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MWZ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C10N03sing1.46Å1.48Å
N04C06sing1.47Å1.47Å
C05C06sing1.53Å1.55Å
C05C04sing1.53Å1.55Å
N03C02sing1.34Å1.33ÅAromatic
N03N01doub1.29Å1.29ÅAromatic
C03C04sing1.53Å1.54Å
C03C02sing1.51Å1.55Å
C02C01doub1.35Å1.31ÅAromatic
N01N02sing1.29Å1.38ÅAromatic
C01N02sing1.36Å1.43ÅAromatic
N02CBFsing1.40Å1.39Å
CBFCAIdoub1.39Å1.39ÅAromatic
CBFCALsing1.39Å1.36ÅAromatic
CAICAJsing1.38Å1.43ÅAromatic
CALCBHdoub1.38Å1.40ÅAromatic
CAJCBIdoub1.40Å1.45ÅAromatic
CBHCBIsing1.40Å1.40ÅAromatic
CBHOBAsing1.36Å1.40Å
CBICBJsing1.48Å1.49Å
CAROBAsing1.43Å1.45Å
CARCAWsing1.53Å1.59Å
CBJNAXdoub1.30Å1.31ÅAromatic
CBJSBBsing1.76Å1.82ÅAromatic
NAXCBEsing1.31Å1.41ÅAromatic
CAWC07sing1.53Å1.55Å
C07C12sing1.53Å1.55Å
C07C08sing1.53Å1.54Å
CAFCAHdoub1.38Å1.42ÅAromatic
CAFCADsing1.38Å1.41ÅAromatic
C12C11sing1.53Å1.52Å
SBBCAKsing1.76Å1.71ÅAromatic
CAHCBDsing1.38Å1.40ÅAromatic
CBECAUsing1.51Å1.50Å
CBECAKdoub1.34Å1.38ÅAromatic
CADCAEdoub1.38Å1.40ÅAromatic
CAUCATsing1.53Å1.60Å
C11N05sing1.47Å1.47Å
C08C09sing1.53Å1.54Å
CBDCATsing1.51Å1.63Å
CBDCAGdoub1.38Å1.44ÅAromatic
CAECAGsing1.38Å1.41ÅAromatic
C09N05sing1.47Å1.48Å
C12H1sing1.09Å1.10Å
C12H2sing1.09Å1.10Å
C11H3sing1.09Å1.10Å
C11H4sing1.09Å1.10Å
CADH5sing1.08Å1.08Å
CAEH6sing1.08Å1.08Å
CAFH7sing1.08Å1.08Å
CAGH8sing1.08Å1.08Å
CAHH9sing1.08Å1.08Å
CAIH10sing1.08Å1.08Å
CAJH11sing1.08Å1.08Å
CAKH12sing1.08Å1.08Å
CALH13sing1.08Å1.08Å
CARH14sing1.09Å1.10Å
CARH15sing1.09Å1.10Å
CATH16sing1.09Å1.10Å
CATH17sing1.09Å1.10Å
CAUH18sing1.09Å1.10Å
CAUH19sing1.09Å1.10Å
CAWH20sing1.09Å1.10Å
CAWH21sing1.09Å1.10Å
C03H22sing1.09Å1.10Å
C03H23sing1.09Å1.10Å
C04H24sing1.09Å1.10Å
C04H25sing1.09Å1.10Å
N04H26sing1.01Å1.00Å
N04H27sing1.01Å1.00Å
C05H29sing1.09Å1.10Å
C05H30sing1.09Å1.10Å
C06H31sing1.09Å1.10Å
C06H32sing1.09Å1.10Å
C07H33sing1.09Å1.10Å
C08H34sing1.09Å1.10Å
C08H35sing1.09Å1.10Å
C09H36sing1.09Å1.10Å
C09H37sing1.09Å1.10Å
C10H38sing1.09Å1.10Å
C10H39sing1.09Å1.10Å
C10H40sing1.09Å1.10Å
C01H41sing1.08Å1.08Å
N05H42sing1.01Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C10N03C02125.6°125.5°
C10N03N01127.2°125.5°
N03C10H38109.5°109.5°
N03C10H39109.4°109.5°
N03C10H40109.5°109.5°
N04C06C05110.4°109.5°
C06N04H26109.5°111.0°
C06N04H27109.5°111.0°
N04C06H31109.2°109.5°
N04C06H32109.2°109.5°
C06C05C04109.9°109.4°
C06C05H29109.4°109.4°
C06C05H30109.4°109.5°
C05C06H31109.3°109.5°
C05C06H32109.3°109.5°
C05C04C03113.4°109.5°
C05C04H24108.5°109.5°
C05C04H25108.5°109.5°
C04C05H29109.4°109.5°
C04C05H30109.4°109.5°
C02N03N01107.2°109.0°
N03C02C03126.2°126.7°
N03C02C01111.0°106.6°
N03N01N02112.2°110.3°
C04C03C02109.3°109.5°
C04C03H22109.5°109.5°
C04C03H23109.5°109.5°
C03C04H24108.5°109.5°
C03C04H25108.5°109.4°
C03C02C01122.9°126.7°
C02C03H22109.5°109.5°
C02C03H23109.5°109.4°
C02C01N02107.6°106.1°
C02C01H41126.2°127.0°
N01N02C01102.0°108.1°
N01N02CBF143.1°126.0°
C01N02CBF114.9°125.9°
N02C01H41126.2°127.0°
N02CBFCAI119.4°119.9°
N02CBFCAL125.6°119.9°
CAICBFCAL114.9°120.2°
CBFCAICAJ119.6°120.2°
CBFCAIH10120.2°119.9°
CBFCALCBH127.7°120.0°
CBFCALH13116.2°120.0°
CAICAJCBI124.9°120.0°
CAJCAIH10120.2°119.9°
CAICAJH11117.5°120.1°
CALCBHCBI120.6°119.9°
CALCBHOBA118.7°120.1°
CBHCALH13116.2°120.0°
CAJCBICBH112.2°119.7°
CAJCBICBJ120.1°120.2°
CBICAJH11117.6°120.0°
CBICBHOBA120.7°120.1°
CBHCBICBJ127.6°120.1°
CBHOBACAR125.5°117.0°
CBICBJNAX129.8°125.5°
CBICBJSBB125.9°125.5°
OBACARCAW114.2°109.5°
OBACARH14108.3°109.5°
OBACARH15108.3°109.5°
CARCAWC07111.2°109.5°
CAWCARH14108.3°109.4°
CAWCARH15108.3°109.4°
CARCAWH20109.1°109.5°
CARCAWH21109.0°109.5°
NAXCBJSBB104.3°109.0°
CBJNAXCBE118.7°117.0°
CBJSBBCAK95.4°89.9°
NAXCBECAU119.8°122.1°
NAXCBECAK114.3°115.9°
CAWC07C12109.6°109.5°
CAWC07C08109.3°109.5°
C07CAWH20109.0°109.5°
C07CAWH21109.1°109.5°
CAWC07H33108.4°109.5°
C12C07C08112.5°109.1°
C07C12C11113.9°109.3°
C07C12H1108.3°109.5°
C07C12H2108.3°109.6°
C12C07H33108.5°109.5°
C07C08C09112.0°109.3°
C08C07H33108.5°109.6°
C07C08H34108.8°109.5°
C07C08H35108.8°109.6°
CAHCAFCAD120.9°120.0°
CAFCAHCBD121.8°120.0°
CAHCAFH7119.5°119.9°
CAFCAHH9119.1°120.1°
CAFCADCAE118.8°120.1°
CAFCADH5120.6°120.0°
CADCAFH7119.6°120.1°
C12C11N05109.1°109.5°
C11C12H1108.4°109.6°
C11C12H2108.3°109.5°
C12C11H3109.5°109.5°
C12C11H4109.6°109.5°
SBBCAKCBE107.2°108.2°
SBBCAKH12126.4°125.9°
CAHCBDCAT120.8°120.0°
CAHCBDCAG116.3°120.0°
CBDCAHH9119.1°120.0°
CAUCBECAK125.9°122.1°
CBECAUCAT113.2°109.5°
CBECAUH18108.5°109.5°
CBECAUH19108.5°109.4°
CBECAKH12126.4°125.9°
CADCAECAG120.4°119.9°
CAECADH5120.6°119.9°
CADCAEH6119.8°120.1°
CAUCATCBD115.1°109.5°
CAUCATH16108.0°109.5°
CAUCATH17108.0°109.5°
CATCAUH18108.5°109.5°
CATCAUH19108.5°109.5°
C11N05C09115.5°111.2°
N05C11H3109.6°109.5°
N05C11H4109.5°109.4°
C11N05H42108.0°111.0°
C08C09N05111.1°109.5°
C09C08H34108.8°109.5°
C09C08H35108.8°109.5°
C08C09H36109.1°109.5°
C08C09H37109.1°109.5°
CATCBDCAG122.9°120.0°
CBDCATH16108.0°109.5°
CBDCATH17108.1°109.4°
CBDCAGCAE121.9°120.0°
CBDCAGH8119.1°120.0°
CAGCAEH6119.8°120.0°
CAECAGH8119.1°120.0°
N05C09H36109.1°109.5°
N05C09H37109.1°109.4°
C09N05H42107.9°111.0°
H1C12H2109.5°109.4°
H3C11H4109.5°109.4°
H14CARH15109.5°109.5°
H16CATH17109.5°109.5°
H18CAUH19109.4°109.4°
H20CAWH21109.5°109.4°
H22C03H23109.5°109.5°
H24C04H25109.5°109.4°
H26N04H27109.5°111.0°
H29C05H30109.5°109.5°
H31C06H32109.5°109.5°
H34C08H35109.5°109.5°
H36C09H37109.4°109.5°
H38C10H39109.5°109.4°
H38C10H40109.5°109.5°
H39C10H40109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C10N03C02N01179.6°180.0°
C10N03C02C030.6°0.2°
C10N03C02C01179.7°180.0°
C10N03N01N02179.3°179.7°
N03C10H38H39120.0°120.0°
N03C10H38H40120.0°120.1°
N03C10H39H40120.0°120.0°
N04C06C05H31120.1°120.0°
N04C06C05H32120.1°120.0°
N04C06C05C04119.2°180.0°
C06N04H26H27120.0°124.0°
N04C06C05H290.9°60.0°
N04C06C05H30120.7°60.0°
N04C06H31H32119.5°120.0°
C06C05C04H29120.1°119.9°
C06C05C04H30120.0°120.0°
C06C05C04C03144.5°180.0°
C06C05C04H2424.0°60.0°
C06C05C04H2594.8°60.0°
C05C06N04H26180.0°179.9°
C05C06N04H2760.0°56.0°
C06C05H29H30119.8°120.0°
C05C06H31H32119.6°120.0°
C05C04C03H24120.6°120.0°
C05C04C03H25120.6°120.1°
C05C04C03C02124.6°180.0°
C05C04C03H22115.4°60.0°
C05C04C03H234.7°60.0°
C05C04H24H25118.2°120.1°
C04C05H29H30119.8°120.0°
C04C05C06H31120.7°60.0°
C04C05C06H320.9°60.0°
N03C02C03C0492.6°94.7°
N03C02C03C01179.0°179.7°
C02N03N01N021.1°0.3°
N03C02C01N020.0°0.3°
N03C02C03H22147.4°25.3°
N03C02C03H2327.3°145.3°
C02N03C10H38179.5°90.1°
C02N03C10H3959.5°150.0°
C02N03C10H4060.5°30.0°
N03C02C01H41179.9°179.8°
N01N03C02C03179.8°179.8°
N01N03C02C010.7°0.0°
N03N01N02C011.0°0.5°
N03N01N02CBF178.0°180.0°
N01N03C10H380.0°89.9°
N01N03C10H39120.0°30.0°
N01N03C10H40120.0°150.0°
C04C03C02H22120.0°120.0°
C04C03C02H23120.0°120.0°
C04C03C02C0186.4°84.9°
C04C03H22H23120.1°120.0°
C03C04H24H25118.2°119.9°
C03C04C05H2995.4°60.0°
C03C04C05H3024.5°60.0°
C03C02C01N02179.2°180.0°
C02C03H22H23120.1°120.0°
C02C03C04H244.0°60.0°
C02C03C04H25114.8°60.0°
C03C02C01H410.8°0.1°
C02C01N02N010.6°0.5°
C02C01N02H41180.0°179.9°
C02C01N02CBF178.5°180.0°
C01C02C03H2233.6°155.1°
C01C02C03H23153.7°35.0°
N01N02C01CBF178.0°179.5°
N01N02CBFCAI25.7°175.5°
N01N02CBFCAL156.2°4.5°
N01N02C01H41179.4°179.6°
C01N02CBFCAI151.0°5.1°
C01N02CBFCAL27.1°175.0°
N02CBFCAICAL178.2°179.9°
N02CBFCAICAJ178.6°179.9°
N02CBFCALCBH178.4°179.5°
N02CBFCAIH101.4°0.3°
N02CBFCALH131.6°0.3°
CBFN02C01H411.5°0.1°
CBFCAICAJH10180.0°179.7°
CAICBFCALCBH0.3°0.5°
CBFCAICAJCBI0.2°0.3°
CBFCAICAJH11179.8°179.8°
CAICBFCALH13179.7°179.8°
CALCBFCAICAJ0.4°0.0°
CBFCALCBHH13180.0°179.2°
CBFCALCBHCBI0.5°0.8°
CBFCALCBHOBA179.3°179.3°
CALCBFCAIH10179.6°179.7°
CAICAJCBIH11180.0°179.9°
CAICAJCBICBH0.9°0.0°
CAICAJCBICBJ179.8°180.0°
CALCBHCBICAJ1.0°0.5°
CALCBHCBIOBA178.8°180.0°
CALCBHCBICBJ179.8°179.5°
CALCBHOBACAR45.4°0.0°
CAJCBICBHCBJ178.8°180.0°
CAJCBICBHOBA179.8°179.5°
CAJCBICBJNAX5.5°0.1°
CAJCBICBJSBB175.8°179.9°
CBICAJCAIH10179.8°179.9°
CBICBHOBACAR135.8°180.0°
CBHCBICBJNAX173.2°179.9°
CBHCBICBJSBB5.5°0.1°
CBHCBICAJH11179.1°179.9°
CBICBHCALH13179.6°180.0°
OBACBHCBICBJ1.4°0.5°
CBHOBACARCAW172.1°180.0°
OBACBHCALH130.7°0.0°
CBHOBACARH1467.2°60.0°
CBHOBACARH1551.4°60.0°
CBICBJNAXSBB178.9°179.8°
CBICBJNAXCBE178.8°180.0°
CBICBJSBBCAK179.3°179.9°
CBJCBICAJH110.2°0.0°
OBACARCAWH14120.7°120.0°
OBACARCAWH15120.7°120.0°
OBACARCAWC0760.0°180.0°
OBACARH14H15117.8°120.0°
OBACARCAWH20179.7°60.0°
OBACARCAWH2160.3°60.0°
CARCAWC07H20120.3°120.0°
CARCAWC07H21120.2°120.1°
CARCAWC07C1266.1°175.0°
CARCAWC07C08170.2°65.4°
CAWCARH14H15117.8°119.9°
CARCAWH20H21119.2°120.0°
CARCAWC07H3352.1°54.9°
NAXCBJSBBCAK0.3°0.2°
CBJNAXCBECAU179.4°179.9°
CBJNAXCBECAK0.6°0.1°
SBBCBJNAXCBE0.1°0.2°
CBJSBBCAKCBE0.6°0.3°
CBJSBBCAKH12179.4°180.0°
NAXCBECAKSBB0.8°0.2°
NAXCBECAUCAK178.7°180.0°
NAXCBECAUCAT122.4°55.0°
NAXCBECAKH12179.2°180.0°
NAXCBECAUH181.9°175.0°
NAXCBECAUH19117.0°65.0°
CAWC07C12C08121.8°119.9°
CAWC07C12H33118.2°120.1°
CAWC07C08H33118.0°120.2°
CAWC07C12C11170.1°177.5°
CAWC07C08C09168.4°177.6°
CAWC07C12H149.4°62.5°
CAWC07C12H269.3°57.6°
C07CAWCARH1460.7°60.0°
C07CAWCARH15179.3°60.0°
C07CAWH20H21119.2°120.0°
CAWC07C08H3471.3°62.5°
CAWC07C08H3548.0°57.6°
C12C07C08H33120.0°119.9°
C07C12C11H1120.6°120.0°
C07C12C11H2120.7°120.0°
C07C12C11N0551.8°59.2°
C12C07C08C0946.4°57.7°
C07C12H1H2118.0°120.1°
C07C12C11H3171.8°179.2°
C07C12C11H468.1°60.8°
C12C07CAWH20173.6°65.0°
C12C07CAWH2154.1°55.0°
C12C07C08H34166.7°177.6°
C12C07C08H3574.0°62.3°
C08C07C12C1148.2°57.7°
C07C08C09H34120.4°119.9°
C07C08C09H35120.4°120.0°
C07C08C09N0549.9°59.2°
C08C07C12H172.4°177.7°
C08C07C12H2168.9°62.3°
C08C07CAWH2049.9°54.7°
C08C07CAWH2169.6°174.6°
C07C08H34H35118.9°120.1°
C07C08C09H3670.3°60.8°
C07C08C09H37170.2°179.2°
CAHCAFCADH7180.0°179.9°
CAFCAHCBDH9180.0°179.5°
CAHCAFCADCAE0.2°0.1°
CAFCAHCBDCAT179.7°180.0°
CAFCAHCBDCAG1.6°0.8°
CAHCAFCADH5179.8°179.8°
CADCAFCAHCBD0.5°0.4°
CAFCADCAEH5180.0°179.7°
CAFCADCAECAG0.4°0.4°
CAFCADCAEH6179.6°179.7°
CADCAFCAHH9179.5°179.9°
C12C11N05H3119.9°120.1°
C12C11N05H4119.9°120.0°
C12C11N05C0957.6°61.7°
C11C12H1H2118.0°120.0°
C12C11H3H4120.2°120.0°
C11C12C07H3371.8°62.4°
C12C11N05H4263.3°62.4°
SBBCAKCBECAU179.5°179.8°
SBBCAKCBEH12180.0°179.8°
CAHCBDCATCAU95.3°90.0°
CAHCBDCATCAG178.0°179.2°
CAHCBDCAGCAE2.1°0.5°
CBDCAHCAFH7179.5°179.4°
CAHCBDCAGH8177.9°179.5°
CAHCBDCATH16143.9°30.0°
CAHCBDCATH1725.5°150.0°
CBECAUCATH18120.6°120.0°
CBECAUCATH19120.6°120.0°
CBECAUCATCBD145.4°180.0°
CAUCBECAKH120.5°0.0°
CBECAUCATH1693.8°60.0°
CBECAUCATH1724.6°60.1°
CBECAUH18H19118.3°120.0°
CAKCBECAUCAT58.9°125.0°
CAKCBECAUH18179.5°5.0°
CAKCBECAUH1961.7°115.0°
CADCAECAGCBD1.6°0.0°
CADCAECAGH6180.0°179.9°
CAECADCAFH7179.8°180.0°
CADCAECAGH8178.4°180.0°
CAUCATCBDH16120.8°120.0°
CAUCATCBDH17120.8°120.0°
CAUCATCBDCAG82.8°90.8°
CAUCATH16H17117.4°120.1°
CATCAUH18H19118.3°120.0°
C11N05C09C0857.6°61.8°
C11N05C09H42120.9°124.1°
N05C11C12H168.8°179.2°
N05C11C12H2172.5°60.8°
N05C11H3H4120.2°119.9°
C11N05C09H3662.6°58.3°
C11N05C09H37177.9°178.3°
C08C09N05H36120.2°120.0°
C08C09N05H37120.3°120.0°
C09C08C07H3373.7°62.2°
C09C08H34H35118.8°120.1°
C08C09H36H37119.3°120.0°
C08C09N05H4263.3°62.3°
CATCBDCAGCAE179.8°179.7°
CATCBDCAGH80.3°0.2°
CATCBDCAHH90.3°0.5°
CBDCATH16H17117.5°119.9°
CBDCATCAUH1824.8°60.0°
CBDCATCAUH1994.0°60.0°
CBDCAGCAEH8180.0°180.0°
CBDCAGCAEH6178.4°180.0°
CAGCBDCAHH9178.4°179.8°
CAGCBDCATH1638.1°149.2°
CAGCBDCATH17156.4°29.2°
CAGCAECADH5179.6°180.0°
C09N05C11H3177.5°178.2°
C09N05C11H462.4°58.3°
N05C09C08H34170.3°179.1°
N05C09C08H3570.4°60.8°
N05C09H36H37119.3°119.9°
H1C12C11H351.1°60.8°
H1C12C11H4171.3°59.1°
H1C12C07H33167.6°57.6°
H2C12C11H367.6°59.2°
H2C12C11H452.5°179.1°
H2C12C07H3348.9°177.7°
H3C11N05H4256.6°57.7°
H4C11N05H42176.8°177.6°
H5CADCAEH60.4°0.0°
H5CADCAFH70.2°0.3°
H6CAECAGH81.6°0.1°
H7CAFCAHH90.5°0.0°
H10CAICAJH110.2°0.1°
H14CARCAWH2059.6°60.0°
H14CARCAWH21179.0°180.0°
H15CARCAWH2059.0°180.0°
H15CARCAWH2160.4°60.0°
H16CATCAUH18145.7°60.0°
H16CATCAUH1926.8°180.0°
H17CATCAUH1896.0°179.9°
H17CATCAUH19145.1°59.9°
H20CAWC07H3368.2°174.9°
H21CAWC07H33172.4°65.1°
H22C03C04H24124.0°180.0°
H22C03C04H255.2°60.0°
H23C03C04H24115.9°60.0°
H23C03C04H25125.3°179.9°
H24C04C05H29144.0°180.0°
H24C04C05H3096.1°60.0°
H25C04C05H2925.2°60.0°
H25C04C05H30145.1°180.0°
H26N04C06H3159.9°60.0°
H26N04C06H3259.8°59.9°
H27N04C06H3160.2°64.0°
H27N04C06H32179.9°176.0°
H29C05C06H31119.3°60.0°
H29C05C06H32121.0°180.0°
H30C05C06H310.6°180.0°
H30C05C06H32119.1°60.0°
H33C07C08H3446.7°57.6°
H33C07C08H35166.0°177.8°
H34C08C09H3650.0°59.1°
H34C08C09H3769.5°60.9°
H35C08C09H36169.3°179.2°
H35C08C09H3749.8°59.2°
H36C09N05H42176.5°177.7°
H37C09N05H4257.0°57.7°
H38C10H39H40120.0°119.9°

222415

PDB entries from 2024-07-10

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