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PP5

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OIC12doub1.21Å1.23Å
C1C2doub1.36Å1.39ÅAromatic
C1C6sing1.41Å1.46ÅAromatic
C1C11sing1.51Å1.53Å
C2C3sing1.39Å1.42ÅAromatic
C2H2sing1.08Å1.10Å
C3C4doub1.36Å1.39ÅAromatic
C3H3sing1.08Å1.10Å
C4C5sing1.41Å1.45ÅAromatic
C4H4sing1.08Å1.10Å
C5C6doub1.42Å1.43ÅAromatic
C5C10sing1.41Å1.43ÅAromatic
C6C7sing1.41Å1.42ÅAromatic
C7C8doub1.36Å1.39ÅAromatic
C7H7sing1.08Å1.10Å
C8C9sing1.39Å1.41ÅAromatic
C8H8sing1.08Å1.10Å
C9C10doub1.36Å1.38ÅAromatic
C9H9sing1.08Å1.10Å
C10H10sing1.08Å1.10Å
C11C12sing1.51Å1.52Å
C11H111sing1.09Å1.12Å
C11H112sing1.09Å1.11Å
C12NVsing1.35Å1.33Å
C14NLsing1.46Å1.47Å
C14Psing1.82Å1.82Å
C14H141sing1.09Å1.12Å
C14H142sing1.09Å1.12Å
NVCAVsing1.47Å1.47Å
NVHNVsing0.97Å1.02Å
CAVCVsing1.51Å1.55Å
CAVCBVsing1.53Å1.53Å
CAVHAVsing1.09Å1.11Å
CVOVdoub1.21Å1.26Å
CVNLsing1.35Å1.34Å
CBVCV1sing1.53Å1.53Å
CBVCV2sing1.53Å1.53Å
CBVHBVsing1.09Å1.11Å
CV1HV11sing1.09Å1.11Å
CV1HV12sing1.09Å1.12Å
CV1HV13sing1.09Å1.12Å
CV2HV21sing1.09Å1.11Å
CV2HV22sing1.09Å1.12Å
CV2HV23sing1.09Å1.11Å
NLHNLsing0.97Å1.02Å
POdoub1.55Å1.46Å
POHsing1.55Å1.45Å
POPsing1.61Å1.56Å
CACBsing1.53Å1.53Å
CACsing1.51Å1.52Å
CAOPsing1.43Å1.42Å
CAHAsing1.09Å1.12Å
CBCGsing1.51Å1.50Å
CBHB1sing1.09Å1.11Å
CBHB2sing1.09Å1.12Å
CGCD1doub1.38Å1.40ÅAromatic
CGCD2sing1.38Å1.39ÅAromatic
CD1CE1sing1.38Å1.39ÅAromatic
CD1HD1sing1.08Å1.10Å
CD2CE2doub1.38Å1.39ÅAromatic
CD2HD2sing1.08Å1.10Å
CE1CZdoub1.38Å1.39ÅAromatic
CE1HE1sing1.08Å1.10Å
CE2CZsing1.38Å1.39ÅAromatic
CE2HE2sing1.08Å1.10Å
CZHZsing1.08Å1.10Å
COSsing1.34Å1.36Å
COEdoub1.21Å1.22Å
CSOSsing1.45Å1.45Å
CSHS1sing1.09Å1.11Å
CSHS2sing1.09Å1.11Å
CSHS3sing1.09Å1.12Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OIC12C11117.2°120.0°
OIC12NV102.3°120.0°
C2C1C6118.3°119.7°
C2C1C11118.1°120.2°
C1C2C3121.3°121.0°
C1C2H2118.3°119.5°
C6C1C11123.6°120.1°
C1C6C5120.4°119.3°
C1C6C7121.2°121.3°
C1C11C12114.1°109.5°
C1C11H111110.5°109.5°
C1C11H112110.5°109.5°
C3C2H2120.4°119.5°
C2C3C4122.3°121.0°
C2C3H3119.6°119.5°
C4C3H3118.1°119.5°
C3C4C5118.2°119.7°
C3C4H4118.9°120.2°
C5C4H4122.9°120.2°
C4C5C6119.5°119.3°
C4C5C10122.7°121.3°
C6C5C10117.9°119.3°
C5C6C7118.4°119.3°
C5C10C9122.6°119.7°
C5C10H10120.2°120.1°
C6C7C8122.2°119.7°
C6C7H7120.1°120.1°
C8C7H7117.7°120.2°
C7C8C9119.6°121.0°
C7C8H8119.5°119.5°
C9C8H8120.9°119.5°
C8C9C10119.3°121.0°
C8C9H9121.2°119.5°
C10C9H9119.5°119.5°
C9C10H10117.1°120.2°
C12C11H111110.5°109.5°
C12C11H112110.6°109.5°
C11C12NV140.5°120.0°
H111C11H11299.7°109.4°
C12NVCAV141.3°120.0°
C12NVHNV101.5°120.1°
NLC14P111.9°109.5°
NLC14H141111.3°109.5°
NLC14H142111.3°109.5°
C14NLCV114.8°120.0°
C14NLHNL126.9°120.1°
PC14H141111.4°109.5°
PC14H142111.4°109.5°
C14PO111.7°109.5°
C14POH111.3°109.5°
C14POP101.4°109.5°
H141C14H14299.0°109.4°
CAVNVHNV117.2°119.9°
NVCAVCV104.2°109.5°
NVCAVCBV116.9°109.5°
NVCAVHAV105.8°109.5°
CVCAVCBV101.1°109.5°
CVCAVHAV120.7°109.4°
CAVCVOV123.5°120.0°
CAVCVNL111.6°120.0°
CBVCAVHAV108.7°109.5°
CAVCBVCV1100.1°109.5°
CAVCBVCV2115.5°109.5°
CAVCBVHBV109.8°109.5°
OVCVNL124.8°120.0°
CVNLHNL118.2°120.0°
CV1CBVCV2102.3°109.4°
CV1CBVHBV121.6°109.4°
CBVCV1HV11100.1°109.5°
CBVCV1HV12115.8°109.5°
CBVCV1HV13115.8°109.5°
CV2CBVHBV107.8°109.5°
CBVCV2HV21115.5°109.4°
CBVCV2HV22110.0°109.5°
CBVCV2HV23110.0°109.5°
HV11CV1HV12115.8°109.4°
HV11CV1HV13115.8°109.5°
HV12CV1HV1394.6°109.5°
HV21CV2HV22110.0°109.5°
HV21CV2HV23110.1°109.5°
HV22CV2HV23100.2°109.5°
OPOH116.0°109.5°
OPOP112.8°109.5°
OHPOP102.3°109.4°
POPCA117.5°106.8°
CBCAC111.3°109.5°
CBCAOP111.0°109.5°
CBCAHA107.5°109.5°
CACBCG114.1°109.5°
CACBHB1110.6°109.5°
CACBHB2110.5°109.5°
CCAOP110.4°109.5°
CCAHA108.1°109.4°
CACOS105.1°120.0°
CACOE126.6°120.0°
OPCAHA108.4°109.5°
CGCBHB1110.5°109.5°
CGCBHB2110.5°109.5°
CBCGCD1120.9°120.0°
CBCGCD2120.3°120.0°
HB1CBHB299.7°109.4°
CD1CGCD2118.8°120.0°
CGCD1CE1120.8°120.0°
CGCD1HD1119.9°120.0°
CGCD2CE2120.7°120.0°
CGCD2HD2119.5°120.0°
CE1CD1HD1119.2°120.0°
CD1CE1CZ119.9°120.0°
CD1CE1HE1120.0°120.1°
CE2CD2HD2119.8°120.0°
CD2CE2CZ120.0°120.0°
CD2CE2HE2120.1°120.0°
CZCE1HE1120.2°120.0°
CE1CZCE2119.9°120.0°
CE1CZHZ120.2°120.0°
CZCE2HE2119.9°120.0°
CE2CZHZ120.0°120.0°
OSCOE126.5°120.0°
COSCS117.3°120.0°
OSCSHS1117.3°109.5°
OSCSHS2109.3°109.4°
OSCSHS3109.3°109.4°
HS1CSHS2109.4°109.5°
HS1CSHS3109.4°109.4°
HS2CSHS3100.8°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OIC12C11C141.5°0.1°
OIC12C11NV179.4°179.9°
OIC12C11H11183.8°120.0°
OIC12C11H112166.7°120.0°
OIC12NVCAV2.9°0.1°
OIC12NVHNV177.1°180.0°
C2C1C6C11179.8°179.7°
C1C2C3H2180.0°179.9°
C1C2C3C40.1°0.1°
C1C2C3H3180.0°179.9°
C2C1C6C50.2°0.6°
C2C1C6C7179.9°179.7°
C2C1C11C12129.8°95.0°
C2C1C11H1114.5°145.0°
C2C1C11H112104.9°25.0°
C6C1C2C30.2°0.3°
C6C1C2H2179.8°179.8°
C1C6C5C40.0°0.5°
C1C6C5C7179.9°179.2°
C1C6C5C10179.7°179.7°
C1C6C7C8179.9°179.7°
C1C6C7H70.1°0.6°
C6C1C11C1250.4°84.7°
C6C1C11H111175.7°35.3°
C6C1C11H11274.9°155.3°
C11C1C2C3180.0°180.0°
C11C1C2H20.0°0.1°
C11C1C6C5180.0°179.8°
C11C1C6C70.1°0.6°
C1C11C12H111125.3°120.1°
C1C11C12H112125.3°120.0°
C1C11H111H112116.3°120.0°
C1C11C12NV139.1°180.0°
C2C3C4H3180.0°180.0°
C2C3C4C50.3°0.0°
C2C3C4H4179.7°180.0°
H2C2C3C4180.0°180.0°
H2C2C3H30.0°0.0°
C3C4C5H4180.0°179.9°
C3C4C5C60.3°0.3°
C3C4C5C10179.4°180.0°
H3C3C4C5179.7°180.0°
H3C3C4H40.2°0.0°
C4C5C6C10179.7°179.8°
C4C5C6C7179.9°179.7°
C4C5C10C9179.8°180.0°
C4C5C10H100.2°0.0°
H4C4C5C6179.8°179.8°
H4C4C5C100.5°0.0°
C5C6C7C80.0°0.6°
C5C6C7H7180.0°179.7°
C6C5C10C90.5°0.2°
C6C5C10H10179.5°179.8°
C10C5C6C70.4°0.5°
C5C10C9C80.2°0.1°
C5C10C9H10180.0°180.0°
C5C10C9H9179.8°179.9°
C6C7C8H7180.0°179.7°
C6C7C8C90.4°0.3°
C6C7C8H8179.6°179.7°
C7C8C9H8180.0°180.0°
C7C8C9C100.3°0.1°
C7C8C9H9179.7°179.9°
H7C7C8C9179.6°180.0°
H7C7C8H80.4°0.0°
C8C9C10H9180.0°179.8°
C8C9C10H10179.8°179.9°
H8C8C9C10179.7°179.9°
H8C8C9H90.3°0.1°
H9C9C10H100.2°0.1°
C12C11H111H112116.4°120.0°
C11C12NVCAV177.7°180.0°
C11C12NVHNV2.4°0.0°
H111C11C12NV95.6°59.9°
H112C11C12NV13.9°60.0°
C12NVCAVHNV180.0°179.9°
C12NVCAVCV115.3°155.0°
C12NVCAVCBV134.1°85.0°
C12NVCAVHAV12.9°35.1°
NLC14PH141125.2°120.0°
NLC14PH142125.2°120.0°
NLC14H141H142117.1°120.0°
C14NLCVCAV179.9°175.3°
C14NLCVOV0.2°4.7°
C14NLCVHNL180.0°180.0°
NLC14PO108.2°65.0°
NLC14POH23.3°55.0°
NLC14POP131.5°175.0°
PC14H141H142117.3°120.0°
PC14NLCV170.8°95.0°
PC14NLHNL9.1°85.0°
C14POOH129.0°120.0°
C14POOP113.5°120.0°
C14POHOP107.6°120.0°
C14POPCA86.0°175.0°
H141C14NLCV45.5°25.0°
H141C14NLHNL134.4°155.0°
H141C14PO17.1°175.0°
H141C14POH148.5°65.0°
H141C14POP103.3°55.0°
H142C14NLCV63.9°145.0°
H142C14NLHNL116.2°35.0°
H142C14PO126.6°55.0°
H142C14POH102.0°175.0°
H142C14POP6.2°65.0°
NVCAVCVCBV121.7°120.0°
NVCAVCVHAV118.5°120.0°
NVCAVCBVHAV119.7°120.0°
NVCAVCVOV20.9°28.2°
NVCAVCVNL159.0°151.8°
NVCAVCBVCV161.0°178.0°
NVCAVCBVCV247.9°58.1°
NVCAVCBVHBV170.0°62.0°
HNVNVCAVCV64.7°25.0°
HNVNVCAVCBV45.8°95.0°
HNVNVCAVHAV167.1°145.0°
CVCAVCBVHAV128.0°119.9°
CAVCVOVNL179.8°180.0°
CVCAVCBVCV1173.4°61.9°
CVCAVCBVCV264.4°178.1°
CVCAVCBVHBV57.6°58.1°
CAVCVNLHNL0.1°4.7°
CBVCAVCVOV100.8°91.9°
CBVCAVCVNL79.3°88.2°
CAVCBVCV1CV2119.1°120.0°
CAVCBVCV1HBV120.8°120.0°
CAVCBVCV2HBV123.1°120.1°
CAVCBVCV1HV11180.0°53.9°
CAVCBVCV1HV1254.7°173.9°
CAVCBVCV1HV1354.7°66.1°
CAVCBVCV2HV21180.0°60.0°
CAVCBVCV2HV2254.8°180.0°
CAVCBVCV2HV2354.7°60.0°
HAVCAVCVOV139.4°148.2°
HAVCAVCVNL40.5°31.8°
HAVCAVCBVCV158.7°58.0°
HAVCAVCBVCV2167.6°61.9°
HAVCAVCBVHBV70.3°178.0°
OVCVNLHNL179.8°175.3°
CV1CBVCV2HBV129.3°119.9°
CBVCV1HV11HV12125.3°120.1°
CBVCV1HV11HV13125.3°120.0°
CBVCV1HV12HV13121.6°120.0°
CV1CBVCV2HV2172.3°180.0°
CV1CBVCV2HV2252.8°60.0°
CV1CBVCV2HV23162.3°60.0°
CV2CBVCV1HV1160.9°66.1°
CV2CBVCV1HV12173.8°53.9°
CV2CBVCV1HV1364.3°173.9°
CBVCV2HV21HV22125.2°120.0°
CBVCV2HV21HV23125.3°120.0°
CBVCV2HV22HV23115.9°120.0°
HBVCBVCV1HV1159.2°173.9°
HBVCBVCV1HV1266.1°66.1°
HBVCBVCV1HV13175.6°53.9°
HBVCBVCV2HV2156.9°60.1°
HBVCBVCV2HV22177.9°59.9°
HBVCBVCV2HV2368.4°179.9°
HV11CV1HV12HV13121.6°120.0°
HV21CV2HV22HV23115.9°120.0°
OPOHOP123.2°120.0°
OPOPCA33.6°65.0°
OHPOPCA159.0°55.0°
POPCACB138.0°120.0°
POPCAC98.1°120.0°
POPCAHA20.1°0.0°
CBCACOP123.7°120.0°
CBCACHA117.9°120.0°
CBCAOPHA117.9°120.0°
CACBCGHB1125.3°120.0°
CACBCGHB2125.3°120.0°
CACBHB1HB2116.4°120.0°
CACBCGCD167.3°90.0°
CACBCGCD2113.3°90.3°
CBCACOS59.2°65.0°
CBCACOE135.6°115.0°
CCAOPHA118.3°119.9°
CCACBCG58.9°175.0°
CCACBHB166.4°65.0°
CCACBHB2175.9°55.0°
CACOSOE165.2°179.9°
CACOSCS165.4°180.0°
OPCACBCG64.5°65.0°
OPCACBHB1170.2°55.0°
OPCACBHB260.7°175.0°
OPCACOS177.1°175.0°
OPCACOE11.9°5.1°
HACACBCG177.1°55.0°
HACACBHB151.8°175.0°
HACACBHB257.7°65.0°
HACACOS58.7°55.0°
HACACOE106.5°125.0°
CGCBHB1HB2116.3°120.0°
CBCGCD1CD2179.5°179.7°
CBCGCD1CE1179.9°180.0°
CBCGCD1HD10.1°0.0°
CBCGCD2CE2179.7°179.8°
CBCGCD2HD20.3°0.2°
HB1CBCGCD158.1°30.0°
HB1CBCGCD2121.4°149.7°
HB2CBCGCD1167.5°150.0°
HB2CBCGCD212.0°29.7°
CGCD1CE1HD1180.0°180.0°
CD1CGCD2CE20.3°0.5°
CD1CGCD2HD2179.8°180.0°
CGCD1CE1CZ0.6°0.0°
CGCD1CE1HE1179.4°180.0°
CD2CGCD1CE10.6°0.3°
CD2CGCD1HD1179.4°179.8°
CGCD2CE2HD2180.0°179.6°
CGCD2CE2CZ0.1°0.4°
CGCD2CE2HE2179.9°179.7°
CD1CE1CZHE1180.0°180.0°
CD1CE1CZCE20.2°0.0°
CD1CE1CZHZ179.8°180.0°
HD1CD1CE1CZ179.4°180.0°
HD1CD1CE1HE10.6°0.0°
CD2CE2CZCE10.1°0.2°
CD2CE2CZHE2180.0°179.9°
CD2CE2CZHZ179.9°179.8°
HD2CD2CE2CZ179.9°180.0°
HD2CD2CE2HE20.1°0.1°
CE1CZCE2HZ180.0°180.0°
CE1CZCE2HE2179.9°179.9°
HE1CE1CZCE2179.8°180.0°
HE1CE1CZHZ0.2°0.0°
HE2CE2CZHZ0.1°0.1°
COSCSHS1180.0°60.0°
COSCSHS254.7°60.0°
COSCSHS354.7°180.0°
OECOSCS0.2°0.0°
OSCSHS1HS2125.2°120.0°
OSCSHS1HS3125.2°119.9°
OSCSHS2HS3115.1°120.0°
HS1CSHS2HS3115.2°120.0°

222415

PDB entries from 2024-07-10

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