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9D6

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAACAMsing1.53Å1.55Å
CAMNBDsing1.47Å1.50Å
CAJCALsing1.53Å1.55Å
CAJCAKsing1.53Å1.55Å
CALCAOsing1.53Å1.56Å
CBCCANsing1.53Å1.56Å
CBCNBDsing1.47Å1.51Å
CBCCAOsing1.53Å1.56Å
CANCAKsing1.53Å1.55Å
NBDCAQsing1.47Å1.49Å
CAQCAXsing1.51Å1.40Å
CAXCAGdoub1.38Å1.40ÅAromatic
CAXCAFsing1.38Å1.40ÅAromatic
CAGCAEsing1.38Å1.40ÅAromatic
CAFCADdoub1.38Å1.41ÅAromatic
CAECAWdoub1.38Å1.40ÅAromatic
CADCAWsing1.38Å1.41ÅAromatic
CAWCAPsing1.51Å1.40Å
CAPNASsing1.46Å1.48Å
NASCAVsing1.35Å1.34Å
OABCAVdoub1.22Å1.24Å
OACCAZdoub1.22Å1.23Å
CAVCAYsing1.47Å1.36Å
CAZCBBsing1.43Å1.36Å
CAZNATsing1.35Å1.39Å
CAYCBBsing1.46Å1.38ÅAromatic
CAYCAIdoub1.34Å1.34ÅAromatic
CBBCBAdoub1.39Å1.37ÅAromatic
NATCAHsing1.36Å1.31Å
CAISAUsing1.70Å1.64ÅAromatic
CBASAUsing1.76Å1.58ÅAromatic
CBANARsing1.35Å1.34Å
CAHNARdoub1.30Å1.38Å
CANH1sing1.09Å1.10Å
CANH2sing1.09Å1.10Å
CAKH3sing1.09Å1.10Å
CAKH4sing1.09Å1.10Å
CAJH5sing1.09Å1.10Å
CAJH6sing1.09Å1.10Å
CALH7sing1.09Å1.10Å
CALH8sing1.09Å1.10Å
CAOH9sing1.09Å1.10Å
CAOH10sing1.09Å1.10Å
CBCH11sing1.09Å1.10Å
CAMH13sing1.09Å1.10Å
CAMH14sing1.09Å1.10Å
CAAH15sing1.09Å1.10Å
CAAH16sing1.09Å1.10Å
CAAH17sing1.09Å1.10Å
CAQH18sing1.09Å1.10Å
CAQH19sing1.09Å1.10Å
CAGH20sing1.08Å1.08Å
CAEH21sing1.08Å1.08Å
CAFH22sing1.08Å1.08Å
CADH23sing1.08Å1.08Å
CAPH24sing1.09Å1.10Å
CAPH25sing1.09Å1.10Å
NASH26sing0.97Å1.00Å
CAHH27sing1.08Å1.08Å
CAIH29sing1.08Å1.08Å
NATH30sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAACAMNBD119.2°109.5°
CAACAMH13107.0°109.5°
CAACAMH14107.0°109.5°
CAMCAAH15109.5°109.5°
CAMCAAH16109.5°109.5°
CAMCAAH17109.5°109.5°
CAMNBDCBC111.4°111.0°
CAMNBDCAQ104.1°111.0°
NBDCAMH13107.0°109.4°
NBDCAMH14107.0°109.5°
CALCAJCAK111.3°109.4°
CAJCALCAO112.2°109.5°
CALCAJH5109.0°109.5°
CALCAJH6109.0°109.4°
CAJCALH7108.8°109.5°
CAJCALH8108.8°109.5°
CAJCAKCAN112.7°109.4°
CAJCAKH3108.7°109.5°
CAJCAKH4108.7°109.5°
CAKCAJH5109.0°109.5°
CAKCAJH6109.0°109.4°
CALCAOCBC112.3°109.5°
CAOCALH7108.8°109.4°
CAOCALH8108.8°109.5°
CALCAOH9108.8°109.5°
CALCAOH10108.7°109.5°
CANCBCNBD118.7°109.5°
CANCBCCAO111.0°109.5°
CBCCANCAK112.0°109.5°
CBCCANH1108.8°109.4°
CBCCANH2108.8°109.5°
CANCBCH11103.4°109.5°
NBDCBCCAO114.4°109.5°
CBCNBDCAQ118.9°111.0°
NBDCBCH11103.8°109.5°
CBCCAOH9108.8°109.4°
CBCCAOH10108.8°109.5°
CAOCBCH11103.3°109.5°
CAKCANH1108.8°109.5°
CAKCANH2108.8°109.5°
CANCAKH3108.6°109.4°
CANCAKH4108.6°109.5°
NBDCAQCAX122.0°109.5°
NBDCAQH18106.2°109.5°
NBDCAQH19106.3°109.5°
CAQCAXCAG119.0°120.0°
CAQCAXCAF121.0°120.0°
CAXCAQH18106.2°109.4°
CAXCAQH19106.2°109.4°
CAGCAXCAF118.4°120.0°
CAXCAGCAE121.4°120.0°
CAXCAGH20119.3°120.0°
CAXCAFCAD120.2°120.0°
CAXCAFH22119.9°120.0°
CAGCAECAW119.9°120.0°
CAECAGH20119.3°120.0°
CAGCAEH21120.0°120.0°
CAFCADCAW120.5°120.0°
CADCAFH22119.9°120.0°
CAFCADH23119.8°120.0°
CAECAWCAD119.2°120.0°
CAECAWCAP118.8°120.0°
CAWCAEH21120.1°120.0°
CADCAWCAP121.8°120.0°
CAWCADH23119.8°120.0°
CAWCAPNAS113.8°109.5°
CAWCAPH24108.4°109.4°
CAWCAPH25108.4°109.5°
CAPNASCAV121.6°120.0°
NASCAPH24108.4°109.5°
NASCAPH25108.4°109.5°
CAPNASH26119.2°120.0°
NASCAVOAB119.9°120.0°
NASCAVCAY121.1°120.0°
CAVNASH26119.2°120.0°
OABCAVCAY118.7°120.0°
OACCAZCBB124.2°120.7°
OACCAZNAT114.8°120.6°
CAVCAYCBB132.8°123.0°
CAVCAYCAI114.6°123.1°
CBBCAZNAT121.0°118.6°
CAZCBBCAY133.7°130.5°
CAZCBBCBA114.9°118.1°
CAZNATCAH122.6°120.3°
CAZNATH30118.7°119.8°
CBBCAYCAI112.6°113.9°
CAYCBBCBA111.3°111.3°
CAYCAISAU109.5°112.1°
CAYCAIH29125.3°124.0°
CBBCBASAU110.7°109.7°
CBBCBANAR123.9°119.4°
NATCAHNAR117.1°121.9°
NATCAHH27121.5°119.1°
CAHNATH30118.7°119.9°
CAISAUCBA96.0°93.0°
SAUCAIH29125.3°124.0°
SAUCBANAR125.5°130.8°
CBANARCAH120.4°121.6°
NARCAHH27121.4°119.0°
H1CANH2109.5°109.5°
H3CAKH4109.5°109.5°
H5CAJH6109.5°109.5°
H7CALH8109.5°109.5°
H9CAOH10109.5°109.5°
H13CAMH14109.4°109.4°
H15CAAH16109.4°109.4°
H15CAAH17109.5°109.4°
H16CAAH17109.5°109.5°
H18CAQH19109.4°109.4°
H24CAPH25109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAACAMNBDH13121.4°120.0°
CAACAMNBDH14121.4°120.0°
CAACAMNBDCBC38.3°164.3°
CAACAMNBDCAQ91.1°71.7°
CAACAMH13H14115.6°120.0°
CAMCAAH15H16120.0°120.0°
CAMCAAH15H17120.0°120.0°
CAMCAAH16H17120.0°120.0°
CAMNBDCBCCAN147.3°66.0°
CAMNBDCBCCAQ121.1°124.0°
CAMNBDCBCCAO78.6°54.0°
CAMNBDCAQCAX136.0°160.2°
CAMNBDCBCH1133.3°174.0°
NBDCAMH13H14115.6°119.9°
NBDCAMCAAH15180.0°177.6°
NBDCAMCAAH1660.0°57.6°
NBDCAMCAAH1760.0°62.4°
CAMNBDCAQH1814.3°40.2°
CAMNBDCAQH19102.2°79.8°
CALCAJCAKH5120.3°120.0°
CALCAJCAKH6120.3°119.9°
CAJCALCAOH7120.4°120.0°
CAJCALCAOH8120.4°120.1°
CAJCALCAOCBC41.0°60.0°
CALCAJCAKCAN61.1°60.1°
CALCAJCAKH3178.4°180.0°
CALCAJCAKH459.4°60.0°
CALCAJH5H6119.2°120.0°
CAJCALH7H8118.8°120.1°
CAJCALCAOH979.4°59.9°
CAJCALCAOH10161.5°179.9°
CAKCAJCALCAO17.8°60.1°
CAJCAKCANCBC40.9°60.1°
CAJCAKCANH3120.5°119.9°
CAJCAKCANH4120.5°120.1°
CAJCAKCANH1161.3°180.0°
CAJCAKCANH279.5°59.9°
CAJCAKH3H4118.5°120.1°
CAKCAJH5H6119.1°120.0°
CAKCAJCALH7102.7°180.0°
CAKCAJCALH8138.1°60.0°
CALCAOCBCCAN60.9°59.9°
CALCAOCBCNBD161.4°180.0°
CALCAOCBCH9120.4°120.0°
CALCAOCBCH10120.4°120.1°
CAOCALCAJH5102.5°60.0°
CAOCALCAJH6138.0°180.0°
CAOCALH7H8118.8°120.0°
CALCAOH9H10118.7°120.1°
CALCAOCBCH1149.3°60.0°
CANCBCNBDCAO134.2°120.0°
CANCBCNBDH11114.0°120.0°
CANCBCCAOH11110.2°120.0°
CBCCANCAKH1120.4°120.0°
CBCCANCAKH2120.4°120.0°
CANCBCNBDCAQ26.2°170.0°
CBCCANH1H2118.8°120.0°
CBCCANCAKH3161.4°180.0°
CBCCANCAKH479.6°60.0°
CANCBCCAOH959.5°60.0°
CANCBCCAOH10178.7°180.0°
NBDCBCCAOH11112.1°120.0°
NBDCBCCANCAK153.6°180.0°
CBCNBDCAQCAX99.3°75.8°
NBDCBCCANH133.2°60.0°
NBDCBCCANH286.1°60.0°
NBDCBCCAOH978.1°60.0°
NBDCBCCAOH1041.1°60.0°
CBCNBDCAMH1383.1°44.3°
CBCNBDCAMH14159.7°75.6°
CBCNBDCAQH18139.0°164.2°
CBCNBDCAQH1922.5°44.2°
CAOCBCCANCAK18.0°60.0°
CAOCBCNBDCAQ160.3°70.0°
CAOCBCCANH1102.4°180.0°
CAOCBCCANH2138.4°60.0°
CBCCAOCALH7161.5°180.0°
CBCCAOCALH879.3°60.1°
CBCCAOH9H10118.7°120.0°
CAKCANH1H2118.8°120.1°
CANCAKH3H4118.5°120.0°
CANCAKCAJH559.2°60.0°
CANCAKCAJH6178.6°180.0°
CAKCANCBCH1192.2°60.0°
NBDCAQCAXH18121.7°120.0°
NBDCAQCAXH19121.8°120.1°
NBDCAQCAXCAG92.0°84.9°
NBDCAQCAXCAF102.3°95.3°
CAQNBDCBCH1187.8°50.0°
CAQNBDCAMH13147.5°168.3°
CAQNBDCAMH1430.3°48.3°
NBDCAQH18H19114.4°120.0°
CAQCAXCAGCAF166.1°179.8°
CAQCAXCAGCAE173.2°179.9°
CAQCAXCAFCAD172.4°180.0°
CAXCAQH18H19114.3°119.9°
CAQCAXCAGH206.8°0.0°
CAQCAXCAFH227.6°0.1°
CAXCAGCAEH20180.0°179.9°
CAGCAXCAFCAD6.6°0.2°
CAXCAGCAECAW3.3°0.1°
CAGCAXCAQH18146.3°35.2°
CAGCAXCAQH1929.8°155.1°
CAXCAGCAEH21176.7°180.0°
CAGCAXCAFH22173.4°179.7°
CAFCAXCAGCAE7.2°0.3°
CAXCAFCADH22180.0°179.9°
CAXCAFCADCAW2.4°0.1°
CAFCAXCAQH1819.5°144.6°
CAFCAXCAQH19136.0°24.7°
CAFCAXCAGH20172.9°179.8°
CAXCAFCADH23177.7°180.0°
CAGCAECAWH21180.0°180.0°
CAGCAECAWCAD1.1°0.2°
CAGCAECAWCAP177.2°180.0°
CAFCADCAWCAE1.6°0.3°
CAFCADCAWH23180.0°180.0°
CAFCADCAWCAP177.5°180.0°
CAECAWCADCAP175.9°179.8°
CAECAWCAPNAS95.6°90.0°
CAWCAECAGH20176.7°180.0°
CAECAWCADH23178.4°179.8°
CAECAWCAPH24143.8°150.0°
CAECAWCAPH2525.0°30.1°
CADCAWCAPNAS88.5°89.7°
CADCAWCAEH21178.9°179.8°
CAWCADCAFH22177.6°179.9°
CADCAWCAPH2432.2°30.2°
CADCAWCAPH25150.9°150.2°
CAWCAPNASH24120.6°119.9°
CAWCAPNASH25120.6°120.0°
CAWCAPNASCAV133.8°180.0°
CAPCAWCAEH212.8°0.0°
CAPCAWCADH232.5°0.0°
CAWCAPH24H25118.0°119.9°
CAWCAPNASH2646.2°0.0°
CAPNASCAVH26180.0°180.0°
CAPNASCAVOAB3.5°0.0°
CAPNASCAVCAY177.4°180.0°
NASCAPH24H25118.0°120.1°
NASCAVOABCAY174.0°180.0°
NASCAVCAYCBB1.0°180.0°
NASCAVCAYCAI176.0°0.3°
CAVNASCAPH2413.1°60.1°
CAVNASCAPH25105.6°60.0°
OABCAVCAYCBB174.9°0.0°
OABCAVCAYCAI2.1°179.7°
OABCAVNASH26176.5°180.0°
OACCAZCBBNAT178.1°180.0°
OACCAZCBBCAY2.6°0.1°
OACCAZCBBCBA179.7°180.0°
OACCAZNATCAH177.9°180.0°
OACCAZNATH302.1°0.0°
CAVCAYCBBCAZ5.2°0.0°
CAVCAYCBBCAI177.1°179.7°
CAVCAYCBBCBA177.1°179.9°
CAVCAYCAISAU176.0°179.9°
CAYCAVNASH262.6°0.0°
CAVCAYCAIH294.0°0.1°
CAZCBBCAYCBA177.7°179.9°
CAZCBBCAYCAI177.7°179.7°
CBBCAZNATCAH3.9°0.0°
CAZCBBCBASAU179.9°180.0°
CAZCBBCBANAR0.4°0.1°
CBBCAZNATH30176.1°179.9°
NATCAZCBBCAY179.3°180.0°
NATCAZCBBCBA1.7°0.0°
CAZNATCAHH30180.0°180.0°
CAZNATCAHNAR3.7°0.0°
CAZNATCAHH27176.3°180.0°
CBBCAYCAISAU1.6°0.3°
CAYCBBCBASAU1.7°0.0°
CAYCBBCBANAR177.8°180.0°
CBBCAYCAIH29178.4°179.8°
CAICAYCBBCBA0.0°0.2°
CAYCAISAUH29180.0°179.9°
CAYCAISAUCBA2.3°0.3°
CBBCBASAUCAI2.3°0.2°
CBBCBASAUNAR179.5°179.9°
CBBCBANARCAH0.4°0.1°
NATCAHNARCBA1.6°0.1°
NATCAHNARH27180.0°180.0°
CAISAUCBANAR177.2°179.9°
SAUCBANARCAH179.8°180.0°
CBASAUCAIH29177.7°179.8°
CBANARCAHH27178.4°180.0°
NARCAHNATH30176.3°179.9°
H1CANCAKH378.2°60.0°
H1CANCAKH440.8°60.0°
H1CANCBCH11147.4°60.0°
H2CANCAKH341.1°60.0°
H2CANCAKH4160.1°180.0°
H2CANCBCH1128.2°180.0°
H3CAKCAJH561.3°59.9°
H3CAKCAJH658.1°60.1°
H4CAKCAJH5179.6°180.0°
H4CAKCAJH660.9°59.9°
H5CAJCALH7137.1°59.9°
H5CAJCALH817.9°180.0°
H6CAJCALH717.6°60.1°
H6CAJCALH8101.6°59.9°
H7CALCAOH941.0°60.1°
H7CALCAOH1078.1°60.0°
H8CALCAOH9160.2°180.0°
H8CALCAOH1041.1°60.0°
H9CAOCBCH11169.8°180.0°
H10CAOCBCH1171.1°60.0°
H13CAMCAAH1558.6°62.4°
H13CAMCAAH1661.4°177.6°
H13CAMCAAH17178.6°57.6°
H14CAMCAAH1558.6°57.6°
H14CAMCAAH16178.6°62.5°
H14CAMCAAH1761.4°177.5°
H15CAAH16H17120.0°119.9°
H20CAGCAEH213.3°0.1°
H22CAFCADH232.3°0.1°
H24CAPNASH26166.9°120.0°
H25CAPNASH2674.4°120.0°
H27CAHNATH303.7°0.0°

222624

PDB entries from 2024-07-17

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