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9HJ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CACOAUsing1.43Å1.42Å
OAUCAXsing1.36Å1.36Å
CAXCAFdoub1.36Å1.40ÅAromatic
CAXCAWsing1.40Å1.39ÅAromatic
OATCABsing1.43Å1.43Å
OATCAWsing1.36Å1.38Å
CAFC5sing1.40Å1.40ÅAromatic
CAWCAEdoub1.38Å1.40ÅAromatic
NASCBBsing1.47Å1.46Å
NASC6sing1.38Å1.36Å
C5C6sing1.42Å1.39ÅAromatic
C5C4doub1.42Å1.39ÅAromatic
CAEC4sing1.40Å1.39ÅAromatic
CAOCAMsing1.53Å1.53Å
CAONBCsing1.47Å1.48Å
CBBCAMsing1.53Å1.52Å
CBBCALsing1.53Å1.52Å
C6N1doub1.33Å1.36ÅAromatic
C4N3sing1.34Å1.36ÅAromatic
CADNBCsing1.47Å1.47Å
NBCCANsing1.47Å1.48Å
CANCALsing1.53Å1.52Å
N1C2sing1.33Å1.36ÅAromatic
N3C2doub1.32Å1.36ÅAromatic
C2NARsing1.38Å1.39Å
NARCAKsing1.46Å1.46Å
NARC1sing1.47Å1.46Å
CAKCAJsing1.53Å1.53Å
CAJC7sing1.53Å1.52Å
C7H1sing1.09Å1.10Å
C7H2sing1.09Å1.10Å
C7H3sing1.09Å1.10Å
C1H4sing1.09Å1.10Å
C1H5sing1.09Å1.10Å
C1H6sing1.09Å1.10Å
CABH7sing1.09Å1.10Å
CABH8sing1.09Å1.10Å
CABH9sing1.09Å1.10Å
CACH10sing1.09Å1.10Å
CACH11sing1.09Å1.10Å
CACH12sing1.09Å1.10Å
CADH13sing1.09Å1.10Å
CADH14sing1.09Å1.10Å
CADH15sing1.09Å1.10Å
CAEH16sing1.08Å1.08Å
CAFH17sing1.08Å1.08Å
CAJH18sing1.09Å1.10Å
CAJH19sing1.09Å1.10Å
CAKH20sing1.09Å1.10Å
CAKH21sing1.09Å1.10Å
CALH22sing1.09Å1.10Å
CALH23sing1.09Å1.10Å
CAMH24sing1.09Å1.10Å
CAMH25sing1.09Å1.10Å
CANH26sing1.09Å1.10Å
CANH27sing1.09Å1.10Å
CAOH28sing1.09Å1.10Å
CAOH29sing1.09Å1.10Å
CBBH30sing1.09Å1.10Å
NASH31sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CACOAUCAX121.9°117.0°
OAUCACH10109.5°109.5°
OAUCACH11109.5°109.4°
OAUCACH12109.5°109.5°
OAUCAXCAF121.3°119.7°
OAUCAXCAW118.2°119.6°
CAFCAXCAW120.5°120.7°
CAXCAFC5119.0°119.7°
CAXCAFH17120.5°120.1°
CAXCAWOAT118.7°119.7°
CAXCAWCAE120.2°120.7°
CABOATCAW120.2°117.0°
OATCABH7109.5°109.5°
OATCABH8109.5°109.5°
OATCABH9109.5°109.5°
OATCAWCAE121.0°119.7°
CAFC5C6119.5°121.9°
CAFC5C4120.7°119.9°
C5CAFH17120.5°120.2°
CAWCAEC4119.6°119.5°
CAWCAEH16120.2°120.2°
CBBNASC6133.0°120.0°
NASCBBCAM113.7°109.5°
NASCBBCAL110.8°109.5°
NASCBBH30108.5°109.6°
CBBNASH31103.3°120.0°
NASC6C5114.5°120.8°
NASC6N1125.4°120.8°
C6NASH31103.3°120.0°
C6C5C4119.7°118.3°
C5C6N1120.1°118.4°
C5C4CAE119.9°119.5°
C5C4N3118.8°118.8°
CAEC4N3121.3°121.8°
C4CAEH16120.2°120.3°
CAMCAONBC112.2°109.5°
CAOCAMCBB103.0°109.3°
CAOCAMH24111.1°109.5°
CAOCAMH25111.1°109.5°
CAMCAOH28108.8°109.4°
CAMCAOH29108.8°109.5°
CAONBCCAD107.9°111.0°
CAONBCCAN115.3°111.2°
NBCCAOH28108.8°109.5°
NBCCAOH29108.8°109.5°
CAMCBBCAL107.9°109.2°
CBBCAMH24111.1°109.5°
CBBCAMH25111.1°109.5°
CAMCBBH30107.9°109.5°
CBBCALCAN104.5°109.3°
CBBCALH22110.7°109.5°
CBBCALH23110.7°109.5°
CALCBBH30107.8°109.6°
C6N1C2119.3°121.4°
C4N3C2120.4°120.4°
CADNBCCAN106.7°111.0°
NBCCADH13109.5°109.5°
NBCCADH14109.5°109.4°
NBCCADH15109.5°109.5°
NBCCANCAL111.8°109.5°
NBCCANH26108.9°109.4°
NBCCANH27108.9°109.4°
CANCALH22110.7°109.5°
CANCALH23110.7°109.4°
CALCANH26108.9°109.5°
CALCANH27108.9°109.5°
N1C2N3121.6°122.7°
N1C2NAR119.5°118.7°
N3C2NAR118.8°118.6°
C2NARCAK118.6°120.0°
C2NARC1119.8°120.0°
CAKNARC1121.6°120.0°
NARCAKCAJ105.3°109.5°
NARCAKH20110.5°109.5°
NARCAKH21110.5°109.4°
NARC1H4109.5°109.5°
NARC1H5109.4°109.4°
NARC1H6109.5°109.5°
CAKCAJC7113.6°109.5°
CAKCAJH18108.4°109.5°
CAKCAJH19108.5°109.4°
CAJCAKH20110.5°109.5°
CAJCAKH21110.5°109.5°
CAJC7H1109.5°109.5°
CAJC7H2109.5°109.5°
CAJC7H3109.4°109.5°
C7CAJH18108.4°109.5°
C7CAJH19108.4°109.5°
H1C7H2109.5°109.4°
H1C7H3109.5°109.5°
H2C7H3109.5°109.5°
H4C1H5109.5°109.5°
H4C1H6109.5°109.5°
H5C1H6109.4°109.5°
H7CABH8109.4°109.4°
H7CABH9109.5°109.4°
H8CABH9109.5°109.4°
H10CACH11109.5°109.5°
H10CACH12109.4°109.5°
H11CACH12109.5°109.5°
H13CADH14109.5°109.5°
H13CADH15109.5°109.5°
H14CADH15109.5°109.5°
H18CAJH19109.5°109.5°
H20CAKH21109.5°109.5°
H22CALH23109.5°109.5°
H24CAMH25109.5°109.5°
H26CANH27109.5°109.4°
H28CAOH29109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CACOAUCAXCAF13.2°0.0°
CACOAUCAXCAW167.9°179.8°
OAUCACH10H11120.0°120.0°
OAUCACH10H12120.0°120.0°
OAUCACH11H12120.0°120.0°
OAUCAXCAFCAW178.9°179.8°
OAUCAXCAWOAT0.6°0.1°
OAUCAXCAFC5179.8°180.0°
OAUCAXCAWCAE179.5°180.0°
CAXOAUCACH10180.0°60.0°
CAXOAUCACH1160.0°60.0°
CAXOAUCACH1260.0°180.0°
OAUCAXCAFH170.2°0.0°
CAFCAXCAWOAT179.5°179.7°
CAXCAFC5H17180.0°180.0°
CAFCAXCAWCAE1.5°0.2°
CAXCAFC5C6179.8°180.0°
CAXCAFC5C40.5°0.0°
CAXCAWOATCAB177.2°180.0°
CAXCAWOATCAE179.0°180.0°
CAWCAXCAFC50.9°0.2°
CAXCAWCAEC41.8°0.0°
CAXCAWCAEH16178.2°180.0°
CAWCAXCAFH17179.1°179.8°
CABOATCAWCAE1.8°0.0°
OATCABH7H8120.0°120.1°
OATCABH7H9120.0°120.0°
OATCABH8H9120.0°120.1°
OATCAWCAEC4179.3°180.0°
CAWOATCABH7180.0°60.0°
CAWOATCABH860.0°60.0°
CAWOATCABH960.0°180.0°
OATCAWCAEH160.7°0.0°
CAFC5C6NAS0.3°0.0°
CAFC5C6C4179.7°180.0°
CAFC5C4CAE0.8°0.3°
CAFC5C6N1179.9°180.0°
CAFC5C4N3179.9°180.0°
CAWCAEC4C51.4°0.3°
CAWCAEC4H16180.0°180.0°
CAWCAEC4N3179.3°180.0°
CBBNASC6H31122.9°180.0°
CBBNASC6C5179.0°180.0°
NASCBBCAMCAO164.5°177.5°
NASCBBCAMCAL123.4°119.9°
NASCBBCAMH30120.4°120.1°
NASCBBCALH30118.6°120.2°
CBBNASC6N11.4°0.0°
NASCBBCALCAN163.0°177.5°
NASCBBCALH2277.8°62.5°
NASCBBCALH2343.8°57.6°
NASCBBCAMH2476.6°57.6°
NASCBBCAMH2545.5°62.5°
NASC6C5N1179.6°180.0°
NASC6C5C4180.0°180.0°
C6NASCBBCAM68.7°155.0°
C6NASCBBCAL53.0°85.3°
NASC6N1C2180.0°180.0°
C6NASCBBH30171.3°34.9°
C6C5C4CAE179.6°179.7°
C6C5C4N30.3°0.0°
C5C6N1C20.4°0.0°
C6C5CAFH170.1°0.0°
C5C6NASH3158.1°0.0°
C5C4CAEN3179.3°179.7°
C4C5C6N10.4°0.0°
C5C4N3C20.1°0.0°
C5C4CAEH16178.6°179.7°
C4C5CAFH17179.5°180.0°
CAEC4N3C2179.4°179.8°
CAMCAONBCH28120.4°120.0°
CAMCAONBCH29120.4°120.0°
CAOCAMCBBH24119.0°119.9°
CAOCAMCBBH25118.9°120.0°
CAOCAMCBBCAL72.2°57.6°
CAMCAONBCCAD167.8°174.1°
CAMCAONBCCAN48.6°61.8°
CAOCAMH24H25123.0°120.1°
CAMCAOH28H29118.7°119.9°
CAOCAMCBBH3044.1°62.3°
NBCCAOCAMCBB58.4°59.2°
CAONBCCADCAN124.5°124.2°
CAONBCCANCAL47.2°61.7°
CAONBCCADH13180.0°60.0°
CAONBCCADH1460.0°180.0°
CAONBCCADH1560.0°60.0°
NBCCAOCAMH2460.6°60.7°
NBCCAOCAMH25177.3°179.2°
CAONBCCANH2673.1°178.2°
CAONBCCANH27167.6°58.3°
NBCCAOH28H29118.8°120.0°
CAMCBBCALH30116.3°119.9°
CAMCBBCALCAN71.9°57.6°
CAMCBBCALH2247.3°177.6°
CAMCBBCALH23168.9°62.3°
CBBCAMH24H25123.0°120.1°
CBBCAMCAOH2862.0°60.9°
CBBCAMCAOH29178.8°179.2°
CAMCBBNASH3154.2°25.0°
CBBCALCANNBC56.5°59.2°
CBBCALCANH22119.2°120.0°
CBBCALCANH23119.2°119.9°
CBBCALH22H23122.3°120.1°
CALCBBCAMH2446.8°62.3°
CALCBBCAMH25168.9°177.6°
CBBCALCANH2663.8°179.2°
CBBCALCANH27176.9°60.9°
CALCBBNASH31176.0°94.7°
C6N1C2N30.3°0.0°
C6N1C2NAR178.9°180.0°
N1C6NASH31121.5°180.0°
C4N3C2N10.1°0.1°
C4N3C2NAR178.8°180.0°
N3C4CAEH160.7°0.0°
CADNBCCANCAL167.1°174.2°
NBCCADH13H14120.0°120.0°
NBCCADH13H15120.0°120.0°
NBCCADH14H15120.0°120.0°
CADNBCCANH2646.7°54.1°
CADNBCCANH2772.5°65.8°
CADNBCCAOH2847.4°65.9°
CADNBCCAOH2971.8°54.1°
NBCCANCALH26120.3°120.0°
NBCCANCALH27120.4°120.0°
CANNBCCADH1355.5°175.8°
CANNBCCADH1464.5°55.8°
CANNBCCADH15175.5°64.2°
NBCCANCALH2262.7°179.2°
NBCCANCALH23175.7°60.8°
NBCCANH26H27118.9°119.9°
CANNBCCAOH2871.8°58.2°
CANNBCCAOH29169.0°178.2°
CANCALH22H23122.3°120.0°
CALCANH26H27118.9°120.0°
CANCALCBBH3044.4°62.3°
N1C2N3NAR178.6°179.9°
N1C2NARCAK163.6°180.0°
N1C2NARC113.9°0.0°
N3C2NARCAK15.1°0.1°
N3C2NARC1167.4°180.0°
C2NARCAKC1177.5°180.0°
C2NARCAKCAJ134.4°90.0°
C2NARC1H4180.0°90.0°
C2NARC1H560.0°150.0°
C2NARC1H660.0°30.0°
C2NARCAKH20106.3°30.0°
C2NARCAKH2115.0°150.0°
NARCAKCAJH20119.3°120.0°
NARCAKCAJH21119.4°119.9°
NARCAKCAJC7175.6°180.0°
CAKNARC1H42.6°90.0°
CAKNARC1H5122.6°30.0°
CAKNARC1H6117.5°150.0°
NARCAKCAJH1855.0°60.0°
NARCAKCAJH1963.7°60.0°
NARCAKH20H21121.9°120.0°
C1NARCAKCAJ48.2°90.0°
NARC1H4H5120.0°120.0°
NARC1H4H6120.0°120.0°
NARC1H5H6120.0°120.0°
C1NARCAKH2071.2°150.0°
C1NARCAKH21167.5°30.0°
CAKCAJC7H18120.6°120.0°
CAKCAJC7H19120.6°120.0°
CAKCAJC7H1180.0°60.0°
CAKCAJC7H260.0°59.9°
CAKCAJC7H360.0°180.0°
CAKCAJH18H19118.1°120.0°
CAJCAKH20H21121.9°120.0°
CAJC7H1H2120.0°120.0°
CAJC7H1H3120.0°120.0°
CAJC7H2H3120.0°120.0°
C7CAJH18H19118.1°120.0°
C7CAJCAKH2065.0°60.0°
C7CAJCAKH2156.3°60.1°
H1C7H2H3120.0°120.0°
H1C7CAJH1859.4°60.0°
H1C7CAJH1959.4°180.0°
H2C7CAJH18179.4°180.0°
H2C7CAJH1960.6°60.0°
H3C7CAJH1860.6°60.0°
H3C7CAJH19179.4°60.0°
H4C1H5H6120.0°120.0°
H7CABH8H9120.0°119.9°
H10CACH11H12120.0°120.0°
H13CADH14H15120.0°120.0°
H18CAJCAKH20174.4°180.0°
H18CAJCAKH2164.3°59.9°
H19CAJCAKH2055.6°60.0°
H19CAJCAKH21176.9°179.9°
H22CALCANH26177.0°60.8°
H22CALCANH2757.7°59.2°
H22CALCBBH30163.6°57.7°
H23CALCANH2655.4°59.2°
H23CALCANH2763.9°179.2°
H23CALCBBH3074.9°177.8°
H24CAMCAOH28179.0°179.2°
H24CAMCAOH2959.8°59.3°
H24CAMCBBH30163.1°177.7°
H25CAMCAOH2856.9°59.1°
H25CAMCAOH2962.3°60.8°
H25CAMCBBH3074.8°57.6°
H30CBBNASH3165.8°145.1°

222415

PDB entries from 2024-07-10

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