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PP6

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OIC12doub1.21Å1.26Å
C1C2doub1.36Å1.37ÅAromatic
C1C6sing1.40Å1.45ÅAromatic
C1C11sing1.50Å1.53Å
C2C3sing1.39Å1.41ÅAromatic
C2H2sing1.08Å1.10Å
C3C4doub1.36Å1.37ÅAromatic
C3H3sing1.08Å1.10Å
C4C5sing1.40Å1.45ÅAromatic
C4H4sing1.08Å1.10Å
C5C6doub1.42Å1.42ÅAromatic
C5C10sing1.41Å1.43ÅAromatic
C6C7sing1.41Å1.43ÅAromatic
C7C8doub1.35Å1.39ÅAromatic
C7H7sing1.08Å1.10Å
C8C9sing1.40Å1.42ÅAromatic
C8C13sing1.50Å1.52Å
C9C10doub1.36Å1.38ÅAromatic
C9H9sing1.08Å1.10Å
C10H10sing1.08Å1.10Å
C11C12sing1.51Å1.52Å
C11H111sing1.09Å1.12Å
C11H112sing1.09Å1.12Å
C12NVsing1.37Å1.33Å
C13C14sing1.52Å1.57Å
C13H131sing1.09Å1.11Å
C13H132sing1.10Å1.12Å
C14NLsing1.48Å1.48Å
C14Psing1.82Å1.81Å
C14H14sing1.10Å1.11Å
NVCAVsing1.48Å1.47Å
NVHNVsing0.99Å1.02Å
CAVCVsing1.51Å1.56Å
CAVCBVsing1.52Å1.51Å
CAVHAVsing1.11Å1.11Å
CVOVdoub1.22Å1.25Å
CVNLsing1.36Å1.33Å
CBVCV1sing1.53Å1.53Å
CBVCV2sing1.53Å1.55Å
CBVHBVsing1.09Å1.11Å
CV1HV11sing1.09Å1.12Å
CV1HV12sing1.09Å1.11Å
CV1HV13sing1.09Å1.12Å
CV2HV21sing1.09Å1.12Å
CV2HV22sing1.09Å1.12Å
CV2HV23sing1.09Å1.12Å
NLHNLsing0.97Å1.02Å
POdoub1.54Å1.48Å
POHsing1.54Å1.46Å
POPsing1.61Å1.57Å
CACBsing1.53Å1.54Å
CACsing1.51Å1.53Å
CAOPsing1.43Å1.42Å
CAHAsing1.09Å1.11Å
CBCGsing1.51Å1.49Å
CBHB1sing1.09Å1.11Å
CBHB2sing1.09Å1.12Å
CGCD1doub1.38Å1.38ÅAromatic
CGCD2sing1.38Å1.37ÅAromatic
CD1CE1sing1.38Å1.38ÅAromatic
CD1HD1sing1.08Å1.10Å
CD2CE2doub1.38Å1.38ÅAromatic
CD2HD2sing1.08Å1.10Å
CE1CZdoub1.38Å1.39ÅAromatic
CE1HE1sing1.08Å1.10Å
CE2CZsing1.38Å1.39ÅAromatic
CE2HE2sing1.08Å1.10Å
CZHZsing1.08Å1.10Å
COSsing1.34Å1.32Å
COEdoub1.21Å1.21Å
CSOSsing1.45Å1.45Å
CSHS1sing1.09Å1.11Å
CSHS2sing1.09Å1.11Å
CSHS3sing1.09Å1.11Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OIC12C11113.7°118.7°
OIC12NV124.4°124.0°
C2C1C6118.0°119.4°
C2C1C11119.0°119.3°
C1C2C3122.0°121.2°
C1C2H2117.7°119.3°
C6C1C11122.4°121.3°
C1C6C5119.8°119.3°
C1C6C7121.4°121.7°
C1C11C12114.9°109.9°
C1C11H111110.2°109.5°
C1C11H112110.2°109.6°
C3C2H2120.3°119.5°
C2C3C4121.8°120.9°
C2C3H3120.4°119.6°
C4C3H3117.8°119.5°
C3C4C5118.5°119.5°
C3C4H4118.2°120.2°
C5C4H4123.3°120.2°
C4C5C6119.5°119.6°
C4C5C10122.5°121.3°
C6C5C10117.9°119.1°
C5C6C7118.7°119.1°
C5C10C9122.4°119.8°
C5C10H10120.7°120.0°
C6C7C8122.0°120.4°
C6C7H7120.5°118.6°
C8C7H7117.5°120.9°
C7C8C9119.2°120.1°
C7C8C13120.2°122.5°
C9C8C13120.4°117.5°
C8C9C10119.7°121.3°
C8C9H9121.5°119.0°
C8C13C14110.5°113.0°
C8C13H131111.8°109.0°
C8C13H132111.8°108.8°
C10C9H9118.8°119.7°
C9C10H10116.9°120.1°
C12C11H111110.3°109.0°
C12C11H112110.2°109.1°
C11C12NV121.4°117.3°
H111C11H112100.0°109.7°
C12NVCAV126.5°118.4°
C12NVHNV110.8°120.5°
C14C13H131111.9°109.2°
C14C13H132111.8°108.9°
C13C14NL111.3°110.3°
C13C14P108.9°109.8°
C13C14H14108.8°108.8°
H131C13H13298.6°107.9°
NLC14P109.8°110.6°
NLC14H14107.8°108.7°
C14NLCV121.5°116.6°
C14NLHNL124.6°121.4°
PC14H14110.3°108.6°
C14PO109.6°109.5°
C14POH112.4°109.5°
C14POP102.3°109.5°
CAVNVHNV122.6°121.1°
NVCAVCV98.5°108.6°
NVCAVCBV115.6°113.2°
NVCAVHAV115.6°108.1°
CVCAVCBV116.6°111.5°
CVCAVHAV114.6°107.5°
CAVCVOV115.3°119.6°
CAVCVNL118.7°119.7°
CBVCAVHAV97.1°107.8°
CAVCBVCV1105.8°109.5°
CAVCBVCV2104.9°109.5°
CAVCBVHBV116.3°109.5°
OVCVNL126.0°120.7°
CVNLHNL114.0°122.0°
CV1CBVCV2114.0°109.4°
CV1CBVHBV107.6°109.5°
CBVCV1HV11105.8°109.5°
CBVCV1HV12113.5°109.5°
CBVCV1HV13113.6°109.5°
CV2CBVHBV108.5°109.5°
CBVCV2HV21104.9°109.5°
CBVCV2HV22114.0°109.4°
CBVCV2HV23114.0°109.5°
HV11CV1HV12113.7°109.5°
HV11CV1HV13113.6°109.5°
HV12CV1HV1396.9°109.5°
HV21CV2HV22113.9°109.5°
HV21CV2HV23113.9°109.5°
HV22CV2HV2396.4°109.5°
OPOH112.5°109.5°
OPOP105.3°109.5°
OHPOP114.0°109.5°
POPCA122.6°106.8°
CBCAC110.1°109.4°
CBCAOP110.8°109.5°
CBCAHA105.5°109.4°
CACBCG114.0°109.5°
CACBHB1110.5°109.4°
CACBHB2110.5°109.5°
CCAOP99.7°109.5°
CCAHA115.8°109.5°
CACOS105.0°120.1°
CACOE128.0°120.0°
OPCAHA115.0°109.5°
CGCBHB1110.5°109.4°
CGCBHB2110.5°109.5°
CBCGCD1121.4°120.0°
CBCGCD2119.6°120.0°
HB1CBHB299.8°109.5°
CD1CGCD2119.0°120.0°
CGCD1CE1120.4°120.0°
CGCD1HD1119.8°120.0°
CGCD2CE2121.5°120.0°
CGCD2HD2118.8°120.0°
CE1CD1HD1119.8°120.0°
CD1CE1CZ120.4°120.1°
CD1CE1HE1119.3°120.0°
CE2CD2HD2119.7°120.0°
CD2CE2CZ119.5°120.0°
CD2CE2HE2120.0°120.0°
CZCE1HE1120.3°120.0°
CE1CZCE2118.5°119.9°
CE1CZHZ120.8°120.0°
CZCE2HE2120.5°120.0°
CE2CZHZ120.7°120.0°
OSCOE123.0°120.0°
COSCS114.9°120.0°
OSCSHS1114.9°109.5°
OSCSHS2110.2°109.5°
OSCSHS3110.2°109.5°
HS1CSHS2110.3°109.4°
HS1CSHS3110.3°109.5°
HS2CSHS3100.0°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OIC12C11C1166.7°15.7°
OIC12C11NV172.5°178.7°
OIC12C11H11141.4°135.6°
OIC12C11H11268.0°104.6°
OIC12NVCAV6.6°20.9°
OIC12NVHNV173.3°158.9°
C2C1C6C11170.6°179.9°
C1C2C3H2180.0°180.0°
C1C2C3C45.7°0.5°
C1C2C3H3174.3°179.7°
C2C1C6C51.4°2.6°
C2C1C6C7177.5°177.5°
C2C1C11C12114.0°130.6°
C2C1C11H111120.7°109.8°
C2C1C11H11211.3°10.6°
C6C1C2C34.5°0.9°
C6C1C2H2175.5°179.1°
C1C6C5C46.2°2.9°
C1C6C5C7176.2°179.9°
C1C6C5C10177.4°177.0°
C1C6C7C8175.0°174.1°
C1C6C7H75.0°7.2°
C6C1C11C1256.5°49.3°
C6C1C11H11168.8°70.3°
C6C1C11H112178.2°169.3°
C11C1C2C3175.4°179.0°
C11C1C2H24.6°1.0°
C11C1C6C5169.2°177.3°
C11C1C6C77.0°2.6°
C1C11C12H111125.3°120.0°
C1C11C12H112125.3°120.3°
C1C11H111H112116.0°120.3°
C1C11C12NV5.7°165.7°
C2C3C4H3180.0°179.9°
C2C3C4C50.6°0.1°
C2C3C4H4179.4°179.8°
H2C2C3C4174.4°179.5°
H2C2C3H35.7°0.4°
C3C4C5H4179.9°179.9°
C3C4C5C65.2°1.6°
C3C4C5C10178.6°178.3°
H3C3C4C5179.4°180.0°
H3C3C4H40.6°0.1°
C4C5C6C10176.4°179.9°
C4C5C6C7177.5°177.2°
C4C5C10C9179.6°179.4°
C4C5C10H100.4°0.7°
H4C4C5C6174.8°178.5°
H4C4C5C101.4°1.6°
C5C6C7C81.2°5.8°
C5C6C7H7178.8°172.9°
C6C5C10C93.3°0.5°
C6C5C10H10176.7°179.4°
C10C5C6C71.2°2.9°
C5C10C9C83.0°1.2°
C5C10C9H10180.0°179.9°
C5C10C9H9177.0°178.9°
C6C7C8H7180.0°178.6°
C6C7C8C91.6°5.1°
C6C7C8C13173.1°175.9°
C7C8C9C13174.7°179.0°
C7C8C9C100.4°1.6°
C7C8C9H9179.6°178.3°
C7C8C13C1484.5°3.0°
C7C8C13H131150.2°118.7°
C7C8C13H13240.7°124.0°
H7C7C8C9178.4°173.4°
H7C7C8C136.9°5.5°
C8C9C10H9180.0°180.0°
C8C9C10H10177.0°178.7°
C9C8C13C1490.1°178.1°
C9C8C13H13135.2°60.3°
C9C8C13H132144.6°57.1°
C13C8C9C10175.2°179.4°
C13C8C9H94.9°0.7°
C8C13C14H131125.3°121.5°
C8C13C14H132125.2°121.0°
C8C13H131H132117.7°117.9°
C8C13C14NL60.1°45.1°
C8C13C14P178.8°77.1°
C8C13C14H1458.5°164.2°
H9C9C10H103.0°1.3°
C12C11H111H112116.0°119.4°
C11C12NVCAV165.0°160.5°
C11C12NVHNV15.0°19.7°
H111C11C12NV131.1°45.7°
H112C11C12NV119.5°74.1°
C12NVCAVHNV180.0°179.8°
C12NVCAVCV117.6°69.3°
C12NVCAVCBV117.4°55.0°
C12NVCAVHAV5.0°174.3°
C14C13H131H132117.8°118.1°
C13C14NLP120.6°121.6°
C13C14NLH14119.2°119.2°
C13C14PH14119.3°118.8°
C13C14NLCV99.9°179.6°
C13C14NLHNL80.1°1.7°
C13C14PO52.6°56.1°
C13C14POH73.3°176.2°
C13C14POP163.9°63.8°
H131C13C14NL174.6°166.6°
H131C13C14P53.5°44.5°
H131C13C14H1466.7°74.3°
H132C13C14NL65.1°75.9°
H132C13C14P56.0°162.0°
H132C13C14H14176.2°43.2°
NLC14PH14118.7°119.2°
C14NLCVCAV173.0°166.9°
C14NLCVOV9.6°13.8°
C14NLCVHNL180.0°177.9°
NLC14PO174.6°65.8°
NLC14POH48.7°54.2°
NLC14POP74.0°174.2°
PC14NLCV139.5°58.8°
PC14NLHNL40.5°123.3°
C14POOH125.8°120.0°
C14POOP109.4°120.0°
C14POHOP115.9°120.0°
C14POPCA154.0°175.0°
H14C14NLCV19.3°60.4°
H14C14NLHNL160.7°117.5°
H14C14PO66.7°175.0°
H14C14POH167.4°65.0°
H14C14POP44.7°55.0°
NVCAVCVCBV124.3°125.3°
NVCAVCVHAV123.3°116.7°
NVCAVCBVHAV122.8°119.5°
NVCAVCVOV87.4°118.5°
NVCAVCVNL94.9°62.2°
NVCAVCBVCV1178.7°175.1°
NVCAVCBVCV257.9°55.1°
NVCAVCBVHBV61.9°64.9°
HNVNVCAVCV62.4°110.9°
HNVNVCAVCBV62.6°124.9°
HNVNVCAVHAV175.0°5.5°
CVCAVCBVHAV122.1°117.8°
CAVCVOVNL177.5°179.3°
CVCAVCBVCV166.2°62.2°
CVCAVCBVCV2173.0°177.8°
CVCAVCBVHBV53.2°57.8°
CAVCVNLHNL7.0°15.1°
CBVCAVCVOV36.9°116.2°
CBVCAVCVNL140.8°63.1°
CAVCBVCV1CV2114.7°120.0°
CAVCBVCV1HBV125.0°120.0°
CAVCBVCV2HBV124.9°120.0°
CAVCBVCV1HV11180.0°60.0°
CAVCBVCV1HV1254.7°180.0°
CAVCBVCV1HV1354.8°60.0°
CAVCBVCV2HV21180.0°55.1°
CAVCBVCV2HV2254.7°64.9°
CAVCBVCV2HV2354.7°175.1°
HAVCAVCVOV149.3°1.8°
HAVCAVCVNL28.4°178.9°
HAVCAVCBVCV155.9°55.6°
HAVCAVCBVCV264.9°64.4°
HAVCAVCBVHBV175.3°175.6°
OVCVNLHNL170.4°164.2°
CV1CBVCV2HBV119.8°120.0°
CBVCV1HV11HV12125.2°120.0°
CBVCV1HV11HV13125.2°120.0°
CBVCV1HV12HV13119.5°120.0°
CV1CBVCV2HV2164.8°64.9°
CV1CBVCV2HV2260.6°175.1°
CV1CBVCV2HV23170.0°55.1°
CV2CBVCV1HV1165.3°60.0°
CV2CBVCV1HV12169.4°60.0°
CV2CBVCV1HV1359.9°180.0°
CBVCV2HV21HV22125.4°120.0°
CBVCV2HV21HV23125.3°120.0°
CBVCV2HV22HV23119.9°120.0°
HBVCBVCV1HV1155.1°180.0°
HBVCBVCV1HV1270.3°60.0°
HBVCBVCV1HV13179.8°60.0°
HBVCBVCV2HV2155.1°175.1°
HBVCBVCV2HV22179.6°55.1°
HBVCBVCV2HV2370.2°64.9°
HV11CV1HV12HV13119.5°120.0°
HV21CV2HV22HV23119.7°120.0°
OPOHOP119.8°120.0°
OPOPCA39.5°55.0°
OHPOPCA84.4°65.0°
POPCACB118.6°120.0°
POPCAC125.4°120.0°
POPCAHA0.9°0.1°
CBCACOP116.4°120.0°
CBCACHA119.6°119.9°
CBCAOPHA119.6°119.9°
CACBCGHB1125.3°119.9°
CACBCGHB2125.2°120.1°
CACBHB1HB2116.4°120.1°
CACBCGCD176.6°89.9°
CACBCGCD2105.0°90.3°
CBCACOS64.3°65.0°
CBCACOE138.0°115.1°
CCAOPHA124.5°120.1°
CCACBCG49.0°175.0°
CCACBHB176.3°65.1°
CCACBHB2174.2°54.9°
CACOSOE159.2°180.0°
CACOSCS173.4°180.0°
OPCACBCG60.2°64.9°
OPCACBHB1174.5°55.0°
OPCACBHB265.0°175.0°
OPCACOS179.3°175.0°
OPCACOE21.6°5.0°
HACACBCG174.6°55.0°
HACACBHB149.3°175.0°
HACACBHB260.1°65.0°
HACACOS55.3°55.0°
HACACOE102.4°125.0°
CGCBHB1HB2116.4°120.0°
CBCGCD1CD2178.4°179.7°
CBCGCD1CE1178.6°180.0°
CBCGCD1HD11.4°0.0°
CBCGCD2CE2178.7°179.8°
CBCGCD2HD21.3°0.2°
HB1CBCGCD1158.2°30.0°
HB1CBCGCD220.2°149.8°
HB2CBCGCD148.7°150.0°
HB2CBCGCD2129.7°29.8°
CGCD1CE1HD1180.0°180.0°
CD1CGCD2CE22.8°0.5°
CD1CGCD2HD2177.1°180.0°
CGCD1CE1CZ5.9°0.0°
CGCD1CE1HE1174.1°180.0°
CD2CGCD1CE13.0°0.2°
CD2CGCD1HD1177.0°179.8°
CGCD2CE2HD2180.0°179.5°
CGCD2CE2CZ5.5°0.5°
CGCD2CE2HE2174.5°179.8°
CD1CE1CZHE1180.0°180.0°
CD1CE1CZCE28.4°0.0°
CD1CE1CZHZ171.7°179.9°
HD1CD1CE1CZ174.2°180.0°
HD1CD1CE1HE15.8°0.0°
CD2CE2CZCE18.1°0.2°
CD2CE2CZHE2180.0°179.8°
CD2CE2CZHZ171.9°179.9°
HD2CD2CE2CZ174.5°180.0°
HD2CD2CE2HE25.5°0.2°
CE1CZCE2HZ180.0°179.9°
CE1CZCE2HE2171.9°180.0°
HE1CE1CZCE2171.6°180.0°
HE1CE1CZHZ8.3°0.1°
HE2CE2CZHZ8.1°0.1°
COSCSHS1180.0°60.0°
COSCSHS254.7°60.0°
COSCSHS354.7°180.0°
OECOSCS14.3°0.0°
OSCSHS1HS2125.3°120.0°
OSCSHS1HS3125.3°120.0°
OSCSHS2HS3116.0°120.0°
HS1CSHS2HS3116.1°120.0°

248942

PDB entries from 2026-02-11

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