(~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
type: datablock
datablock name: 8TZ
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

8TZ
type: chem comp
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
chem comp.id: 8TZ
chem comp.formula: C13 H15 F N2 O
chem comp.formula weight: 234.269
chem comp.name: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
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: 2017-03-08
chem comp.pdbx model coordinates db code: 5NDD
chem comp.pdbx model coordinates missing flag: N
chem comp.pdbx modified date: 2017-04-28
chem comp.pdbx processing site: EBI
chem comp.pdbx release status: REL
chem comp.pdbx type: HETAIN
chem comp.three letter code: 8TZ
chem comp.type: non-polymer

C1,8TZ
type: chem comp atom
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
chem comp atom.atom id: C1
chem comp atom.comp id: 8TZ
chem comp atom.alt atom id: C1
chem comp atom.charge: 0
chem comp atom.model cartn x: 14.509
chem comp atom.model cartn y: 6.753
chem comp atom.model cartn z: 55.807
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: 8TZ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.344
chem comp atom.pdbx model cartn y ideal: 0.213
chem comp atom.pdbx model cartn z ideal: -0.705
chem comp atom.pdbx ordinal: 1
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C2,8TZ
type: chem comp atom
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
chem comp atom.atom id: C2
chem comp atom.comp id: 8TZ
chem comp atom.alt atom id: C2
chem comp atom.charge: 0
chem comp atom.model cartn x: 14.174
chem comp atom.model cartn y: 5.788
chem comp atom.model cartn z: 54.814
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: 8TZ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.903
chem comp atom.pdbx model cartn y ideal: -1.015
chem comp atom.pdbx model cartn z ideal: -0.396
chem comp atom.pdbx ordinal: 2
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C3,8TZ
type: chem comp atom
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
chem comp atom.atom id: C3
chem comp atom.comp id: 8TZ
chem comp atom.alt atom id: C3
chem comp atom.charge: 0
chem comp atom.model cartn x: 15.168
chem comp atom.model cartn y: 4.943
chem comp atom.model cartn z: 54.287
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: 8TZ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.207
chem comp atom.pdbx model cartn y ideal: -1.912
chem comp atom.pdbx model cartn z ideal: 0.398
chem comp atom.pdbx ordinal: 3
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C4,8TZ
type: chem comp atom
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
chem comp atom.atom id: C4
chem comp atom.comp id: 8TZ
chem comp atom.alt atom id: C4
chem comp atom.charge: 0
chem comp atom.model cartn x: 16.485
chem comp atom.model cartn y: 5.052
chem comp atom.model cartn z: 54.742
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: 8TZ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.956
chem comp atom.pdbx model cartn y ideal: -1.579
chem comp atom.pdbx model cartn z ideal: 0.881
chem comp atom.pdbx ordinal: 4
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C5,8TZ
type: chem comp atom
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
chem comp atom.atom id: C5
chem comp atom.comp id: 8TZ
chem comp atom.alt atom id: C5
chem comp atom.charge: 0
chem comp atom.model cartn x: 16.819
chem comp atom.model cartn y: 6.007
chem comp atom.model cartn z: 55.725
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: 8TZ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.398
chem comp atom.pdbx model cartn y ideal: -0.352
chem comp atom.pdbx model cartn z ideal: 0.571
chem comp atom.pdbx ordinal: 5
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C6,8TZ
type: chem comp atom
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
chem comp atom.atom id: C6
chem comp atom.comp id: 8TZ
chem comp atom.alt atom id: C6
chem comp atom.charge: 0
chem comp atom.model cartn x: 15.822
chem comp atom.model cartn y: 6.854
chem comp atom.model cartn z: 56.257
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C6
chem comp atom.pdbx component comp id: 8TZ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.092
chem comp atom.pdbx model cartn y ideal: 0.543
chem comp atom.pdbx model cartn z ideal: -0.221
chem comp atom.pdbx ordinal: 6
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C7,8TZ
type: chem comp atom
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
chem comp atom.atom id: C7
chem comp atom.comp id: 8TZ
chem comp atom.alt atom id: C7
chem comp atom.charge: 0
chem comp atom.model cartn x: 16.189
chem comp atom.model cartn y: 7.893
chem comp atom.model cartn z: 57.329
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: 8TZ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.486
chem comp atom.pdbx model cartn y ideal: 1.883
chem comp atom.pdbx model cartn z ideal: -0.552
chem comp atom.pdbx ordinal: 7
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C8,8TZ
type: chem comp atom
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
chem comp atom.atom id: C8
chem comp atom.comp id: 8TZ
chem comp atom.alt atom id: C8
chem comp atom.charge: 0
chem comp atom.model cartn x: 15.767
chem comp atom.model cartn y: 9.296
chem comp atom.model cartn z: 56.853
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: 8TZ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.782
chem comp atom.pdbx model cartn y ideal: 2.869
chem comp atom.pdbx model cartn z ideal: 0.580
chem comp atom.pdbx ordinal: 8
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C9,8TZ
type: chem comp atom
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
chem comp atom.atom id: C9
chem comp atom.comp id: 8TZ
chem comp atom.alt atom id: C9
chem comp atom.charge: 0
chem comp atom.model cartn x: 18.236
chem comp atom.model cartn y: 6.113
chem comp atom.model cartn z: 56.207
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: 8TZ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.967
chem comp atom.pdbx model cartn y ideal: 0.009
chem comp atom.pdbx model cartn z ideal: 1.097
chem comp atom.pdbx ordinal: 9
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C

C10,8TZ
type: chem comp atom
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
chem comp atom.atom id: C10
chem comp atom.comp id: 8TZ
chem comp atom.alt atom id: C10
chem comp atom.charge: 0
chem comp atom.model cartn x: 18.940
chem comp atom.model cartn y: 4.779
chem comp atom.model cartn z: 56.002
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C10
chem comp atom.pdbx component comp id: 8TZ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.009
chem comp atom.pdbx model cartn y ideal: -0.323
chem comp atom.pdbx model cartn z ideal: 0.061
chem comp atom.pdbx ordinal: 10
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

O1,8TZ
type: chem comp atom
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
chem comp atom.atom id: O1
chem comp atom.comp id: 8TZ
chem comp atom.alt atom id: O1
chem comp atom.charge: 0
chem comp atom.model cartn x: 18.917
chem comp atom.model cartn y: 7.111
chem comp atom.model cartn z: 55.481
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: 8TZ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.229
chem comp atom.pdbx model cartn y ideal: -0.733
chem comp atom.pdbx model cartn z ideal: 2.291
chem comp atom.pdbx ordinal: 11
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

N1,8TZ
type: chem comp atom
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
chem comp atom.atom id: N1
chem comp atom.comp id: 8TZ
chem comp atom.alt atom id: N1
chem comp atom.charge: 0
chem comp atom.model cartn x: 19.823
chem comp atom.model cartn y: 4.492
chem comp atom.model cartn z: 55.017
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: 8TZ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.091
chem comp atom.pdbx model cartn y ideal: -1.107
chem comp atom.pdbx model cartn z ideal: 0.255
chem comp atom.pdbx ordinal: 12
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

C11,8TZ
type: chem comp atom
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
chem comp atom.atom id: C11
chem comp atom.comp id: 8TZ
chem comp atom.alt atom id: C11
chem comp atom.charge: 0
chem comp atom.model cartn x: 20.221
chem comp atom.model cartn y: 3.210
chem comp atom.model cartn z: 55.182
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C11
chem comp atom.pdbx component comp id: 8TZ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.777
chem comp atom.pdbx model cartn y ideal: -1.152
chem comp atom.pdbx model cartn z ideal: -0.928
chem comp atom.pdbx ordinal: 13
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C12,8TZ
type: chem comp atom
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
chem comp atom.atom id: C12
chem comp atom.comp id: 8TZ
chem comp atom.alt atom id: C12
chem comp atom.charge: 0
chem comp atom.model cartn x: 19.581
chem comp atom.model cartn y: 2.707
chem comp atom.model cartn z: 56.268
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C12
chem comp atom.pdbx component comp id: 8TZ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.091
chem comp atom.pdbx model cartn y ideal: -0.394
chem comp atom.pdbx model cartn z ideal: -1.805
chem comp atom.pdbx ordinal: 14
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

N2,8TZ
type: chem comp atom
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
chem comp atom.atom id: N2
chem comp atom.comp id: 8TZ
chem comp atom.alt atom id: N2
chem comp atom.charge: 0
chem comp atom.model cartn x: 18.791
chem comp atom.model cartn y: 3.674
chem comp atom.model cartn z: 56.774
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: N2
chem comp atom.pdbx component comp id: 8TZ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.019
chem comp atom.pdbx model cartn y ideal: 0.105
chem comp atom.pdbx model cartn z ideal: -1.172
chem comp atom.pdbx ordinal: 15
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

F1,8TZ
type: chem comp atom
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
chem comp atom.atom id: F1
chem comp atom.comp id: 8TZ
chem comp atom.alt atom id: F1
chem comp atom.charge: 0
chem comp atom.model cartn x: 12.889
chem comp atom.model cartn y: 5.683
chem comp atom.model cartn z: 54.373
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: F1
chem comp atom.pdbx component comp id: 8TZ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.127
chem comp atom.pdbx model cartn y ideal: -1.340
chem comp atom.pdbx model cartn z ideal: -0.868
chem comp atom.pdbx ordinal: 16
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: F

C13,8TZ
type: chem comp atom
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
chem comp atom.atom id: C13
chem comp atom.comp id: 8TZ
chem comp atom.alt atom id: C13
chem comp atom.charge: 0
chem comp atom.model cartn x: 16.232
chem comp atom.model cartn y: 10.379
chem comp atom.model cartn z: 57.931
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: 8TZ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.167
chem comp atom.pdbx model cartn y ideal: 4.230
chem comp atom.pdbx model cartn z ideal: 0.244
chem comp atom.pdbx ordinal: 17
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

H1,8TZ
type: chem comp atom
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
chem comp atom.atom id: H1
chem comp atom.comp id: 8TZ
chem comp atom.alt atom id: H1
chem comp atom.charge: 0
chem comp atom.model cartn x: 13.747
chem comp atom.model cartn y: 7.404
chem comp atom.model cartn z: 56.209
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: 8TZ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.888
chem comp atom.pdbx model cartn y ideal: 0.914
chem comp atom.pdbx model cartn z ideal: -1.320
chem comp atom.pdbx ordinal: 18
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H2,8TZ
type: chem comp atom
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
chem comp atom.atom id: H2
chem comp atom.comp id: 8TZ
chem comp atom.alt atom id: H2
chem comp atom.charge: 0
chem comp atom.model cartn x: 14.914
chem comp atom.model cartn y: 4.212
chem comp atom.model cartn z: 53.533
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: 8TZ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.642
chem comp atom.pdbx model cartn y ideal: -2.870
chem comp atom.pdbx model cartn z ideal: 0.640
chem comp atom.pdbx ordinal: 19
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H3,8TZ
type: chem comp atom
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
chem comp atom.atom id: H3
chem comp atom.comp id: 8TZ
chem comp atom.alt atom id: H3
chem comp atom.charge: 0
chem comp atom.model cartn x: 17.249
chem comp atom.model cartn y: 4.403
chem comp atom.model cartn z: 54.340
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: 8TZ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.413
chem comp atom.pdbx model cartn y ideal: -2.278
chem comp atom.pdbx model cartn z ideal: 1.500
chem comp atom.pdbx ordinal: 20
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H4,8TZ
type: chem comp atom
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
chem comp atom.atom id: H4
chem comp atom.comp id: 8TZ
chem comp atom.alt atom id: H4
chem comp atom.charge: 0
chem comp atom.model cartn x: 15.667
chem comp atom.model cartn y: 7.652
chem comp atom.model cartn z: 58.267
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: 8TZ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.916
chem comp atom.pdbx model cartn y ideal: 2.256
chem comp atom.pdbx model cartn z ideal: -1.481
chem comp atom.pdbx ordinal: 21
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H5,8TZ
type: chem comp atom
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
chem comp atom.atom id: H5
chem comp atom.comp id: 8TZ
chem comp atom.alt atom id: H5
chem comp atom.charge: 0
chem comp atom.model cartn x: 17.276
chem comp atom.model cartn y: 7.875
chem comp atom.model cartn z: 57.499
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: 8TZ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.592
chem comp atom.pdbx model cartn y ideal: 1.775
chem comp atom.pdbx model cartn z ideal: -0.667
chem comp atom.pdbx ordinal: 22
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H6,8TZ
type: chem comp atom
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
chem comp atom.atom id: H6
chem comp atom.comp id: 8TZ
chem comp atom.alt atom id: H6
chem comp atom.charge: 0
chem comp atom.model cartn x: 16.241
chem comp atom.model cartn y: 9.514
chem comp atom.model cartn z: 55.885
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: 8TZ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.353
chem comp atom.pdbx model cartn y ideal: 2.496
chem comp atom.pdbx model cartn z ideal: 1.509
chem comp atom.pdbx ordinal: 23
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H7,8TZ
type: chem comp atom
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
chem comp atom.atom id: H7
chem comp atom.comp id: 8TZ
chem comp atom.alt atom id: H7
chem comp atom.charge: 0
chem comp atom.model cartn x: 14.673
chem comp atom.model cartn y: 9.333
chem comp atom.model cartn z: 56.742
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: 8TZ
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: 2.977
chem comp atom.pdbx model cartn z ideal: 0.695
chem comp atom.pdbx ordinal: 24
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H8,8TZ
type: chem comp atom
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
chem comp atom.atom id: H8
chem comp atom.comp id: 8TZ
chem comp atom.alt atom id: H8
chem comp atom.charge: 0
chem comp atom.model cartn x: 18.235
chem comp atom.model cartn y: 6.353
chem comp atom.model cartn z: 57.281
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: 8TZ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.000
chem comp atom.pdbx model cartn y ideal: 1.076
chem comp atom.pdbx model cartn z ideal: 1.318
chem comp atom.pdbx ordinal: 25
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H9,8TZ
type: chem comp atom
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
chem comp atom.atom id: H9
chem comp atom.comp id: 8TZ
chem comp atom.alt atom id: H9
chem comp atom.charge: 0
chem comp atom.model cartn x: 19.813
chem comp atom.model cartn y: 7.173
chem comp atom.model cartn z: 55.791
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: 8TZ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.215
chem comp atom.pdbx model cartn y ideal: -1.692
chem comp atom.pdbx model cartn z ideal: 2.168
chem comp atom.pdbx ordinal: 26
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H10,8TZ
type: chem comp atom
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
chem comp atom.atom id: H10
chem comp atom.comp id: 8TZ
chem comp atom.alt atom id: H10
chem comp atom.charge: 0
chem comp atom.model cartn x: 20.127
chem comp atom.model cartn y: 5.116
chem comp atom.model cartn z: 54.297
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: 8TZ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.336
chem comp atom.pdbx model cartn y ideal: -1.556
chem comp atom.pdbx model cartn z ideal: 1.080
chem comp atom.pdbx ordinal: 27
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H11,8TZ
type: chem comp atom
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
chem comp atom.atom id: H11
chem comp atom.comp id: 8TZ
chem comp atom.alt atom id: H11
chem comp atom.charge: 0
chem comp atom.model cartn x: 20.925
chem comp atom.model cartn y: 2.679
chem comp atom.model cartn z: 54.558
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: 8TZ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.692
chem comp atom.pdbx model cartn y ideal: -1.692
chem comp atom.pdbx model cartn z ideal: -1.122
chem comp atom.pdbx ordinal: 28
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H12,8TZ
type: chem comp atom
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
chem comp atom.atom id: H12
chem comp atom.comp id: 8TZ
chem comp atom.alt atom id: H12
chem comp atom.charge: 0
chem comp atom.model cartn x: 19.687
chem comp atom.model cartn y: 1.706
chem comp atom.model cartn z: 56.659
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: 8TZ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.359
chem comp atom.pdbx model cartn y ideal: -0.215
chem comp atom.pdbx model cartn z ideal: -2.836
chem comp atom.pdbx ordinal: 29
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H14,8TZ
type: chem comp atom
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
chem comp atom.atom id: H14
chem comp atom.comp id: 8TZ
chem comp atom.alt atom id: H14
chem comp atom.charge: 0
chem comp atom.model cartn x: 15.933
chem comp atom.model cartn y: 11.383
chem comp atom.model cartn z: 57.595
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: 8TZ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.596
chem comp atom.pdbx model cartn y ideal: 4.603
chem comp atom.pdbx model cartn z ideal: -0.686
chem comp atom.pdbx ordinal: 30
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H15,8TZ
type: chem comp atom
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
chem comp atom.atom id: H15
chem comp atom.comp id: 8TZ
chem comp atom.alt atom id: H15
chem comp atom.charge: 0
chem comp atom.model cartn x: 15.758
chem comp atom.model cartn y: 10.160
chem comp atom.model cartn z: 58.899
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: 8TZ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.911
chem comp atom.pdbx model cartn y ideal: 4.122
chem comp atom.pdbx model cartn z ideal: 0.128
chem comp atom.pdbx ordinal: 31
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H16,8TZ
type: chem comp atom
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
chem comp atom.atom id: H16
chem comp atom.comp id: 8TZ
chem comp atom.alt atom id: H16
chem comp atom.charge: 0
chem comp atom.model cartn x: 17.326
chem comp atom.model cartn y: 10.340
chem comp atom.model cartn z: 58.041
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: 8TZ
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.378
chem comp atom.pdbx model cartn y ideal: 4.933
chem comp atom.pdbx model cartn z ideal: 1.050
chem comp atom.pdbx ordinal: 32
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

C3,C4,8TZ
type: chem comp bond
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/8TZ/chem_comp_atom/,
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: C4
chem comp bond.comp id: 8TZ
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 1
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C3,C2,8TZ
type: chem comp bond
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/8TZ/chem_comp_atom/,
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: C2
chem comp bond.comp id: 8TZ
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 2
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

F1,C2,8TZ
type: chem comp bond
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/8TZ/chem_comp_atom/,
chem comp bond.atom id 1: F1
chem comp bond.atom id 2: C2
chem comp bond.comp id: 8TZ
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

C4,C5,8TZ
type: chem comp bond
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/8TZ/chem_comp_atom/,
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: C5
chem comp bond.comp id: 8TZ
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 4
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C2,C1,8TZ
type: chem comp bond
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/8TZ/chem_comp_atom/,
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: C1
chem comp bond.comp id: 8TZ
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 5
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

N1,C11,8TZ
type: chem comp bond
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/8TZ/chem_comp_atom/,
chem comp bond.atom id 1: N1
chem comp bond.atom id 2: C11
chem comp bond.comp id: 8TZ
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 6
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N1,C10,8TZ
type: chem comp bond
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/8TZ/chem_comp_atom/,
chem comp bond.atom id 1: N1
chem comp bond.atom id 2: C10
chem comp bond.comp id: 8TZ
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 7
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C11,C12,8TZ
type: chem comp bond
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/8TZ/chem_comp_atom/,
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: C12
chem comp bond.comp id: 8TZ
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 8
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

O1,C9,8TZ
type: chem comp bond
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/8TZ/chem_comp_atom/,
chem comp bond.atom id 1: O1
chem comp bond.atom id 2: C9
chem comp bond.comp id: 8TZ
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

C5,C9,8TZ
type: chem comp bond
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/8TZ/chem_comp_atom/,
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: C9
chem comp bond.comp id: 8TZ
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

C5,C6,8TZ
type: chem comp bond
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/8TZ/chem_comp_atom/,
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: C6
chem comp bond.comp id: 8TZ
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 11
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C1,C6,8TZ
type: chem comp bond
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/8TZ/chem_comp_atom/,
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: C6
chem comp bond.comp id: 8TZ
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 12
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C10,C9,8TZ
type: chem comp bond
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/8TZ/chem_comp_atom/,
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: C9
chem comp bond.comp id: 8TZ
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

C10,N2,8TZ
type: chem comp bond
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/8TZ/chem_comp_atom/,
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: N2
chem comp bond.comp id: 8TZ
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

C6,C7,8TZ
type: chem comp bond
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/8TZ/chem_comp_atom/,
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: C7
chem comp bond.comp id: 8TZ
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

C12,N2,8TZ
type: chem comp bond
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/8TZ/chem_comp_atom/,
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: N2
chem comp bond.comp id: 8TZ
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 16
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C8,C7,8TZ
type: chem comp bond
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/8TZ/chem_comp_atom/,
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: C7
chem comp bond.comp id: 8TZ
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

C8,C13,8TZ
type: chem comp bond
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/8TZ/chem_comp_atom/,
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: C13
chem comp bond.comp id: 8TZ
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

C1,H1,8TZ
type: chem comp bond
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/8TZ/chem_comp_atom/,
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H1
chem comp bond.comp id: 8TZ
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

C3,H2,8TZ
type: chem comp bond
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/8TZ/chem_comp_atom/,
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: H2
chem comp bond.comp id: 8TZ
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

C4,H3,8TZ
type: chem comp bond
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/8TZ/chem_comp_atom/,
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: H3
chem comp bond.comp id: 8TZ
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

C7,H4,8TZ
type: chem comp bond
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/8TZ/chem_comp_atom/,
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: H4
chem comp bond.comp id: 8TZ
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

C7,H5,8TZ
type: chem comp bond
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/8TZ/chem_comp_atom/,
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: H5
chem comp bond.comp id: 8TZ
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

C8,H6,8TZ
type: chem comp bond
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/8TZ/chem_comp_atom/,
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: H6
chem comp bond.comp id: 8TZ
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

C8,H7,8TZ
type: chem comp bond
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/8TZ/chem_comp_atom/,
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: H7
chem comp bond.comp id: 8TZ
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

C9,H8,8TZ
type: chem comp bond
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/8TZ/chem_comp_atom/,
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: H8
chem comp bond.comp id: 8TZ
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

O1,H9,8TZ
type: chem comp bond
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/8TZ/chem_comp_atom/,
chem comp bond.atom id 1: O1
chem comp bond.atom id 2: H9
chem comp bond.comp id: 8TZ
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

N1,H10,8TZ
type: chem comp bond
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/8TZ/chem_comp_atom/,
chem comp bond.atom id 1: N1
chem comp bond.atom id 2: H10
chem comp bond.comp id: 8TZ
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

C11,H11,8TZ
type: chem comp bond
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/8TZ/chem_comp_atom/,
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: H11
chem comp bond.comp id: 8TZ
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 29
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C12,H12,8TZ
type: chem comp bond
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/8TZ/chem_comp_atom/,
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: H12
chem comp bond.comp id: 8TZ
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

C13,H14,8TZ
type: chem comp bond
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/8TZ/chem_comp_atom/,
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: H14
chem comp bond.comp id: 8TZ
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

C13,H15,8TZ
type: chem comp bond
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/8TZ/chem_comp_atom/,
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: H15
chem comp bond.comp id: 8TZ
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

C13,H16,8TZ
type: chem comp bond
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/8TZ/chem_comp_atom/,
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: H16
chem comp bond.comp id: 8TZ
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

Create component,8TZ,2017-03-08
type: pdbx chem comp audit
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
pdbx chem comp audit.action type: Create component
pdbx chem comp audit.comp id: 8TZ
pdbx chem comp audit.date: 2017-03-08
pdbx chem comp audit.processing site: EBI

Initial release,8TZ,2017-05-03
type: pdbx chem comp audit
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
pdbx chem comp audit.action type: Initial release
pdbx chem comp audit.comp id: 8TZ
pdbx chem comp audit.date: 2017-05-03
pdbx chem comp audit.processing site: RCSB

8TZ,InChI,1.03,InChI
type: pdbx chem comp descriptor
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 8TZ
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/C13H15FN2O/c1-2-3-9-8-10(14)4-5-11(9)12(17)13-15-6-7-16-13/h4-8,12,17H,2-3H2,1H3,(H,15,16)/t12-/m0/s1

8TZ,InChI,1.03,InChIKey
type: pdbx chem comp descriptor
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 8TZ
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: IDFPQEHZYBXIFO-LBPRGKRZSA-N

8TZ,CACTVS,3.385,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 8TZ
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: CCCc1cc(F)ccc1[C@H](O)c2[nH]ccn2

8TZ,CACTVS,3.385,SMILES
type: pdbx chem comp descriptor
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 8TZ
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: CCCc1cc(F)ccc1[CH](O)c2[nH]ccn2

8TZ,OpenEye OEToolkits,2.0.6,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 8TZ
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: CCCc1cc(ccc1[C@@H](c2[nH]ccn2)O)F

8TZ,OpenEye OEToolkits,2.0.6,SMILES
type: pdbx chem comp descriptor
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: 8TZ
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: CCCc1cc(ccc1C(c2[nH]ccn2)O)F

8TZ,OpenEye OEToolkits,2.0.6,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: 8TZ
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: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol