ZANAMIVIR
type: datablock
datablock name: ZMR
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 feature category: pdbx chem comp featureCategory
has pdbx chem comp identifier category: pdbx chem comp identifierCategory
has pdbx chem comp synonyms category: pdbx chem comp synonymsCategory

ZMR
type: chem comp
of datablock: ZANAMIVIR
chem comp.id: ZMR
chem comp.formula: C12 H20 N4 O7
chem comp.formula weight: 332.310
chem comp.name: ZANAMIVIR
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: 1999-07-08
chem comp.pdbx model coordinates db code: 1A4G
chem comp.pdbx model coordinates missing flag: N
chem comp.pdbx modified date: 2020-07-17
chem comp.pdbx processing site: RCSB
chem comp.pdbx release status: REL
chem comp.pdbx synonyms: 4-GUANIDINO-2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID; 4-guanidino-Neu5Ac2en; MODIFIED SIALIC ACID
chem comp.pdbx type: ATOMS
chem comp.three letter code: ZMR
chem comp.type: D-saccharide

C1,ZMR
type: chem comp atom
of datablock: ZANAMIVIR
reference to chem comp: chem comp
chem comp atom.atom id: C1
chem comp atom.comp id: ZMR
chem comp atom.alt atom id: C1
chem comp atom.charge: 0
chem comp atom.model cartn x: 29.597
chem comp atom.model cartn y: 40.001
chem comp atom.model cartn z: -30.935
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: ZMR
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.340
chem comp atom.pdbx model cartn y ideal: 3.484
chem comp atom.pdbx model cartn z ideal: 0.311
chem comp atom.pdbx ordinal: 1
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

O1A,ZMR
type: chem comp atom
of datablock: ZANAMIVIR
reference to chem comp: chem comp
chem comp atom.atom id: O1A
chem comp atom.comp id: ZMR
chem comp atom.alt atom id: O1A
chem comp atom.charge: 0
chem comp atom.model cartn x: 29.676
chem comp atom.model cartn y: 40.436
chem comp atom.model cartn z: -32.191
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O1A
chem comp atom.pdbx component comp id: ZMR
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.554
chem comp atom.pdbx model cartn y ideal: 4.304
chem comp atom.pdbx model cartn z ideal: 0.241
chem comp atom.pdbx ordinal: 2
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

O1B,ZMR
type: chem comp atom
of datablock: ZANAMIVIR
reference to chem comp: chem comp
chem comp atom.atom id: O1B
chem comp atom.comp id: ZMR
chem comp atom.alt atom id: O1B
chem comp atom.charge: 0
chem comp atom.model cartn x: 28.974
chem comp atom.model cartn y: 40.549
chem comp atom.model cartn z: -30.084
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O1B
chem comp atom.pdbx component comp id: ZMR
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.597
chem comp atom.pdbx model cartn y ideal: 3.879
chem comp atom.pdbx model cartn z ideal: 0.591
chem comp atom.pdbx ordinal: 3
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

C2,ZMR
type: chem comp atom
of datablock: ZANAMIVIR
reference to chem comp: chem comp
chem comp atom.atom id: C2
chem comp atom.comp id: ZMR
chem comp atom.alt atom id: C2
chem comp atom.charge: 0
chem comp atom.model cartn x: 30.298
chem comp atom.model cartn y: 38.736
chem comp atom.model cartn z: -30.639
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: ZMR
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.047
chem comp atom.pdbx model cartn y ideal: 2.056
chem comp atom.pdbx model cartn z ideal: 0.095
chem comp atom.pdbx ordinal: 4
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C3,ZMR
type: chem comp atom
of datablock: ZANAMIVIR
reference to chem comp: chem comp
chem comp atom.atom id: C3
chem comp atom.comp id: ZMR
chem comp atom.alt atom id: C3
chem comp atom.charge: 0
chem comp atom.model cartn x: 30.246
chem comp atom.model cartn y: 38.233
chem comp atom.model cartn z: -29.387
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: ZMR
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.200
chem comp atom.pdbx model cartn y ideal: 1.699
chem comp atom.pdbx model cartn z ideal: -0.173
chem comp atom.pdbx ordinal: 5
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C4,ZMR
type: chem comp atom
of datablock: ZANAMIVIR
reference to chem comp: chem comp
chem comp atom.atom id: C4
chem comp atom.comp id: ZMR
chem comp atom.alt atom id: C4
chem comp atom.charge: 0
chem comp atom.model cartn x: 30.950
chem comp atom.model cartn y: 36.958
chem comp atom.model cartn z: -29.043
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: ZMR
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.592
chem comp atom.pdbx model cartn y ideal: 0.267
chem comp atom.pdbx model cartn z ideal: -0.416
chem comp atom.pdbx ordinal: 6
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C

C5,ZMR
type: chem comp atom
of datablock: ZANAMIVIR
reference to chem comp: chem comp
chem comp atom.atom id: C5
chem comp atom.comp id: ZMR
chem comp atom.alt atom id: C5
chem comp atom.charge: 0
chem comp atom.model cartn x: 31.924
chem comp atom.model cartn y: 36.549
chem comp atom.model cartn z: -30.120
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: ZMR
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.494
chem comp atom.pdbx model cartn y ideal: -0.660
chem comp atom.pdbx model cartn z ideal: 0.116
chem comp atom.pdbx ordinal: 7
chem comp atom.pdbx stereo config: R
chem comp atom.type symbol: C

N5,ZMR
type: chem comp atom
of datablock: ZANAMIVIR
reference to chem comp: chem comp
chem comp atom.atom id: N5
chem comp atom.comp id: ZMR
chem comp atom.alt atom id: N5
chem comp atom.charge: 0
chem comp atom.model cartn x: 32.108
chem comp atom.model cartn y: 35.126
chem comp atom.model cartn z: -29.905
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: N5
chem comp atom.pdbx component comp id: ZMR
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.709
chem comp atom.pdbx model cartn y ideal: -2.019
chem comp atom.pdbx model cartn z ideal: -0.386
chem comp atom.pdbx ordinal: 8
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

C10,ZMR
type: chem comp atom
of datablock: ZANAMIVIR
reference to chem comp: chem comp
chem comp atom.atom id: C10
chem comp atom.comp id: ZMR
chem comp atom.alt atom id: C10
chem comp atom.charge: 0
chem comp atom.model cartn x: 33.262
chem comp atom.model cartn y: 34.583
chem comp atom.model cartn z: -29.577
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C10
chem comp atom.pdbx component comp id: ZMR
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.544
chem comp atom.pdbx model cartn y ideal: -2.854
chem comp atom.pdbx model cartn z ideal: 0.263
chem comp atom.pdbx ordinal: 9
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

O10,ZMR
type: chem comp atom
of datablock: ZANAMIVIR
reference to chem comp: chem comp
chem comp atom.atom id: O10
chem comp atom.comp id: ZMR
chem comp atom.alt atom id: O10
chem comp atom.charge: 0
chem comp atom.model cartn x: 34.263
chem comp atom.model cartn y: 35.235
chem comp atom.model cartn z: -29.333
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O10
chem comp atom.pdbx component comp id: ZMR
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.119
chem comp atom.pdbx model cartn y ideal: -2.479
chem comp atom.pdbx model cartn z ideal: 1.263
chem comp atom.pdbx ordinal: 10
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

C11,ZMR
type: chem comp atom
of datablock: ZANAMIVIR
reference to chem comp: chem comp
chem comp atom.atom id: C11
chem comp atom.comp id: ZMR
chem comp atom.alt atom id: C11
chem comp atom.charge: 0
chem comp atom.model cartn x: 33.333
chem comp atom.model cartn y: 33.073
chem comp atom.model cartn z: -29.685
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C11
chem comp atom.pdbx component comp id: ZMR
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.765
chem comp atom.pdbx model cartn y ideal: -4.252
chem comp atom.pdbx model cartn z ideal: -0.254
chem comp atom.pdbx ordinal: 11
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C6,ZMR
type: chem comp atom
of datablock: ZANAMIVIR
reference to chem comp: chem comp
chem comp atom.atom id: C6
chem comp atom.comp id: ZMR
chem comp atom.alt atom id: C6
chem comp atom.charge: 0
chem comp atom.model cartn x: 31.296
chem comp atom.model cartn y: 36.777
chem comp atom.model cartn z: -31.481
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C6
chem comp atom.pdbx component comp id: ZMR
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.860
chem comp atom.pdbx model cartn y ideal: -0.134
chem comp atom.pdbx model cartn z ideal: -0.377
chem comp atom.pdbx ordinal: 12
chem comp atom.pdbx stereo config: R
chem comp atom.type symbol: C

O6,ZMR
type: chem comp atom
of datablock: ZANAMIVIR
reference to chem comp: chem comp
chem comp atom.atom id: O6
chem comp atom.comp id: ZMR
chem comp atom.alt atom id: O6
chem comp atom.charge: 0
chem comp atom.model cartn x: 30.950
chem comp atom.model cartn y: 38.128
chem comp atom.model cartn z: -31.648
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O6
chem comp atom.pdbx component comp id: ZMR
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.068
chem comp atom.pdbx model cartn y ideal: 1.168
chem comp atom.pdbx model cartn z ideal: 0.176
chem comp atom.pdbx ordinal: 13
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

C7,ZMR
type: chem comp atom
of datablock: ZANAMIVIR
reference to chem comp: chem comp
chem comp atom.atom id: C7
chem comp atom.comp id: ZMR
chem comp atom.alt atom id: C7
chem comp atom.charge: 0
chem comp atom.model cartn x: 32.169
chem comp atom.model cartn y: 36.299
chem comp atom.model cartn z: -32.649
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: ZMR
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.977
chem comp atom.pdbx model cartn y ideal: -1.074
chem comp atom.pdbx model cartn z ideal: 0.081
chem comp atom.pdbx ordinal: 14
chem comp atom.pdbx stereo config: R
chem comp atom.type symbol: C

O7,ZMR
type: chem comp atom
of datablock: ZANAMIVIR
reference to chem comp: chem comp
chem comp atom.atom id: O7
chem comp atom.comp id: ZMR
chem comp atom.alt atom id: O7
chem comp atom.charge: 0
chem comp atom.model cartn x: 33.387
chem comp atom.model cartn y: 37.033
chem comp atom.model cartn z: -32.733
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O7
chem comp atom.pdbx component comp id: ZMR
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.913
chem comp atom.pdbx model cartn y ideal: -1.234
chem comp atom.pdbx model cartn z ideal: 1.499
chem comp atom.pdbx ordinal: 15
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

C8,ZMR
type: chem comp atom
of datablock: ZANAMIVIR
reference to chem comp: chem comp
chem comp atom.atom id: C8
chem comp atom.comp id: ZMR
chem comp atom.alt atom id: C8
chem comp atom.charge: 0
chem comp atom.model cartn x: 31.456
chem comp atom.model cartn y: 36.372
chem comp atom.model cartn z: -33.996
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: ZMR
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.333
chem comp atom.pdbx model cartn y ideal: -0.481
chem comp atom.pdbx model cartn z ideal: -0.305
chem comp atom.pdbx ordinal: 16
chem comp atom.pdbx stereo config: R
chem comp atom.type symbol: C

O8,ZMR
type: chem comp atom
of datablock: ZANAMIVIR
reference to chem comp: chem comp
chem comp atom.atom id: O8
chem comp atom.comp id: ZMR
chem comp atom.alt atom id: O8
chem comp atom.charge: 0
chem comp atom.model cartn x: 30.283
chem comp atom.model cartn y: 35.586
chem comp atom.model cartn z: -33.894
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O8
chem comp atom.pdbx component comp id: ZMR
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.397
chem comp atom.pdbx model cartn y ideal: -0.322
chem comp atom.pdbx model cartn z ideal: -1.724
chem comp atom.pdbx ordinal: 17
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

C9,ZMR
type: chem comp atom
of datablock: ZANAMIVIR
reference to chem comp: chem comp
chem comp atom.atom id: C9
chem comp atom.comp id: ZMR
chem comp atom.alt atom id: C9
chem comp atom.charge: 0
chem comp atom.model cartn x: 32.306
chem comp atom.model cartn y: 35.901
chem comp atom.model cartn z: -35.194
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: ZMR
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.450
chem comp atom.pdbx model cartn y ideal: -1.422
chem comp atom.pdbx model cartn z ideal: 0.153
chem comp atom.pdbx ordinal: 18
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

O9,ZMR
type: chem comp atom
of datablock: ZANAMIVIR
reference to chem comp: chem comp
chem comp atom.atom id: O9
chem comp atom.comp id: ZMR
chem comp atom.alt atom id: O9
chem comp atom.charge: 0
chem comp atom.model cartn x: 32.563
chem comp atom.model cartn y: 34.501
chem comp atom.model cartn z: -35.161
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O9
chem comp atom.pdbx component comp id: ZMR
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.719
chem comp atom.pdbx model cartn y ideal: -0.816
chem comp atom.pdbx model cartn z ideal: -0.103
chem comp atom.pdbx ordinal: 19
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

NE,ZMR
type: chem comp atom
of datablock: ZANAMIVIR
reference to chem comp: chem comp
chem comp atom.atom id: NE
chem comp atom.comp id: ZMR
chem comp atom.alt atom id: NE
chem comp atom.charge: 0
chem comp atom.model cartn x: 31.619
chem comp atom.model cartn y: 36.856
chem comp atom.model cartn z: -27.744
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: NE
chem comp atom.pdbx component comp id: ZMR
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.851
chem comp atom.pdbx model cartn y ideal: -0.019
chem comp atom.pdbx model cartn z ideal: 0.276
chem comp atom.pdbx ordinal: 20
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

CZ,ZMR
type: chem comp atom
of datablock: ZANAMIVIR
reference to chem comp: chem comp
chem comp atom.atom id: CZ
chem comp atom.comp id: ZMR
chem comp atom.alt atom id: CZ
chem comp atom.charge: 0
chem comp atom.model cartn x: 31.361
chem comp atom.model cartn y: 35.902
chem comp atom.model cartn z: -26.842
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: CZ
chem comp atom.pdbx component comp id: ZMR
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.050
chem comp atom.pdbx model cartn y ideal: 0.274
chem comp atom.pdbx model cartn z ideal: -0.329
chem comp atom.pdbx ordinal: 21
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

NH1,ZMR
type: chem comp atom
of datablock: ZANAMIVIR
reference to chem comp: chem comp
chem comp atom.atom id: NH1
chem comp atom.comp id: ZMR
chem comp atom.alt atom id: NH1
chem comp atom.charge: 0
chem comp atom.model cartn x: 30.272
chem comp atom.model cartn y: 35.153
chem comp atom.model cartn z: -26.966
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: NH1
chem comp atom.pdbx component comp id: ZMR
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.067
chem comp atom.pdbx model cartn y ideal: 0.806
chem comp atom.pdbx model cartn z ideal: -1.519
chem comp atom.pdbx ordinal: 22
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

NH2,ZMR
type: chem comp atom
of datablock: ZANAMIVIR
reference to chem comp: chem comp
chem comp atom.atom id: NH2
chem comp atom.comp id: ZMR
chem comp atom.alt atom id: NH2
chem comp atom.charge: 0
chem comp atom.model cartn x: 32.200
chem comp atom.model cartn y: 35.713
chem comp atom.model cartn z: -25.818
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: NH2
chem comp atom.pdbx component comp id: ZMR
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.232
chem comp atom.pdbx model cartn y ideal: 0.005
chem comp atom.pdbx model cartn z ideal: 0.320
chem comp atom.pdbx ordinal: 23
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

H3,ZMR
type: chem comp atom
of datablock: ZANAMIVIR
reference to chem comp: chem comp
chem comp atom.atom id: H3
chem comp atom.comp id: ZMR
chem comp atom.alt atom id: H3
chem comp atom.charge: 0
chem comp atom.model cartn x: 29.689
chem comp atom.model cartn y: 38.757
chem comp atom.model cartn z: -28.624
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: ZMR
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.962
chem comp atom.pdbx model cartn y ideal: 2.463
chem comp atom.pdbx model cartn z ideal: -0.218
chem comp atom.pdbx ordinal: 24
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H4,ZMR
type: chem comp atom
of datablock: ZANAMIVIR
reference to chem comp: chem comp
chem comp atom.atom id: H4
chem comp atom.comp id: ZMR
chem comp atom.alt atom id: H4
chem comp atom.charge: 0
chem comp atom.model cartn x: 30.171
chem comp atom.model cartn y: 36.182
chem comp atom.model cartn z: -29.043
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: ZMR
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.720
chem comp atom.pdbx model cartn y ideal: 0.102
chem comp atom.pdbx model cartn z ideal: -1.486
chem comp atom.pdbx ordinal: 25
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H5,ZMR
type: chem comp atom
of datablock: ZANAMIVIR
reference to chem comp: chem comp
chem comp atom.atom id: H5
chem comp atom.comp id: ZMR
chem comp atom.alt atom id: H5
chem comp atom.charge: 0
chem comp atom.model cartn x: 32.870
chem comp atom.model cartn y: 37.103
chem comp atom.model cartn z: -30.027
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: ZMR
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.513
chem comp atom.pdbx model cartn y ideal: -0.664
chem comp atom.pdbx model cartn z ideal: 1.206
chem comp atom.pdbx ordinal: 26
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

HN5,ZMR
type: chem comp atom
of datablock: ZANAMIVIR
reference to chem comp: chem comp
chem comp atom.atom id: HN5
chem comp atom.comp id: ZMR
chem comp atom.alt atom id: HN5
chem comp atom.charge: 0
chem comp atom.model cartn x: 31.316
chem comp atom.model cartn y: 34.525
chem comp atom.model cartn z: -30.012
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: HN5
chem comp atom.pdbx component comp id: ZMR
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.249
chem comp atom.pdbx model cartn y ideal: -2.319
chem comp atom.pdbx model cartn z ideal: -1.186
chem comp atom.pdbx ordinal: 27
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H111,ZMR
type: chem comp atom
of datablock: ZANAMIVIR
reference to chem comp: chem comp
chem comp atom.atom id: H111
chem comp atom.comp id: ZMR
chem comp atom.alt atom id: H111
chem comp atom.charge: 0
chem comp atom.model cartn x: 34.368
chem comp atom.model cartn y: 32.741
chem comp atom.model cartn z: -29.514
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H111
chem comp atom.pdbx component comp id: ZMR
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.169
chem comp atom.pdbx model cartn y ideal: -4.405
chem comp atom.pdbx model cartn z ideal: -1.154
chem comp atom.pdbx ordinal: 28
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H112,ZMR
type: chem comp atom
of datablock: ZANAMIVIR
reference to chem comp: chem comp
chem comp atom.atom id: H112
chem comp atom.comp id: ZMR
chem comp atom.alt atom id: H112
chem comp atom.charge: 0
chem comp atom.model cartn x: 32.673
chem comp atom.model cartn y: 32.620
chem comp atom.model cartn z: -28.930
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H112
chem comp atom.pdbx component comp id: ZMR
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.465
chem comp atom.pdbx model cartn y ideal: -4.972
chem comp atom.pdbx model cartn z ideal: 0.507
chem comp atom.pdbx ordinal: 29
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H113,ZMR
type: chem comp atom
of datablock: ZANAMIVIR
reference to chem comp: chem comp
chem comp atom.atom id: H113
chem comp atom.comp id: ZMR
chem comp atom.alt atom id: H113
chem comp atom.charge: 0
chem comp atom.model cartn x: 33.010
chem comp atom.model cartn y: 32.762
chem comp atom.model cartn z: -30.689
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H113
chem comp atom.pdbx component comp id: ZMR
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.820
chem comp atom.pdbx model cartn y ideal: -4.390
chem comp atom.pdbx model cartn z ideal: -0.489
chem comp atom.pdbx ordinal: 30
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H6,ZMR
type: chem comp atom
of datablock: ZANAMIVIR
reference to chem comp: chem comp
chem comp atom.atom id: H6
chem comp atom.comp id: ZMR
chem comp atom.alt atom id: H6
chem comp atom.charge: 0
chem comp atom.model cartn x: 30.373
chem comp atom.model cartn y: 36.179
chem comp atom.model cartn z: -31.511
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: ZMR
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.856
chem comp atom.pdbx model cartn y ideal: -0.070
chem comp atom.pdbx model cartn z ideal: -1.465
chem comp atom.pdbx ordinal: 31
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H7,ZMR
type: chem comp atom
of datablock: ZANAMIVIR
reference to chem comp: chem comp
chem comp atom.atom id: H7
chem comp atom.comp id: ZMR
chem comp atom.alt atom id: H7
chem comp atom.charge: 0
chem comp atom.model cartn x: 32.410
chem comp atom.model cartn y: 35.242
chem comp atom.model cartn z: -32.463
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: ZMR
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.854
chem comp atom.pdbx model cartn y ideal: -2.045
chem comp atom.pdbx model cartn z ideal: -0.400
chem comp atom.pdbx ordinal: 32
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

HO7,ZMR
type: chem comp atom
of datablock: ZANAMIVIR
reference to chem comp: chem comp
chem comp atom.atom id: HO7
chem comp atom.comp id: ZMR
chem comp atom.alt atom id: HO7
chem comp atom.charge: 0
chem comp atom.model cartn x: 33.901
chem comp atom.model cartn y: 36.712
chem comp atom.model cartn z: -33.465
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: HO7
chem comp atom.pdbx component comp id: ZMR
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.015
chem comp atom.pdbx model cartn y ideal: -0.409
chem comp atom.pdbx model cartn z ideal: 1.993
chem comp atom.pdbx ordinal: 33
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H8,ZMR
type: chem comp atom
of datablock: ZANAMIVIR
reference to chem comp: chem comp
chem comp atom.atom id: H8
chem comp atom.comp id: ZMR
chem comp atom.alt atom id: H8
chem comp atom.charge: 0
chem comp atom.model cartn x: 31.178
chem comp atom.model cartn y: 37.421
chem comp atom.model cartn z: -34.175
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: ZMR
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.456
chem comp atom.pdbx model cartn y ideal: 0.489
chem comp atom.pdbx model cartn z ideal: 0.176
chem comp atom.pdbx ordinal: 34
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

HO8,ZMR
type: chem comp atom
of datablock: ZANAMIVIR
reference to chem comp: chem comp
chem comp atom.atom id: HO8
chem comp atom.comp id: ZMR
chem comp atom.alt atom id: HO8
chem comp atom.charge: 0
chem comp atom.model cartn x: 29.813
chem comp atom.model cartn y: 35.609
chem comp atom.model cartn z: -34.719
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: HO8
chem comp atom.pdbx component comp id: ZMR
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.296
chem comp atom.pdbx model cartn y ideal: -1.147
chem comp atom.pdbx model cartn z ideal: -2.218
chem comp atom.pdbx ordinal: 35
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H91,ZMR
type: chem comp atom
of datablock: ZANAMIVIR
reference to chem comp: chem comp
chem comp atom.atom id: H91
chem comp atom.comp id: ZMR
chem comp atom.alt atom id: H91
chem comp atom.charge: 0
chem comp atom.model cartn x: 31.769
chem comp atom.model cartn y: 36.140
chem comp atom.model cartn z: -36.124
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H91
chem comp atom.pdbx component comp id: ZMR
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.348
chem comp atom.pdbx model cartn y ideal: -1.615
chem comp atom.pdbx model cartn z ideal: 1.221
chem comp atom.pdbx ordinal: 36
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H92,ZMR
type: chem comp atom
of datablock: ZANAMIVIR
reference to chem comp: chem comp
chem comp atom.atom id: H92
chem comp atom.comp id: ZMR
chem comp atom.alt atom id: H92
chem comp atom.charge: 0
chem comp atom.model cartn x: 33.267
chem comp atom.model cartn y: 36.437
chem comp atom.model cartn z: -35.178
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H92
chem comp atom.pdbx component comp id: ZMR
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.380
chem comp atom.pdbx model cartn y ideal: -2.362
chem comp atom.pdbx model cartn z ideal: -0.394
chem comp atom.pdbx ordinal: 37
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

HO9,ZMR
type: chem comp atom
of datablock: ZANAMIVIR
reference to chem comp: chem comp
chem comp atom.atom id: HO9
chem comp atom.comp id: ZMR
chem comp atom.alt atom id: HO9
chem comp atom.charge: 0
chem comp atom.model cartn x: 33.087
chem comp atom.model cartn y: 34.257
chem comp atom.model cartn z: -35.915
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: HO9
chem comp atom.pdbx component comp id: ZMR
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 6.474
chem comp atom.pdbx model cartn y ideal: -1.357
chem comp atom.pdbx model cartn z ideal: 0.163
chem comp atom.pdbx ordinal: 38
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

HNH1,ZMR
type: chem comp atom
of datablock: ZANAMIVIR
reference to chem comp: chem comp
chem comp atom.atom id: HNH1
chem comp atom.comp id: ZMR
chem comp atom.alt atom id: HNH1
chem comp atom.charge: 0
chem comp atom.model cartn x: 30.193
chem comp atom.model cartn y: 34.482
chem comp atom.model cartn z: -26.228
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: HNH1
chem comp atom.pdbx component comp id: ZMR
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.913
chem comp atom.pdbx model cartn y ideal: 1.013
chem comp atom.pdbx model cartn z ideal: -1.946
chem comp atom.pdbx ordinal: 39
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

HN21,ZMR
type: chem comp atom
of datablock: ZANAMIVIR
reference to chem comp: chem comp
chem comp atom.atom id: HN21
chem comp atom.comp id: ZMR
chem comp atom.alt atom id: HN21
chem comp atom.charge: 0
chem comp atom.model cartn x: 32.009
chem comp atom.model cartn y: 35.004
chem comp atom.model cartn z: -25.139
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: HN21
chem comp atom.pdbx component comp id: ZMR
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.219
chem comp atom.pdbx model cartn y ideal: -0.391
chem comp atom.pdbx model cartn z ideal: 1.206
chem comp atom.pdbx ordinal: 40
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

HN22,ZMR
type: chem comp atom
of datablock: ZANAMIVIR
reference to chem comp: chem comp
chem comp atom.atom id: HN22
chem comp atom.comp id: ZMR
chem comp atom.alt atom id: HN22
chem comp atom.charge: 0
chem comp atom.model cartn x: 33.018
chem comp atom.model cartn y: 36.281
chem comp atom.model cartn z: -25.731
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: HN22
chem comp atom.pdbx component comp id: ZMR
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.078
chem comp atom.pdbx model cartn y ideal: 0.212
chem comp atom.pdbx model cartn z ideal: -0.107
chem comp atom.pdbx ordinal: 41
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

HO1B,ZMR
type: chem comp atom
of datablock: ZANAMIVIR
reference to chem comp: chem comp
chem comp atom.atom id: HO1B
chem comp atom.comp id: ZMR
chem comp atom.alt atom id: HO1B
chem comp atom.charge: 0
chem comp atom.model cartn x: 28.558
chem comp atom.model cartn y: 41.323
chem comp atom.model cartn z: -30.444
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: HO1B
chem comp atom.pdbx component comp id: ZMR
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.739
chem comp atom.pdbx model cartn y ideal: 4.826
chem comp atom.pdbx model cartn z ideal: 0.729
chem comp atom.pdbx ordinal: 42
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

HNE,ZMR
type: chem comp atom
of datablock: ZANAMIVIR
reference to chem comp: chem comp
chem comp atom.atom id: HNE
chem comp atom.comp id: ZMR
chem comp atom.alt atom id: HNE
chem comp atom.charge: 0
chem comp atom.model cartn x: 32.311
chem comp atom.model cartn y: 37.541
chem comp atom.model cartn z: -27.517
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: HNE
chem comp atom.pdbx component comp id: ZMR
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.839
chem comp atom.pdbx model cartn y ideal: -0.415
chem comp atom.pdbx model cartn z ideal: 1.161
chem comp atom.pdbx ordinal: 43
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

C1,O1A,ZMR
type: chem comp bond
of datablock: ZANAMIVIR
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/ZMR/chem_comp_atom/,
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: O1A
chem comp bond.comp id: ZMR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 1
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C1,O1B,ZMR
type: chem comp bond
of datablock: ZANAMIVIR
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/ZMR/chem_comp_atom/,
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: O1B
chem comp bond.comp id: ZMR
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

C1,C2,ZMR
type: chem comp bond
of datablock: ZANAMIVIR
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/ZMR/chem_comp_atom/,
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: C2
chem comp bond.comp id: ZMR
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,ZMR
type: chem comp bond
of datablock: ZANAMIVIR
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/ZMR/chem_comp_atom/,
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: C3
chem comp bond.comp id: ZMR
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: doub

C2,O6,ZMR
type: chem comp bond
of datablock: ZANAMIVIR
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/ZMR/chem_comp_atom/,
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: O6
chem comp bond.comp id: ZMR
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

C3,C4,ZMR
type: chem comp bond
of datablock: ZANAMIVIR
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/ZMR/chem_comp_atom/,
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: C4
chem comp bond.comp id: ZMR
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

C3,H3,ZMR
type: chem comp bond
of datablock: ZANAMIVIR
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/ZMR/chem_comp_atom/,
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: H3
chem comp bond.comp id: ZMR
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

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

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

C4,H4,ZMR
type: chem comp bond
of datablock: ZANAMIVIR
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/ZMR/chem_comp_atom/,
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: H4
chem comp bond.comp id: ZMR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 10
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C5,N5,ZMR
type: chem comp bond
of datablock: ZANAMIVIR
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/ZMR/chem_comp_atom/,
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: N5
chem comp bond.comp id: ZMR
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

C5,C6,ZMR
type: chem comp bond
of datablock: ZANAMIVIR
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/ZMR/chem_comp_atom/,
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: C6
chem comp bond.comp id: ZMR
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

C5,H5,ZMR
type: chem comp bond
of datablock: ZANAMIVIR
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/ZMR/chem_comp_atom/,
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: H5
chem comp bond.comp id: ZMR
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

N5,C10,ZMR
type: chem comp bond
of datablock: ZANAMIVIR
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/ZMR/chem_comp_atom/,
chem comp bond.atom id 1: N5
chem comp bond.atom id 2: C10
chem comp bond.comp id: ZMR
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

N5,HN5,ZMR
type: chem comp bond
of datablock: ZANAMIVIR
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/ZMR/chem_comp_atom/,
chem comp bond.atom id 1: N5
chem comp bond.atom id 2: HN5
chem comp bond.comp id: ZMR
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

C10,O10,ZMR
type: chem comp bond
of datablock: ZANAMIVIR
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/ZMR/chem_comp_atom/,
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: O10
chem comp bond.comp id: ZMR
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: doub

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

C11,H111,ZMR
type: chem comp bond
of datablock: ZANAMIVIR
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/ZMR/chem_comp_atom/,
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: H111
chem comp bond.comp id: ZMR
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

C11,H112,ZMR
type: chem comp bond
of datablock: ZANAMIVIR
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/ZMR/chem_comp_atom/,
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: H112
chem comp bond.comp id: ZMR
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

C11,H113,ZMR
type: chem comp bond
of datablock: ZANAMIVIR
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/ZMR/chem_comp_atom/,
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: H113
chem comp bond.comp id: ZMR
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

C6,O6,ZMR
type: chem comp bond
of datablock: ZANAMIVIR
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/ZMR/chem_comp_atom/,
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: O6
chem comp bond.comp id: ZMR
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

C6,C7,ZMR
type: chem comp bond
of datablock: ZANAMIVIR
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/ZMR/chem_comp_atom/,
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: C7
chem comp bond.comp id: ZMR
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

C6,H6,ZMR
type: chem comp bond
of datablock: ZANAMIVIR
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/ZMR/chem_comp_atom/,
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H6
chem comp bond.comp id: ZMR
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

C7,O7,ZMR
type: chem comp bond
of datablock: ZANAMIVIR
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/ZMR/chem_comp_atom/,
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: O7
chem comp bond.comp id: ZMR
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

C7,C8,ZMR
type: chem comp bond
of datablock: ZANAMIVIR
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/ZMR/chem_comp_atom/,
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: C8
chem comp bond.comp id: ZMR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 25
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C7,H7,ZMR
type: chem comp bond
of datablock: ZANAMIVIR
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/ZMR/chem_comp_atom/,
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: H7
chem comp bond.comp id: ZMR
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

O7,HO7,ZMR
type: chem comp bond
of datablock: ZANAMIVIR
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/ZMR/chem_comp_atom/,
chem comp bond.atom id 1: O7
chem comp bond.atom id 2: HO7
chem comp bond.comp id: ZMR
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

C8,O8,ZMR
type: chem comp bond
of datablock: ZANAMIVIR
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/ZMR/chem_comp_atom/,
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: O8
chem comp bond.comp id: ZMR
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

C8,C9,ZMR
type: chem comp bond
of datablock: ZANAMIVIR
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/ZMR/chem_comp_atom/,
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: C9
chem comp bond.comp id: ZMR
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

C8,H8,ZMR
type: chem comp bond
of datablock: ZANAMIVIR
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/ZMR/chem_comp_atom/,
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: H8
chem comp bond.comp id: ZMR
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

O8,HO8,ZMR
type: chem comp bond
of datablock: ZANAMIVIR
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/ZMR/chem_comp_atom/,
chem comp bond.atom id 1: O8
chem comp bond.atom id 2: HO8
chem comp bond.comp id: ZMR
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

C9,O9,ZMR
type: chem comp bond
of datablock: ZANAMIVIR
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/ZMR/chem_comp_atom/,
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: O9
chem comp bond.comp id: ZMR
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

C9,H91,ZMR
type: chem comp bond
of datablock: ZANAMIVIR
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/ZMR/chem_comp_atom/,
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: H91
chem comp bond.comp id: ZMR
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

C9,H92,ZMR
type: chem comp bond
of datablock: ZANAMIVIR
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/ZMR/chem_comp_atom/,
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: H92
chem comp bond.comp id: ZMR
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

O9,HO9,ZMR
type: chem comp bond
of datablock: ZANAMIVIR
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/ZMR/chem_comp_atom/,
chem comp bond.atom id 1: O9
chem comp bond.atom id 2: HO9
chem comp bond.comp id: ZMR
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

NE,CZ,ZMR
type: chem comp bond
of datablock: ZANAMIVIR
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/ZMR/chem_comp_atom/,
chem comp bond.atom id 1: NE
chem comp bond.atom id 2: CZ
chem comp bond.comp id: ZMR
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

CZ,NH1,ZMR
type: chem comp bond
of datablock: ZANAMIVIR
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/ZMR/chem_comp_atom/,
chem comp bond.atom id 1: CZ
chem comp bond.atom id 2: NH1
chem comp bond.comp id: ZMR
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: doub

CZ,NH2,ZMR
type: chem comp bond
of datablock: ZANAMIVIR
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/ZMR/chem_comp_atom/,
chem comp bond.atom id 1: CZ
chem comp bond.atom id 2: NH2
chem comp bond.comp id: ZMR
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

NH1,HNH1,ZMR
type: chem comp bond
of datablock: ZANAMIVIR
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/ZMR/chem_comp_atom/,
chem comp bond.atom id 1: NH1
chem comp bond.atom id 2: HNH1
chem comp bond.comp id: ZMR
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

NH2,HN21,ZMR
type: chem comp bond
of datablock: ZANAMIVIR
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/ZMR/chem_comp_atom/,
chem comp bond.atom id 1: NH2
chem comp bond.atom id 2: HN21
chem comp bond.comp id: ZMR
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

NH2,HN22,ZMR
type: chem comp bond
of datablock: ZANAMIVIR
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/ZMR/chem_comp_atom/,
chem comp bond.atom id 1: NH2
chem comp bond.atom id 2: HN22
chem comp bond.comp id: ZMR
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

O1B,HO1B,ZMR
type: chem comp bond
of datablock: ZANAMIVIR
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/ZMR/chem_comp_atom/,
chem comp bond.atom id 1: O1B
chem comp bond.atom id 2: HO1B
chem comp bond.comp id: ZMR
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

NE,HNE,ZMR
type: chem comp bond
of datablock: ZANAMIVIR
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/ZMR/chem_comp_atom/,
chem comp bond.atom id 1: NE
chem comp bond.atom id 2: HNE
chem comp bond.comp id: ZMR
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

Create component,ZMR,1999-07-08
type: pdbx chem comp audit
of datablock: ZANAMIVIR
reference to chem comp: chem comp
pdbx chem comp audit.action type: Create component
pdbx chem comp audit.comp id: ZMR
pdbx chem comp audit.date: 1999-07-08
pdbx chem comp audit.processing site: RCSB

Modify descriptor,ZMR,2011-06-04
type: pdbx chem comp audit
of datablock: ZANAMIVIR
reference to chem comp: chem comp
pdbx chem comp audit.action type: Modify descriptor
pdbx chem comp audit.comp id: ZMR
pdbx chem comp audit.date: 2011-06-04
pdbx chem comp audit.processing site: RCSB

Other modification,ZMR,2020-04-10
type: pdbx chem comp audit
of datablock: ZANAMIVIR
reference to chem comp: chem comp
pdbx chem comp audit.action type: Other modification
pdbx chem comp audit.comp id: ZMR
pdbx chem comp audit.date: 2020-04-10
pdbx chem comp audit.processing site: RCSB

Other modification,ZMR,2020-07-03
type: pdbx chem comp audit
of datablock: ZANAMIVIR
reference to chem comp: chem comp
pdbx chem comp audit.action type: Other modification
pdbx chem comp audit.comp id: ZMR
pdbx chem comp audit.date: 2020-07-03
pdbx chem comp audit.processing site: RCSB

Modify synonyms,ZMR,2020-07-17
type: pdbx chem comp audit
of datablock: ZANAMIVIR
reference to chem comp: chem comp
pdbx chem comp audit.action type: Modify synonyms
pdbx chem comp audit.comp id: ZMR
pdbx chem comp audit.date: 2020-07-17
pdbx chem comp audit.processing site: RCSB

Modify component atom id,ZMR,2020-07-17
type: pdbx chem comp audit
of datablock: ZANAMIVIR
reference to chem comp: chem comp
pdbx chem comp audit.action type: Modify component atom id
pdbx chem comp audit.comp id: ZMR
pdbx chem comp audit.date: 2020-07-17
pdbx chem comp audit.processing site: RCSB

ZMR,ACDLabs,12.01,SMILES
type: pdbx chem comp descriptor
of datablock: ZANAMIVIR
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: ZMR
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: C(=O)(O)C1=CC(C(NC(=O)C)C(O1)C(O)C(O)CO)N\C(=N)N

ZMR,InChI,1.03,InChI
type: pdbx chem comp descriptor
of datablock: ZANAMIVIR
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: ZMR
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/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1

ZMR,InChI,1.03,InChIKey
type: pdbx chem comp descriptor
of datablock: ZANAMIVIR
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: ZMR
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: ARAIBEBZBOPLMB-UFGQHTETSA-N

ZMR,CACTVS,3.385,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: ZANAMIVIR
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: ZMR
pdbx chem comp descriptor.program: CACTVS
pdbx chem comp descriptor.program version: 3.385
pdbx chem comp descriptor.type: SMILES_CANONICAL
pdbx chem comp descriptor.descriptor: CC(=O)N[C@@H]1[C@@H](NC(N)=N)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O

ZMR,CACTVS,3.385,SMILES
type: pdbx chem comp descriptor
of datablock: ZANAMIVIR
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: ZMR
pdbx chem comp descriptor.program: CACTVS
pdbx chem comp descriptor.program version: 3.385
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: CC(=O)N[CH]1[CH](NC(N)=N)C=C(O[CH]1[CH](O)[CH](O)CO)C(O)=O

ZMR,OpenEye OEToolkits,2.0.7,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: ZANAMIVIR
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: ZMR
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: [H]/N=C(\N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O

ZMR,OpenEye OEToolkits,2.0.7,SMILES
type: pdbx chem comp descriptor
of datablock: ZANAMIVIR
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: ZMR
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: CC(=O)NC1C(C=C(OC1C(C(CO)O)O)C(=O)O)NC(=N)N

ZMR,PDB,CARBOHYDRATE ISOMER,D
type: pdbx chem comp feature
of datablock: ZANAMIVIR
reference to chem comp: chem comp
pdbx chem comp feature.comp id: ZMR
pdbx chem comp feature.source: PDB
pdbx chem comp feature.type: CARBOHYDRATE ISOMER
pdbx chem comp feature.value: D

ZMR,PDB,CARBOHYDRATE RING,dihydropyran
type: pdbx chem comp feature
of datablock: ZANAMIVIR
reference to chem comp: chem comp
pdbx chem comp feature.comp id: ZMR
pdbx chem comp feature.source: PDB
pdbx chem comp feature.type: CARBOHYDRATE RING
pdbx chem comp feature.value: dihydropyran

ZMR,PDB,CARBOHYDRATE PRIMARY CARBONYL GROUP,ketose
type: pdbx chem comp feature
of datablock: ZANAMIVIR
reference to chem comp: chem comp
pdbx chem comp feature.comp id: ZMR
pdbx chem comp feature.source: PDB
pdbx chem comp feature.type: CARBOHYDRATE PRIMARY CARBONYL GROUP
pdbx chem comp feature.value: ketose

ZMR,ACDLabs,12.01,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: ZANAMIVIR
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: ZMR
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: 5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-D-glycero-D-galacto-non-2-enonic acid

ZMR,OpenEye OEToolkits,2.0.7,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: ZANAMIVIR
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: ZMR
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: (2~{R},3~{R},4~{S})-3-acetamido-4-carbamimidamido-2-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]-3,4-dihydro-2~{H}-pyran- 6-carboxylic acid

ZMR,1
type: pdbx chem comp synonyms
of datablock: ZANAMIVIR
reference to chem comp: chem comp
pdbx chem comp synonyms.comp id: ZMR
pdbx chem comp synonyms.ordinal: 1
pdbx chem comp synonyms.name: 4-GUANIDINO-2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID
pdbx chem comp synonyms.provenance: PDB

ZMR,2
type: pdbx chem comp synonyms
of datablock: ZANAMIVIR
reference to chem comp: chem comp
pdbx chem comp synonyms.comp id: ZMR
pdbx chem comp synonyms.ordinal: 2
pdbx chem comp synonyms.name: 4-guanidino-Neu5Ac2en
pdbx chem comp synonyms.provenance: PDB

ZMR,3
type: pdbx chem comp synonyms
of datablock: ZANAMIVIR
reference to chem comp: chem comp
pdbx chem comp synonyms.comp id: ZMR
pdbx chem comp synonyms.ordinal: 3
pdbx chem comp synonyms.name: MODIFIED SIALIC ACID
pdbx chem comp synonyms.provenance: PDB