A1H1R
type: datablock
title: ethyl 4-[[5-[[4-[4-[[(6~{a}~{S})-2-methoxy-11-oxidanylidene-6~{a},7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-benzothiophen-2-yl]carbonylamino]-1-methyl-imidazole-2-carboxylate
datablock name: A1H1R
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

A1H1R
type: chem comp
of datablock: A1H1R
chem comp.id: A1H1R
chem comp.formula: C39 H40 N8 O8 S
chem comp.formula weight: 780.849
chem comp.name: ethyl 4-[[5-[[4-[4-[[(6~{a}~{S})-2-methoxy-11-oxidanylidene-6~{a},7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-benzothiophen-2-yl]carbonylamino]-1-methyl-imidazole-2-carboxylate
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: 2024-01-03
chem comp.pdbx model coordinates db code: 8RKY
chem comp.pdbx model coordinates missing flag: N
chem comp.pdbx modified date: 2025-01-10
chem comp.pdbx processing site: PDBE
chem comp.pdbx release status: REL
chem comp.pdbx type: HETAIN
chem comp.three letter code: A1H1R
chem comp.type: non-polymer

C10,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: C10
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: C1
chem comp atom.charge: 0
chem comp atom.model cartn x: 15.148
chem comp atom.model cartn y: -24.808
chem comp atom.model cartn z: -19.973
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C10
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 6.522
chem comp atom.pdbx model cartn y ideal: 0.685
chem comp atom.pdbx model cartn z ideal: -0.340
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 1
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C12,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: C12
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: C2
chem comp atom.charge: 0
chem comp atom.model cartn x: 16.088
chem comp atom.model cartn y: -22.506
chem comp atom.model cartn z: -19.646
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C12
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.131
chem comp atom.pdbx model cartn y ideal: 2.757
chem comp atom.pdbx model cartn z ideal: -0.463
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 2
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C13,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: C13
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: C3
chem comp atom.charge: 0
chem comp atom.model cartn x: 15.451
chem comp atom.model cartn y: -21.160
chem comp atom.model cartn z: -19.429
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C13
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.732
chem comp atom.pdbx model cartn y ideal: 3.308
chem comp atom.pdbx model cartn z ideal: -0.359
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 3
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C15,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: C15
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: C4
chem comp atom.charge: 0
chem comp atom.model cartn x: 14.316
chem comp atom.model cartn y: -19.737
chem comp atom.model cartn z: -17.793
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C15
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.208
chem comp atom.pdbx model cartn y ideal: 5.142
chem comp atom.pdbx model cartn z ideal: -0.429
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 4
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C16,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: C16
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: C5
chem comp atom.charge: 0
chem comp atom.model cartn x: 14.161
chem comp atom.model cartn y: -18.605
chem comp atom.model cartn z: -18.537
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C16
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.847
chem comp atom.pdbx model cartn y ideal: 6.444
chem comp atom.pdbx model cartn z ideal: -0.574
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 5
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

N14,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: N14
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: N1
chem comp atom.charge: 0
chem comp atom.model cartn x: 14.990
chem comp atom.model cartn y: -20.914
chem comp atom.model cartn z: -18.159
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: N14
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.514
chem comp atom.pdbx model cartn y ideal: 4.627
chem comp atom.pdbx model cartn z ideal: -0.526
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 6
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

O1,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: O1
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: O1
chem comp atom.charge: 0
chem comp atom.model cartn x: 12.691
chem comp atom.model cartn y: -30.156
chem comp atom.model cartn z: -15.820
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: O1
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 11.380
chem comp atom.pdbx model cartn y ideal: -4.613
chem comp atom.pdbx model cartn z ideal: -0.783
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 7
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

C2,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: C2
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: C6
chem comp atom.charge: 0
chem comp atom.model cartn x: 12.204
chem comp atom.model cartn y: -29.633
chem comp atom.model cartn z: -16.806
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C2
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 11.375
chem comp atom.pdbx model cartn y ideal: -3.497
chem comp atom.pdbx model cartn z ideal: -0.299
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 8
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C3,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: C3
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: C7
chem comp atom.charge: 0
chem comp atom.model cartn x: 12.778
chem comp atom.model cartn y: -28.359
chem comp atom.model cartn z: -17.346
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C3
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 10.123
chem comp atom.pdbx model cartn y ideal: -2.727
chem comp atom.pdbx model cartn z ideal: -0.288
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 9
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C4,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: C4
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: C8
chem comp atom.charge: 0
chem comp atom.model cartn x: 14.107
chem comp atom.model cartn y: -28.109
chem comp atom.model cartn z: -16.990
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C4
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 8.933
chem comp atom.pdbx model cartn y ideal: -3.428
chem comp atom.pdbx model cartn z ideal: -0.038
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 10
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C5,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: C5
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: C9
chem comp atom.charge: 0
chem comp atom.model cartn x: 14.744
chem comp atom.model cartn y: -26.960
chem comp atom.model cartn z: -17.429
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C5
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 7.726
chem comp atom.pdbx model cartn y ideal: -2.765
chem comp atom.pdbx model cartn z ideal: 0.012
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 11
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

O6,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: O6
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: O2
chem comp atom.charge: 0
chem comp atom.model cartn x: 16.047
chem comp atom.model cartn y: -26.639
chem comp atom.model cartn z: -17.166
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: O6
chem comp atom.pdbx component comp id: A1H1R
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: -3.454
chem comp atom.pdbx model cartn z ideal: 0.254
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 12
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

C7,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: C7
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: C10
chem comp atom.charge: 0
chem comp atom.model cartn x: 16.829
chem comp atom.model cartn y: -27.581
chem comp atom.model cartn z: -16.436
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C7
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 6.700
chem comp atom.pdbx model cartn y ideal: -4.865
chem comp atom.pdbx model cartn z ideal: 0.448
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 13
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C8,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: C8
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: C11
chem comp atom.charge: 0
chem comp atom.model cartn x: 14.049
chem comp atom.model cartn y: -26.041
chem comp atom.model cartn z: -18.232
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C8
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 7.682
chem comp atom.pdbx model cartn y ideal: -1.384
chem comp atom.pdbx model cartn z ideal: -0.188
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 14
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

O9,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: O9
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: O3
chem comp atom.charge: 0
chem comp atom.model cartn x: 14.713
chem comp atom.model cartn y: -24.910
chem comp atom.model cartn z: -18.620
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: O9
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 6.494
chem comp atom.pdbx model cartn y ideal: -0.728
chem comp atom.pdbx model cartn z ideal: -0.127
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 15
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

C11,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: C11
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: C12
chem comp atom.charge: 0
chem comp atom.model cartn x: 15.121
chem comp atom.model cartn y: -23.384
chem comp atom.model cartn z: -20.417
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C11
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.102
chem comp atom.pdbx model cartn y ideal: 1.244
chem comp atom.pdbx model cartn z ideal: -0.235
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 16
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

N17,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: N17
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: N2
chem comp atom.charge: 0
chem comp atom.model cartn x: 13.452
chem comp atom.model cartn y: -17.694
chem comp atom.model cartn z: -17.813
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: N17
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.502
chem comp atom.pdbx model cartn y ideal: 6.546
chem comp atom.pdbx model cartn z ideal: -0.410
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 17
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

C18,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: C18
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: C13
chem comp atom.charge: 0
chem comp atom.model cartn x: 13.129
chem comp atom.model cartn y: -16.356
chem comp atom.model cartn z: -18.302
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C18
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.277
chem comp atom.pdbx model cartn y ideal: 7.784
chem comp atom.pdbx model cartn z ideal: -0.491
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 18
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C19,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: C19
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: C14
chem comp atom.charge: 0
chem comp atom.model cartn x: 13.138
chem comp atom.model cartn y: -18.243
chem comp atom.model cartn z: -16.585
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C19
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.008
chem comp atom.pdbx model cartn y ideal: 5.293
chem comp atom.pdbx model cartn z ideal: -0.157
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 19
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C20,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: C20
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: C15
chem comp atom.charge: 0
chem comp atom.model cartn x: 12.293
chem comp atom.model cartn y: -17.564
chem comp atom.model cartn z: -15.563
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C20
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.417
chem comp atom.pdbx model cartn y ideal: 4.964
chem comp atom.pdbx model cartn z ideal: 0.079
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 20
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

N21,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: N21
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: N3
chem comp atom.charge: 0
chem comp atom.model cartn x: 12.501
chem comp atom.model cartn y: -17.994
chem comp atom.model cartn z: -14.287
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: N21
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.764
chem comp atom.pdbx model cartn y ideal: 3.716
chem comp atom.pdbx model cartn z ideal: 0.453
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 21
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

C22,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: C22
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: C16
chem comp atom.charge: 0
chem comp atom.model cartn x: 11.850
chem comp atom.model cartn y: -17.601
chem comp atom.model cartn z: -13.089
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C22
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.115
chem comp atom.pdbx model cartn y ideal: 3.349
chem comp atom.pdbx model cartn z ideal: 0.501
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 22
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C23,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: C23
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: C17
chem comp atom.charge: 0
chem comp atom.model cartn x: 10.835
chem comp atom.model cartn y: -16.643
chem comp atom.model cartn z: -13.054
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C23
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.083
chem comp atom.pdbx model cartn y ideal: 4.307
chem comp atom.pdbx model cartn z ideal: 0.803
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 23
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C24,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: C24
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: C18
chem comp atom.charge: 0
chem comp atom.model cartn x: 10.214
chem comp atom.model cartn y: -16.317
chem comp atom.model cartn z: -11.860
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C24
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.410
chem comp atom.pdbx model cartn y ideal: 3.956
chem comp atom.pdbx model cartn z ideal: 0.852
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 24
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C25,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: C25
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: C19
chem comp atom.charge: 0
chem comp atom.model cartn x: 10.611
chem comp atom.model cartn y: -16.955
chem comp atom.model cartn z: -10.690
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C25
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.803
chem comp atom.pdbx model cartn y ideal: 2.638
chem comp atom.pdbx model cartn z ideal: 0.599
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 25
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

S26,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: S26
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: S1
chem comp atom.charge: 0
chem comp atom.model cartn x: 9.997
chem comp atom.model cartn y: -16.665
chem comp atom.model cartn z: -9.082
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: S26
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -7.404
chem comp atom.pdbx model cartn y ideal: 1.905
chem comp atom.pdbx model cartn z ideal: 0.591
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 26
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: S

C27,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: C27
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: C20
chem comp atom.charge: 0
chem comp atom.model cartn x: 11.123
chem comp atom.model cartn y: -17.837
chem comp atom.model cartn z: -8.424
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C27
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.738
chem comp atom.pdbx model cartn y ideal: 0.334
chem comp atom.pdbx model cartn z ideal: 0.182
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 27
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C28,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: C28
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: C21
chem comp atom.charge: 0
chem comp atom.model cartn x: 11.210
chem comp atom.model cartn y: -17.976
chem comp atom.model cartn z: -6.954
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C28
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -7.534
chem comp atom.pdbx model cartn y ideal: -0.886
chem comp atom.pdbx model cartn z ideal: -0.011
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 28
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

N29,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: N29
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: N4
chem comp atom.charge: 0
chem comp atom.model cartn x: 10.317
chem comp atom.model cartn y: -17.266
chem comp atom.model cartn z: -6.187
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: N29
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -8.874
chem comp atom.pdbx model cartn y ideal: -0.845
chem comp atom.pdbx model cartn z ideal: 0.126
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 29
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

C30,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: C30
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: C22
chem comp atom.charge: 0
chem comp atom.model cartn x: 10.492
chem comp atom.model cartn y: -17.046
chem comp atom.model cartn z: -4.816
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C30
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -9.634
chem comp atom.pdbx model cartn y ideal: -2.010
chem comp atom.pdbx model cartn z ideal: -0.058
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 30
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C31,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: C31
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: C23
chem comp atom.charge: 0
chem comp atom.model cartn x: 11.611
chem comp atom.model cartn y: -17.437
chem comp atom.model cartn z: -4.131
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C31
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -9.144
chem comp atom.pdbx model cartn y ideal: -3.241
chem comp atom.pdbx model cartn z ideal: -0.377
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 31
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

N32,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: N32
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: N5
chem comp atom.charge: 0
chem comp atom.model cartn x: 11.392
chem comp atom.model cartn y: -17.032
chem comp atom.model cartn z: -2.849
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: N32
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -10.209
chem comp atom.pdbx model cartn y ideal: -4.083
chem comp atom.pdbx model cartn z ideal: -0.460
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 32
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

C33,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: C33
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: C24
chem comp atom.charge: 0
chem comp atom.model cartn x: 12.326
chem comp atom.model cartn y: -17.239
chem comp atom.model cartn z: -1.744
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C33
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -10.165
chem comp atom.pdbx model cartn y ideal: -5.513
chem comp atom.pdbx model cartn z ideal: -0.779
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 33
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C34,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: C34
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: C25
chem comp atom.charge: 0
chem comp atom.model cartn x: 10.169
chem comp atom.model cartn y: -16.425
chem comp atom.model cartn z: -2.819
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C34
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -11.327
chem comp atom.pdbx model cartn y ideal: -3.346
chem comp atom.pdbx model cartn z ideal: -0.190
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 34
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C35,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: C35
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: C26
chem comp atom.charge: 0
chem comp atom.model cartn x: 9.571
chem comp atom.model cartn y: -15.858
chem comp atom.model cartn z: -1.584
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C35
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -12.708
chem comp atom.pdbx model cartn y ideal: -3.853
chem comp atom.pdbx model cartn z ideal: -0.168
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 35
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

O36,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: O36
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: O4
chem comp atom.charge: 0
chem comp atom.model cartn x: 8.340
chem comp atom.model cartn y: -15.396
chem comp atom.model cartn z: -1.810
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: O36
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -13.729
chem comp atom.pdbx model cartn y ideal: -3.018
chem comp atom.pdbx model cartn z ideal: 0.114
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 36
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

C37,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: C37
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: C27
chem comp atom.charge: 0
chem comp atom.model cartn x: 7.605
chem comp atom.model cartn y: -14.844
chem comp atom.model cartn z: -0.672
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C37
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -15.065
chem comp atom.pdbx model cartn y ideal: -3.588
chem comp atom.pdbx model cartn z ideal: 0.117
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 37
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C38,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: C38
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: C28
chem comp atom.charge: 0
chem comp atom.model cartn x: 7.615
chem comp atom.model cartn y: -13.382
chem comp atom.model cartn z: -0.780
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C38
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -16.083
chem comp atom.pdbx model cartn y ideal: -2.497
chem comp atom.pdbx model cartn z ideal: 0.455
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 38
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

O39,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: O39
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: O5
chem comp atom.charge: 0
chem comp atom.model cartn x: 10.141
chem comp atom.model cartn y: -15.817
chem comp atom.model cartn z: -0.526
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: O39
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -12.929
chem comp atom.pdbx model cartn y ideal: -5.025
chem comp atom.pdbx model cartn z ideal: -0.404
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 39
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

N40,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: N40
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: N6
chem comp atom.charge: 0
chem comp atom.model cartn x: 9.597
chem comp atom.model cartn y: -16.423
chem comp atom.model cartn z: -4.021
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: N40
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -10.959
chem comp atom.pdbx model cartn y ideal: -2.104
chem comp atom.pdbx model cartn z ideal: 0.053
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 40
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

O41,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: O41
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: O6
chem comp atom.charge: 0
chem comp atom.model cartn x: 12.091
chem comp atom.model cartn y: -18.669
chem comp atom.model cartn z: -6.464
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: O41
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.983
chem comp atom.pdbx model cartn y ideal: -1.933
chem comp atom.pdbx model cartn z ideal: -0.295
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 41
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

C42,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: C42
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: C29
chem comp atom.charge: 0
chem comp atom.model cartn x: 11.887
chem comp atom.model cartn y: -18.395
chem comp atom.model cartn z: -9.380
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C42
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.407
chem comp atom.pdbx model cartn y ideal: 0.400
chem comp atom.pdbx model cartn z ideal: 0.069
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 42
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C43,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: C43
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: C30
chem comp atom.charge: 0
chem comp atom.model cartn x: 11.636
chem comp atom.model cartn y: -17.923
chem comp atom.model cartn z: -10.706
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C43
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.842
chem comp atom.pdbx model cartn y ideal: 1.666
chem comp atom.pdbx model cartn z ideal: 0.294
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 43
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C44,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: C44
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: C31
chem comp atom.charge: 0
chem comp atom.model cartn x: 12.256
chem comp atom.model cartn y: -18.245
chem comp atom.model cartn z: -11.919
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C44
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.480
chem comp atom.pdbx model cartn y ideal: 2.049
chem comp atom.pdbx model cartn z ideal: 0.243
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 44
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

O45,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: O45
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: O7
chem comp atom.charge: 0
chem comp atom.model cartn x: 11.468
chem comp atom.model cartn y: -16.709
chem comp atom.model cartn z: -15.879
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: O45
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.274
chem comp atom.pdbx model cartn y ideal: 5.817
chem comp atom.pdbx model cartn z ideal: -0.062
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 45
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

C46,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: C46
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: C32
chem comp atom.charge: 0
chem comp atom.model cartn x: 13.664
chem comp atom.model cartn y: -19.511
chem comp atom.model cartn z: -16.542
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C46
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.046
chem comp atom.pdbx model cartn y ideal: 4.404
chem comp atom.pdbx model cartn z ideal: -0.159
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 46
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

O47,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: O47
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: O8
chem comp atom.charge: 0
chem comp atom.model cartn x: 15.305
chem comp atom.model cartn y: -20.368
chem comp atom.model cartn z: -20.355
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: O47
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.803
chem comp atom.pdbx model cartn y ideal: 2.564
chem comp atom.pdbx model cartn z ideal: -0.125
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 47
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

C48,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: C48
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: C33
chem comp atom.charge: 0
chem comp atom.model cartn x: 12.736
chem comp atom.model cartn y: -26.290
chem comp atom.model cartn z: -18.584
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C48
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 8.843
chem comp atom.pdbx model cartn y ideal: -0.683
chem comp atom.pdbx model cartn z ideal: -0.445
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 48
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C49,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: C49
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: C34
chem comp atom.charge: 0
chem comp atom.model cartn x: 12.089
chem comp atom.model cartn y: -27.444
chem comp atom.model cartn z: -18.149
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C49
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 10.079
chem comp atom.pdbx model cartn y ideal: -1.344
chem comp atom.pdbx model cartn z ideal: -0.509
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 49
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

N50,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: N50
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: N7
chem comp atom.charge: 0
chem comp atom.model cartn x: 10.764
chem comp atom.model cartn y: -27.598
chem comp atom.model cartn z: -18.597
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: N50
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 11.169
chem comp atom.pdbx model cartn y ideal: -0.585
chem comp atom.pdbx model cartn z ideal: -0.796
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 50
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

C51,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: C51
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: C35
chem comp atom.charge: 0
chem comp atom.model cartn x: 10.392
chem comp atom.model cartn y: -28.680
chem comp atom.model cartn z: -19.199
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C51
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 12.319
chem comp atom.pdbx model cartn y ideal: -0.650
chem comp atom.pdbx model cartn z ideal: -0.258
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 51
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C52,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: C52
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: C36
chem comp atom.charge: 0
chem comp atom.model cartn x: 10.895
chem comp atom.model cartn y: -30.070
chem comp atom.model cartn z: -18.901
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C52
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 12.651
chem comp atom.pdbx model cartn y ideal: -1.662
chem comp atom.pdbx model cartn z ideal: 0.805
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 52
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C

N53,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: N53
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: N8
chem comp atom.charge: 0
chem comp atom.model cartn x: 11.146
chem comp atom.model cartn y: -30.167
chem comp atom.model cartn z: -17.449
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: N53
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 12.512
chem comp atom.pdbx model cartn y ideal: -3.005
chem comp atom.pdbx model cartn z ideal: 0.215
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 53
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

C54,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: C54
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: C37
chem comp atom.charge: 0
chem comp atom.model cartn x: 10.109
chem comp atom.model cartn y: -30.949
chem comp atom.model cartn z: -16.760
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C54
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 13.817
chem comp atom.pdbx model cartn y ideal: -3.684
chem comp atom.pdbx model cartn z ideal: 0.266
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 54
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C55,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: C55
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: C38
chem comp atom.charge: 0
chem comp atom.model cartn x: 9.667
chem comp atom.model cartn y: -31.926
chem comp atom.model cartn z: -17.822
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C55
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 14.597
chem comp atom.pdbx model cartn y ideal: -2.970
chem comp atom.pdbx model cartn z ideal: 1.398
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 55
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C56,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: C56
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: C39
chem comp atom.charge: 0
chem comp atom.model cartn x: 9.829
chem comp atom.model cartn y: -31.156
chem comp atom.model cartn z: -19.129
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: C56
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 14.126
chem comp atom.pdbx model cartn y ideal: -1.503
chem comp atom.pdbx model cartn z ideal: 1.228
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 56
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

H10A,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: H10A
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: H1
chem comp atom.charge: 0
chem comp atom.model cartn x: 16.175
chem comp atom.model cartn y: -25.195
chem comp atom.model cartn z: -20.055
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H10A
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 7.154
chem comp atom.pdbx model cartn y ideal: 1.154
chem comp atom.pdbx model cartn z ideal: 0.413
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 57
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H10B,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: H10B
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: H2
chem comp atom.charge: 0
chem comp atom.model cartn x: 14.480
chem comp atom.model cartn y: -25.401
chem comp atom.model cartn z: -20.615
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H10B
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 6.922
chem comp atom.pdbx model cartn y ideal: 0.895
chem comp atom.pdbx model cartn z ideal: -1.332
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 58
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H12B,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: H12B
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: H3
chem comp atom.charge: 0
chem comp atom.model cartn x: 16.314
chem comp atom.model cartn y: -22.969
chem comp atom.model cartn z: -18.674
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H12B
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.531
chem comp atom.pdbx model cartn y ideal: 2.967
chem comp atom.pdbx model cartn z ideal: -1.455
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 59
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H12A,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: H12A
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: H4
chem comp atom.charge: 0
chem comp atom.model cartn x: 17.018
chem comp atom.model cartn y: -22.387
chem comp atom.model cartn z: -20.221
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H12A
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.763
chem comp atom.pdbx model cartn y ideal: 3.226
chem comp atom.pdbx model cartn z ideal: 0.291
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 60
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H16,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: H16
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: H5
chem comp atom.charge: 0
chem comp atom.model cartn x: 14.539
chem comp atom.model cartn y: -18.455
chem comp atom.model cartn z: -19.538
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H16
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.518
chem comp atom.pdbx model cartn y ideal: 7.263
chem comp atom.pdbx model cartn z ideal: -0.785
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 61
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H14,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: H14
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: H6
chem comp atom.charge: 0
chem comp atom.model cartn x: 15.142
chem comp atom.model cartn y: -21.610
chem comp atom.model cartn z: -17.457
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H14
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.256
chem comp atom.pdbx model cartn y ideal: 5.222
chem comp atom.pdbx model cartn z ideal: -0.713
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 62
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H4,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: H4
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: H7
chem comp atom.charge: 0
chem comp atom.model cartn x: 14.639
chem comp atom.model cartn y: -28.815
chem comp atom.model cartn z: -16.370
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H4
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 8.964
chem comp atom.pdbx model cartn y ideal: -4.496
chem comp atom.pdbx model cartn z ideal: 0.118
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 63
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H7B,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: H7B
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: H8
chem comp atom.charge: 0
chem comp atom.model cartn x: 17.847
chem comp atom.model cartn y: -27.188
chem comp atom.model cartn z: -16.302
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H7B
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.714
chem comp atom.pdbx model cartn y ideal: -5.292
chem comp atom.pdbx model cartn z ideal: 0.631
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 64
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H7C,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: H7C
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: H9
chem comp atom.charge: 0
chem comp atom.model cartn x: 16.370
chem comp atom.model cartn y: -27.753
chem comp atom.model cartn z: -15.451
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H7C
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 7.132
chem comp atom.pdbx model cartn y ideal: -5.319
chem comp atom.pdbx model cartn z ideal: -0.444
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 65
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H7A,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: H7A
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: H10
chem comp atom.charge: 0
chem comp atom.model cartn x: 16.872
chem comp atom.model cartn y: -28.530
chem comp atom.model cartn z: -16.991
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H7A
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 7.345
chem comp atom.pdbx model cartn y ideal: -5.060
chem comp atom.pdbx model cartn z ideal: 1.304
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 66
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H11A,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: H11A
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: H11
chem comp atom.charge: 0
chem comp atom.model cartn x: 15.385
chem comp atom.model cartn y: -23.344
chem comp atom.model cartn z: -21.484
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H11A
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.469
chem comp atom.pdbx model cartn y ideal: 0.775
chem comp atom.pdbx model cartn z ideal: -0.988
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 67
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H11B,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: H11B
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: H12
chem comp atom.charge: 0
chem comp atom.model cartn x: 14.103
chem comp atom.model cartn y: -22.992
chem comp atom.model cartn z: -20.277
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H11B
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.701
chem comp atom.pdbx model cartn y ideal: 1.034
chem comp atom.pdbx model cartn z ideal: 0.757
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 68
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H18C,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: H18C
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: H13
chem comp atom.charge: 0
chem comp atom.model cartn x: 12.553
chem comp atom.model cartn y: -15.815
chem comp atom.model cartn z: -17.537
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H18C
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.575
chem comp atom.pdbx model cartn y ideal: 7.959
chem comp atom.pdbx model cartn z ideal: -1.525
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 69
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H18A,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: H18A
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: H14
chem comp atom.charge: 0
chem comp atom.model cartn x: 14.059
chem comp atom.model cartn y: -15.809
chem comp atom.model cartn z: -18.515
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H18A
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.166
chem comp atom.pdbx model cartn y ideal: 7.695
chem comp atom.pdbx model cartn z ideal: 0.133
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 70
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H18B,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: H18B
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: H15
chem comp atom.charge: 0
chem comp atom.model cartn x: 12.532
chem comp atom.model cartn y: -16.436
chem comp atom.model cartn z: -19.222
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H18B
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.331
chem comp atom.pdbx model cartn y ideal: 8.619
chem comp atom.pdbx model cartn z ideal: -0.142
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 71
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H21,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: H21
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: H16
chem comp atom.charge: 0
chem comp atom.model cartn x: 13.215
chem comp atom.model cartn y: -18.686
chem comp atom.model cartn z: -14.179
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H21
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.078
chem comp atom.pdbx model cartn y ideal: 3.071
chem comp atom.pdbx model cartn z ideal: 0.688
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 72
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H23,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: H23
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: H17
chem comp atom.charge: 0
chem comp atom.model cartn x: 10.531
chem comp atom.model cartn y: -16.152
chem comp atom.model cartn z: -13.967
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H23
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.789
chem comp atom.pdbx model cartn y ideal: 5.328
chem comp atom.pdbx model cartn z ideal: 1.000
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 73
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H24,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: H24
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: H18
chem comp atom.charge: 0
chem comp atom.model cartn x: 9.430
chem comp atom.model cartn y: -15.575
chem comp atom.model cartn z: -11.838
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H24
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.154
chem comp atom.pdbx model cartn y ideal: 4.702
chem comp atom.pdbx model cartn z ideal: 1.088
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 74
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H29,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: H29
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: H19
chem comp atom.charge: 0
chem comp atom.model cartn x: 9.504
chem comp atom.model cartn y: -16.889
chem comp atom.model cartn z: -6.630
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H29
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -9.314
chem comp atom.pdbx model cartn y ideal: -0.010
chem comp atom.pdbx model cartn z ideal: 0.352
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 75
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H31,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: H31
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: H20
chem comp atom.charge: 0
chem comp atom.model cartn x: 12.476
chem comp atom.model cartn y: -17.953
chem comp atom.model cartn z: -4.521
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H31
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -8.107
chem comp atom.pdbx model cartn y ideal: -3.499
chem comp atom.pdbx model cartn z ideal: -0.534
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 76
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H33C,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: H33C
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: H21
chem comp atom.charge: 0
chem comp atom.model cartn x: 11.903
chem comp atom.model cartn y: -16.816
chem comp atom.model cartn z: -0.821
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H33C
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -10.058
chem comp atom.pdbx model cartn y ideal: -6.087
chem comp atom.pdbx model cartn z ideal: 0.142
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 77
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H33B,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: H33B
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: H22
chem comp atom.charge: 0
chem comp atom.model cartn x: 12.499
chem comp atom.model cartn y: -18.317
chem comp atom.model cartn z: -1.607
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H33B
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -11.088
chem comp atom.pdbx model cartn y ideal: -5.801
chem comp atom.pdbx model cartn z ideal: -1.281
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 78
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H33A,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: H33A
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: H23
chem comp atom.charge: 0
chem comp atom.model cartn x: 13.280
chem comp atom.model cartn y: -16.740
chem comp atom.model cartn z: -1.972
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H33A
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -9.317
chem comp atom.pdbx model cartn y ideal: -5.713
chem comp atom.pdbx model cartn z ideal: -1.433
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 79
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H37B,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: H37B
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: H24
chem comp atom.charge: 0
chem comp atom.model cartn x: 6.568
chem comp atom.model cartn y: -15.211
chem comp atom.model cartn z: -0.686
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H37B
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -15.287
chem comp atom.pdbx model cartn y ideal: -4.000
chem comp atom.pdbx model cartn z ideal: -0.867
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 80
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H37A,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: H37A
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: H25
chem comp atom.charge: 0
chem comp atom.model cartn x: 8.089
chem comp atom.model cartn y: -15.150
chem comp atom.model cartn z: 0.267
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H37A
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -15.120
chem comp atom.pdbx model cartn y ideal: -4.380
chem comp atom.pdbx model cartn z ideal: 0.864
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 81
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H38C,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: H38C
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: H26
chem comp atom.charge: 0
chem comp atom.model cartn x: 7.066
chem comp atom.model cartn y: -12.947
chem comp atom.model cartn z: 0.068
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H38C
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -15.861
chem comp atom.pdbx model cartn y ideal: -2.085
chem comp atom.pdbx model cartn z ideal: 1.440
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 82
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H38A,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: H38A
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: H27
chem comp atom.charge: 0
chem comp atom.model cartn x: 8.654
chem comp atom.model cartn y: -13.021
chem comp atom.model cartn z: -0.768
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H38A
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -16.028
chem comp atom.pdbx model cartn y ideal: -1.705
chem comp atom.pdbx model cartn z ideal: -0.291
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 83
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H38B,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: H38B
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: H28
chem comp atom.charge: 0
chem comp atom.model cartn x: 7.133
chem comp atom.model cartn y: -13.081
chem comp atom.model cartn z: -1.722
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H38B
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -17.086
chem comp atom.pdbx model cartn y ideal: -2.925
chem comp atom.pdbx model cartn z ideal: 0.458
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 84
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H42,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: H42
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: H29
chem comp atom.charge: 0
chem comp atom.model cartn x: 12.634
chem comp atom.model cartn y: -19.144
chem comp atom.model cartn z: -9.162
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H42
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.807
chem comp atom.pdbx model cartn y ideal: -0.463
chem comp atom.pdbx model cartn z ideal: -0.178
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 85
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H44,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: H44
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: H30
chem comp atom.charge: 0
chem comp atom.model cartn x: 13.042
chem comp atom.model cartn y: -18.985
chem comp atom.model cartn z: -11.949
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H44
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.724
chem comp atom.pdbx model cartn y ideal: 1.314
chem comp atom.pdbx model cartn z ideal: 0.009
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 86
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H46,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: H46
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: H31
chem comp atom.charge: 0
chem comp atom.model cartn x: 13.597
chem comp atom.model cartn y: -20.206
chem comp atom.model cartn z: -15.718
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H46
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.988
chem comp atom.pdbx model cartn y ideal: 3.339
chem comp atom.pdbx model cartn z ideal: 0.009
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 87
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H48,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: H48
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: H32
chem comp atom.charge: 0
chem comp atom.model cartn x: 12.206
chem comp atom.model cartn y: -25.582
chem comp atom.model cartn z: -19.203
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H48
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 8.800
chem comp atom.pdbx model cartn y ideal: 0.384
chem comp atom.pdbx model cartn z ideal: -0.600
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 88
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H51,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: H51
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: H33
chem comp atom.charge: 0
chem comp atom.model cartn x: 9.657
chem comp atom.model cartn y: -28.580
chem comp atom.model cartn z: -19.984
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H51
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 13.084
chem comp atom.pdbx model cartn y ideal: 0.043
chem comp atom.pdbx model cartn z ideal: -0.576
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 89
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H52,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: H52
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: H34
chem comp atom.charge: 0
chem comp atom.model cartn x: 11.803
chem comp atom.model cartn y: -30.293
chem comp atom.model cartn z: -19.481
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H52
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 11.982
chem comp atom.pdbx model cartn y ideal: -1.551
chem comp atom.pdbx model cartn z ideal: 1.659
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 90
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H54A,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: H54A
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: H35
chem comp atom.charge: 0
chem comp atom.model cartn x: 10.523
chem comp atom.model cartn y: -31.474
chem comp atom.model cartn z: -15.886
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H54A
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 13.686
chem comp atom.pdbx model cartn y ideal: -4.739
chem comp atom.pdbx model cartn z ideal: 0.503
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 91
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H54B,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: H54B
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: H36
chem comp atom.charge: 0
chem comp atom.model cartn x: 9.275
chem comp atom.model cartn y: -30.307
chem comp atom.model cartn z: -16.441
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H54B
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 14.339
chem comp atom.pdbx model cartn y ideal: -3.570
chem comp atom.pdbx model cartn z ideal: -0.684
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 92
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H55A,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: H55A
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: H37
chem comp atom.charge: 0
chem comp atom.model cartn x: 10.304
chem comp atom.model cartn y: -32.823
chem comp atom.model cartn z: -17.816
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H55A
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 14.311
chem comp atom.pdbx model cartn y ideal: -3.360
chem comp atom.pdbx model cartn z ideal: 2.375
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 93
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H55B,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: H55B
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: H38
chem comp atom.charge: 0
chem comp atom.model cartn x: 8.618
chem comp atom.model cartn y: -32.220
chem comp atom.model cartn z: -17.670
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H55B
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 15.673
chem comp atom.pdbx model cartn y ideal: -3.056
chem comp atom.pdbx model cartn z ideal: 1.244
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 94
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H56A,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: H56A
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: H39
chem comp atom.charge: 0
chem comp atom.model cartn x: 10.154
chem comp atom.model cartn y: -31.838
chem comp atom.model cartn z: -19.928
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H56A
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 14.697
chem comp atom.pdbx model cartn y ideal: -1.002
chem comp atom.pdbx model cartn z ideal: 0.446
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 95
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H56B,A1H1R
type: chem comp atom
of datablock: A1H1R
reference to chem comp: chem comp
chem comp atom.atom id: H56B
chem comp atom.comp id: A1H1R
chem comp atom.alt atom id: H40
chem comp atom.charge: 0
chem comp atom.model cartn x: 8.873
chem comp atom.model cartn y: -30.690
chem comp atom.model cartn z: -19.411
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx backbone atom flag: N
chem comp atom.pdbx c terminal atom flag: N
chem comp atom.pdbx component atom id: H56B
chem comp atom.pdbx component comp id: A1H1R
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 14.203
chem comp atom.pdbx model cartn y ideal: -0.961
chem comp atom.pdbx model cartn z ideal: 2.171
chem comp atom.pdbx n terminal atom flag: N
chem comp atom.pdbx ordinal: 96
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

O1,C2,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: O1
chem comp bond.atom id 2: C2
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 1
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C2,C3,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: C3
chem comp bond.comp id: A1H1R
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

C3,C4,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: C4
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 3
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C4,C5,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: C5
chem comp bond.comp id: A1H1R
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

C5,O6,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: O6
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 5
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

O6,C7,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: O6
chem comp bond.atom id 2: C7
chem comp bond.comp id: A1H1R
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

C5,C8,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: C8
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 7
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C8,O9,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: O9
chem comp bond.comp id: A1H1R
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

O9,C10,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: O9
chem comp bond.atom id 2: C10
chem comp bond.comp id: A1H1R
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

C10,C11,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: C11
chem comp bond.comp id: A1H1R
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

C11,C12,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: C12
chem comp bond.comp id: A1H1R
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

C12,C13,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: C13
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 12
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C13,N14,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: N14
chem comp bond.comp id: A1H1R
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

N14,C15,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: N14
chem comp bond.atom id 2: C15
chem comp bond.comp id: A1H1R
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

C15,C16,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: C16
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 15
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C16,N17,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: N17
chem comp bond.comp id: A1H1R
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

N17,C18,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: N17
chem comp bond.atom id 2: C18
chem comp bond.comp id: A1H1R
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

N17,C19,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: N17
chem comp bond.atom id 2: C19
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 18
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C19,C20,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: C20
chem comp bond.comp id: A1H1R
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

C20,N21,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: N21
chem comp bond.comp id: A1H1R
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

N21,C22,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: N21
chem comp bond.atom id 2: C22
chem comp bond.comp id: A1H1R
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

C22,C23,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C22
chem comp bond.atom id 2: C23
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 22
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C23,C24,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C23
chem comp bond.atom id 2: C24
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 23
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C24,C25,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C24
chem comp bond.atom id 2: C25
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 24
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C25,S26,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C25
chem comp bond.atom id 2: S26
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 25
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

S26,C27,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: S26
chem comp bond.atom id 2: C27
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 26
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C27,C28,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C27
chem comp bond.atom id 2: C28
chem comp bond.comp id: A1H1R
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

C28,N29,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C28
chem comp bond.atom id 2: N29
chem comp bond.comp id: A1H1R
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

N29,C30,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: N29
chem comp bond.atom id 2: C30
chem comp bond.comp id: A1H1R
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

C30,C31,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C30
chem comp bond.atom id 2: C31
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 30
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C31,N32,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C31
chem comp bond.atom id 2: N32
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 31
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N32,C33,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: N32
chem comp bond.atom id 2: C33
chem comp bond.comp id: A1H1R
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

N32,C34,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: N32
chem comp bond.atom id 2: C34
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 33
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C34,C35,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C34
chem comp bond.atom id 2: C35
chem comp bond.comp id: A1H1R
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

C35,O36,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C35
chem comp bond.atom id 2: O36
chem comp bond.comp id: A1H1R
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

O36,C37,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: O36
chem comp bond.atom id 2: C37
chem comp bond.comp id: A1H1R
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

C37,C38,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C37
chem comp bond.atom id 2: C38
chem comp bond.comp id: A1H1R
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

C35,O39,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C35
chem comp bond.atom id 2: O39
chem comp bond.comp id: A1H1R
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: doub

C34,N40,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C34
chem comp bond.atom id 2: N40
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 39
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C28,O41,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C28
chem comp bond.atom id 2: O41
chem comp bond.comp id: A1H1R
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: doub

C27,C42,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C27
chem comp bond.atom id 2: C42
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 41
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C25,C43,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C25
chem comp bond.atom id 2: C43
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 42
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C43,C44,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C43
chem comp bond.atom id 2: C44
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 43
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C20,O45,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: O45
chem comp bond.comp id: A1H1R
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: doub

C19,C46,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: C46
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 45
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C13,O47,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: O47
chem comp bond.comp id: A1H1R
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: doub

C8,C48,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: C48
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 47
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C48,C49,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C48
chem comp bond.atom id 2: C49
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 48
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C49,N50,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C49
chem comp bond.atom id 2: N50
chem comp bond.comp id: A1H1R
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

N50,C51,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: N50
chem comp bond.atom id 2: C51
chem comp bond.comp id: A1H1R
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: doub

C51,C52,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C51
chem comp bond.atom id 2: C52
chem comp bond.comp id: A1H1R
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

C52,N53,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C52
chem comp bond.atom id 2: N53
chem comp bond.comp id: A1H1R
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

N53,C54,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: N53
chem comp bond.atom id 2: C54
chem comp bond.comp id: A1H1R
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

C54,C55,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C54
chem comp bond.atom id 2: C55
chem comp bond.comp id: A1H1R
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

C55,C56,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C55
chem comp bond.atom id 2: C56
chem comp bond.comp id: A1H1R
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

N53,C2,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: N53
chem comp bond.atom id 2: C2
chem comp bond.comp id: A1H1R
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

C49,C3,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C49
chem comp bond.atom id 2: C3
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 57
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C46,C15,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C46
chem comp bond.atom id 2: C15
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 58
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C44,C22,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C44
chem comp bond.atom id 2: C22
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 59
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N40,C30,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: N40
chem comp bond.atom id 2: C30
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 60
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C43,C42,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C43
chem comp bond.atom id 2: C42
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 61
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C56,C52,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C56
chem comp bond.atom id 2: C52
chem comp bond.comp id: A1H1R
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

C10,H10A,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: H10A
chem comp bond.comp id: A1H1R
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

C10,H10B,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: H10B
chem comp bond.comp id: A1H1R
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

C12,H12B,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: H12B
chem comp bond.comp id: A1H1R
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

C12,H12A,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: H12A
chem comp bond.comp id: A1H1R
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

C16,H16,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: H16
chem comp bond.comp id: A1H1R
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

N14,H14,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: N14
chem comp bond.atom id 2: H14
chem comp bond.comp id: A1H1R
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

C4,H4,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: H4
chem comp bond.comp id: A1H1R
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

C7,H7B,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: H7B
chem comp bond.comp id: A1H1R
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

C7,H7C,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: H7C
chem comp bond.comp id: A1H1R
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

C7,H7A,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: H7A
chem comp bond.comp id: A1H1R
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

C11,H11A,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: H11A
chem comp bond.comp id: A1H1R
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

C11,H11B,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: H11B
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 74
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C18,H18C,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: H18C
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 75
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C18,H18A,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: H18A
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 76
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C18,H18B,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: H18B
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 77
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N21,H21,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: N21
chem comp bond.atom id 2: H21
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 78
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C23,H23,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C23
chem comp bond.atom id 2: H23
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 79
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C24,H24,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C24
chem comp bond.atom id 2: H24
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 80
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N29,H29,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: N29
chem comp bond.atom id 2: H29
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 81
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C31,H31,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C31
chem comp bond.atom id 2: H31
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 82
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C33,H33C,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C33
chem comp bond.atom id 2: H33C
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 83
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C33,H33B,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C33
chem comp bond.atom id 2: H33B
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 84
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C33,H33A,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C33
chem comp bond.atom id 2: H33A
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 85
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C37,H37B,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C37
chem comp bond.atom id 2: H37B
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 86
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C37,H37A,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C37
chem comp bond.atom id 2: H37A
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 87
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C38,H38C,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C38
chem comp bond.atom id 2: H38C
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 88
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C38,H38A,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C38
chem comp bond.atom id 2: H38A
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 89
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C38,H38B,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C38
chem comp bond.atom id 2: H38B
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 90
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C42,H42,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C42
chem comp bond.atom id 2: H42
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 91
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C44,H44,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C44
chem comp bond.atom id 2: H44
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 92
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C46,H46,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C46
chem comp bond.atom id 2: H46
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 93
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C48,H48,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C48
chem comp bond.atom id 2: H48
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 94
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C51,H51,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C51
chem comp bond.atom id 2: H51
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 95
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C52,H52,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C52
chem comp bond.atom id 2: H52
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 96
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C54,H54A,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C54
chem comp bond.atom id 2: H54A
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 97
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C54,H54B,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C54
chem comp bond.atom id 2: H54B
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 98
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C55,H55A,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C55
chem comp bond.atom id 2: H55A
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 99
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C55,H55B,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C55
chem comp bond.atom id 2: H55B
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 100
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C56,H56A,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C56
chem comp bond.atom id 2: H56A
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 101
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C56,H56B,A1H1R
type: chem comp bond
of datablock: A1H1R
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A1H1R/chem_comp_atom/,
chem comp bond.atom id 1: C56
chem comp bond.atom id 2: H56B
chem comp bond.comp id: A1H1R
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 102
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

Create component,A1H1R,2024-01-03
type: pdbx chem comp audit
of datablock: A1H1R
reference to chem comp: chem comp
pdbx chem comp audit.action type: Create component
pdbx chem comp audit.comp id: A1H1R
pdbx chem comp audit.date: 2024-01-03
pdbx chem comp audit.processing site: PDBE

Initial release,A1H1R,2025-01-15
type: pdbx chem comp audit
of datablock: A1H1R
reference to chem comp: chem comp
pdbx chem comp audit.action type: Initial release
pdbx chem comp audit.comp id: A1H1R
pdbx chem comp audit.date: 2025-01-15
pdbx chem comp audit.processing site: RCSB

A1H1R,InChI,1.06,InChI
type: pdbx chem comp descriptor
of datablock: A1H1R
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: A1H1R
pdbx chem comp descriptor.program: InChI
pdbx chem comp descriptor.program version: 1.06
pdbx chem comp descriptor.type: InChI
pdbx chem comp descriptor.descriptor: InChI=1S/C39H40N8O8S/c1-5-54-39(52)35-43-33(21-46(35)3)44-37(50)32-15-22-14-23(10-11-31(22)56-32)42-36(49)28-16-24(20-45(28)2)41-34(48)9-7-13-55-30-18-27-26(17-29(30)53-4)38(51)47-12-6-8-25(47)19-40-27/h10-11,14-21,25H,5-9,12-13H2,1-4H3,(H,41,48)(H,42,49)(H,44,50)/t25-/m1/s1

A1H1R,InChI,1.06,InChIKey
type: pdbx chem comp descriptor
of datablock: A1H1R
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: A1H1R
pdbx chem comp descriptor.program: InChI
pdbx chem comp descriptor.program version: 1.06
pdbx chem comp descriptor.type: InChIKey
pdbx chem comp descriptor.descriptor: FOOOXHGRWPRUKF-RUZDIDTESA-N

A1H1R,CACTVS,3.385,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: A1H1R
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: A1H1R
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: CCOC(=O)c1nc(NC(=O)c2sc3ccc(NC(=O)c4cc(NC(=O)CCCOc5cc6N=C[C@@H]7CCCN7C(=O)c6cc5OC)cn4C)cc3c2)cn1C

A1H1R,CACTVS,3.385,SMILES
type: pdbx chem comp descriptor
of datablock: A1H1R
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: A1H1R
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: CCOC(=O)c1nc(NC(=O)c2sc3ccc(NC(=O)c4cc(NC(=O)CCCOc5cc6N=C[CH]7CCCN7C(=O)c6cc5OC)cn4C)cc3c2)cn1C

A1H1R,OpenEye OEToolkits,2.0.7,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: A1H1R
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: A1H1R
pdbx chem comp descriptor.program: OpenEye OEToolkits
pdbx chem comp descriptor.program version: 2.0.7
pdbx chem comp descriptor.type: SMILES_CANONICAL
pdbx chem comp descriptor.descriptor: CCOC(=O)c1nc(cn1C)NC(=O)c2cc3cc(ccc3s2)NC(=O)c4cc(cn4C)NC(=O)CCCOc5cc6c(cc5OC)C(=O)N7CCC[C@H]7C=N6

A1H1R,OpenEye OEToolkits,2.0.7,SMILES
type: pdbx chem comp descriptor
of datablock: A1H1R
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: A1H1R
pdbx chem comp descriptor.program: OpenEye OEToolkits
pdbx chem comp descriptor.program version: 2.0.7
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: CCOC(=O)c1nc(cn1C)NC(=O)c2cc3cc(ccc3s2)NC(=O)c4cc(cn4C)NC(=O)CCCOc5cc6c(cc5OC)C(=O)N7CCCC7C=N6

A1H1R,OpenEye OEToolkits,2.0.7,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: A1H1R
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: A1H1R
pdbx chem comp identifier.program: OpenEye OEToolkits
pdbx chem comp identifier.program version: 2.0.7
pdbx chem comp identifier.type: SYSTEMATIC NAME
pdbx chem comp identifier.identifier: ethyl 4-[[5-[[4-[4-[[(6~{a}~{S})-2-methoxy-11-oxidanylidene-6~{a},7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-benzothiophen-2-yl]carbonylamino]-1-methyl-imidazole-2-carboxylate