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PRD_001114

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CCAsing1.53Å1.52Å
COsing1.43Å1.24Å
CHsing1.09Å1.10Å
CBANsing1.35Å1.34Å
NCAsing1.47Å1.46Å
NHNsing0.97Å1.00Å
CACBsing1.53Å1.55Å
CAHAsing1.09Å1.10Å
CBCGsing1.51Å1.53Å
CBHBsing1.09Å1.10Å
CBHBAsing1.09Å1.10Å
CGCD1doub1.38Å1.41ÅAromatic
CGCD2sing1.38Å1.40ÅAromatic
CE1CZdoub1.38Å1.40ÅAromatic
CZCE2sing1.38Å1.41ÅAromatic
CZHZsing1.08Å1.08Å
OABCAZdoub1.22Å1.23Å
CBAOACdoub1.21Å1.23Å
CAZCAEsing1.46Å1.52Å
CAFCAEdoub1.35Å1.51Å
CAEHAEsing1.08Å1.08Å
CH1sing1.09Å1.10Å
CAFCBBsing1.47Å1.51Å
CAFHAFsing1.08Å1.08Å
OHOsing0.97Å0.95Å
CAKCAGdoub1.38Å1.39ÅAromatic
CAGCAJsing1.38Å1.40ÅAromatic
CAGHAGsing1.08Å1.08Å
CAOCAIdoub1.38Å1.40ÅAromatic
CAICANsing1.38Å1.40ÅAromatic
CAIHAIsing1.08Å1.08Å
CAPCAJdoub1.38Å1.39ÅAromatic
CAJHAJsing1.08Å1.08Å
CAQCAKsing1.38Å1.40ÅAromatic
CAKHAKsing1.08Å1.08Å
CANCATdoub1.38Å1.39ÅAromatic
CANHANsing1.08Å1.08Å
CAOCAUsing1.38Å1.39ÅAromatic
CAOHAOsing1.08Å1.08Å
CBBCAPsing1.40Å1.39ÅAromatic
CAPHAPsing1.08Å1.08Å
CAQCBBdoub1.40Å1.40ÅAromatic
CAQHAQsing1.08Å1.08Å
CBDCATsing1.38Å1.40ÅAromatic
CATHATsing1.08Å1.08Å
CAUCBDdoub1.38Å1.40ÅAromatic
CAUHAUsing1.08Å1.08Å
CBDCAWsing1.51Å1.50Å
CAWCBFsing1.53Å1.52Å
CAWHAWsing1.09Å1.10Å
CAWHAWAsing1.09Å1.10Å
CBFNAYsing1.47Å1.46Å
NAYCAZsing1.35Å1.35Å
NAYHNAYsing0.97Å1.00Å
CBFCBAsing1.51Å1.50Å
CBFHBFsing1.09Å1.10Å
CD1CE1sing1.38Å1.40ÅAromatic
CD1HD1sing1.08Å1.08Å
CD2CE2doub1.38Å1.41ÅAromatic
CD2HD2sing1.08Å1.08Å
CE1HE1sing1.08Å1.08Å
CE2HE2sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CACO117.8°109.5°
CACH106.8°109.5°
CCAN114.5°109.4°
CCACB110.9°109.5°
CCAHA103.2°109.5°
CACH1106.8°109.5°
OCH106.8°109.4°
OCH1106.8°109.5°
COHO109.5°114.0°
HCH1112.0°109.5°
CBANCA125.1°120.0°
CBANHN117.5°120.0°
NCBAOAC125.1°120.0°
NCBACBF114.0°120.0°
CANHN117.4°120.0°
NCACB102.9°109.5°
NCAHA111.1°109.4°
CBCAHA114.7°109.5°
CACBCG120.3°109.5°
CACBHB106.0°109.5°
CACBHBA106.0°109.5°
CGCBHB106.0°109.4°
CGCBHBA106.0°109.5°
CBCGCD1117.1°120.0°
CBCGCD2123.2°120.0°
HBCBHBA112.7°109.5°
CD1CGCD2119.6°120.0°
CGCD1CE1120.4°120.0°
CGCD1HD1119.8°120.0°
CGCD2CE2120.3°120.0°
CGCD2HD2119.8°120.0°
CE1CZCE2120.7°120.0°
CE1CZHZ119.6°120.0°
CZCE1CD1119.5°120.0°
CZCE1HE1120.2°120.0°
CE2CZHZ119.6°120.0°
CZCE2CD2119.4°120.0°
CZCE2HE2120.3°120.0°
OABCAZCAE121.8°120.0°
OABCAZNAY122.0°120.0°
OACCBACBF120.8°120.0°
CAZCAECAF112.6°120.0°
CAZCAEHAE123.7°120.0°
CAECAZNAY116.3°120.0°
CAFCAEHAE123.7°120.0°
CAECAFCBB113.6°120.0°
CAECAFHAF123.2°120.0°
CBBCAFHAF123.2°120.0°
CAFCBBCAP121.5°120.2°
CAFCBBCAQ118.4°120.1°
CAKCAGCAJ119.5°120.4°
CAKCAGHAG120.3°119.8°
CAGCAKCAQ119.8°120.2°
CAGCAKHAK120.1°119.9°
CAJCAGHAG120.3°119.8°
CAGCAJCAP121.3°120.1°
CAGCAJHAJ119.4°119.9°
CAOCAICAN121.7°120.0°
CAOCAIHAI119.1°120.0°
CAICAOCAU119.2°120.0°
CAICAOHAO120.4°120.0°
CANCAIHAI119.1°120.0°
CAICANCAT118.5°120.0°
CAICANHAN120.8°120.0°
CAPCAJHAJ119.3°119.9°
CAJCAPCBB119.0°119.9°
CAJCAPHAP120.5°120.1°
CAQCAKHAK120.1°119.9°
CAKCAQCBB120.3°119.8°
CAKCAQHAQ119.9°120.1°
CATCANHAN120.7°120.0°
CANCATCBD120.0°120.0°
CANCATHAT120.0°120.1°
CAUCAOHAO120.4°120.0°
CAOCAUCBD119.5°120.0°
CAOCAUHAU120.2°120.1°
CBBCAPHAP120.5°120.0°
CAPCBBCAQ120.1°119.7°
CBBCAQHAQ119.8°120.1°
CBDCATHAT120.0°119.9°
CATCBDCAU121.0°120.0°
CATCBDCAW119.3°120.0°
CBDCAUHAU120.3°120.0°
CAUCBDCAW119.8°120.0°
CBDCAWCBF106.5°109.4°
CBDCAWHAW110.5°109.5°
CBDCAWHAWA110.5°109.5°
CBFCAWHAW110.5°109.5°
CBFCAWHAWA110.5°109.5°
CAWCBFNAY107.1°109.5°
CAWCBFCBA111.0°109.5°
CAWCBFHBF107.9°109.5°
HAWCAWHAWA108.4°109.5°
CBFNAYCAZ119.6°120.0°
CBFNAYHNAY120.2°120.0°
NAYCBFCBA102.1°109.4°
NAYCBFHBF116.0°109.5°
CAZNAYHNAY120.2°120.0°
CBACBFHBF112.5°109.4°
CE1CD1HD1119.8°120.0°
CD1CE1HE1120.3°120.0°
CE2CD2HD2119.9°120.0°
CD2CE2HE2120.3°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CACOH120.0°120.0°
CACOH1120.0°120.1°
CACHH1116.6°120.0°
CCANCBA64.1°85.0°
CCANCB120.5°120.0°
CCANHA116.3°120.0°
CCANHN115.9°95.0°
CCACBHA116.3°120.1°
CCACBCG163.6°175.0°
CCACBHB76.4°65.0°
CCACBHBA43.6°55.0°
CACOHO180.0°180.0°
OCHH1116.6°120.0°
OCCAN169.9°65.0°
OCCACB74.2°54.9°
OCCAHA49.0°175.0°
HCCAN70.1°175.0°
HCCACB45.8°65.0°
HCCAHA169.0°55.1°
HCOHO60.0°60.1°
CBANCAHN180.0°180.0°
CBANCACB175.4°155.0°
CBANCAHA52.2°35.0°
NCBAOACCBF176.9°180.0°
NCBACBFCAW169.5°60.0°
NCBACBFNAY76.6°180.0°
NCBACBFHBF48.5°60.0°
NCACBHA120.8°120.0°
NCACBCG73.5°65.0°
NCACBHB46.5°55.0°
NCACBHBA166.5°175.0°
CANCBAOAC0.8°0.0°
NCACH149.9°55.0°
CANCBACBF176.2°180.0°
HNNCACB4.6°25.0°
HNNCAHA127.8°145.0°
HNNCBAOAC179.1°180.0°
HNNCBACBF3.8°0.0°
CACBCGHB120.0°120.0°
CACBCGHBA120.0°120.0°
CACBHBHBA115.5°120.0°
CACBCGCD1176.4°90.0°
CACBCGCD25.2°90.3°
CBCACH1165.8°175.0°
HACACBCG47.3°55.0°
HACACBHB167.3°174.9°
HACACBHBA72.7°65.1°
HACACH171.0°65.0°
CGCBHBHBA115.5°120.0°
CBCGCD1CD2178.4°179.8°
CBCGCD1CE1178.0°180.0°
CBCGCD1HD12.0°0.0°
CBCGCD2CE2179.0°180.0°
CBCGCD2HD21.0°0.0°
HBCBCGCD156.5°30.0°
HBCBCGCD2125.2°149.8°
HBACBCGCD163.6°150.0°
HBACBCGCD2114.8°29.8°
CGCD1CE1CZ1.0°0.0°
CGCD1CE1HD1180.0°180.0°
CD1CGCD2CE20.7°0.3°
CD1CGCD2HD2179.3°179.7°
CGCD1CE1HE1179.0°179.9°
CGCD2CE2CZ1.1°0.0°
CD2CGCD1CE10.4°0.3°
CD2CGCD1HD1179.6°179.8°
CGCD2CE2HD2180.0°180.0°
CGCD2CE2HE2178.9°179.7°
CE1CZCE2HZ180.0°179.8°
CZCE1CD1HE1180.0°179.9°
CZCE1CD1HD1179.0°180.0°
CE1CZCE2CD20.4°0.2°
CE1CZCE2HE2179.5°180.0°
CE2CZCE1CD10.6°0.2°
CZCE2CD2HE2180.0°179.8°
CZCE2CD2HD2178.9°180.0°
CE2CZCE1HE1179.4°179.7°
HZCZCE1CD1179.4°180.0°
HZCZCE2CD2179.6°180.0°
HZCZCE1HE10.6°0.1°
HZCZCE2HE20.4°0.3°
OABCAZCAENAY179.6°180.0°
OABCAZCAECAF57.0°0.1°
OABCAZCAEHAE123.0°180.0°
OABCAZNAYCBF2.5°0.0°
OABCAZNAYHNAY177.5°180.0°
OACCBACBFCAW13.3°120.0°
OACCBACBFNAY100.6°0.0°
OACCBACBFHBF134.3°120.0°
CAZCAECAFHAE180.0°179.9°
CAZCAECAFCBB159.5°180.0°
CAZCAECAFHAF20.5°0.1°
CAECAZNAYCBF177.1°180.0°
CAECAZNAYHNAY2.8°0.0°
CAECAFCBBHAF180.0°179.9°
CAECAFCBBCAP10.5°0.8°
CAECAFCBBCAQ170.0°180.0°
CAFCAECAZNAY123.4°179.9°
HAECAECAFCBB20.5°0.1°
HAECAECAFHAF159.5°180.0°
HAECAECAZNAY56.6°0.0°
H1COHO60.0°59.9°
CAFCBBCAPCAJ179.8°179.8°
CAFCBBCAQCAK179.9°180.0°
CAFCBBCAPCAQ179.5°179.2°
CAFCBBCAPHAP0.2°0.3°
CAFCBBCAQHAQ0.1°0.5°
HAFCAFCBBCAP169.5°179.1°
HAFCAFCBBCAQ10.0°0.0°
CAKCAGCAJHAG180.0°179.7°
CAKCAGCAJCAP0.8°0.3°
CAKCAGCAJHAJ179.2°179.8°
CAGCAKCAQHAK180.0°180.0°
CAGCAKCAQCBB0.5°0.6°
CAGCAKCAQHAQ179.5°180.0°
CAGCAJCAPHAJ180.0°180.0°
CAJCAGCAKCAQ0.6°0.0°
CAJCAGCAKHAK179.4°180.0°
CAGCAJCAPCBB0.8°0.0°
CAGCAJCAPHAP179.2°180.0°
HAGCAGCAJCAP179.2°180.0°
HAGCAGCAJHAJ0.8°0.0°
HAGCAGCAKCAQ179.4°179.7°
HAGCAGCAKHAK0.7°0.2°
CAOCAICANHAI180.0°179.6°
CAOCAICANCAT0.3°0.3°
CAOCAICANHAN179.7°179.8°
CAICAOCAUHAO180.0°180.0°
CAICAOCAUCBD0.8°0.5°
CAICAOCAUHAU179.2°180.0°
CAICANCATHAN180.0°179.9°
CANCAICAOCAU1.0°0.0°
CANCAICAOHAO179.0°179.9°
CAICANCATCBD0.5°0.0°
CAICANCATHAT179.4°180.0°
HAICAICANCAT179.7°179.9°
HAICAICANHAN0.3°0.1°
HAICAICAOCAU179.0°179.7°
HAICAICAOHAO1.0°0.3°
CAJCAPCBBHAP180.0°179.9°
CAJCAPCBBCAQ0.7°0.6°
HAJCAJCAPCBB179.2°179.9°
HAJCAJCAPHAP0.8°0.0°
CAKCAQCBBCAP0.6°0.8°
CAKCAQCBBHAQ180.0°179.5°
HAKCAKCAQCBB179.5°179.5°
HAKCAKCAQHAQ0.5°0.0°
CANCATCBDHAT180.0°180.0°
CANCATCBDCAU0.7°0.6°
CANCATCBDCAW179.7°179.7°
HANCANCATCBD179.5°179.9°
HANCANCATHAT0.5°0.1°
CAOCAUCBDCAT0.0°0.9°
CAOCAUCBDHAU180.0°179.4°
CAOCAUCBDCAW179.6°180.0°
HAOCAOCAUCBD179.2°179.5°
HAOCAOCAUHAU0.8°0.0°
CAPCBBCAQHAQ179.4°179.7°
HAPCAPCBBCAQ179.3°179.5°
CATCBDCAUCAW179.6°179.1°
CATCBDCAUHAU180.0°179.7°
CATCBDCAWCBF100.1°90.8°
CATCBDCAWHAW139.9°29.1°
CATCBDCAWHAWA19.9°149.2°
HATCATCBDCAU179.3°179.4°
HATCATCBDCAW0.3°0.3°
CAUCBDCAWCBF79.5°90.0°
CAUCBDCAWHAW40.5°150.0°
CAUCBDCAWHAWA160.5°30.0°
HAUCAUCBDCAW0.4°0.6°
CBDCAWCBFHAW120.0°120.0°
CBDCAWCBFHAWA120.0°120.0°
CBDCAWHAWHAWA121.2°120.0°
CBDCAWCBFNAY87.6°65.0°
CBDCAWCBFCBA161.8°175.0°
CBDCAWCBFHBF38.0°55.0°
CBFCAWHAWHAWA121.2°120.0°
CAWCBFNAYCBA116.7°120.0°
CAWCBFNAYHBF120.6°120.1°
CAWCBFNAYCAZ150.2°85.0°
CAWCBFNAYHNAY29.8°94.9°
CAWCBFCBAHBF121.0°120.0°
HAWCAWCBFNAY152.4°175.0°
HAWCAWCBFCBA41.8°55.0°
HAWCAWCBFHBF82.0°65.0°
HAWACAWCBFNAY32.4°55.0°
HAWACAWCBFCBA78.2°65.0°
HAWACAWCBFHBF158.0°175.0°
CBFNAYCAZHNAY180.0°180.0°
NAYCBFCBAHBF125.1°120.0°
CAZNAYCBFCBA93.1°155.0°
CAZNAYCBFHBF29.6°35.0°
HNAYNAYCBFCBA86.9°25.0°
HNAYNAYCBFHBF150.4°145.0°
HD1CD1CE1HE11.0°0.1°
HD2CD2CE2HE21.1°0.2°

224931

PDB entries from 2024-09-11

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