'5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
type: datablock
datablock name: A5A
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

A5A
type: chem comp
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
chem comp.id: A5A
chem comp.formula: C13 H19 N7 O7 S
chem comp.formula weight: 417.398
chem comp.name: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
chem comp.pdbx ambiguous flag: N
chem comp.pdbx formal charge: 0
chem comp.pdbx ideal coordinates missing flag: N
chem comp.pdbx initial date: 2003-01-08
chem comp.pdbx model coordinates db code: 1NJ6
chem comp.pdbx model coordinates missing flag: N
chem comp.pdbx modified date: 2011-06-04
chem comp.pdbx processing site: RCSB
chem comp.pdbx release status: REL
chem comp.pdbx type: HETAIN
chem comp.three letter code: A5A
chem comp.type: non-polymer

N,A5A
type: chem comp atom
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
chem comp atom.atom id: N
chem comp atom.comp id: A5A
chem comp atom.alt atom id: N
chem comp atom.charge: 0
chem comp atom.model cartn x: -35.916
chem comp atom.model cartn y: -79.543
chem comp atom.model cartn z: -41.286
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: N
chem comp atom.pdbx component comp id: A5A
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.896
chem comp atom.pdbx model cartn y ideal: -0.081
chem comp atom.pdbx model cartn z ideal: 2.408
chem comp atom.pdbx ordinal: 1
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

CA,A5A
type: chem comp atom
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
chem comp atom.atom id: CA
chem comp atom.comp id: A5A
chem comp atom.alt atom id: CA
chem comp atom.charge: 0
chem comp atom.model cartn x: -34.465
chem comp atom.model cartn y: -79.622
chem comp atom.model cartn z: -41.180
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: CA
chem comp atom.pdbx component comp id: A5A
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.052
chem comp atom.pdbx model cartn y ideal: -0.721
chem comp atom.pdbx model cartn z ideal: 3.426
chem comp atom.pdbx ordinal: 2
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C

CB,A5A
type: chem comp atom
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
chem comp atom.atom id: CB
chem comp atom.comp id: A5A
chem comp atom.alt atom id: CB
chem comp atom.charge: 0
chem comp atom.model cartn x: -33.846
chem comp atom.model cartn y: -78.226
chem comp atom.model cartn z: -41.044
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: CB
chem comp atom.pdbx component comp id: A5A
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.776
chem comp atom.pdbx model cartn y ideal: -0.702
chem comp atom.pdbx model cartn z ideal: 4.774
chem comp atom.pdbx ordinal: 3
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C,A5A
type: chem comp atom
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
chem comp atom.atom id: C
chem comp atom.comp id: A5A
chem comp atom.alt atom id: C
chem comp atom.charge: 0
chem comp atom.model cartn x: -34.129
chem comp atom.model cartn y: -80.393
chem comp atom.model cartn z: -39.939
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C
chem comp atom.pdbx component comp id: A5A
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.751
chem comp atom.pdbx model cartn y ideal: 0.027
chem comp atom.pdbx model cartn z ideal: 3.543
chem comp atom.pdbx ordinal: 4
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

O,A5A
type: chem comp atom
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
chem comp atom.atom id: O
chem comp atom.comp id: A5A
chem comp atom.alt atom id: O
chem comp atom.charge: 0
chem comp atom.model cartn x: -34.920
chem comp atom.model cartn y: -80.869
chem comp atom.model cartn z: -39.162
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O
chem comp atom.pdbx component comp id: A5A
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.714
chem comp atom.pdbx model cartn y ideal: 1.218
chem comp atom.pdbx model cartn z ideal: 3.316
chem comp atom.pdbx ordinal: 5
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

N3S,A5A
type: chem comp atom
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
chem comp atom.atom id: N3S
chem comp atom.comp id: A5A
chem comp atom.alt atom id: N3S
chem comp atom.charge: 0
chem comp atom.model cartn x: -32.908
chem comp atom.model cartn y: -81.004
chem comp atom.model cartn z: -40.050
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: N3S
chem comp atom.pdbx component comp id: A5A
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.627
chem comp atom.pdbx model cartn y ideal: -0.624
chem comp atom.pdbx model cartn z ideal: 3.901
chem comp atom.pdbx ordinal: 6
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

S,A5A
type: chem comp atom
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
chem comp atom.atom id: S
chem comp atom.comp id: A5A
chem comp atom.alt atom id: S
chem comp atom.charge: 0
chem comp atom.model cartn x: -32.320
chem comp atom.model cartn y: -82.112
chem comp atom.model cartn z: -39.035
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: S
chem comp atom.pdbx component comp id: A5A
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.803
chem comp atom.pdbx model cartn y ideal: 0.199
chem comp atom.pdbx model cartn z ideal: 4.030
chem comp atom.pdbx ordinal: 7
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: S

O1S,A5A
type: chem comp atom
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
chem comp atom.atom id: O1S
chem comp atom.comp id: A5A
chem comp atom.alt atom id: O1S
chem comp atom.charge: 0
chem comp atom.model cartn x: -33.300
chem comp atom.model cartn y: -83.197
chem comp atom.model cartn z: -38.833
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O1S
chem comp atom.pdbx component comp id: A5A
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.800
chem comp atom.pdbx model cartn y ideal: -0.789
chem comp atom.pdbx model cartn z ideal: 4.245
chem comp atom.pdbx ordinal: 8
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

O2S,A5A
type: chem comp atom
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
chem comp atom.atom id: O2S
chem comp atom.comp id: A5A
chem comp atom.alt atom id: O2S
chem comp atom.charge: 0
chem comp atom.model cartn x: -30.983
chem comp atom.model cartn y: -82.467
chem comp atom.model cartn z: -39.622
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O2S
chem comp atom.pdbx component comp id: A5A
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.538
chem comp atom.pdbx model cartn y ideal: 1.300
chem comp atom.pdbx model cartn z ideal: 4.888
chem comp atom.pdbx ordinal: 9
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

O5',A5A
type: chem comp atom
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
chem comp atom.atom id: O5'
chem comp atom.comp id: A5A
chem comp atom.alt atom id: O5*
chem comp atom.charge: 0
chem comp atom.model cartn x: -32.041
chem comp atom.model cartn y: -81.372
chem comp atom.model cartn z: -37.648
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O5'
chem comp atom.pdbx component comp id: A5A
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.106
chem comp atom.pdbx model cartn y ideal: 0.801
chem comp atom.pdbx model cartn z ideal: 2.665
chem comp atom.pdbx ordinal: 10
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

C5',A5A
type: chem comp atom
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
chem comp atom.atom id: C5'
chem comp atom.comp id: A5A
chem comp atom.alt atom id: C5*
chem comp atom.charge: 0
chem comp atom.model cartn x: -31.265
chem comp atom.model cartn y: -80.166
chem comp atom.model cartn z: -37.623
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C5'
chem comp atom.pdbx component comp id: A5A
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.871
chem comp atom.pdbx model cartn y ideal: -0.167
chem comp atom.pdbx model cartn z ideal: 1.946
chem comp atom.pdbx ordinal: 11
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C4',A5A
type: chem comp atom
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
chem comp atom.atom id: C4'
chem comp atom.comp id: A5A
chem comp atom.alt atom id: C4*
chem comp atom.charge: 0
chem comp atom.model cartn x: -30.221
chem comp atom.model cartn y: -80.182
chem comp atom.model cartn z: -36.527
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: A5A
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.211
chem comp atom.pdbx model cartn y ideal: 0.378
chem comp atom.pdbx model cartn z ideal: 0.558
chem comp atom.pdbx ordinal: 12
chem comp atom.pdbx stereo config: R
chem comp atom.type symbol: C

O4',A5A
type: chem comp atom
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
chem comp atom.atom id: O4'
chem comp atom.comp id: A5A
chem comp atom.alt atom id: O4*
chem comp atom.charge: 0
chem comp atom.model cartn x: -30.829
chem comp atom.model cartn y: -80.429
chem comp atom.model cartn z: -35.227
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O4'
chem comp atom.pdbx component comp id: A5A
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.002
chem comp atom.pdbx model cartn y ideal: 0.621
chem comp atom.pdbx model cartn z ideal: -0.180
chem comp atom.pdbx ordinal: 13
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

C3',A5A
type: chem comp atom
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
chem comp atom.atom id: C3'
chem comp atom.comp id: A5A
chem comp atom.alt atom id: C3*
chem comp atom.charge: 0
chem comp atom.model cartn x: -29.142
chem comp atom.model cartn y: -81.242
chem comp atom.model cartn z: -36.644
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: A5A
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.031
chem comp atom.pdbx model cartn y ideal: -0.662
chem comp atom.pdbx model cartn z ideal: -0.228
chem comp atom.pdbx ordinal: 14
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C

O3',A5A
type: chem comp atom
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
chem comp atom.atom id: O3'
chem comp atom.comp id: A5A
chem comp atom.alt atom id: O3*
chem comp atom.charge: 0
chem comp atom.model cartn x: -28.123
chem comp atom.model cartn y: -80.814
chem comp atom.model cartn z: -37.549
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: A5A
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.309
chem comp atom.pdbx model cartn y ideal: -0.135
chem comp atom.pdbx model cartn z ideal: -0.587
chem comp atom.pdbx ordinal: 15
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

C2',A5A
type: chem comp atom
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
chem comp atom.atom id: C2'
chem comp atom.comp id: A5A
chem comp atom.alt atom id: C2*
chem comp atom.charge: 0
chem comp atom.model cartn x: -28.664
chem comp atom.model cartn y: -81.414
chem comp atom.model cartn z: -35.206
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: A5A
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.179
chem comp atom.pdbx model cartn y ideal: -0.932
chem comp atom.pdbx model cartn z ideal: -1.496
chem comp atom.pdbx ordinal: 16
chem comp atom.pdbx stereo config: R
chem comp atom.type symbol: C

O2',A5A
type: chem comp atom
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
chem comp atom.atom id: O2'
chem comp atom.comp id: A5A
chem comp atom.alt atom id: O2*
chem comp atom.charge: 0
chem comp atom.model cartn x: -27.612
chem comp atom.model cartn y: -80.532
chem comp atom.model cartn z: -34.832
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: A5A
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.009
chem comp atom.pdbx model cartn y ideal: -1.037
chem comp atom.pdbx model cartn z ideal: -2.654
chem comp atom.pdbx ordinal: 17
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

C1',A5A
type: chem comp atom
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
chem comp atom.atom id: C1'
chem comp atom.comp id: A5A
chem comp atom.alt atom id: C1*
chem comp atom.charge: 0
chem comp atom.model cartn x: -29.920
chem comp atom.model cartn y: -81.144
chem comp atom.model cartn z: -34.393
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: A5A
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.290
chem comp atom.pdbx model cartn y ideal: 0.335
chem comp atom.pdbx model cartn z ideal: -1.565
chem comp atom.pdbx ordinal: 18
chem comp atom.pdbx stereo config: R
chem comp atom.type symbol: C

N9,A5A
type: chem comp atom
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
chem comp atom.atom id: N9
chem comp atom.comp id: A5A
chem comp atom.alt atom id: N9
chem comp atom.charge: 0
chem comp atom.model cartn x: -30.608
chem comp atom.model cartn y: -82.342
chem comp atom.model cartn z: -33.855
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: N9
chem comp atom.pdbx component comp id: A5A
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.054
chem comp atom.pdbx model cartn y ideal: 0.062
chem comp atom.pdbx model cartn z ideal: -2.304
chem comp atom.pdbx ordinal: 19
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

C8,A5A
type: chem comp atom
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
chem comp atom.atom id: C8
chem comp atom.comp id: A5A
chem comp atom.alt atom id: C8
chem comp atom.charge: 0
chem comp atom.model cartn x: -31.269
chem comp atom.model cartn y: -83.354
chem comp atom.model cartn z: -34.529
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C8
chem comp atom.pdbx component comp id: A5A
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.093
chem comp atom.pdbx model cartn y ideal: -0.461
chem comp atom.pdbx model cartn z ideal: -1.789
chem comp atom.pdbx ordinal: 20
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

N7,A5A
type: chem comp atom
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
chem comp atom.atom id: N7
chem comp atom.comp id: A5A
chem comp atom.alt atom id: N7
chem comp atom.charge: 0
chem comp atom.model cartn x: -31.787
chem comp atom.model cartn y: -84.276
chem comp atom.model cartn z: -33.735
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: N7
chem comp atom.pdbx component comp id: A5A
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.991
chem comp atom.pdbx model cartn y ideal: -0.569
chem comp atom.pdbx model cartn z ideal: -2.724
chem comp atom.pdbx ordinal: 21
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

C5,A5A
type: chem comp atom
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
chem comp atom.atom id: C5
chem comp atom.comp id: A5A
chem comp atom.alt atom id: C5
chem comp atom.charge: 0
chem comp atom.model cartn x: -31.451
chem comp atom.model cartn y: -83.852
chem comp atom.model cartn z: -32.457
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: A5A
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.478
chem comp atom.pdbx model cartn y ideal: -0.123
chem comp atom.pdbx model cartn z ideal: -3.896
chem comp atom.pdbx ordinal: 22
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C6,A5A
type: chem comp atom
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
chem comp atom.atom id: C6
chem comp atom.comp id: A5A
chem comp atom.alt atom id: C6
chem comp atom.charge: 0
chem comp atom.model cartn x: -31.704
chem comp atom.model cartn y: -84.385
chem comp atom.model cartn z: -31.147
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: A5A
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.968
chem comp atom.pdbx model cartn y ideal: -0.001
chem comp atom.pdbx model cartn z ideal: -5.207
chem comp atom.pdbx ordinal: 23
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

N6,A5A
type: chem comp atom
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
chem comp atom.atom id: N6
chem comp atom.comp id: A5A
chem comp atom.alt atom id: N6
chem comp atom.charge: 0
chem comp atom.model cartn x: -32.390
chem comp atom.model cartn y: -85.513
chem comp atom.model cartn z: -30.931
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: N6
chem comp atom.pdbx component comp id: A5A
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.259
chem comp atom.pdbx model cartn y ideal: -0.390
chem comp atom.pdbx model cartn z ideal: -5.519
chem comp atom.pdbx ordinal: 24
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

N1,A5A
type: chem comp atom
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
chem comp atom.atom id: N1
chem comp atom.comp id: A5A
chem comp atom.alt atom id: N1
chem comp atom.charge: 0
chem comp atom.model cartn x: -31.218
chem comp atom.model cartn y: -83.700
chem comp atom.model cartn z: -30.055
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: N1
chem comp atom.pdbx component comp id: A5A
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.163
chem comp atom.pdbx model cartn y ideal: 0.494
chem comp atom.pdbx model cartn z ideal: -6.141
chem comp atom.pdbx ordinal: 25
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

C2,A5A
type: chem comp atom
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
chem comp atom.atom id: C2
chem comp atom.comp id: A5A
chem comp atom.alt atom id: C2
chem comp atom.charge: 0
chem comp atom.model cartn x: -30.519
chem comp atom.model cartn y: -82.546
chem comp atom.model cartn z: -30.255
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C2
chem comp atom.pdbx component comp id: A5A
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: 0.868
chem comp atom.pdbx model cartn z ideal: -5.852
chem comp atom.pdbx ordinal: 26
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

N3,A5A
type: chem comp atom
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
chem comp atom.atom id: N3
chem comp atom.comp id: A5A
chem comp atom.alt atom id: N3
chem comp atom.charge: 0
chem comp atom.model cartn x: -30.221
chem comp atom.model cartn y: -81.951
chem comp atom.model cartn z: -31.437
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: A5A
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.571
chem comp atom.pdbx model cartn y ideal: 0.772
chem comp atom.pdbx model cartn z ideal: -4.639
chem comp atom.pdbx ordinal: 27
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

C4,A5A
type: chem comp atom
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
chem comp atom.atom id: C4
chem comp atom.comp id: A5A
chem comp atom.alt atom id: C4
chem comp atom.charge: 0
chem comp atom.model cartn x: -30.718
chem comp atom.model cartn y: -82.657
chem comp atom.model cartn z: -32.508
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C4
chem comp atom.pdbx component comp id: A5A
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.157
chem comp atom.pdbx model cartn y ideal: 0.283
chem comp atom.pdbx model cartn z ideal: -3.641
chem comp atom.pdbx ordinal: 28
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

H,A5A
type: chem comp atom
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
chem comp atom.atom id: H
chem comp atom.comp id: A5A
chem comp atom.alt atom id: H
chem comp atom.charge: 0
chem comp atom.model cartn x: -36.327
chem comp atom.model cartn y: -80.471
chem comp atom.model cartn z: -41.376
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H
chem comp atom.pdbx component comp id: A5A
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.054
chem comp atom.pdbx model cartn y ideal: 0.865
chem comp atom.pdbx model cartn z ideal: 2.717
chem comp atom.pdbx ordinal: 29
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

HN2,A5A
type: chem comp atom
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
chem comp atom.atom id: HN2
chem comp atom.comp id: A5A
chem comp atom.alt atom id: HN2
chem comp atom.charge: 0
chem comp atom.model cartn x: -36.204
chem comp atom.model cartn y: -78.928
chem comp atom.model cartn z: -42.047
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: HN2
chem comp atom.pdbx component comp id: A5A
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.790
chem comp atom.pdbx model cartn y ideal: -0.549
chem comp atom.pdbx model cartn z ideal: 2.437
chem comp atom.pdbx ordinal: 30
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

HA,A5A
type: chem comp atom
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
chem comp atom.atom id: HA
chem comp atom.comp id: A5A
chem comp atom.alt atom id: HA
chem comp atom.charge: 0
chem comp atom.model cartn x: -34.064
chem comp atom.model cartn y: -80.112
chem comp atom.model cartn z: -42.098
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: HA
chem comp atom.pdbx component comp id: A5A
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.853
chem comp atom.pdbx model cartn y ideal: -1.753
chem comp atom.pdbx model cartn z ideal: 3.136
chem comp atom.pdbx ordinal: 31
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

HB1,A5A
type: chem comp atom
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
chem comp atom.atom id: HB1
chem comp atom.comp id: A5A
chem comp atom.alt atom id: 1HB
chem comp atom.charge: 0
chem comp atom.model cartn x: -32.735
chem comp atom.model cartn y: -78.286
chem comp atom.model cartn z: -40.962
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: HB1
chem comp atom.pdbx component comp id: A5A
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.717
chem comp atom.pdbx model cartn y ideal: -1.244
chem comp atom.pdbx model cartn z ideal: 4.689
chem comp atom.pdbx ordinal: 32
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

HB2,A5A
type: chem comp atom
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
chem comp atom.atom id: HB2
chem comp atom.comp id: A5A
chem comp atom.alt atom id: 2HB
chem comp atom.charge: 0
chem comp atom.model cartn x: -34.161
chem comp atom.model cartn y: -77.553
chem comp atom.model cartn z: -41.875
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: HB2
chem comp atom.pdbx component comp id: A5A
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.975
chem comp atom.pdbx model cartn y ideal: 0.329
chem comp atom.pdbx model cartn z ideal: 5.064
chem comp atom.pdbx ordinal: 33
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

HB3,A5A
type: chem comp atom
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
chem comp atom.atom id: HB3
chem comp atom.comp id: A5A
chem comp atom.alt atom id: 3HB
chem comp atom.charge: 0
chem comp atom.model cartn x: -34.290
chem comp atom.model cartn y: -77.660
chem comp atom.model cartn z: -40.191
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: HB3
chem comp atom.pdbx component comp id: A5A
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.149
chem comp atom.pdbx model cartn y ideal: -1.177
chem comp atom.pdbx model cartn z ideal: 5.529
chem comp atom.pdbx ordinal: 34
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H3S,A5A
type: chem comp atom
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
chem comp atom.atom id: H3S
chem comp atom.comp id: A5A
chem comp atom.alt atom id: H3S
chem comp atom.charge: 0
chem comp atom.model cartn x: -32.441
chem comp atom.model cartn y: -80.637
chem comp atom.model cartn z: -40.879
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H3S
chem comp atom.pdbx component comp id: A5A
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.656
chem comp atom.pdbx model cartn y ideal: -1.577
chem comp atom.pdbx model cartn z ideal: 4.083
chem comp atom.pdbx ordinal: 35
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H5'1,A5A
type: chem comp atom
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
chem comp atom.atom id: H5'1
chem comp atom.comp id: A5A
chem comp atom.alt atom id: 1H5*
chem comp atom.charge: 0
chem comp atom.model cartn x: -30.803
chem comp atom.model cartn y: -79.962
chem comp atom.model cartn z: -38.617
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H5'1
chem comp atom.pdbx component comp id: A5A
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.292
chem comp atom.pdbx model cartn y ideal: -1.085
chem comp atom.pdbx model cartn z ideal: 1.844
chem comp atom.pdbx ordinal: 36
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H5'2,A5A
type: chem comp atom
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
chem comp atom.atom id: H5'2
chem comp atom.comp id: A5A
chem comp atom.alt atom id: 2H5*
chem comp atom.charge: 0
chem comp atom.model cartn x: -31.919
chem comp atom.model cartn y: -79.266
chem comp atom.model cartn z: -37.544
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H5'2
chem comp atom.pdbx component comp id: A5A
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.793
chem comp atom.pdbx model cartn y ideal: -0.377
chem comp atom.pdbx model cartn z ideal: 2.489
chem comp atom.pdbx ordinal: 37
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H4',A5A
type: chem comp atom
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
chem comp atom.atom id: H4'
chem comp atom.comp id: A5A
chem comp atom.alt atom id: H4*
chem comp atom.charge: 0
chem comp atom.model cartn x: -29.755
chem comp atom.model cartn y: -79.174
chem comp atom.model cartn z: -36.634
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: A5A
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.780
chem comp atom.pdbx model cartn y ideal: 1.303
chem comp atom.pdbx model cartn z ideal: 0.652
chem comp atom.pdbx ordinal: 38
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H3',A5A
type: chem comp atom
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
chem comp atom.atom id: H3'
chem comp atom.comp id: A5A
chem comp atom.alt atom id: H3*
chem comp atom.charge: 0
chem comp atom.model cartn x: -29.488
chem comp atom.model cartn y: -82.213
chem comp atom.model cartn z: -37.068
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: A5A
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.146
chem comp atom.pdbx model cartn y ideal: -1.576
chem comp atom.pdbx model cartn z ideal: 0.355
chem comp atom.pdbx ordinal: 39
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H3T,A5A
type: chem comp atom
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
chem comp atom.atom id: H3T
chem comp atom.comp id: A5A
chem comp atom.alt atom id: H3T
chem comp atom.charge: 0
chem comp atom.model cartn x: -27.447
chem comp atom.model cartn y: -81.477
chem comp atom.model cartn z: -37.622
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H3T
chem comp atom.pdbx component comp id: A5A
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.748
chem comp atom.pdbx model cartn y ideal: -0.807
chem comp atom.pdbx model cartn z ideal: -1.126
chem comp atom.pdbx ordinal: 40
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H2',A5A
type: chem comp atom
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
chem comp atom.atom id: H2'
chem comp atom.comp id: A5A
chem comp atom.alt atom id: H2*
chem comp atom.charge: 0
chem comp atom.model cartn x: -28.220
chem comp atom.model cartn y: -82.424
chem comp atom.model cartn z: -35.044
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: A5A
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.570
chem comp atom.pdbx model cartn y ideal: -1.828
chem comp atom.pdbx model cartn z ideal: -1.374
chem comp atom.pdbx ordinal: 41
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

HO'2,A5A
type: chem comp atom
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
chem comp atom.atom id: HO'2
chem comp atom.comp id: A5A
chem comp atom.alt atom id: 2HO*
chem comp atom.charge: 0
chem comp atom.model cartn x: -27.314
chem comp atom.model cartn y: -80.639
chem comp atom.model cartn z: -33.936
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: HO'2
chem comp atom.pdbx component comp id: A5A
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.534
chem comp atom.pdbx model cartn y ideal: -1.842
chem comp atom.pdbx model cartn z ideal: -2.549
chem comp atom.pdbx ordinal: 42
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H1',A5A
type: chem comp atom
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
chem comp atom.atom id: H1'
chem comp atom.comp id: A5A
chem comp atom.alt atom id: H1*
chem comp atom.charge: 0
chem comp atom.model cartn x: -29.593
chem comp atom.model cartn y: -80.569
chem comp atom.model cartn z: -33.495
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: A5A
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.834
chem comp atom.pdbx model cartn y ideal: 1.161
chem comp atom.pdbx model cartn z ideal: -2.023
chem comp atom.pdbx ordinal: 43
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H8,A5A
type: chem comp atom
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
chem comp atom.atom id: H8
chem comp atom.comp id: A5A
chem comp atom.alt atom id: H8
chem comp atom.charge: 0
chem comp atom.model cartn x: -31.375
chem comp atom.model cartn y: -83.421
chem comp atom.model cartn z: -35.624
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: A5A
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.237
chem comp atom.pdbx model cartn y ideal: -0.744
chem comp atom.pdbx model cartn z ideal: -0.756
chem comp atom.pdbx ordinal: 44
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H61,A5A
type: chem comp atom
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
chem comp atom.atom id: H61
chem comp atom.comp id: A5A
chem comp atom.alt atom id: 1H6
chem comp atom.charge: 0
chem comp atom.model cartn x: -32.569
chem comp atom.model cartn y: -85.891
chem comp atom.model cartn z: -30.001
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H61
chem comp atom.pdbx component comp id: A5A
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.586
chem comp atom.pdbx model cartn y ideal: -0.302
chem comp atom.pdbx model cartn z ideal: -6.428
chem comp atom.pdbx ordinal: 45
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H62,A5A
type: chem comp atom
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
chem comp atom.atom id: H62
chem comp atom.comp id: A5A
chem comp atom.alt atom id: 2H6
chem comp atom.charge: 0
chem comp atom.model cartn x: -31.941
chem comp atom.model cartn y: -86.249
chem comp atom.model cartn z: -31.476
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H62
chem comp atom.pdbx component comp id: A5A
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.837
chem comp atom.pdbx model cartn y ideal: -0.752
chem comp atom.pdbx model cartn z ideal: -4.829
chem comp atom.pdbx ordinal: 46
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H2,A5A
type: chem comp atom
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
chem comp atom.atom id: H2
chem comp atom.comp id: A5A
chem comp atom.alt atom id: H2
chem comp atom.charge: 0
chem comp atom.model cartn x: -30.150
chem comp atom.model cartn y: -82.031
chem comp atom.model cartn z: -29.351
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: A5A
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.690
chem comp atom.pdbx model cartn y ideal: 1.266
chem comp atom.pdbx model cartn z ideal: -6.641
chem comp atom.pdbx ordinal: 47
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

N,CA,A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.comp id: A5A
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

N,H,A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.comp id: A5A
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

N,HN2,A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: N
chem comp bond.atom id 2: HN2
chem comp bond.comp id: A5A
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

CA,CB,A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.comp id: A5A
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

CA,C,A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.comp id: A5A
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

CA,HA,A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA
chem comp bond.comp id: A5A
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

CB,HB1,A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB1
chem comp bond.comp id: A5A
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

CB,HB2,A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB2
chem comp bond.comp id: A5A
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

CB,HB3,A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB3
chem comp bond.comp id: A5A
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

C,O,A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.comp id: A5A
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: doub

C,N3S,A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: C
chem comp bond.atom id 2: N3S
chem comp bond.comp id: A5A
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

N3S,S,A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: N3S
chem comp bond.atom id 2: S
chem comp bond.comp id: A5A
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

N3S,H3S,A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: N3S
chem comp bond.atom id 2: H3S
chem comp bond.comp id: A5A
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

S,O1S,A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: S
chem comp bond.atom id 2: O1S
chem comp bond.comp id: A5A
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: doub

S,O2S,A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: S
chem comp bond.atom id 2: O2S
chem comp bond.comp id: A5A
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: doub

S,O5',A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: S
chem comp bond.atom id 2: O5'
chem comp bond.comp id: A5A
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 16
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

O5',C5',A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: O5'
chem comp bond.atom id 2: C5'
chem comp bond.comp id: A5A
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

C5',C4',A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: C5'
chem comp bond.atom id 2: C4'
chem comp bond.comp id: A5A
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 18
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C5',H5'1,A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: C5'
chem comp bond.atom id 2: H5'1
chem comp bond.comp id: A5A
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

C5',H5'2,A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: C5'
chem comp bond.atom id 2: H5'2
chem comp bond.comp id: A5A
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 20
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C4',O4',A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: C4'
chem comp bond.atom id 2: O4'
chem comp bond.comp id: A5A
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

C4',C3',A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: C4'
chem comp bond.atom id 2: C3'
chem comp bond.comp id: A5A
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 22
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C4',H4',A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: C4'
chem comp bond.atom id 2: H4'
chem comp bond.comp id: A5A
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 23
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

O4',C1',A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: O4'
chem comp bond.atom id 2: C1'
chem comp bond.comp id: A5A
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

C3',O3',A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: C3'
chem comp bond.atom id 2: O3'
chem comp bond.comp id: A5A
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 25
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C3',C2',A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: C3'
chem comp bond.atom id 2: C2'
chem comp bond.comp id: A5A
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

C3',H3',A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: C3'
chem comp bond.atom id 2: H3'
chem comp bond.comp id: A5A
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

O3',H3T,A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: O3'
chem comp bond.atom id 2: H3T
chem comp bond.comp id: A5A
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

C2',O2',A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: C2'
chem comp bond.atom id 2: O2'
chem comp bond.comp id: A5A
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

C2',C1',A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: C2'
chem comp bond.atom id 2: C1'
chem comp bond.comp id: A5A
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

C2',H2',A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: C2'
chem comp bond.atom id 2: H2'
chem comp bond.comp id: A5A
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

O2',HO'2,A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: O2'
chem comp bond.atom id 2: HO'2
chem comp bond.comp id: A5A
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

C1',N9,A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: C1'
chem comp bond.atom id 2: N9
chem comp bond.comp id: A5A
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

C1',H1',A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: C1'
chem comp bond.atom id 2: H1'
chem comp bond.comp id: A5A
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

N9,C8,A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: N9
chem comp bond.atom id 2: C8
chem comp bond.comp id: A5A
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 35
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N9,C4,A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: N9
chem comp bond.atom id 2: C4
chem comp bond.comp id: A5A
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 36
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C8,N7,A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: N7
chem comp bond.comp id: A5A
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 37
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C8,H8,A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: H8
chem comp bond.comp id: A5A
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

N7,C5,A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: N7
chem comp bond.atom id 2: C5
chem comp bond.comp id: A5A
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: sing

C5,C6,A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: C6
chem comp bond.comp id: A5A
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 40
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C5,C4,A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: C4
chem comp bond.comp id: A5A
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: sing

C6,N6,A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: N6
chem comp bond.comp id: A5A
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

C6,N1,A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: N1
chem comp bond.comp id: A5A
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: sing

N6,H61,A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: N6
chem comp bond.atom id 2: H61
chem comp bond.comp id: A5A
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

N6,H62,A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: N6
chem comp bond.atom id 2: H62
chem comp bond.comp id: A5A
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

N1,C2,A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: N1
chem comp bond.atom id 2: C2
chem comp bond.comp id: A5A
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 46
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C2,N3,A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: N3
chem comp bond.comp id: A5A
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

C2,H2,A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: H2
chem comp bond.comp id: A5A
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 48
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N3,C4,A5A
type: chem comp bond
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/A5A/chem_comp_atom/,
chem comp bond.atom id 1: N3
chem comp bond.atom id 2: C4
chem comp bond.comp id: A5A
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 49
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

Create component,A5A,2003-01-08
type: pdbx chem comp audit
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
pdbx chem comp audit.action type: Create component
pdbx chem comp audit.comp id: A5A
pdbx chem comp audit.date: 2003-01-08
pdbx chem comp audit.processing site: RCSB

Modify descriptor,A5A,2011-06-04
type: pdbx chem comp audit
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
pdbx chem comp audit.action type: Modify descriptor
pdbx chem comp audit.comp id: A5A
pdbx chem comp audit.date: 2011-06-04
pdbx chem comp audit.processing site: RCSB

A5A,ACDLabs,10.04,SMILES
type: pdbx chem comp descriptor
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: A5A
pdbx chem comp descriptor.program: ACDLabs
pdbx chem comp descriptor.program version: 10.04
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)C

A5A,CACTVS,3.341,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: A5A
pdbx chem comp descriptor.program: CACTVS
pdbx chem comp descriptor.program version: 3.341
pdbx chem comp descriptor.type: SMILES_CANONICAL
pdbx chem comp descriptor.descriptor: C[C@H](N)C(=O)N[S](=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23

A5A,CACTVS,3.341,SMILES
type: pdbx chem comp descriptor
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: A5A
pdbx chem comp descriptor.program: CACTVS
pdbx chem comp descriptor.program version: 3.341
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23

A5A,OpenEye OEToolkits,1.5.0,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: A5A
pdbx chem comp descriptor.program: OpenEye OEToolkits
pdbx chem comp descriptor.program version: 1.5.0
pdbx chem comp descriptor.type: SMILES_CANONICAL
pdbx chem comp descriptor.descriptor: C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N

A5A,OpenEye OEToolkits,1.5.0,SMILES
type: pdbx chem comp descriptor
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: A5A
pdbx chem comp descriptor.program: OpenEye OEToolkits
pdbx chem comp descriptor.program version: 1.5.0
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: CC(C(=O)NS(=O)(=O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)N

A5A,InChI,1.03,InChI
type: pdbx chem comp descriptor
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: A5A
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/C13H19N7O7S/c1-5(14)12(23)19-28(24,25)26-2-6-8(21)9(22)13(27-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-22H,2,14H2,1H3,(H,19,23)(H2,15,16,17)/t5-,6+,8+,9+,13+/m0/s1

A5A,InChI,1.03,InChIKey
type: pdbx chem comp descriptor
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: A5A
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: CWWYMWDIYBJVLP-YTMOPEAISA-N

A5A,ACDLabs,10.04,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: A5A
pdbx chem comp identifier.program: ACDLabs
pdbx chem comp identifier.program version: 10.04
pdbx chem comp identifier.type: SYSTEMATIC NAME
pdbx chem comp identifier.identifier: 5'-O-(L-alanylsulfamoyl)adenosine

A5A,OpenEye OEToolkits,1.5.0,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: A5A
pdbx chem comp identifier.program: OpenEye OEToolkits
pdbx chem comp identifier.program version: 1.5.0
pdbx chem comp identifier.type: SYSTEMATIC NAME
pdbx chem comp identifier.identifier: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl N-[(2S)-2-aminopropanoyl]sulfamate