(5beta)-12-methoxyibogamine
type: datablock
datablock name: HJM
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

HJM
type: chem comp
of datablock: (5beta)-12-methoxyibogamine
chem comp.id: HJM
chem comp.formula: C20 H26 N2 O
chem comp.formula weight: 310.433
chem comp.name: (5beta)-12-methoxyibogamine
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: 2018-07-06
chem comp.pdbx model coordinates db code: 6DZV
chem comp.pdbx model coordinates missing flag: N
chem comp.pdbx modified date: 2019-04-19
chem comp.pdbx processing site: RCSB
chem comp.pdbx release status: REL
chem comp.pdbx type: HETAIN
chem comp.three letter code: HJM
chem comp.type: non-polymer

N1,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: N1
chem comp atom.comp id: HJM
chem comp atom.alt atom id: N1
chem comp atom.charge: 0
chem comp atom.model cartn x: 144.353
chem comp atom.model cartn y: 148.874
chem comp atom.model cartn z: 158.989
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: N1
chem comp atom.pdbx component comp id: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.253
chem comp atom.pdbx model cartn y ideal: -1.231
chem comp atom.pdbx model cartn z ideal: 0.075
chem comp atom.pdbx ordinal: 1
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: N

C1,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: C1
chem comp atom.comp id: HJM
chem comp atom.alt atom id: C1
chem comp atom.charge: 0
chem comp atom.model cartn x: 143.443
chem comp atom.model cartn y: 149.238
chem comp atom.model cartn z: 160.108
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: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.392
chem comp atom.pdbx model cartn y ideal: 0.068
chem comp atom.pdbx model cartn z ideal: 0.686
chem comp atom.pdbx ordinal: 2
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C

N2,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: N2
chem comp atom.comp id: HJM
chem comp atom.alt atom id: N2
chem comp atom.charge: 0
chem comp atom.model cartn x: 141.736
chem comp atom.model cartn y: 152.539
chem comp atom.model cartn z: 159.209
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: N2
chem comp atom.pdbx component comp id: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.928
chem comp atom.pdbx model cartn y ideal: 1.758
chem comp atom.pdbx model cartn z ideal: 0.281
chem comp atom.pdbx ordinal: 3
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

C2,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: C2
chem comp atom.comp id: HJM
chem comp atom.alt atom id: C2
chem comp atom.charge: 0
chem comp atom.model cartn x: 143.265
chem comp atom.model cartn y: 150.754
chem comp atom.model cartn z: 160.218
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: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.466
chem comp atom.pdbx model cartn y ideal: 1.093
chem comp atom.pdbx model cartn z ideal: 0.066
chem comp atom.pdbx ordinal: 4
chem comp atom.pdbx stereo config: R
chem comp atom.type symbol: C

C3,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: C3
chem comp atom.comp id: HJM
chem comp atom.alt atom id: C3
chem comp atom.charge: 0
chem comp atom.model cartn x: 145.699
chem comp atom.model cartn y: 150.426
chem comp atom.model cartn z: 160.480
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: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.921
chem comp atom.pdbx model cartn y ideal: 0.227
chem comp atom.pdbx model cartn z ideal: -1.764
chem comp atom.pdbx ordinal: 5
chem comp atom.pdbx stereo config: R
chem comp atom.type symbol: C

O,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: O
chem comp atom.comp id: HJM
chem comp atom.alt atom id: O1
chem comp atom.charge: 0
chem comp atom.model cartn x: 138.209
chem comp atom.model cartn y: 151.953
chem comp atom.model cartn z: 154.938
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: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.550
chem comp atom.pdbx model cartn y ideal: -1.111
chem comp atom.pdbx model cartn z ideal: -0.025
chem comp atom.pdbx ordinal: 6
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

C10,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: C10
chem comp atom.comp id: HJM
chem comp atom.alt atom id: C4
chem comp atom.charge: 0
chem comp atom.model cartn x: 144.329
chem comp atom.model cartn y: 147.241
chem comp atom.model cartn z: 161.366
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: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.781
chem comp atom.pdbx model cartn y ideal: -0.428
chem comp atom.pdbx model cartn z ideal: 1.273
chem comp atom.pdbx ordinal: 7
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C11,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: C11
chem comp atom.comp id: HJM
chem comp atom.alt atom id: C5
chem comp atom.charge: 0
chem comp atom.model cartn x: 141.850
chem comp atom.model cartn y: 150.612
chem comp atom.model cartn z: 157.954
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C11
chem comp atom.pdbx component comp id: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.631
chem comp atom.pdbx model cartn y ideal: -0.414
chem comp atom.pdbx model cartn z ideal: -0.039
chem comp atom.pdbx ordinal: 8
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C12,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: C12
chem comp atom.comp id: HJM
chem comp atom.alt atom id: C6
chem comp atom.charge: 0
chem comp atom.model cartn x: 142.353
chem comp atom.model cartn y: 149.330
chem comp atom.model cartn z: 157.372
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C12
chem comp atom.pdbx component comp id: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.120
chem comp atom.pdbx model cartn y ideal: -1.829
chem comp atom.pdbx model cartn z ideal: -0.230
chem comp atom.pdbx ordinal: 9
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C13,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: C13
chem comp atom.comp id: HJM
chem comp atom.alt atom id: C7
chem comp atom.charge: 0
chem comp atom.model cartn x: 140.888
chem comp atom.model cartn y: 151.487
chem comp atom.model cartn z: 157.398
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C13
chem comp atom.pdbx component comp id: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.068
chem comp atom.pdbx model cartn y ideal: -0.132
chem comp atom.pdbx model cartn z ideal: 0.033
chem comp atom.pdbx ordinal: 10
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C14,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: C14
chem comp atom.comp id: HJM
chem comp atom.alt atom id: C8
chem comp atom.charge: 0
chem comp atom.model cartn x: 143.131
chem comp atom.model cartn y: 146.326
chem comp atom.model cartn z: 161.713
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C14
chem comp atom.pdbx component comp id: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 6.214
chem comp atom.pdbx model cartn y ideal: 0.106
chem comp atom.pdbx model cartn z ideal: 1.221
chem comp atom.pdbx ordinal: 11
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C15,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: C15
chem comp atom.comp id: HJM
chem comp atom.alt atom id: C9
chem comp atom.charge: 0
chem comp atom.model cartn x: 140.808
chem comp atom.model cartn y: 152.685
chem comp atom.model cartn z: 158.211
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C15
chem comp atom.pdbx component comp id: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.191
chem comp atom.pdbx model cartn y ideal: 1.259
chem comp atom.pdbx model cartn z ideal: 0.239
chem comp atom.pdbx ordinal: 12
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C16,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: C16
chem comp atom.comp id: HJM
chem comp atom.alt atom id: C10
chem comp atom.charge: 0
chem comp atom.model cartn x: 140.012
chem comp atom.model cartn y: 151.280
chem comp atom.model cartn z: 156.315
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C16
chem comp atom.pdbx component comp id: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.186
chem comp atom.pdbx model cartn y ideal: -0.965
chem comp atom.pdbx model cartn z ideal: -0.062
chem comp atom.pdbx ordinal: 13
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C17,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: C17
chem comp atom.comp id: HJM
chem comp atom.alt atom id: C11
chem comp atom.charge: 0
chem comp atom.model cartn x: 139.916
chem comp atom.model cartn y: 153.657
chem comp atom.model cartn z: 157.899
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C17
chem comp atom.pdbx component comp id: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.447
chem comp atom.pdbx model cartn y ideal: 1.853
chem comp atom.pdbx model cartn z ideal: 0.357
chem comp atom.pdbx ordinal: 14
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C18,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: C18
chem comp atom.comp id: HJM
chem comp atom.alt atom id: C12
chem comp atom.charge: 0
chem comp atom.model cartn x: 139.109
chem comp atom.model cartn y: 152.254
chem comp atom.model cartn z: 155.987
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C18
chem comp atom.pdbx component comp id: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.425
chem comp atom.pdbx model cartn y ideal: -0.352
chem comp atom.pdbx model cartn z ideal: 0.059
chem comp atom.pdbx ordinal: 15
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C19,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: C19
chem comp atom.comp id: HJM
chem comp atom.alt atom id: C13
chem comp atom.charge: 0
chem comp atom.model cartn x: 139.051
chem comp atom.model cartn y: 153.401
chem comp atom.model cartn z: 156.783
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C19
chem comp atom.pdbx component comp id: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.546
chem comp atom.pdbx model cartn y ideal: 1.018
chem comp atom.pdbx model cartn z ideal: 0.263
chem comp atom.pdbx ordinal: 16
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C20,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: C20
chem comp atom.comp id: HJM
chem comp atom.alt atom id: C14
chem comp atom.charge: 0
chem comp atom.model cartn x: 137.228
chem comp atom.model cartn y: 152.956
chem comp atom.model cartn z: 154.656
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C20
chem comp atom.pdbx component comp id: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.802
chem comp atom.pdbx model cartn y ideal: -0.433
chem comp atom.pdbx model cartn z ideal: 0.105
chem comp atom.pdbx ordinal: 17
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C4,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: C4
chem comp atom.comp id: HJM
chem comp atom.alt atom id: C15
chem comp atom.charge: 0
chem comp atom.model cartn x: 144.119
chem comp atom.model cartn y: 148.793
chem comp atom.model cartn z: 161.437
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: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.851
chem comp atom.pdbx model cartn y ideal: 0.533
chem comp atom.pdbx model cartn z ideal: 0.531
chem comp atom.pdbx ordinal: 18
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C

C5,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: C5
chem comp atom.comp id: HJM
chem comp atom.alt atom id: C16
chem comp atom.charge: 0
chem comp atom.model cartn x: 144.633
chem comp atom.model cartn y: 151.502
chem comp atom.model cartn z: 160.283
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: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.857
chem comp atom.pdbx model cartn y ideal: 1.276
chem comp atom.pdbx model cartn z ideal: -1.414
chem comp atom.pdbx ordinal: 19
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C6,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: C6
chem comp atom.comp id: HJM
chem comp atom.alt atom id: C17
chem comp atom.charge: 0
chem comp atom.model cartn x: 145.372
chem comp atom.model cartn y: 149.678
chem comp atom.model cartn z: 161.745
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: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.190
chem comp atom.pdbx model cartn y ideal: 0.533
chem comp atom.pdbx model cartn z ideal: -0.964
chem comp atom.pdbx ordinal: 20
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C7,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: C7
chem comp atom.comp id: HJM
chem comp atom.alt atom id: C18
chem comp atom.charge: 0
chem comp atom.model cartn x: 145.659
chem comp atom.model cartn y: 149.468
chem comp atom.model cartn z: 159.283
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: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.387
chem comp atom.pdbx model cartn y ideal: -1.161
chem comp atom.pdbx model cartn z ideal: -1.384
chem comp atom.pdbx ordinal: 21
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C8,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: C8
chem comp atom.comp id: HJM
chem comp atom.alt atom id: C19
chem comp atom.charge: 0
chem comp atom.model cartn x: 142.304
chem comp atom.model cartn y: 151.255
chem comp atom.model cartn z: 159.145
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: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.005
chem comp atom.pdbx model cartn y ideal: 0.735
chem comp atom.pdbx model cartn z ideal: 0.100
chem comp atom.pdbx ordinal: 22
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C9,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: C9
chem comp atom.comp id: HJM
chem comp atom.alt atom id: C20
chem comp atom.charge: 0
chem comp atom.model cartn x: 143.880
chem comp atom.model cartn y: 148.994
chem comp atom.model cartn z: 157.593
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: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.157
chem comp atom.pdbx model cartn y ideal: -2.031
chem comp atom.pdbx model cartn z ideal: 0.547
chem comp atom.pdbx ordinal: 23
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

H2,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: H2
chem comp atom.comp id: HJM
chem comp atom.alt atom id: H2
chem comp atom.charge: 0
chem comp atom.model cartn x: 142.466
chem comp atom.model cartn y: 148.744
chem comp atom.model cartn z: 159.998
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: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.168
chem comp atom.pdbx model cartn y ideal: -0.015
chem comp atom.pdbx model cartn z ideal: 1.749
chem comp atom.pdbx ordinal: 24
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H3,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: H3
chem comp atom.comp id: HJM
chem comp atom.alt atom id: H3
chem comp atom.charge: 0
chem comp atom.model cartn x: 141.973
chem comp atom.model cartn y: 153.240
chem comp atom.model cartn z: 159.881
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: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.706
chem comp atom.pdbx model cartn y ideal: 2.693
chem comp atom.pdbx model cartn z ideal: 0.417
chem comp atom.pdbx ordinal: 25
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H4,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: H4
chem comp atom.comp id: HJM
chem comp atom.alt atom id: H4
chem comp atom.charge: 0
chem comp atom.model cartn x: 142.773
chem comp atom.model cartn y: 150.938
chem comp atom.model cartn z: 161.185
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: HJM
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: 2.044
chem comp atom.pdbx model cartn z ideal: 0.584
chem comp atom.pdbx ordinal: 26
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H5,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: H5
chem comp atom.comp id: HJM
chem comp atom.alt atom id: H5
chem comp atom.charge: 0
chem comp atom.model cartn x: 146.693
chem comp atom.model cartn y: 150.890
chem comp atom.model cartn z: 160.556
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: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.140
chem comp atom.pdbx model cartn y ideal: 0.269
chem comp atom.pdbx model cartn z ideal: -2.831
chem comp atom.pdbx ordinal: 27
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H6,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: H6
chem comp atom.comp id: HJM
chem comp atom.alt atom id: H6
chem comp atom.charge: 0
chem comp atom.model cartn x: 144.637
chem comp atom.model cartn y: 147.000
chem comp atom.model cartn z: 160.338
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: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.742
chem comp atom.pdbx model cartn y ideal: -1.410
chem comp atom.pdbx model cartn z ideal: 0.801
chem comp atom.pdbx ordinal: 28
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H7,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: H7
chem comp atom.comp id: HJM
chem comp atom.alt atom id: H7
chem comp atom.charge: 0
chem comp atom.model cartn x: 145.144
chem comp atom.model cartn y: 146.990
chem comp atom.model cartn z: 162.061
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: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.463
chem comp atom.pdbx model cartn y ideal: -0.513
chem comp atom.pdbx model cartn z ideal: 2.312
chem comp atom.pdbx ordinal: 29
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H8,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: H8
chem comp atom.comp id: HJM
chem comp atom.alt atom id: H8
chem comp atom.charge: 0
chem comp atom.model cartn x: 142.174
chem comp atom.model cartn y: 149.365
chem comp atom.model cartn z: 156.287
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: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.873
chem comp atom.pdbx model cartn y ideal: -2.534
chem comp atom.pdbx model cartn z ideal: 0.122
chem comp atom.pdbx ordinal: 30
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H9,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: H9
chem comp atom.comp id: HJM
chem comp atom.alt atom id: H9
chem comp atom.charge: 0
chem comp atom.model cartn x: 141.766
chem comp atom.model cartn y: 148.512
chem comp atom.model cartn z: 157.814
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H9
chem comp atom.pdbx component comp id: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.069
chem comp atom.pdbx model cartn y ideal: -2.005
chem comp atom.pdbx model cartn z ideal: -1.289
chem comp atom.pdbx ordinal: 31
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H10,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: H10
chem comp atom.comp id: HJM
chem comp atom.alt atom id: H10
chem comp atom.charge: 0
chem comp atom.model cartn x: 143.434
chem comp atom.model cartn y: 145.273
chem comp atom.model cartn z: 161.618
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H10
chem comp atom.pdbx component comp id: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 6.877
chem comp atom.pdbx model cartn y ideal: -0.579
chem comp atom.pdbx model cartn z ideal: 1.750
chem comp atom.pdbx ordinal: 32
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H11,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: H11
chem comp atom.comp id: HJM
chem comp atom.alt atom id: H11
chem comp atom.charge: 0
chem comp atom.model cartn x: 142.807
chem comp atom.model cartn y: 146.522
chem comp atom.model cartn z: 162.746
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H11
chem comp atom.pdbx component comp id: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 6.532
chem comp atom.pdbx model cartn y ideal: 0.190
chem comp atom.pdbx model cartn z ideal: 0.182
chem comp atom.pdbx ordinal: 33
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H12,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: H12
chem comp atom.comp id: HJM
chem comp atom.alt atom id: H12
chem comp atom.charge: 0
chem comp atom.model cartn x: 142.300
chem comp atom.model cartn y: 146.532
chem comp atom.model cartn z: 161.022
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H12
chem comp atom.pdbx component comp id: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 6.253
chem comp atom.pdbx model cartn y ideal: 1.087
chem comp atom.pdbx model cartn z ideal: 1.693
chem comp atom.pdbx ordinal: 34
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H13,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: H13
chem comp atom.comp id: HJM
chem comp atom.alt atom id: H13
chem comp atom.charge: 0
chem comp atom.model cartn x: 140.053
chem comp atom.model cartn y: 150.361
chem comp atom.model cartn z: 155.749
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H13
chem comp atom.pdbx component comp id: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.090
chem comp atom.pdbx model cartn y ideal: -2.029
chem comp atom.pdbx model cartn z ideal: -0.221
chem comp atom.pdbx ordinal: 35
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H14,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: H14
chem comp atom.comp id: HJM
chem comp atom.alt atom id: H14
chem comp atom.charge: 0
chem comp atom.model cartn x: 139.859
chem comp atom.model cartn y: 154.577
chem comp atom.model cartn z: 158.462
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H14
chem comp atom.pdbx component comp id: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.557
chem comp atom.pdbx model cartn y ideal: 2.915
chem comp atom.pdbx model cartn z ideal: 0.516
chem comp atom.pdbx ordinal: 36
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H15,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: H15
chem comp atom.comp id: HJM
chem comp atom.alt atom id: H15
chem comp atom.charge: 0
chem comp atom.model cartn x: 138.305
chem comp atom.model cartn y: 154.144
chem comp atom.model cartn z: 156.542
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H15
chem comp atom.pdbx component comp id: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.534
chem comp atom.pdbx model cartn y ideal: 1.446
chem comp atom.pdbx model cartn z ideal: 0.351
chem comp atom.pdbx ordinal: 37
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H16,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: H16
chem comp atom.comp id: HJM
chem comp atom.alt atom id: H16
chem comp atom.charge: 0
chem comp atom.model cartn x: 136.586
chem comp atom.model cartn y: 152.619
chem comp atom.model cartn z: 153.829
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H16
chem comp atom.pdbx component comp id: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -7.616
chem comp atom.pdbx model cartn y ideal: -1.152
chem comp atom.pdbx model cartn z ideal: 0.019
chem comp atom.pdbx ordinal: 38
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H17,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: H17
chem comp atom.comp id: HJM
chem comp atom.alt atom id: H17
chem comp atom.charge: 0
chem comp atom.model cartn x: 136.612
chem comp atom.model cartn y: 153.128
chem comp atom.model cartn z: 155.551
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H17
chem comp atom.pdbx component comp id: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.850
chem comp atom.pdbx model cartn y ideal: 0.056
chem comp atom.pdbx model cartn z ideal: 1.078
chem comp atom.pdbx ordinal: 39
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H18,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: H18
chem comp atom.comp id: HJM
chem comp atom.alt atom id: H18
chem comp atom.charge: 0
chem comp atom.model cartn x: 137.732
chem comp atom.model cartn y: 153.892
chem comp atom.model cartn z: 154.372
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H18
chem comp atom.pdbx component comp id: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.893
chem comp atom.pdbx model cartn y ideal: 0.315
chem comp atom.pdbx model cartn z ideal: -0.683
chem comp atom.pdbx ordinal: 40
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H19,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: H19
chem comp atom.comp id: HJM
chem comp atom.alt atom id: H19
chem comp atom.charge: 0
chem comp atom.model cartn x: 143.393
chem comp atom.model cartn y: 148.978
chem comp atom.model cartn z: 162.242
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H19
chem comp atom.pdbx component comp id: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.962
chem comp atom.pdbx model cartn y ideal: 1.539
chem comp atom.pdbx model cartn z ideal: 0.935
chem comp atom.pdbx ordinal: 41
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H20,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: H20
chem comp atom.comp id: HJM
chem comp atom.alt atom id: H20
chem comp atom.charge: 0
chem comp atom.model cartn x: 144.813
chem comp atom.model cartn y: 152.050
chem comp atom.model cartn z: 159.346
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H20
chem comp atom.pdbx component comp id: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.980
chem comp atom.pdbx model cartn y ideal: 1.135
chem comp atom.pdbx model cartn z ideal: -2.046
chem comp atom.pdbx ordinal: 42
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H21,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: H21
chem comp atom.comp id: HJM
chem comp atom.alt atom id: H21
chem comp atom.charge: 0
chem comp atom.model cartn x: 144.642
chem comp atom.model cartn y: 152.207
chem comp atom.model cartn z: 161.127
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H21
chem comp atom.pdbx component comp id: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.263
chem comp atom.pdbx model cartn y ideal: 2.276
chem comp atom.pdbx model cartn z ideal: -1.566
chem comp atom.pdbx ordinal: 43
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H22,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: H22
chem comp atom.comp id: HJM
chem comp atom.alt atom id: H22
chem comp atom.charge: 0
chem comp atom.model cartn x: 146.221
chem comp atom.model cartn y: 149.043
chem comp atom.model cartn z: 162.039
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H22
chem comp atom.pdbx component comp id: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.942
chem comp atom.pdbx model cartn y ideal: -0.230
chem comp atom.pdbx model cartn z ideal: -1.167
chem comp atom.pdbx ordinal: 44
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H23,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: H23
chem comp atom.comp id: HJM
chem comp atom.alt atom id: H23
chem comp atom.charge: 0
chem comp atom.model cartn x: 145.145
chem comp atom.model cartn y: 150.386
chem comp atom.model cartn z: 162.556
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H23
chem comp atom.pdbx component comp id: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.576
chem comp atom.pdbx model cartn y ideal: 1.511
chem comp atom.pdbx model cartn z ideal: -1.251
chem comp atom.pdbx ordinal: 45
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H24,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: H24
chem comp atom.comp id: HJM
chem comp atom.alt atom id: H24
chem comp atom.charge: 0
chem comp atom.model cartn x: 146.366
chem comp atom.model cartn y: 148.649
chem comp atom.model cartn z: 159.482
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H24
chem comp atom.pdbx component comp id: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.084
chem comp atom.pdbx model cartn y ideal: -1.926
chem comp atom.pdbx model cartn z ideal: -1.724
chem comp atom.pdbx ordinal: 46
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H25,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: H25
chem comp atom.comp id: HJM
chem comp atom.alt atom id: H25
chem comp atom.charge: 0
chem comp atom.model cartn x: 145.985
chem comp atom.model cartn y: 150.026
chem comp atom.model cartn z: 158.393
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H25
chem comp atom.pdbx component comp id: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.413
chem comp atom.pdbx model cartn y ideal: -1.318
chem comp atom.pdbx model cartn z ideal: -1.848
chem comp atom.pdbx ordinal: 47
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H26,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: H26
chem comp atom.comp id: HJM
chem comp atom.alt atom id: H26
chem comp atom.charge: 0
chem comp atom.model cartn x: 144.083
chem comp atom.model cartn y: 148.036
chem comp atom.model cartn z: 157.092
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H26
chem comp atom.pdbx component comp id: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.440
chem comp atom.pdbx model cartn y ideal: -3.082
chem comp atom.pdbx model cartn z ideal: 0.484
chem comp atom.pdbx ordinal: 48
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H27,HJM
type: chem comp atom
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
chem comp atom.atom id: H27
chem comp atom.comp id: HJM
chem comp atom.alt atom id: H27
chem comp atom.charge: 0
chem comp atom.model cartn x: 144.467
chem comp atom.model cartn y: 149.791
chem comp atom.model cartn z: 157.113
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H27
chem comp atom.pdbx component comp id: HJM
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.971
chem comp atom.pdbx model cartn y ideal: -1.786
chem comp atom.pdbx model cartn z ideal: 1.592
chem comp atom.pdbx ordinal: 49
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

C20,O,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: O
chem comp bond.comp id: HJM
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

O,C18,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: O
chem comp bond.atom id 2: C18
chem comp bond.comp id: HJM
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

C18,C16,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: C16
chem comp bond.comp id: HJM
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 3
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C18,C19,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: C19
chem comp bond.comp id: HJM
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 4
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C16,C13,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: C13
chem comp bond.comp id: HJM
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 5
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C19,C17,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: C17
chem comp bond.comp id: HJM
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 6
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C12,C9,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: C9
chem comp bond.comp id: HJM
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

C12,C11,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: C11
chem comp bond.comp id: HJM
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

C13,C11,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: C11
chem comp bond.comp id: HJM
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 9
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C13,C15,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: C15
chem comp bond.comp id: HJM
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 10
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C9,N1,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: N1
chem comp bond.comp id: HJM
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

C17,C15,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: C15
chem comp bond.comp id: HJM
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 12
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C11,C8,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: C8
chem comp bond.comp id: HJM
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 13
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C15,N2,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: N2
chem comp bond.comp id: HJM
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 14
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N1,C7,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: N1
chem comp bond.atom id 2: C7
chem comp bond.comp id: HJM
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

N1,C1,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: N1
chem comp bond.atom id 2: C1
chem comp bond.comp id: HJM
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

C8,N2,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: N2
chem comp bond.comp id: HJM
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 17
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C8,C2,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: C2
chem comp bond.comp id: HJM
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

C7,C3,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: C3
chem comp bond.comp id: HJM
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

C1,C2,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: C2
chem comp bond.comp id: HJM
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

C1,C4,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: C4
chem comp bond.comp id: HJM
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

C2,C5,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: C5
chem comp bond.comp id: HJM
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

C5,C3,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: C3
chem comp bond.comp id: HJM
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

C3,C6,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: C6
chem comp bond.comp id: HJM
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

C10,C4,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: C4
chem comp bond.comp id: HJM
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

C10,C14,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: C14
chem comp bond.comp id: HJM
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

C4,C6,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: C6
chem comp bond.comp id: HJM
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 27
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C1,H2,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H2
chem comp bond.comp id: HJM
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

N2,H3,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: N2
chem comp bond.atom id 2: H3
chem comp bond.comp id: HJM
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,H4,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: H4
chem comp bond.comp id: HJM
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 30
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C3,H5,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: H5
chem comp bond.comp id: HJM
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

C10,H6,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: H6
chem comp bond.comp id: HJM
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

C10,H7,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: H7
chem comp bond.comp id: HJM
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

C12,H8,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: H8
chem comp bond.comp id: HJM
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

C12,H9,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: H9
chem comp bond.comp id: HJM
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

C14,H10,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: H10
chem comp bond.comp id: HJM
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

C14,H11,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: H11
chem comp bond.comp id: HJM
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 37
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C14,H12,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: H12
chem comp bond.comp id: HJM
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

C16,H13,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: H13
chem comp bond.comp id: HJM
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

C17,H14,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: H14
chem comp bond.comp id: HJM
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

C19,H15,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: H15
chem comp bond.comp id: HJM
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

C20,H16,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: H16
chem comp bond.comp id: HJM
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

C20,H17,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: H17
chem comp bond.comp id: HJM
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

C20,H18,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: H18
chem comp bond.comp id: HJM
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

C4,H19,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: H19
chem comp bond.comp id: HJM
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

C5,H20,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: H20
chem comp bond.comp id: HJM
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 46
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C5,H21,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: H21
chem comp bond.comp id: HJM
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 47
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C6,H22,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H22
chem comp bond.comp id: HJM
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

C6,H23,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H23
chem comp bond.comp id: HJM
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 49
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C7,H24,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: H24
chem comp bond.comp id: HJM
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 50
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C7,H25,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: H25
chem comp bond.comp id: HJM
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 51
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C9,H26,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: H26
chem comp bond.comp id: HJM
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 52
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C9,H27,HJM
type: chem comp bond
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HJM/chem_comp_atom/,
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: H27
chem comp bond.comp id: HJM
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 53
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

Create component,HJM,2018-07-06
type: pdbx chem comp audit
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
pdbx chem comp audit.action type: Create component
pdbx chem comp audit.comp id: HJM
pdbx chem comp audit.date: 2018-07-06
pdbx chem comp audit.processing site: RCSB

Other modification,HJM,2018-12-14
type: pdbx chem comp audit
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
pdbx chem comp audit.action type: Other modification
pdbx chem comp audit.comp id: HJM
pdbx chem comp audit.date: 2018-12-14
pdbx chem comp audit.processing site: RCSB

Other modification,HJM,2019-02-19
type: pdbx chem comp audit
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
pdbx chem comp audit.action type: Other modification
pdbx chem comp audit.comp id: HJM
pdbx chem comp audit.date: 2019-02-19
pdbx chem comp audit.processing site: RCSB

Initial release,HJM,2019-04-24
type: pdbx chem comp audit
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
pdbx chem comp audit.action type: Initial release
pdbx chem comp audit.comp id: HJM
pdbx chem comp audit.date: 2019-04-24
pdbx chem comp audit.processing site: RCSB

HJM,ACDLabs,12.01,SMILES
type: pdbx chem comp descriptor
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: HJM
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: N14CC2CC(C1C(C2)c3nc5c(c3CC4)cc(OC)cc5)CC

HJM,InChI,1.03,InChI
type: pdbx chem comp descriptor
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: HJM
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/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13+,17+,20+/m1/s1

HJM,InChI,1.03,InChIKey
type: pdbx chem comp descriptor
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: HJM
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: HSIBGVUMFOSJPD-CFDPKNGZSA-N

HJM,CACTVS,3.385,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: HJM
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[C@H]1C[C@@H]2C[C@@H]3[C@H]1[N@@](CCc4c3[nH]c5ccc(OC)cc45)C2

HJM,CACTVS,3.385,SMILES
type: pdbx chem comp descriptor
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: HJM
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[CH]1C[CH]2C[CH]3[CH]1[N](CCc4c3[nH]c5ccc(OC)cc45)C2

HJM,OpenEye OEToolkits,2.0.7,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: HJM
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: CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1[N@](C2)CCc4c3[nH]c5c4cc(cc5)OC

HJM,OpenEye OEToolkits,2.0.7,SMILES
type: pdbx chem comp descriptor
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: HJM
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: CCC1CC2CC3C1N(C2)CCc4c3[nH]c5c4cc(cc5)OC

HJM,ACDLabs,12.01,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: (5beta)-12-methoxyibogamine
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: HJM
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: (5beta)-12-methoxyibogamine