N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
type: datablock
datablock name: LJP
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

LJP
type: chem comp
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
chem comp.id: LJP
chem comp.formula: C16 H20 N4 O3 S
chem comp.formula weight: 348.420
chem comp.name: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
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: 2019-02-22
chem comp.pdbx model coordinates db code: 6O1V
chem comp.pdbx model coordinates missing flag: N
chem comp.pdbx modified date: 2019-06-21
chem comp.pdbx processing site: RCSB
chem comp.pdbx release status: REL
chem comp.pdbx type: HETAIN
chem comp.three letter code: LJP
chem comp.type: non-polymer

C1,LJP
type: chem comp atom
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C1
chem comp atom.comp id: LJP
chem comp atom.alt atom id: C1
chem comp atom.charge: 0
chem comp atom.model cartn x: 166.814
chem comp atom.model cartn y: 143.483
chem comp atom.model cartn z: 161.444
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C1
chem comp atom.pdbx component comp id: LJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.447
chem comp atom.pdbx model cartn y ideal: -1.219
chem comp atom.pdbx model cartn z ideal: 0.139
chem comp atom.pdbx ordinal: 1
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

O1,LJP
type: chem comp atom
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: O1
chem comp atom.comp id: LJP
chem comp atom.alt atom id: O1
chem comp atom.charge: 0
chem comp atom.model cartn x: 167.306
chem comp atom.model cartn y: 142.749
chem comp atom.model cartn z: 163.723
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O1
chem comp atom.pdbx component comp id: LJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.156
chem comp atom.pdbx model cartn y ideal: 0.783
chem comp atom.pdbx model cartn z ideal: -0.165
chem comp atom.pdbx ordinal: 2
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

C2,LJP
type: chem comp atom
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C2
chem comp atom.comp id: LJP
chem comp atom.alt atom id: C2
chem comp atom.charge: 0
chem comp atom.model cartn x: 166.881
chem comp atom.model cartn y: 142.279
chem comp atom.model cartn z: 162.420
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C2
chem comp atom.pdbx component comp id: LJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.092
chem comp atom.pdbx model cartn y ideal: -0.523
chem comp atom.pdbx model cartn z ideal: 0.368
chem comp atom.pdbx ordinal: 3
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

N2,LJP
type: chem comp atom
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: N2
chem comp atom.comp id: LJP
chem comp atom.alt atom id: N1
chem comp atom.charge: 0
chem comp atom.model cartn x: 164.175
chem comp atom.model cartn y: 137.599
chem comp atom.model cartn z: 165.014
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: N2
chem comp atom.pdbx component comp id: LJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.943
chem comp atom.pdbx model cartn y ideal: -0.368
chem comp atom.pdbx model cartn z ideal: -0.042
chem comp atom.pdbx ordinal: 4
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

C3,LJP
type: chem comp atom
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C3
chem comp atom.comp id: LJP
chem comp atom.alt atom id: C3
chem comp atom.charge: 0
chem comp atom.model cartn x: 167.925
chem comp atom.model cartn y: 141.258
chem comp atom.model cartn z: 161.913
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C3
chem comp atom.pdbx component comp id: LJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.822
chem comp atom.pdbx model cartn y ideal: -0.497
chem comp atom.pdbx model cartn z ideal: 1.875
chem comp atom.pdbx ordinal: 5
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

O3,LJP
type: chem comp atom
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: O3
chem comp atom.comp id: LJP
chem comp atom.alt atom id: O2
chem comp atom.charge: 0
chem comp atom.model cartn x: 165.034
chem comp atom.model cartn y: 137.375
chem comp atom.model cartn z: 167.139
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O3
chem comp atom.pdbx component comp id: LJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.406
chem comp atom.pdbx model cartn y ideal: 1.803
chem comp atom.pdbx model cartn z ideal: 0.049
chem comp atom.pdbx ordinal: 6
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

C4,LJP
type: chem comp atom
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C4
chem comp atom.comp id: LJP
chem comp atom.alt atom id: C4
chem comp atom.charge: 0
chem comp atom.model cartn x: 165.442
chem comp atom.model cartn y: 141.665
chem comp atom.model cartn z: 162.520
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C4
chem comp atom.pdbx component comp id: LJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.008
chem comp atom.pdbx model cartn y ideal: -1.357
chem comp atom.pdbx model cartn z ideal: -0.327
chem comp atom.pdbx ordinal: 7
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C5,LJP
type: chem comp atom
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C5
chem comp atom.comp id: LJP
chem comp atom.alt atom id: C5
chem comp atom.charge: 0
chem comp atom.model cartn x: 165.337
chem comp atom.model cartn y: 140.672
chem comp atom.model cartn z: 163.525
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C5
chem comp atom.pdbx component comp id: LJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.725
chem comp atom.pdbx model cartn y ideal: -0.548
chem comp atom.pdbx model cartn z ideal: -0.240
chem comp atom.pdbx ordinal: 8
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C6,LJP
type: chem comp atom
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C6
chem comp atom.comp id: LJP
chem comp atom.alt atom id: C6
chem comp atom.charge: 0
chem comp atom.model cartn x: 166.102
chem comp atom.model cartn y: 140.856
chem comp atom.model cartn z: 164.650
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C6
chem comp atom.pdbx component comp id: LJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.748
chem comp atom.pdbx model cartn y ideal: 0.791
chem comp atom.pdbx model cartn z ideal: -0.206
chem comp atom.pdbx ordinal: 9
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C7,LJP
type: chem comp atom
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C7
chem comp atom.comp id: LJP
chem comp atom.alt atom id: C7
chem comp atom.charge: 0
chem comp atom.model cartn x: 166.999
chem comp atom.model cartn y: 141.956
chem comp atom.model cartn z: 164.896
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C7
chem comp atom.pdbx component comp id: LJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.017
chem comp atom.pdbx model cartn y ideal: 1.614
chem comp atom.pdbx model cartn z ideal: -0.260
chem comp atom.pdbx ordinal: 10
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C8,LJP
type: chem comp atom
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C8
chem comp atom.comp id: LJP
chem comp atom.alt atom id: C8
chem comp atom.charge: 0
chem comp atom.model cartn x: 168.342
chem comp atom.model cartn y: 141.388
chem comp atom.model cartn z: 165.356
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C8
chem comp atom.pdbx component comp id: LJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.005
chem comp atom.pdbx model cartn y ideal: 2.649
chem comp atom.pdbx model cartn z ideal: 0.873
chem comp atom.pdbx ordinal: 11
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C16,LJP
type: chem comp atom
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C16
chem comp atom.comp id: LJP
chem comp atom.alt atom id: C9
chem comp atom.charge: 0
chem comp atom.model cartn x: 163.681
chem comp atom.model cartn y: 134.988
chem comp atom.model cartn z: 167.374
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C16
chem comp atom.pdbx component comp id: LJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.296
chem comp atom.pdbx model cartn y ideal: 1.356
chem comp atom.pdbx model cartn z ideal: 0.189
chem comp atom.pdbx ordinal: 12
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C15,LJP
type: chem comp atom
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C15
chem comp atom.comp id: LJP
chem comp atom.alt atom id: C10
chem comp atom.charge: 0
chem comp atom.model cartn x: 162.842
chem comp atom.model cartn y: 133.996
chem comp atom.model cartn z: 167.082
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C15
chem comp atom.pdbx component comp id: LJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.450
chem comp atom.pdbx model cartn y ideal: 0.650
chem comp atom.pdbx model cartn z ideal: 0.229
chem comp atom.pdbx ordinal: 13
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

N4,LJP
type: chem comp atom
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: N4
chem comp atom.comp id: LJP
chem comp atom.alt atom id: N2
chem comp atom.charge: 0
chem comp atom.model cartn x: 162.349
chem comp atom.model cartn y: 134.218
chem comp atom.model cartn z: 165.861
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: N4
chem comp atom.pdbx component comp id: LJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.121
chem comp atom.pdbx model cartn y ideal: -0.658
chem comp atom.pdbx model cartn z ideal: 0.172
chem comp atom.pdbx ordinal: 14
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

N3,LJP
type: chem comp atom
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: N3
chem comp atom.comp id: LJP
chem comp atom.alt atom id: N3
chem comp atom.charge: 0
chem comp atom.model cartn x: 162.849
chem comp atom.model cartn y: 135.295
chem comp atom.model cartn z: 165.403
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: N3
chem comp atom.pdbx component comp id: LJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.846
chem comp atom.pdbx model cartn y ideal: -0.793
chem comp atom.pdbx model cartn z ideal: 0.100
chem comp atom.pdbx ordinal: 15
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

C14,LJP
type: chem comp atom
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C14
chem comp atom.comp id: LJP
chem comp atom.alt atom id: C11
chem comp atom.charge: 0
chem comp atom.model cartn x: 163.690
chem comp atom.model cartn y: 135.792
chem comp atom.model cartn z: 166.312
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C14
chem comp atom.pdbx component comp id: LJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.265
chem comp atom.pdbx model cartn y ideal: 0.391
chem comp atom.pdbx model cartn z ideal: 0.105
chem comp atom.pdbx ordinal: 16
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C13,LJP
type: chem comp atom
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C13
chem comp atom.comp id: LJP
chem comp atom.alt atom id: C12
chem comp atom.charge: 0
chem comp atom.model cartn x: 164.391
chem comp atom.model cartn y: 136.938
chem comp atom.model cartn z: 166.185
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C13
chem comp atom.pdbx component comp id: LJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.814
chem comp atom.pdbx model cartn y ideal: 0.658
chem comp atom.pdbx model cartn z ideal: 0.036
chem comp atom.pdbx ordinal: 17
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C10,LJP
type: chem comp atom
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C10
chem comp atom.comp id: LJP
chem comp atom.alt atom id: C13
chem comp atom.charge: 0
chem comp atom.model cartn x: 164.753
chem comp atom.model cartn y: 138.783
chem comp atom.model cartn z: 164.689
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C10
chem comp atom.pdbx component comp id: LJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.582
chem comp atom.pdbx model cartn y ideal: -0.117
chem comp atom.pdbx model cartn z ideal: -0.106
chem comp atom.pdbx ordinal: 18
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

S1,LJP
type: chem comp atom
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: S1
chem comp atom.comp id: LJP
chem comp atom.alt atom id: S1
chem comp atom.charge: 0
chem comp atom.model cartn x: 165.821
chem comp atom.model cartn y: 139.588
chem comp atom.model cartn z: 165.605
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: S1
chem comp atom.pdbx component comp id: LJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.119
chem comp atom.pdbx model cartn y ideal: 1.435
chem comp atom.pdbx model cartn z ideal: -0.096
chem comp atom.pdbx ordinal: 19
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: S

C9,LJP
type: chem comp atom
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C9
chem comp atom.comp id: LJP
chem comp atom.alt atom id: C14
chem comp atom.charge: 0
chem comp atom.model cartn x: 166.454
chem comp atom.model cartn y: 142.909
chem comp atom.model cartn z: 166.015
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C9
chem comp atom.pdbx component comp id: LJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.053
chem comp atom.pdbx model cartn y ideal: 2.372
chem comp atom.pdbx model cartn z ideal: -1.601
chem comp atom.pdbx ordinal: 20
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C11,LJP
type: chem comp atom
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C11
chem comp atom.comp id: LJP
chem comp atom.alt atom id: C15
chem comp atom.charge: 0
chem comp atom.model cartn x: 164.569
chem comp atom.model cartn y: 139.514
chem comp atom.model cartn z: 163.563
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C11
chem comp atom.pdbx component comp id: LJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.383
chem comp atom.pdbx model cartn y ideal: -1.085
chem comp atom.pdbx model cartn z ideal: -0.189
chem comp atom.pdbx ordinal: 21
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C12,LJP
type: chem comp atom
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: C12
chem comp atom.comp id: LJP
chem comp atom.alt atom id: C16
chem comp atom.charge: 0
chem comp atom.model cartn x: 163.701
chem comp atom.model cartn y: 139.018
chem comp atom.model cartn z: 162.616
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C12
chem comp atom.pdbx component comp id: LJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.075
chem comp atom.pdbx model cartn y ideal: -2.518
chem comp atom.pdbx model cartn z ideal: -0.223
chem comp atom.pdbx ordinal: 22
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

O2,LJP
type: chem comp atom
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: O2
chem comp atom.comp id: LJP
chem comp atom.alt atom id: O3
chem comp atom.charge: 0
chem comp atom.model cartn x: 163.333
chem comp atom.model cartn y: 137.842
chem comp atom.model cartn z: 162.713
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O2
chem comp atom.pdbx component comp id: LJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.002
chem comp atom.pdbx model cartn y ideal: -3.150
chem comp atom.pdbx model cartn z ideal: 0.814
chem comp atom.pdbx ordinal: 23
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

N1,LJP
type: chem comp atom
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: N1
chem comp atom.comp id: LJP
chem comp atom.alt atom id: N4
chem comp atom.charge: 0
chem comp atom.model cartn x: 163.174
chem comp atom.model cartn y: 139.792
chem comp atom.model cartn z: 161.646
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: N1
chem comp atom.pdbx component comp id: LJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.127
chem comp atom.pdbx model cartn y ideal: -3.135
chem comp atom.pdbx model cartn z ideal: -1.404
chem comp atom.pdbx ordinal: 24
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

H1,LJP
type: chem comp atom
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H1
chem comp atom.comp id: LJP
chem comp atom.alt atom id: H1
chem comp atom.charge: 0
chem comp atom.model cartn x: 166.492
chem comp atom.model cartn y: 143.134
chem comp atom.model cartn z: 160.452
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H1
chem comp atom.pdbx component comp id: LJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 6.234
chem comp atom.pdbx model cartn y ideal: -0.655
chem comp atom.pdbx model cartn z ideal: 0.639
chem comp atom.pdbx ordinal: 25
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H2,LJP
type: chem comp atom
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H2
chem comp atom.comp id: LJP
chem comp atom.alt atom id: H2
chem comp atom.charge: 0
chem comp atom.model cartn x: 166.094
chem comp atom.model cartn y: 144.223
chem comp atom.model cartn z: 161.824
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H2
chem comp atom.pdbx component comp id: LJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.409
chem comp atom.pdbx model cartn y ideal: -2.230
chem comp atom.pdbx model cartn z ideal: 0.546
chem comp atom.pdbx ordinal: 26
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H3,LJP
type: chem comp atom
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H3
chem comp atom.comp id: LJP
chem comp atom.alt atom id: H3
chem comp atom.charge: 0
chem comp atom.model cartn x: 167.809
chem comp atom.model cartn y: 143.946
chem comp atom.model cartn z: 161.364
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H3
chem comp atom.pdbx component comp id: LJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.655
chem comp atom.pdbx model cartn y ideal: -1.265
chem comp atom.pdbx model cartn z ideal: -0.930
chem comp atom.pdbx ordinal: 27
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H4,LJP
type: chem comp atom
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H4
chem comp atom.comp id: LJP
chem comp atom.alt atom id: H4
chem comp atom.charge: 0
chem comp atom.model cartn x: 167.971
chem comp atom.model cartn y: 140.405
chem comp atom.model cartn z: 162.606
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H4
chem comp atom.pdbx component comp id: LJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.617
chem comp atom.pdbx model cartn y ideal: 0.054
chem comp atom.pdbx model cartn z ideal: 2.377
chem comp atom.pdbx ordinal: 28
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H5,LJP
type: chem comp atom
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H5
chem comp atom.comp id: LJP
chem comp atom.alt atom id: H5
chem comp atom.charge: 0
chem comp atom.model cartn x: 167.635
chem comp atom.model cartn y: 140.903
chem comp atom.model cartn z: 160.913
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H5
chem comp atom.pdbx component comp id: LJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.866
chem comp atom.pdbx model cartn y ideal: -0.008
chem comp atom.pdbx model cartn z ideal: 2.064
chem comp atom.pdbx ordinal: 29
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H6,LJP
type: chem comp atom
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H6
chem comp atom.comp id: LJP
chem comp atom.alt atom id: H6
chem comp atom.charge: 0
chem comp atom.model cartn x: 168.912
chem comp atom.model cartn y: 141.740
chem comp atom.model cartn z: 161.858
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H6
chem comp atom.pdbx component comp id: LJP
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: -1.518
chem comp atom.pdbx model cartn z ideal: 2.256
chem comp atom.pdbx ordinal: 30
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H7,LJP
type: chem comp atom
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H7
chem comp atom.comp id: LJP
chem comp atom.alt atom id: H7
chem comp atom.charge: 0
chem comp atom.model cartn x: 164.731
chem comp atom.model cartn y: 142.472
chem comp atom.model cartn z: 162.748
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H7
chem comp atom.pdbx component comp id: LJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.278
chem comp atom.pdbx model cartn y ideal: -1.524
chem comp atom.pdbx model cartn z ideal: -1.369
chem comp atom.pdbx ordinal: 31
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H8,LJP
type: chem comp atom
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H8
chem comp atom.comp id: LJP
chem comp atom.alt atom id: H8
chem comp atom.charge: 0
chem comp atom.model cartn x: 165.185
chem comp atom.model cartn y: 141.213
chem comp atom.model cartn z: 161.551
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H8
chem comp atom.pdbx component comp id: LJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.893
chem comp atom.pdbx model cartn y ideal: -2.309
chem comp atom.pdbx model cartn z ideal: 0.189
chem comp atom.pdbx ordinal: 32
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H10,LJP
type: chem comp atom
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H10
chem comp atom.comp id: LJP
chem comp atom.alt atom id: H10
chem comp atom.charge: 0
chem comp atom.model cartn x: 168.191
chem comp atom.model cartn y: 140.768
chem comp atom.model cartn z: 166.252
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H10
chem comp atom.pdbx component comp id: LJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.900
chem comp atom.pdbx model cartn y ideal: 3.268
chem comp atom.pdbx model cartn z ideal: 0.810
chem comp atom.pdbx ordinal: 33
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H11,LJP
type: chem comp atom
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H11
chem comp atom.comp id: LJP
chem comp atom.alt atom id: H11
chem comp atom.charge: 0
chem comp atom.model cartn x: 168.774
chem comp atom.model cartn y: 140.773
chem comp atom.model cartn z: 164.553
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H11
chem comp atom.pdbx component comp id: LJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.120
chem comp atom.pdbx model cartn y ideal: 3.279
chem comp atom.pdbx model cartn z ideal: 0.781
chem comp atom.pdbx ordinal: 34
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H12,LJP
type: chem comp atom
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H12
chem comp atom.comp id: LJP
chem comp atom.alt atom id: H12
chem comp atom.charge: 0
chem comp atom.model cartn x: 169.027
chem comp atom.model cartn y: 142.215
chem comp atom.model cartn z: 165.594
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H12
chem comp atom.pdbx component comp id: LJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.987
chem comp atom.pdbx model cartn y ideal: 2.135
chem comp atom.pdbx model cartn z ideal: 1.834
chem comp atom.pdbx ordinal: 35
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H13,LJP
type: chem comp atom
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H13
chem comp atom.comp id: LJP
chem comp atom.alt atom id: H13
chem comp atom.charge: 0
chem comp atom.model cartn x: 164.242
chem comp atom.model cartn y: 135.115
chem comp atom.model cartn z: 168.288
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H13
chem comp atom.pdbx component comp id: LJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.186
chem comp atom.pdbx model cartn y ideal: 2.430
chem comp atom.pdbx model cartn z ideal: 0.211
chem comp atom.pdbx ordinal: 36
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H14,LJP
type: chem comp atom
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H14
chem comp atom.comp id: LJP
chem comp atom.alt atom id: H14
chem comp atom.charge: 0
chem comp atom.model cartn x: 162.602
chem comp atom.model cartn y: 133.159
chem comp atom.model cartn z: 167.721
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H14
chem comp atom.pdbx component comp id: LJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -7.448
chem comp atom.pdbx model cartn y ideal: 1.058
chem comp atom.pdbx model cartn z ideal: 0.295
chem comp atom.pdbx ordinal: 37
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H15,LJP
type: chem comp atom
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H15
chem comp atom.comp id: LJP
chem comp atom.alt atom id: H15
chem comp atom.charge: 0
chem comp atom.model cartn x: 161.693
chem comp atom.model cartn y: 133.633
chem comp atom.model cartn z: 165.384
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H15
chem comp atom.pdbx component comp id: LJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.757
chem comp atom.pdbx model cartn y ideal: -1.391
chem comp atom.pdbx model cartn z ideal: 0.184
chem comp atom.pdbx ordinal: 38
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H16,LJP
type: chem comp atom
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H16
chem comp atom.comp id: LJP
chem comp atom.alt atom id: H16
chem comp atom.charge: 0
chem comp atom.model cartn x: 166.216
chem comp atom.model cartn y: 142.321
chem comp atom.model cartn z: 166.914
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H16
chem comp atom.pdbx component comp id: LJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.054
chem comp atom.pdbx model cartn y ideal: 1.657
chem comp atom.pdbx model cartn z ideal: -2.423
chem comp atom.pdbx ordinal: 39
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H17,LJP
type: chem comp atom
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H17
chem comp atom.comp id: LJP
chem comp atom.alt atom id: H17
chem comp atom.charge: 0
chem comp atom.model cartn x: 167.219
chem comp atom.model cartn y: 143.661
chem comp atom.model cartn z: 166.261
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H17
chem comp atom.pdbx component comp id: LJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.176
chem comp atom.pdbx model cartn y ideal: 3.015
chem comp atom.pdbx model cartn z ideal: -1.679
chem comp atom.pdbx ordinal: 40
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H18,LJP
type: chem comp atom
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H18
chem comp atom.comp id: LJP
chem comp atom.alt atom id: H18
chem comp atom.charge: 0
chem comp atom.model cartn x: 165.545
chem comp atom.model cartn y: 143.414
chem comp atom.model cartn z: 165.656
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H18
chem comp atom.pdbx component comp id: LJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.956
chem comp atom.pdbx model cartn y ideal: 2.982
chem comp atom.pdbx model cartn z ideal: -1.649
chem comp atom.pdbx ordinal: 41
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H19,LJP
type: chem comp atom
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H19
chem comp atom.comp id: LJP
chem comp atom.alt atom id: H19
chem comp atom.charge: 0
chem comp atom.model cartn x: 162.495
chem comp atom.model cartn y: 139.413
chem comp atom.model cartn z: 161.017
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H19
chem comp atom.pdbx component comp id: LJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.069
chem comp atom.pdbx model cartn y ideal: -2.632
chem comp atom.pdbx model cartn z ideal: -2.231
chem comp atom.pdbx ordinal: 42
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H20,LJP
type: chem comp atom
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H20
chem comp atom.comp id: LJP
chem comp atom.alt atom id: H20
chem comp atom.charge: 0
chem comp atom.model cartn x: 163.462
chem comp atom.model cartn y: 140.745
chem comp atom.model cartn z: 161.555
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H20
chem comp atom.pdbx component comp id: LJP
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: -4.083
chem comp atom.pdbx model cartn z ideal: -1.427
chem comp atom.pdbx ordinal: 43
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H21,LJP
type: chem comp atom
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
chem comp atom.atom id: H21
chem comp atom.comp id: LJP
chem comp atom.alt atom id: H21
chem comp atom.charge: 0
chem comp atom.model cartn x: 163.551
chem comp atom.model cartn y: 137.185
chem comp atom.model cartn z: 164.351
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H21
chem comp atom.pdbx component comp id: LJP
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.269
chem comp atom.pdbx model cartn y ideal: -1.281
chem comp atom.pdbx model cartn z ideal: -0.052
chem comp atom.pdbx ordinal: 44
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

C1,C2,LJP
type: chem comp bond
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/LJP/chem_comp_atom/,
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: C2
chem comp bond.comp id: LJP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 1
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

O1,C2,LJP
type: chem comp bond
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/LJP/chem_comp_atom/,
chem comp bond.atom id 1: O1
chem comp bond.atom id 2: C2
chem comp bond.comp id: LJP
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

O1,C7,LJP
type: chem comp bond
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/LJP/chem_comp_atom/,
chem comp bond.atom id 1: O1
chem comp bond.atom id 2: C7
chem comp bond.comp id: LJP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 3
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C2,C3,LJP
type: chem comp bond
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/LJP/chem_comp_atom/,
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: C3
chem comp bond.comp id: LJP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 4
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C2,C4,LJP
type: chem comp bond
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/LJP/chem_comp_atom/,
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: C4
chem comp bond.comp id: LJP
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

N2,C13,LJP
type: chem comp bond
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/LJP/chem_comp_atom/,
chem comp bond.atom id 1: N2
chem comp bond.atom id 2: C13
chem comp bond.comp id: LJP
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

N2,C10,LJP
type: chem comp bond
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/LJP/chem_comp_atom/,
chem comp bond.atom id 1: N2
chem comp bond.atom id 2: C10
chem comp bond.comp id: LJP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 7
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

O3,C13,LJP
type: chem comp bond
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/LJP/chem_comp_atom/,
chem comp bond.atom id 1: O3
chem comp bond.atom id 2: C13
chem comp bond.comp id: LJP
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: doub

C4,C5,LJP
type: chem comp bond
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/LJP/chem_comp_atom/,
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: C5
chem comp bond.comp id: LJP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 9
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C5,C6,LJP
type: chem comp bond
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/LJP/chem_comp_atom/,
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: C6
chem comp bond.comp id: LJP
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 10
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C5,C11,LJP
type: chem comp bond
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/LJP/chem_comp_atom/,
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: C11
chem comp bond.comp id: LJP
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 11
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C6,C7,LJP
type: chem comp bond
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/LJP/chem_comp_atom/,
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: C7
chem comp bond.comp id: LJP
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

C6,S1,LJP
type: chem comp bond
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/LJP/chem_comp_atom/,
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: S1
chem comp bond.comp id: LJP
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 13
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C7,C8,LJP
type: chem comp bond
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/LJP/chem_comp_atom/,
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: C8
chem comp bond.comp id: LJP
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

C7,C9,LJP
type: chem comp bond
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/LJP/chem_comp_atom/,
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: C9
chem comp bond.comp id: LJP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 15
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C16,C15,LJP
type: chem comp bond
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/LJP/chem_comp_atom/,
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: C15
chem comp bond.comp id: LJP
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: doub

C16,C14,LJP
type: chem comp bond
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/LJP/chem_comp_atom/,
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: C14
chem comp bond.comp id: LJP
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 17
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C15,N4,LJP
type: chem comp bond
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/LJP/chem_comp_atom/,
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: N4
chem comp bond.comp id: LJP
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

N4,N3,LJP
type: chem comp bond
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/LJP/chem_comp_atom/,
chem comp bond.atom id 1: N4
chem comp bond.atom id 2: N3
chem comp bond.comp id: LJP
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 19
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N3,C14,LJP
type: chem comp bond
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/LJP/chem_comp_atom/,
chem comp bond.atom id 1: N3
chem comp bond.atom id 2: C14
chem comp bond.comp id: LJP
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 20
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C14,C13,LJP
type: chem comp bond
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/LJP/chem_comp_atom/,
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: C13
chem comp bond.comp id: LJP
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

C10,S1,LJP
type: chem comp bond
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/LJP/chem_comp_atom/,
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: S1
chem comp bond.comp id: LJP
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: sing

C10,C11,LJP
type: chem comp bond
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/LJP/chem_comp_atom/,
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: C11
chem comp bond.comp id: LJP
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 23
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C11,C12,LJP
type: chem comp bond
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/LJP/chem_comp_atom/,
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: C12
chem comp bond.comp id: LJP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 24
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C12,O2,LJP
type: chem comp bond
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/LJP/chem_comp_atom/,
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: O2
chem comp bond.comp id: LJP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 25
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C12,N1,LJP
type: chem comp bond
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/LJP/chem_comp_atom/,
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: N1
chem comp bond.comp id: LJP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 26
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C1,H1,LJP
type: chem comp bond
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/LJP/chem_comp_atom/,
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H1
chem comp bond.comp id: LJP
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

C1,H2,LJP
type: chem comp bond
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/LJP/chem_comp_atom/,
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H2
chem comp bond.comp id: LJP
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

C1,H3,LJP
type: chem comp bond
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/LJP/chem_comp_atom/,
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H3
chem comp bond.comp id: LJP
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

C3,H4,LJP
type: chem comp bond
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/LJP/chem_comp_atom/,
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: H4
chem comp bond.comp id: LJP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 30
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C3,H5,LJP
type: chem comp bond
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/LJP/chem_comp_atom/,
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: H5
chem comp bond.comp id: LJP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 31
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C3,H6,LJP
type: chem comp bond
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/LJP/chem_comp_atom/,
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: H6
chem comp bond.comp id: LJP
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

C4,H7,LJP
type: chem comp bond
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/LJP/chem_comp_atom/,
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: H7
chem comp bond.comp id: LJP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 33
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C4,H8,LJP
type: chem comp bond
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/LJP/chem_comp_atom/,
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: H8
chem comp bond.comp id: LJP
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

C8,H10,LJP
type: chem comp bond
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/LJP/chem_comp_atom/,
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: H10
chem comp bond.comp id: LJP
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

C8,H11,LJP
type: chem comp bond
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/LJP/chem_comp_atom/,
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: H11
chem comp bond.comp id: LJP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 36
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C8,H12,LJP
type: chem comp bond
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/LJP/chem_comp_atom/,
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: H12
chem comp bond.comp id: LJP
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

C16,H13,LJP
type: chem comp bond
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/LJP/chem_comp_atom/,
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: H13
chem comp bond.comp id: LJP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 38
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C15,H14,LJP
type: chem comp bond
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/LJP/chem_comp_atom/,
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: H14
chem comp bond.comp id: LJP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 39
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N4,H15,LJP
type: chem comp bond
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/LJP/chem_comp_atom/,
chem comp bond.atom id 1: N4
chem comp bond.atom id 2: H15
chem comp bond.comp id: LJP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 40
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C9,H16,LJP
type: chem comp bond
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/LJP/chem_comp_atom/,
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: H16
chem comp bond.comp id: LJP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 41
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C9,H17,LJP
type: chem comp bond
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/LJP/chem_comp_atom/,
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: H17
chem comp bond.comp id: LJP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 42
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C9,H18,LJP
type: chem comp bond
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/LJP/chem_comp_atom/,
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: H18
chem comp bond.comp id: LJP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 43
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N1,H19,LJP
type: chem comp bond
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/LJP/chem_comp_atom/,
chem comp bond.atom id 1: N1
chem comp bond.atom id 2: H19
chem comp bond.comp id: LJP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 44
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N1,H20,LJP
type: chem comp bond
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/LJP/chem_comp_atom/,
chem comp bond.atom id 1: N1
chem comp bond.atom id 2: H20
chem comp bond.comp id: LJP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 45
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N2,H21,LJP
type: chem comp bond
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/LJP/chem_comp_atom/,
chem comp bond.atom id 1: N2
chem comp bond.atom id 2: H21
chem comp bond.comp id: LJP
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 46
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

Create component,LJP,2019-02-22
type: pdbx chem comp audit
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
pdbx chem comp audit.action type: Create component
pdbx chem comp audit.comp id: LJP
pdbx chem comp audit.date: 2019-02-22
pdbx chem comp audit.processing site: RCSB

Initial release,LJP,2019-06-26
type: pdbx chem comp audit
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
pdbx chem comp audit.action type: Initial release
pdbx chem comp audit.comp id: LJP
pdbx chem comp audit.date: 2019-06-26
pdbx chem comp audit.processing site: RCSB

LJP,ACDLabs,12.01,SMILES
type: pdbx chem comp descriptor
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: LJP
pdbx chem comp descriptor.program: ACDLabs
pdbx chem comp descriptor.program version: 12.01
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: CC1(OC(c3c(C1)c(c(NC(=O)c2ccnn2)s3)C(=O)N)(C)C)C

LJP,InChI,1.03,InChI
type: pdbx chem comp descriptor
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: LJP
pdbx chem comp descriptor.program: InChI
pdbx chem comp descriptor.program version: 1.03
pdbx chem comp descriptor.type: InChI
pdbx chem comp descriptor.descriptor: InChI=1S/C16H20N4O3S/c1-15(2)7-8-10(12(17)21)14(24-11(8)16(3,4)23-15)19-13(22)9-5-6-18-20-9/h5-6H,7H2,1-4H3,(H2,17,21)(H,18,20)(H,19,22)

LJP,InChI,1.03,InChIKey
type: pdbx chem comp descriptor
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: LJP
pdbx chem comp descriptor.program: InChI
pdbx chem comp descriptor.program version: 1.03
pdbx chem comp descriptor.type: InChIKey
pdbx chem comp descriptor.descriptor: GHTGYZMBQPXTCQ-UHFFFAOYSA-N

LJP,CACTVS,3.385,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: LJP
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: CC1(C)Cc2c(sc(NC(=O)c3cc[nH]n3)c2C(N)=O)C(C)(C)O1

LJP,CACTVS,3.385,SMILES
type: pdbx chem comp descriptor
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: LJP
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: CC1(C)Cc2c(sc(NC(=O)c3cc[nH]n3)c2C(N)=O)C(C)(C)O1

LJP,OpenEye OEToolkits,2.0.7,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: LJP
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: CC1(Cc2c(c(sc2C(O1)(C)C)NC(=O)c3cc[nH]n3)C(=O)N)C

LJP,OpenEye OEToolkits,2.0.7,SMILES
type: pdbx chem comp descriptor
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: LJP
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: CC1(Cc2c(c(sc2C(O1)(C)C)NC(=O)c3cc[nH]n3)C(=O)N)C

LJP,ACDLabs,12.01,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: LJP
pdbx chem comp identifier.program: ACDLabs
pdbx chem comp identifier.program version: 12.01
pdbx chem comp identifier.type: SYSTEMATIC NAME
pdbx chem comp identifier.identifier: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide

LJP,OpenEye OEToolkits,2.0.7,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: LJP
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: ~{N}-(3-aminocarbonyl-5,5,7,7-tetramethyl-4~{H}-thieno[2,3-c]pyran-2-yl)-1~{H}-pyrazole-3-carboxamide