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9HG

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C3C8sing1.55Å1.52Å
C3C7sing1.55Å1.53Å
C8CAKsing1.54Å1.52Å
C7CAJsing1.54Å1.53Å
C1NARsing1.46Å1.46Å
CAKCAJsing1.54Å1.53Å
CAKNARsing1.46Å1.46Å
NARC2sing1.38Å1.39Å
C2N1doub1.33Å1.35ÅAromatic
C2N3sing1.32Å1.35ÅAromatic
CAOCAMsing1.53Å1.53Å
CAONBCsing1.47Å1.47Å
N1C6sing1.33Å1.35ÅAromatic
N3C4doub1.34Å1.35ÅAromatic
CADNBCsing1.47Å1.47Å
CAMCBBsing1.53Å1.52Å
NBCCANsing1.47Å1.47Å
CBBNASsing1.47Å1.47Å
CBBCALsing1.53Å1.53Å
C6NASsing1.38Å1.36Å
C6C5doub1.42Å1.40ÅAromatic
C4CAEsing1.40Å1.40ÅAromatic
C4C5sing1.42Å1.40ÅAromatic
CANCALsing1.53Å1.53Å
CAECAWdoub1.38Å1.39ÅAromatic
C5CAFsing1.40Å1.39ÅAromatic
CAWCAXsing1.40Å1.39ÅAromatic
CAWOATsing1.36Å1.37Å
CABOATsing1.43Å1.43Å
CAFCAXdoub1.37Å1.40ÅAromatic
CAXOAUsing1.36Å1.37Å
OAUCACsing1.43Å1.43Å
C7H1sing1.09Å1.10Å
C7H2sing1.09Å1.10Å
C8H3sing1.09Å1.10Å
C8H4sing1.09Å1.10Å
C3H5sing1.09Å1.10Å
C3H6sing1.09Å1.10Å
C1H7sing1.09Å1.10Å
C1H8sing1.09Å1.10Å
C1H9sing1.09Å1.10Å
CABH10sing1.09Å1.10Å
CABH11sing1.09Å1.10Å
CABH12sing1.09Å1.10Å
CACH13sing1.09Å1.10Å
CACH14sing1.09Å1.10Å
CACH15sing1.09Å1.10Å
CADH16sing1.09Å1.10Å
CADH17sing1.09Å1.10Å
CADH18sing1.09Å1.10Å
CAEH19sing1.08Å1.08Å
CAFH20sing1.08Å1.08Å
CAJH21sing1.09Å1.10Å
CAJH22sing1.09Å1.10Å
CAKH23sing1.09Å1.10Å
CALH24sing1.09Å1.10Å
CALH25sing1.09Å1.10Å
CAMH26sing1.09Å1.10Å
CAMH27sing1.09Å1.10Å
CANH28sing1.09Å1.10Å
CANH29sing1.09Å1.10Å
CAOH30sing1.09Å1.10Å
CAOH31sing1.09Å1.10Å
CBBH32sing1.09Å1.10Å
NASH33sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C8C3C7105.8°102.8°
C3C8CAK104.7°104.2°
C3C8H3110.7°110.5°
C3C8H4110.7°110.6°
C8C3H5110.4°110.8°
C8C3H6110.4°110.8°
C3C7CAJ106.9°104.2°
C3C7H1110.1°110.5°
C3C7H2110.1°110.6°
C7C3H5110.4°110.8°
C7C3H6110.4°110.7°
C8CAKCAJ105.4°106.6°
C8CAKNAR108.8°110.1°
CAKC8H3110.6°110.4°
CAKC8H4110.6°110.5°
C8CAKH23111.5°110.0°
C7CAJCAK106.7°106.6°
CAJC7H1110.1°110.5°
CAJC7H2110.1°110.5°
C7CAJH21110.2°110.0°
C7CAJH22110.2°110.0°
C1NARCAK121.5°120.0°
C1NARC2120.7°120.0°
NARC1H7109.5°109.5°
NARC1H8109.4°109.5°
NARC1H9109.5°109.5°
CAJCAKNAR107.0°110.0°
CAKCAJH21110.1°110.1°
CAKCAJH22110.1°110.1°
CAJCAKH23111.4°110.0°
CAKNARC2117.8°120.0°
NARCAKH23112.4°110.1°
NARC2N1120.0°118.6°
NARC2N3118.8°118.7°
N1C2N3121.2°122.7°
C2N1C6120.8°121.4°
C2N3C4120.5°120.4°
CAMCAONBC108.8°109.5°
CAOCAMCBB110.3°109.3°
CAOCAMH26109.3°109.5°
CAOCAMH27109.3°109.5°
CAMCAOH30109.6°109.5°
CAMCAOH31109.6°109.5°
CAONBCCAD108.5°111.0°
CAONBCCAN108.7°111.2°
NBCCAOH30109.6°109.5°
NBCCAOH31109.6°109.4°
N1C6NAS118.2°120.8°
N1C6C5119.3°118.3°
N3C4CAE119.6°121.8°
N3C4C5119.4°118.8°
CADNBCCAN110.3°111.0°
NBCCADH16109.5°109.5°
NBCCADH17109.5°109.4°
NBCCADH18109.5°109.5°
CAMCBBNAS104.1°109.5°
CAMCBBCAL107.9°109.2°
CBBCAMH26109.2°109.5°
CBBCAMH27109.2°109.5°
CAMCBBH32111.8°109.5°
NBCCANCAL109.1°109.5°
NBCCANH28109.6°109.4°
NBCCANH29109.6°109.4°
NASCBBCAL108.3°109.5°
CBBNASC6119.6°120.0°
NASCBBH32112.6°109.5°
CBBNASH33106.9°119.9°
CBBCALCAN111.0°109.3°
CBBCALH24109.1°109.5°
CBBCALH25109.1°109.5°
CALCBBH32111.7°109.5°
NASC6C5122.5°120.9°
C6NASH33106.9°120.0°
C6C5C4118.7°118.3°
C6C5CAF121.7°121.8°
CAEC4C5121.0°119.4°
C4CAECAW119.1°119.6°
C4CAEH19120.4°120.2°
C4C5CAF119.6°119.9°
CANCALH24109.1°109.5°
CANCALH25109.1°109.5°
CALCANH28109.6°109.5°
CALCANH29109.6°109.5°
CAECAWCAX120.0°120.7°
CAECAWOAT121.4°119.7°
CAWCAEH19120.5°120.2°
C5CAFCAX119.3°119.6°
C5CAFH20120.3°120.2°
CAXCAWOAT118.6°119.6°
CAWCAXCAF121.0°120.8°
CAWCAXOAU118.3°119.6°
CAWOATCAB118.8°117.0°
OATCABH10109.5°109.5°
OATCABH11109.5°109.5°
OATCABH12109.5°109.5°
CAFCAXOAU120.7°119.6°
CAXCAFH20120.3°120.2°
CAXOAUCAC119.8°117.0°
OAUCACH13109.5°109.4°
OAUCACH14109.5°109.5°
OAUCACH15109.5°109.5°
H1C7H2109.5°110.4°
H3C8H4109.5°110.4°
H5C3H6109.5°110.8°
H7C1H8109.5°109.5°
H7C1H9109.5°109.4°
H8C1H9109.5°109.4°
H10CABH11109.5°109.5°
H10CABH12109.5°109.4°
H11CABH12109.4°109.5°
H13CACH14109.4°109.4°
H13CACH15109.5°109.5°
H14CACH15109.5°109.5°
H16CADH17109.5°109.4°
H16CADH18109.4°109.5°
H17CADH18109.5°109.5°
H21CAJH22109.5°110.0°
H24CALH25109.5°109.5°
H26CAMH27109.5°109.5°
H28CANH29109.5°109.5°
H30CAOH31109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C8C3C7H5119.4°118.3°
C8C3C7H6119.4°118.4°
C3C8CAKH3119.2°118.7°
C3C8CAKH4119.2°118.8°
C8C3C7CAJ17.5°37.9°
C3C8CAKCAJ32.2°23.6°
C3C8CAKNAR146.7°142.9°
C8C3C7H1137.1°156.6°
C8C3C7H2102.1°80.8°
C3C8H3H4122.3°122.7°
C8C3H5H6121.7°123.3°
C3C8CAKH2388.8°95.6°
C7C3C8CAK30.8°37.9°
C3C7CAJH1119.6°118.7°
C3C7CAJH2119.6°118.7°
C3C7CAJCAK2.5°23.6°
C3C7H1H2121.2°122.7°
C7C3C8H388.5°80.7°
C7C3C8H4150.0°156.7°
C7C3H5H6121.7°123.3°
C3C7CAJH21122.0°95.7°
C3C7CAJH22117.1°142.9°
C8CAKCAJC721.5°0.0°
C8CAKNARC123.3°60.0°
C8CAKCAJNAR115.7°119.3°
C8CAKCAJH23121.1°119.2°
C8CAKNARH23124.0°121.4°
C8CAKNARC2156.9°120.1°
CAKC8H3H4122.2°122.5°
CAKC8C3H588.6°156.3°
CAKC8C3H6150.2°80.4°
C8CAKCAJH21141.1°119.2°
C8CAKCAJH2298.1°119.3°
C7CAJCAKH21119.6°119.3°
C7CAJCAKH22119.6°119.3°
C7CAJCAKNAR137.2°119.3°
CAJC7H1H2121.2°122.5°
CAJC7C3H5101.9°156.3°
CAJC7C3H6136.9°80.4°
C7CAJH21H22121.3°121.4°
C7CAJCAKH2399.6°119.3°
C1NARCAKCAJ90.1°57.2°
C1NARCAKC2179.7°180.0°
C1NARC2N11.9°0.0°
C1NARC2N3178.1°179.7°
NARC1H7H8120.0°120.1°
NARC1H7H9120.0°120.0°
NARC1H8H9120.0°120.0°
C1NARCAKH23147.3°178.6°
CAJCAKNARH23122.6°121.4°
CAJCAKNARC289.7°122.8°
CAKCAJC7H1117.1°142.4°
CAKCAJC7H2122.0°95.1°
CAJCAKC8H387.0°95.1°
CAJCAKC8H4151.5°142.4°
CAKCAJH21H22121.3°121.5°
CAKNARC2N1177.9°180.0°
CAKNARC2N32.1°0.3°
NARCAKC8H327.5°24.2°
NARCAKC8H494.0°98.3°
CAKNARC1H7180.0°90.0°
CAKNARC1H860.0°150.0°
CAKNARC1H960.0°30.0°
NARCAKCAJH21103.3°121.5°
NARCAKCAJH2217.6°0.0°
NARC2N1N3180.0°179.7°
NARC2N1C6179.9°180.0°
NARC2N3C4179.1°179.8°
C2NARC1H70.3°90.1°
C2NARC1H8119.7°30.0°
C2NARC1H9120.3°150.0°
C2NARCAKH2332.9°1.4°
N1C2N3C40.9°0.6°
C2N1C6NAS179.8°180.0°
C2N1C6C50.6°0.0°
N3C2N1C60.1°0.3°
C2N3C4CAE179.3°179.7°
C2N3C4C51.0°0.5°
CAMCAONBCH30119.9°120.0°
CAMCAONBCH31119.9°120.0°
CAMCAONBCCAD175.1°174.2°
CAOCAMCBBH26120.1°119.9°
CAOCAMCBBH27120.1°120.0°
CAMCAONBCCAN64.9°61.8°
CAOCAMCBBNAS171.3°177.6°
CAOCAMCBBCAL56.3°57.6°
CAOCAMH26H27119.6°120.1°
CAMCAOH30H31120.3°120.0°
CAOCAMCBBH3266.9°62.3°
CAONBCCADCAN119.0°124.2°
NBCCAOCAMCBB62.0°59.2°
CAONBCCANCAL63.5°61.7°
CAONBCCADH16180.0°60.0°
CAONBCCADH1760.0°180.0°
CAONBCCADH1860.0°60.0°
NBCCAOCAMH2658.1°60.8°
NBCCAOCAMH27177.9°179.2°
CAONBCCANH2856.4°178.3°
CAONBCCANH29176.5°58.3°
NBCCAOH30H31120.3°120.0°
N1C6NASCBB0.5°0.1°
N1C6NASC5179.6°179.9°
N1C6C5C40.5°0.0°
N1C6C5CAF179.9°180.0°
N1C6NASH33121.0°179.9°
N3C4C5C60.3°0.2°
N3C4CAEC5179.8°179.8°
N3C4CAECAW179.4°179.7°
N3C4C5CAF179.3°179.7°
N3C4CAEH190.5°0.2°
CADNBCCANCAL177.6°174.2°
NBCCADH16H17120.0°119.9°
NBCCADH16H18120.0°120.0°
NBCCADH17H18120.0°120.0°
CADNBCCANH2862.5°54.2°
CADNBCCANH2957.6°65.8°
CADNBCCAOH3065.0°65.8°
CADNBCCAOH3155.2°54.1°
CAMCBBNASCAL114.6°119.7°
CAMCBBNASH32121.3°120.1°
CAMCBBCALH32123.3°119.9°
CAMCBBNASC6107.0°155.0°
CAMCBBCALCAN55.3°57.6°
CAMCBBCALH2464.9°177.6°
CAMCBBCALH25175.5°62.3°
CBBCAMH26H27119.6°120.1°
CBBCAMCAOH3057.9°60.9°
CBBCAMCAOH31178.1°179.2°
CAMCBBNASH33131.6°25.0°
NBCCANCALCBB59.6°59.1°
NBCCANCALH28120.0°120.0°
NBCCANCALH29119.9°120.0°
CANNBCCADH1661.0°175.8°
CANNBCCADH1759.0°55.8°
CANNBCCADH18179.0°64.2°
NBCCANCALH2460.6°179.1°
NBCCANCALH25179.8°60.8°
NBCCANH28H29120.2°120.0°
CANNBCCAOH3055.0°58.2°
CANNBCCAOH31175.2°178.2°
NASCBBCALH32124.6°120.1°
CBBNASC6H33121.4°180.0°
CBBNASC6C5179.9°180.0°
NASCBBCALCAN167.4°177.6°
NASCBBCALH2447.1°62.4°
NASCBBCALH2572.4°57.6°
NASCBBCAMH2651.1°57.7°
NASCBBCAMH2768.6°62.4°
CALCBBNASC6138.4°85.2°
CBBCALCANH24120.2°120.0°
CBBCALCANH25120.2°119.9°
CBBCALH24H25119.3°120.1°
CALCBBCAMH2663.8°62.3°
CALCBBCAMH27176.5°177.6°
CBBCALCANH2860.4°179.1°
CBBCALCANH29179.5°60.8°
CALCBBNASH3317.0°94.7°
NASC6C5C4179.9°179.9°
NASC6C5CAF0.3°0.0°
C6NASCBBH3214.3°34.9°
C6C5C4CAE180.0°180.0°
C6C5C4CAF179.6°179.9°
C6C5CAFCAX179.8°180.0°
C6C5CAFH200.2°0.0°
C5C6NASH3358.7°0.0°
C4CAECAWH19180.0°180.0°
CAEC4C5CAF0.5°0.1°
C4CAECAWCAX0.4°0.1°
C4CAECAWOAT179.7°180.0°
C5C4CAECAW0.3°0.1°
C4C5CAFCAX0.6°0.0°
C5C4CAEH19179.7°180.0°
C4C5CAFH20179.3°180.0°
CANCALH24H25119.3°120.1°
CALCANH28H29120.2°120.0°
CANCALCBBH3268.0°62.3°
CAECAWCAXOAT179.9°180.0°
CAECAWOATCAB0.9°0.0°
CAECAWCAXCAF0.6°0.0°
CAECAWCAXOAU179.8°180.0°
C5CAFCAXCAW0.7°0.0°
C5CAFCAXH20180.0°180.0°
C5CAFCAXOAU179.6°180.0°
CAXCAWOATCAB179.0°180.0°
CAWCAXCAFOAU179.6°180.0°
CAWCAXOAUCAC163.0°180.0°
CAXCAWCAEH19179.6°180.0°
CAWCAXCAFH20179.3°180.0°
OATCAWCAXCAF179.5°180.0°
OATCAWCAXOAU0.2°0.1°
CAWOATCABH10180.0°180.0°
CAWOATCABH1160.0°60.0°
CAWOATCABH1260.0°60.0°
OATCAWCAEH190.3°0.0°
OATCABH10H11120.0°120.0°
OATCABH10H12120.0°120.0°
OATCABH11H12120.0°120.0°
CAFCAXOAUCAC17.3°0.0°
CAXOAUCACH13180.0°179.9°
CAXOAUCACH1460.0°60.0°
CAXOAUCACH1560.0°60.0°
OAUCAXCAFH200.4°0.1°
OAUCACH13H14120.0°119.9°
OAUCACH13H15120.0°120.0°
OAUCACH14H15120.0°120.1°
H1C7C3H517.7°85.0°
H1C7C3H6103.5°38.3°
H1C7CAJH212.4°23.0°
H1C7CAJH22123.3°98.3°
H2C7C3H5138.5°37.6°
H2C7C3H617.3°160.9°
H2C7CAJH21118.4°145.5°
H2C7CAJH222.5°24.2°
H3C8C3H5152.1°37.6°
H3C8C3H631.0°161.0°
H3C8CAKH23152.0°145.7°
H4C8C3H530.6°85.0°
H4C8C3H690.6°38.4°
H4C8CAKH2330.5°23.2°
H7C1H8H9120.0°119.9°
H10CABH11H12120.0°120.0°
H13CACH14H15120.0°120.0°
H16CADH17H18119.9°120.0°
H21CAJCAKH2320.0°0.0°
H22CAJCAKH23140.9°121.5°
H24CALCANH28179.4°60.9°
H24CALCANH2959.3°59.2°
H24CALCBBH32171.8°57.7°
H25CALCANH2859.8°59.2°
H25CALCANH2960.3°179.3°
H25CALCBBH3252.2°177.8°
H26CAMCAOH30178.0°179.2°
H26CAMCAOH3161.8°59.2°
H26CAMCBBH32173.0°177.8°
H27CAMCAOH3062.2°59.2°
H27CAMCAOH3158.0°60.8°
H27CAMCBBH3253.2°57.7°
H32CBBNASH33107.1°145.1°

222415

PDB entries from 2024-07-10

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