond.atom id 2: H34
chem comp bond.comp id: AYK
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,H35,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C27
chem comp bond.atom id 2: H35
chem comp bond.comp id: AYK
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

C28,H36,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C28
chem comp bond.atom id 2: H36
chem comp bond.comp id: AYK
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 68
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C28,H37,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C28
chem comp bond.atom id 2: H37
chem comp bond.comp id: AYK
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 69
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C28,H38,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C28
chem comp bond.atom id 2: H38
chem comp bond.comp id: AYK
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 70
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C30,H39,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C30
chem comp bond.atom id 2: H39
chem comp bond.comp id: AYK
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 71
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C30,H40,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C30
chem comp bond.atom id 2: H40
chem comp bond.comp id: AYK
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 72
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C30,H41,AYK
type: chem comp bond
of datablock: AYK
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/AYK/chem_comp_atom/,
chem comp bond.atom id 1: C30
chem comp bond.atom id 2: H41
chem comp bond.comp id: AYK
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 73
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

Create component,AYK,2017-08-31
type: pdbx chem comp audit
of datablock: AYK
reference to chem comp: chem comp
pdbx chem comp audit.action type: Create component
pdbx chem comp audit.comp id: AYK
pdbx chem comp audit.date: 2017-08-31
pdbx chem comp audit.processing site: EBI

Initial release,AYK,2018-02-07
type: pdbx chem comp audit
of datablock: AYK
reference to chem comp: chem comp
pdbx chem comp audit.action type: Initial release
pdbx chem comp audit.comp id: AYK
pdbx chem comp audit.date: 2018-02-07
pdbx chem comp audit.processing site: RCSB

AYK,InChI,1.03,InChI
type: pdbx chem comp descriptor
of datablock: AYK
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: AYK
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/C26H41NO3/c1-17(2)27-24(29)16-26(5,30)23-13-12-22-19(7-6-14-25(22,23)4)9-10-20-15-21(28)11-8-18(20)3/h9-10,17,21-23,28,30H,3,6-8,11-16H2,1-2,4-5H3,(H,27,29)/b19-9+,20-10-/t21-,22-,23-,25-,26-/m0/s1

AYK,InChI,1.03,InChIKey
type: pdbx chem comp descriptor
of datablock: AYK
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: AYK
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: CSLRSUXCVDRFJS-YDGCZWIRSA-N

AYK,CACTVS,3.385,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: AYK
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: AYK
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: CC(C)NC(=O)C[C@](C)(O)[C@H]1CC[C@H]2/C(CCC[C@]12C)=C/C=C3/C[C@@H](O)CCC3=C

AYK,CACTVS,3.385,SMILES
type: pdbx chem comp descriptor
of datablock: AYK
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: AYK
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: CC(C)NC(=O)C[C](C)(O)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)CCC3=C

AYK,OpenEye OEToolkits,2.0.6,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: AYK
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: AYK
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: CC(C)NC(=O)C[C@@](C)([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C)O

AYK,OpenEye OEToolkits,2.0.6,SMILES
type: pdbx chem comp descriptor
of datablock: AYK
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: AYK
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: CC(C)NC(=O)CC(C)(C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C)O

AYK,OpenEye OEToolkits,2.0.6,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: AYK
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: AYK
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: (3~{S})-3-[(1~{S},3~{a}~{S},4~{E},7~{a}~{S})-7~{a}-methyl-4-[(2~{Z})-2-[(5~{S})-2-methylidene-5-oxidanyl-cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]-3-oxidanyl-~{N}-propan-2-yl-butanamide