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IVQ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OAUCAMsing1.44Å1.45Å
OAUCAYsing1.37Å1.36Å
CAMOATsing1.44Å1.45Å
CAYCAJdoub1.38Å1.34ÅAromatic
CAYCAXsing1.40Å1.33ÅAromatic
CAJCBDsing1.40Å1.33ÅAromatic
OATCAXsing1.37Å1.36Å
O2C2doub1.22Å1.23Å
CAXCAIdoub1.38Å1.33ÅAromatic
CALN3sing1.47Å1.48Å
CALCAKsing1.53Å1.54Å
CBDNASsing1.36Å1.34ÅAromatic
CBDCBCdoub1.40Å1.34ÅAromatic
CAFCADdoub1.38Å1.39ÅAromatic
CAFCAHsing1.38Å1.39ÅAromatic
C2N3sing1.35Å1.35Å
C2N1sing1.34Å1.39Å
N3C4sing1.39Å1.34Å
CADCAEsing1.38Å1.39ÅAromatic
NASCAWdoub1.30Å1.34ÅAromatic
N1C6sing1.35Å1.39Å
CAICBCsing1.39Å1.34ÅAromatic
CAHCAVdoub1.38Å1.40ÅAromatic
CAKCAAsing1.53Å1.53Å
CBCNAPsing1.38Å1.32ÅAromatic
C4N9sing1.34Å1.34ÅAromatic
C4C5doub1.39Å1.34ÅAromatic
C6C5sing1.41Å1.34Å
C6O6doub1.22Å1.24Å
N9C8doub1.31Å1.32ÅAromatic
C5N7sing1.38Å1.35ÅAromatic
CAWNAPsing1.36Å1.33ÅAromatic
CAWCANsing1.51Å1.52Å
CAECAGdoub1.38Å1.39ÅAromatic
C8N7sing1.35Å1.32ÅAromatic
C8CANsing1.51Å1.53Å
CAVCAGsing1.38Å1.39ÅAromatic
CAVCAOsing1.51Å1.41Å
N7CAOsing1.47Å1.50Å
N1H1sing0.97Å1.00Å
CAGH2sing1.08Å1.08Å
CAEH3sing1.08Å1.08Å
CADH4sing1.08Å1.08Å
CAFH5sing1.08Å1.08Å
CAHH6sing1.08Å1.08Å
CAOH7sing1.09Å1.10Å
CAOH8sing1.09Å1.10Å
CALH9sing1.09Å1.10Å
CALH10sing1.09Å1.10Å
CAKH11sing1.09Å1.10Å
CAKH12sing1.09Å1.10Å
CAAH13sing1.09Å1.10Å
CAAH14sing1.09Å1.10Å
CAAH15sing1.09Å1.10Å
CANH16sing1.09Å1.10Å
CANH17sing1.09Å1.10Å
NAPH18sing0.97Å1.00Å
CAIH19sing1.08Å1.08Å
CAMH20sing1.09Å1.10Å
CAMH21sing1.09Å1.10Å
CAJH22sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAMOAUCAY102.8°105.5°
OAUCAMOAT105.3°103.9°
OAUCAMH20110.5°110.5°
OAUCAMH21110.5°110.7°
OAUCAYCAJ129.4°131.2°
OAUCAYCAX110.5°108.5°
CAMOATCAX102.4°105.5°
OATCAMH20110.5°110.5°
OATCAMH21110.5°110.5°
CAJCAYCAX120.1°120.3°
CAYCAJCBD120.8°119.9°
CAYCAJH22119.6°120.1°
CAYCAXOAT111.2°108.6°
CAYCAXCAI119.5°120.2°
CAJCBDNAS132.6°133.4°
CAJCBDCBC118.6°119.6°
CBDCAJH22119.6°120.1°
OATCAXCAI129.3°131.2°
O2C2N3120.1°119.2°
O2C2N1120.1°119.2°
CAXCAICBC120.0°119.9°
CAXCAIH19120.0°120.0°
N3CALCAK111.8°109.5°
CALN3C2120.1°119.9°
CALN3C4120.1°119.9°
N3CALH9108.9°109.4°
N3CALH10108.9°109.5°
CALCAKCAA110.6°109.4°
CAKCALH9108.9°109.5°
CAKCALH10108.9°109.4°
CALCAKH11109.2°109.5°
CALCAKH12109.2°109.4°
NASCBDCBC108.9°107.0°
CBDNASCAW105.2°109.7°
CBDCBCCAI121.0°120.1°
CBDCBCNAP108.4°106.0°
CADCAFCAH119.2°120.0°
CAFCADCAE120.5°120.0°
CAFCADH4119.8°120.0°
CADCAFH5120.4°120.0°
CAFCAHCAV120.8°120.0°
CAHCAFH5120.4°120.0°
CAFCAHH6119.6°120.0°
N3C2N1119.7°121.6°
C2N3C4119.8°120.2°
C2N1C6119.0°121.1°
C2N1H1120.5°119.5°
N3C4N9129.4°134.0°
N3C4C5121.7°118.8°
CADCAECAG119.9°120.1°
CADCAEH3120.1°120.0°
CAECADH4119.7°120.1°
NASCAWNAP110.7°110.1°
NASCAWCAN126.8°125.0°
N1C6C5119.1°119.2°
N1C6O6117.9°120.5°
C6N1H1120.5°119.5°
CAICBCNAP130.6°133.9°
CBCCAIH19120.0°120.1°
CAHCAVCAG119.5°120.0°
CAHCAVCAO121.1°119.9°
CAVCAHH6119.6°120.1°
CAACAKH11109.2°109.5°
CAACAKH12109.2°109.5°
CAKCAAH13109.5°109.5°
CAKCAAH14109.5°109.5°
CAKCAAH15109.5°109.5°
CBCNAPCAW106.8°107.2°
CBCNAPH18126.6°126.4°
N9C4C5108.9°107.2°
C4N9C8106.2°109.8°
C4C5C6120.7°119.2°
C4C5N7107.3°106.2°
C5C6O6122.9°120.4°
C6C5N7132.0°134.6°
N9C8N7110.9°109.7°
N9C8CAN125.5°125.1°
C5N7C8106.6°107.0°
C5N7CAO130.1°126.5°
NAPCAWCAN122.5°124.9°
CAWNAPH18126.6°126.4°
CAWCANC8110.0°109.5°
CAWCANH16109.3°109.5°
CAWCANH17109.3°109.5°
CAECAGCAV120.1°120.0°
CAECAGH2120.0°120.0°
CAGCAEH3120.1°120.0°
N7C8CAN123.6°125.2°
C8N7CAO123.4°126.5°
C8CANH16109.3°109.5°
C8CANH17109.3°109.5°
CAGCAVCAO119.3°120.0°
CAVCAGH2119.9°120.0°
CAVCAON7110.4°109.5°
CAVCAOH7109.3°109.5°
CAVCAOH8109.2°109.5°
N7CAOH7109.2°109.4°
N7CAOH8109.2°109.4°
H7CAOH8109.5°109.5°
H9CALH10109.5°109.5°
H11CAKH12109.5°109.5°
H13CAAH14109.5°109.4°
H13CAAH15109.5°109.4°
H14CAAH15109.5°109.4°
H16CANH17109.5°109.5°
H20CAMH21109.5°110.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OAUCAMOATH20119.4°118.6°
OAUCAMOATH21119.4°118.8°
CAMOAUCAYCAJ163.7°162.6°
CAMOAUCAYCAX16.9°17.4°
OAUCAMOATCAX26.6°27.2°
OAUCAMH20H21122.0°123.0°
CAYOAUCAMOAT26.7°27.3°
OAUCAYCAJCAX179.3°180.0°
OAUCAYCAJCBD179.6°180.0°
OAUCAYCAXOAT0.0°0.0°
OAUCAYCAXCAI179.3°179.9°
CAYOAUCAMH20146.1°91.3°
CAYOAUCAMH2192.6°145.9°
OAUCAYCAJH220.4°0.0°
CAMOATCAXCAY16.9°17.3°
CAMOATCAXCAI163.9°162.6°
OATCAMH20H21121.9°122.7°
CAYCAJCBDH22180.0°180.0°
CAJCAYCAXOAT179.4°180.0°
CAJCAYCAXCAI0.2°0.1°
CAYCAJCBDNAS179.1°179.6°
CAYCAJCBDCBC0.2°0.0°
CAXCAYCAJCBD0.3°0.1°
CAYCAXOATCAI179.2°179.9°
CAYCAXCAICBC0.6°0.0°
CAYCAXCAIH19179.4°179.9°
CAXCAYCAJH22179.7°180.0°
CAJCBDNASCBC179.4°179.7°
CAJCBDNASCAW179.2°179.9°
CAJCBDCBCCAI0.2°0.0°
CAJCBDCBCNAP179.9°179.9°
OATCAXCAICBC179.7°179.9°
OATCAXCAIH190.3°0.0°
CAXOATCAMH20146.0°91.3°
CAXOATCAMH2192.7°146.0°
O2C2N3CAL0.7°0.3°
O2C2N3N1179.6°179.4°
O2C2N3C4179.9°180.0°
O2C2N1C6179.7°179.7°
O2C2N1H10.3°0.3°
CAXCAICBCCBD0.6°0.0°
CAXCAICBCH19180.0°180.0°
CAXCAICBCNAP179.6°179.9°
N3CALCAKH9120.3°120.0°
N3CALCAKH10120.4°120.0°
CALN3C2C4179.4°179.7°
CALN3C2N1179.7°179.7°
N3CALCAKCAA66.5°180.0°
CALN3C4N90.0°0.0°
CALN3C4C5179.5°179.7°
N3CALH9H10119.0°120.0°
N3CALCAKH1153.7°60.0°
N3CALCAKH12173.3°60.0°
CAKCALN3C2104.6°89.8°
CAKCALN3C474.7°90.0°
CALCAKCAAH11120.2°120.0°
CALCAKCAAH12120.2°119.9°
CAKCALH9H10118.9°120.0°
CALCAKH11H12119.5°120.0°
CALCAKCAAH13180.0°60.0°
CALCAKCAAH1460.0°180.0°
CALCAKCAAH1560.0°60.0°
NASCBDCBCCAI179.7°179.7°
NASCBDCBCNAP0.5°0.2°
CBDNASCAWNAP0.8°0.4°
CBDNASCAWCAN179.6°179.8°
NASCBDCAJH220.9°0.4°
CBCCBDNASCAW0.2°0.4°
CBDCBCCAINAP179.8°179.9°
CBDCBCNAPCAW0.9°0.0°
CBDCBCNAPH18179.1°180.0°
CBDCBCCAIH19179.4°180.0°
CBCCBDCAJH22179.7°180.0°
CADCAFCAHH5180.0°179.9°
CAFCADCAEH4180.0°179.9°
CADCAFCAHCAV0.3°0.3°
CAFCADCAECAG0.1°0.1°
CAFCADCAEH3179.9°180.0°
CADCAFCAHH6179.7°179.9°
CAHCAFCADCAE0.2°0.1°
CAFCAHCAVH6180.0°179.8°
CAFCAHCAVCAG0.2°0.5°
CAFCAHCAVCAO179.7°180.0°
CAHCAFCADH4179.8°180.0°
N3C2N1C60.1°0.3°
C2N3C4N9179.4°179.7°
C2N3C4C50.1°0.5°
N3C2N1H1179.9°179.7°
C2N3CALH9135.0°30.3°
C2N3CALH1015.7°150.3°
N1C2N3C40.3°0.6°
C2N1C6H1180.0°180.0°
C2N1C6C50.3°0.0°
C2N1C6O6179.5°180.0°
N3C4N9C5179.6°179.8°
N3C4C5C60.3°0.2°
N3C4N9C8179.7°179.7°
N3C4C5N7179.5°179.8°
C4N3CALH945.6°150.0°
C4N3CALH10164.9°30.0°
CADCAECAGH3180.0°179.9°
CADCAECAGCAV0.0°0.4°
CADCAECAGH2180.0°179.9°
CAECADCAFH5179.8°180.0°
NASCAWNAPCBC1.1°0.3°
NASCAWNAPCAN178.9°179.7°
NASCAWCANC821.8°56.0°
NASCAWCANH1698.3°176.0°
NASCAWCANH17141.9°63.9°
NASCAWNAPH18178.9°179.7°
N1C6C5C40.5°0.0°
N1C6C5O6179.2°180.0°
N1C6C5N7179.5°180.0°
CAICBCNAPCAW179.3°180.0°
CAICBCNAPH180.7°0.0°
CAHCAVCAGCAE0.0°0.6°
CAHCAVCAGCAO179.9°179.5°
CAHCAVCAON76.8°95.8°
CAHCAVCAGH2180.0°179.7°
CAVCAHCAFH5179.7°179.8°
CAHCAVCAOH7127.0°144.2°
CAHCAVCAOH8113.3°24.2°
CAACAKCALH9173.2°60.0°
CAACAKCALH1053.9°60.0°
CAACAKH11H12119.5°120.0°
CAKCAAH13H14120.0°120.0°
CAKCAAH13H15120.0°120.1°
CAKCAAH14H15120.0°120.1°
CBCNAPCAWH18180.0°180.0°
CBCNAPCAWCAN179.9°180.0°
NAPCBCCAIH190.4°0.1°
N9C4C5C6179.9°180.0°
N9C4C5N70.8°0.0°
C4N9C8N70.3°0.0°
C4N9C8CAN179.9°180.0°
C4C5C6N7179.1°180.0°
C4C5C6O6179.6°180.0°
C5C4N9C80.7°0.1°
C4C5N7C80.6°0.0°
C4C5N7CAO179.2°180.0°
C6C5N7C8179.8°180.0°
C6C5N7CAO0.1°0.0°
C5C6N1H1179.7°180.0°
O6C6C5N71.3°0.0°
O6C6N1H10.5°0.0°
N9C8N7C50.2°0.0°
N9C8CANCAW60.4°84.9°
N9C8N7CAN179.8°180.0°
N9C8N7CAO179.6°180.0°
N9C8CANH16179.6°155.1°
N9C8CANH1759.7°35.1°
C5N7C8CAO179.9°180.0°
C5N7C8CAN179.6°180.0°
C5N7CAOCAV77.9°92.9°
C5N7CAOH742.3°27.2°
C5N7CAOH8162.0°147.1°
NAPCAWCANC8159.5°124.3°
NAPCAWCANH1680.4°4.3°
NAPCAWCANH1739.5°115.8°
CAWCANC8N7119.9°95.2°
CAWCANC8H16120.1°120.0°
CAWCANC8H17120.1°120.0°
CAWCANH16H17119.7°120.0°
CANCAWNAPH180.1°0.0°
CAECAGCAVH2180.0°179.7°
CAECAGCAVCAO179.8°180.0°
CAGCAECADH4179.9°180.0°
C8N7CAOCAV102.0°87.2°
C8N7CAOH7137.9°152.8°
C8N7CAOH818.2°32.9°
N7C8CANH160.2°24.8°
N7C8CANH17120.1°144.9°
CANC8N7CAO0.5°0.1°
C8CANH16H17119.8°120.0°
CAGCAVCAON7173.0°84.7°
CAVCAGCAEH3180.0°179.8°
CAGCAVCAHH6179.8°179.6°
CAGCAVCAOH752.9°35.2°
CAGCAVCAOH866.8°155.3°
CAVCAON7H7120.1°120.0°
CAVCAON7H8120.1°120.0°
CAOCAVCAGH20.2°0.3°
CAOCAVCAHH60.3°0.2°
CAVCAOH7H8119.6°120.1°
N7CAOH7H8119.6°119.9°
H2CAGCAEH30.0°0.0°
H3CAECADH40.1°0.1°
H4CADCAFH50.2°0.1°
H5CAFCAHH60.3°0.0°
H9CALCAKH1166.7°180.0°
H9CALCAKH1253.0°59.9°
H10CALCAKH11174.0°60.0°
H10CALCAKH1266.3°180.0°
H11CAKCAAH1359.8°60.0°
H11CAKCAAH14179.8°60.0°
H11CAKCAAH1560.1°180.0°
H12CAKCAAH1359.8°180.0°
H12CAKCAAH1460.2°60.0°
H12CAKCAAH15179.8°60.0°
H13CAAH14H15120.0°119.9°

222415

PDB entries from 2024-07-10

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