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3QG

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O6C6doub1.22Å1.23Å
N1C6sing1.35Å1.42Å
N1C2doub1.30Å1.34Å
C6C5sing1.46Å1.35Å
C2N3sing1.34Å1.42Å
C5N7sing1.35Å1.34ÅAromatic
C5C4doub1.39Å1.34ÅAromatic
N7C8doub1.30Å1.34ÅAromatic
N3C4sing1.37Å1.36Å
C4N9sing1.36Å1.33ÅAromatic
C8N9sing1.36Å1.32ÅAromatic
N9CASsing1.46Å1.47Å
CASCAOsing1.53Å1.53Å
CAONBCsing1.47Å1.48Å
OADPBHdoub1.48Å1.48Å
OAJPBHsing1.61Å1.61Å
OAEPBFdoub1.48Å1.60Å
CATPBFsing1.82Å1.80Å
CATCAPsing1.53Å1.54Å
PBHOAIsing1.61Å1.60Å
PBHCAVsing1.82Å1.82Å
NBCCAMsing1.47Å1.47Å
NBCCAPsing1.47Å1.47Å
CAMCANsing1.53Å1.55Å
PBFOAFsing1.61Å1.61Å
PBFOABsing1.61Å1.48Å
CARCAVsing1.53Å1.54Å
CARNBDsing1.47Å1.48Å
CANNBDsing1.47Å1.48Å
NBDCAQsing1.47Å1.48Å
CAUCAQsing1.53Å1.55Å
CAUPBGsing1.82Å1.81Å
OAGPBGdoub1.48Å1.60Å
PBGOACsing1.61Å1.48Å
PBGOAHsing1.61Å1.61Å
OAHH1sing0.97Å0.95Å
OACH2sing0.97Å0.95Å
CAUH3sing1.09Å1.10Å
CAUH4sing1.09Å1.10Å
CAQH5sing1.09Å1.10Å
CAQH6sing1.09Å1.10Å
CARH8sing1.09Å1.10Å
CARH9sing1.09Å1.10Å
CAVH10sing1.09Å1.10Å
CAVH11sing1.09Å1.10Å
OAIH12sing0.97Å0.95Å
OAJH13sing0.97Å0.95Å
CANH14sing1.09Å1.10Å
CANH15sing1.09Å1.10Å
CAMH16sing1.09Å1.10Å
CAMH17sing1.09Å1.10Å
CAPH19sing1.09Å1.10Å
CAPH20sing1.09Å1.10Å
CATH21sing1.09Å1.10Å
CATH22sing1.09Å1.10Å
OAFH23sing0.97Å0.95Å
OABH24sing0.97Å0.95Å
CAOH25sing1.09Å1.10Å
CAOH26sing1.09Å1.10Å
CASH27sing1.09Å1.10Å
CASH28sing1.09Å1.10Å
N3H29sing0.97Å1.00Å
C2H30sing1.08Å1.08Å
C8H31sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O6C6N1117.7°120.8°
O6C6C5121.6°120.9°
C6N1C2120.3°121.4°
N1C6C5120.7°118.3°
N1C2N3117.6°122.9°
N1C2H30121.2°118.5°
C6C5N7133.6°134.7°
C6C5C4118.9°117.9°
C2N3C4120.7°120.7°
C2N3H29119.6°119.6°
N3C2H30121.2°118.6°
N7C5C4107.5°107.4°
C5N7C8108.0°109.1°
C5C4N3121.7°118.8°
C5C4N9108.0°106.3°
N7C8N9107.9°109.6°
N7C8H31126.0°125.2°
N3C4N9130.3°134.9°
C4N3H29119.7°119.7°
C4N9C8108.6°107.5°
C4N9CAS123.2°126.2°
C8N9CAS128.2°126.3°
N9C8H31126.1°125.2°
N9CASCAO114.9°109.5°
N9CASH27108.1°109.5°
N9CASH28108.1°109.5°
CASCAONBC108.5°109.5°
CASCAOH25109.7°109.5°
CASCAOH26109.7°109.5°
CAOCASH27108.1°109.4°
CAOCASH28108.1°109.4°
CAONBCCAM111.2°111.0°
CAONBCCAP113.1°111.0°
NBCCAOH25109.7°109.5°
NBCCAOH26109.7°109.5°
OADPBHOAJ114.8°109.5°
OADPBHOAI113.9°109.4°
OADPBHCAV114.2°109.5°
OAJPBHOAI104.8°109.5°
OAJPBHCAV105.3°109.5°
PBHOAJH13109.5°114.0°
OAEPBFCAT106.6°109.5°
OAEPBFOAF109.7°109.5°
OAEPBFOAB113.0°109.5°
PBFCATCAP105.5°109.4°
CATPBFOAF104.8°109.5°
CATPBFOAB109.5°109.4°
PBFCATH21110.5°109.5°
PBFCATH22110.5°109.5°
CATCAPNBC114.1°109.5°
CATCAPH19108.3°109.5°
CATCAPH20108.3°109.5°
CAPCATH21110.5°109.4°
CAPCATH22110.4°109.5°
OAIPBHCAV102.6°109.5°
PBHOAIH12109.5°114.0°
PBHCAVCAR112.4°109.5°
PBHCAVH10108.7°109.5°
PBHCAVH11108.7°109.5°
CAMNBCCAP107.5°111.0°
NBCCAMCAN113.2°109.5°
NBCCAMH16108.5°109.5°
NBCCAMH17108.5°109.5°
NBCCAPH19108.3°109.4°
NBCCAPH20108.3°109.5°
CAMCANNBD120.7°109.5°
CAMCANH14106.6°109.4°
CAMCANH15106.6°109.5°
CANCAMH16108.5°109.4°
CANCAMH17108.5°109.4°
OAFPBFOAB112.8°109.4°
PBFOAFH23109.5°114.1°
PBFOABH24109.5°114.0°
CAVCARNBD114.4°109.5°
CAVCARH8108.3°109.5°
CAVCARH9108.2°109.5°
CARCAVH10108.7°109.4°
CARCAVH11108.7°109.5°
CARNBDCAN115.7°111.0°
CARNBDCAQ114.5°111.0°
NBDCARH8108.2°109.5°
NBDCARH9108.2°109.5°
CANNBDCAQ109.6°111.0°
NBDCANH14106.6°109.5°
NBDCANH15106.6°109.5°
NBDCAQCAU119.9°109.5°
NBDCAQH5106.8°109.5°
NBDCAQH6106.8°109.5°
CAQCAUPBG113.9°109.5°
CAQCAUH3108.3°109.4°
CAQCAUH4108.3°109.4°
CAUCAQH5106.8°109.4°
CAUCAQH6106.8°109.5°
CAUPBGOAG108.3°109.5°
CAUPBGOAC113.3°109.5°
CAUPBGOAH104.2°109.4°
PBGCAUH3108.3°109.5°
PBGCAUH4108.3°109.5°
OAGPBGOAC114.3°109.5°
OAGPBGOAH107.7°109.5°
OACPBGOAH108.4°109.5°
PBGOACH2109.5°114.0°
PBGOAHH1109.5°114.0°
H3CAUH4109.5°109.5°
H5CAQH6109.5°109.4°
H8CARH9109.4°109.5°
H10CAVH11109.5°109.5°
H14CANH15109.5°109.4°
H16CAMH17109.5°109.5°
H19CAPH20109.5°109.4°
H21CATH22109.4°109.5°
H25CAOH26109.5°109.4°
H27CASH28109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O6C6N1C5179.7°179.9°
O6C6N1C2179.9°180.0°
O6C6C5N70.0°0.0°
O6C6C5C4180.0°180.0°
C6N1C2N30.1°0.0°
N1C6C5N7179.6°180.0°
N1C6C5C40.4°0.0°
C6N1C2H30179.9°180.0°
C2N1C6C50.4°0.0°
N1C2N3H30180.0°180.0°
N1C2N3C40.2°0.0°
N1C2N3H29179.8°180.0°
C6C5N7C4180.0°180.0°
C6C5N7C8179.9°179.8°
C6C5C4N30.0°0.0°
C6C5C4N9179.8°180.0°
C2N3C4C50.2°0.0°
C2N3C4H29180.0°180.0°
C2N3C4N9179.5°180.0°
N7C5C4N3179.9°180.0°
N7C5C4N90.2°0.0°
C5N7C8N90.4°0.4°
C5N7C8H31179.6°180.0°
C4C5N7C80.2°0.2°
C5C4N3N9179.7°180.0°
C5C4N9C80.4°0.2°
C5C4N9CAS179.2°180.0°
C5C4N3H29179.8°180.0°
N7C8N9C40.5°0.4°
N7C8N9H31180.0°179.7°
N7C8N9CAS179.2°179.9°
N3C4N9C8179.8°179.8°
N3C4N9CAS1.0°0.0°
C4N3C2H30179.8°180.0°
C4N9C8CAS178.7°179.8°
C4N9CASCAO100.1°85.0°
C4N9CASH27139.1°35.0°
C4N9CASH2820.8°155.0°
N9C4N3H290.5°0.0°
C4N9C8H31179.5°180.0°
C8N9CASCAO81.4°95.3°
C8N9CASH2739.4°144.8°
C8N9CASH28157.8°24.7°
N9CASCAOH27120.8°120.0°
N9CASCAOH28120.8°120.0°
N9CASCAONBC161.3°175.6°
N9CASCAOH2578.9°64.3°
N9CASCAOH2641.4°55.6°
N9CASH27H28117.5°120.0°
CASN9C8H310.8°0.2°
CASCAONBCH25119.8°120.0°
CASCAONBCH26119.8°120.0°
CASCAONBCCAM133.5°75.8°
CASCAONBCCAP105.4°160.2°
CASCAOH25H26120.4°120.0°
CAOCASH27H28117.5°120.0°
CAONBCCAPCAT51.3°72.1°
CAONBCCAMCAP124.4°124.0°
CAONBCCAMCAN165.5°170.0°
CAONBCCAMH1645.0°70.0°
CAONBCCAMH1773.9°50.0°
CAONBCCAPH19172.0°167.9°
CAONBCCAPH2069.3°48.0°
NBCCAOH25H26120.5°120.0°
NBCCAOCASH2740.5°55.6°
NBCCAOCASH2877.9°64.4°
OADPBHOAJOAI125.7°120.0°
OADPBHOAJCAV126.5°120.0°
OADPBHOAICAV123.9°120.0°
OADPBHCAVCAR75.1°55.0°
OADPBHCAVH10164.5°65.0°
OADPBHCAVH1145.3°175.0°
OADPBHOAIH120.0°60.0°
OADPBHOAJH130.0°180.0°
OAJPBHOAICAV109.8°120.0°
OAJPBHCAVCAR51.7°65.0°
OAJPBHCAVH1068.7°175.0°
OAJPBHCAVH11172.2°55.0°
OAJPBHOAIH12126.3°60.0°
OAEPBFCATOAF116.2°120.1°
OAEPBFCATOAB122.5°120.0°
OAEPBFCATCAP164.9°55.0°
OAEPBFOAFOAB126.9°120.0°
OAEPBFCATH2145.5°175.0°
OAEPBFCATH2275.7°64.9°
OAEPBFOAFH230.0°180.0°
OAEPBFOABH240.0°60.0°
PBFCATCAPH21119.4°120.0°
PBFCATCAPH22119.4°120.0°
PBFCATCAPNBC166.6°176.0°
CATPBFOAFOAB119.0°120.0°
PBFCATCAPH1972.8°64.1°
PBFCATCAPH2045.9°55.9°
PBFCATH21H22121.8°120.1°
CATPBFOAFH23114.1°59.9°
CATPBFOABH24118.7°180.0°
CATCAPNBCCAM71.8°163.9°
CATCAPNBCH19120.7°120.0°
CATCAPNBCH20120.7°120.1°
CAPCATPBFOAF48.6°65.0°
CAPCATPBFOAB72.6°175.0°
CATCAPH19H20117.9°120.0°
CAPCATH21H22121.8°120.0°
OAIPBHCAVCAR161.2°175.0°
OAIPBHCAVH1040.8°55.0°
OAIPBHCAVH1178.4°65.0°
OAIPBHOAJH13125.7°60.0°
PBHCAVCARH10120.5°120.0°
PBHCAVCARH11120.4°120.0°
PBHCAVCARNBD160.8°179.2°
PBHCAVCARH840.1°60.8°
PBHCAVCARH978.4°59.2°
PBHCAVH10H11118.7°120.0°
CAVPBHOAIH12123.9°180.0°
CAVPBHOAJH13126.5°59.9°
NBCCAMCANH16120.5°120.0°
NBCCAMCANH17120.6°120.0°
NBCCAMCANNBD113.9°175.2°
NBCCAMCANH14124.5°55.2°
NBCCAMCANH157.7°64.7°
NBCCAMH16H17118.3°120.0°
CAMNBCCAPH1948.8°43.9°
CAMNBCCAPH20167.5°76.0°
CAMNBCCAOH2513.7°164.2°
CAMNBCCAOH26106.7°44.2°
CAPNBCCAMCAN70.1°66.0°
CAPNBCCAMH16169.3°53.9°
CAPNBCCAMH1750.5°174.0°
NBCCAPH19H20117.9°120.0°
NBCCAPCATH2147.2°56.0°
NBCCAPCATH2274.0°64.0°
CAPNBCCAOH25134.8°40.2°
CAPNBCCAOH2614.5°79.8°
CAMCANNBDCAR6.0°160.5°
CAMCANNBDH14121.6°120.0°
CAMCANNBDH15121.6°120.0°
CAMCANNBDCAQ125.3°75.6°
CAMCANH14H15114.9°120.0°
CANCAMH16H17118.3°119.9°
OAFPBFCATH2170.8°54.9°
OAFPBFCATH22168.0°175.0°
OAFPBFOABH24125.1°60.0°
OABPBFCATH21168.0°65.0°
OABPBFCATH2246.8°55.1°
OABPBFOAFH23126.9°60.0°
CAVCARNBDH8120.7°120.0°
CAVCARNBDH9120.7°120.0°
CAVCARNBDCAN148.3°72.4°
CAVCARNBDCAQ82.7°163.6°
CAVCARH8H9117.8°120.0°
CARCAVH10H11118.6°120.0°
CARNBDCANCAQ131.3°124.0°
CARNBDCAQCAU27.4°66.0°
CARNBDCAQH594.1°53.9°
CARNBDCAQH6148.8°173.9°
NBDCARH8H9117.7°120.0°
NBDCARCAVH1078.7°59.2°
NBDCARCAVH1140.4°60.8°
CARNBDCANH14115.6°40.5°
CARNBDCANH15127.5°79.5°
CANNBDCAQCAU104.6°170.0°
CANNBDCAQH5134.0°70.0°
CANNBDCAQH616.9°50.0°
CANNBDCARH827.6°167.6°
CANNBDCARH990.9°47.6°
NBDCANH14H15114.9°120.0°
NBDCANCAMH166.6°64.8°
NBDCANCAMH17125.5°55.2°
NBDCAQCAUH5121.5°120.0°
NBDCAQCAUH6121.5°120.1°
NBDCAQCAUPBG179.9°180.0°
NBDCAQCAUH359.5°60.0°
NBDCAQCAUH459.2°60.0°
NBDCAQH5H6115.3°120.0°
CAQNBDCARH8156.5°43.6°
CAQNBDCARH938.0°76.3°
CAQNBDCANH14113.1°164.5°
CAQNBDCANH153.8°44.5°
CAQCAUPBGH3120.7°120.0°
CAQCAUPBGH4120.6°120.0°
CAQCAUPBGOAG170.3°55.0°
CAQCAUPBGOAC61.7°65.0°
CAQCAUPBGOAH55.9°175.0°
CAQCAUH3H4118.0°119.9°
CAUCAQH5H6115.3°120.0°
CAUPBGOAGOAC127.4°120.0°
CAUPBGOAGOAH112.1°120.0°
CAUPBGOACOAH115.1°120.0°
CAUPBGOAHH1114.9°180.0°
CAUPBGOACH2124.8°60.0°
PBGCAUH3H4118.0°120.1°
PBGCAUCAQH558.4°60.0°
PBGCAUCAQH658.7°59.9°
OAGPBGOACOAH120.1°120.0°
OAGPBGOAHH10.0°60.0°
OAGPBGOACH20.0°180.0°
OAGPBGCAUH369.0°65.0°
OAGPBGCAUH449.7°175.0°
OACPBGOAHH1124.2°60.0°
OACPBGCAUH359.0°175.0°
OACPBGCAUH4177.7°55.0°
OAHPBGOACH2120.1°59.9°
OAHPBGCAUH3176.5°55.0°
OAHPBGCAUH464.7°65.0°
H3CAUCAQH5179.1°180.0°
H3CAUCAQH662.0°60.1°
H4CAUCAQH562.2°60.1°
H4CAUCAQH6179.3°180.0°
H8CARCAVH10160.6°179.2°
H8CARCAVH1180.3°59.2°
H9CARCAVH1042.0°60.8°
H9CARCAVH11161.1°179.2°
H14CANCAMH16114.9°175.2°
H14CANCAMH174.0°64.8°
H15CANCAMH16128.2°55.3°
H15CANCAMH17112.9°175.2°
H19CAPCATH21167.8°176.0°
H19CAPCATH2246.6°55.9°
H20CAPCATH2173.5°64.0°
H20CAPCATH22165.3°175.9°
H25CAOCASH27160.3°175.7°
H25CAOCASH2841.9°55.6°
H26CAOCASH2779.4°64.4°
H26CAOCASH28162.2°175.6°
H29N3C2H300.2°0.0°

222926

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