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G7E

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAZCAGdoub1.40Å1.39ÅAromatic
CAZCAHsing1.40Å1.39ÅAromatic
CAGCAEsing1.37Å1.39ÅAromatic
CAHCAFdoub1.37Å1.39ÅAromatic
CAECAYdoub1.40Å1.39ÅAromatic
CAFCAYsing1.40Å1.40ÅAromatic
CAYCAXsing1.48Å1.39Å
CANCALsing1.54Å1.53Å
CANNBEsing1.47Å1.47Å
CALOATsing1.43Å1.44Å
CAXNBEsing1.35Å1.32Å
CAXOADdoub1.22Å1.23Å
NBECAMsing1.47Å1.47Å
OATCAKsing1.43Å1.44Å
CAMCAKsing1.53Å1.52Å
CAEH1sing1.08Å1.08Å
CAFH2sing1.08Å1.08Å
CAGH3sing1.08Å1.08Å
CAHH4sing1.08Å1.08Å
CAKH5sing1.09Å1.10Å
CAKH6sing1.09Å1.10Å
CALH7sing1.09Å1.10Å
CALH8sing1.09Å1.10Å
CAMH9sing1.09Å1.10Å
CAMH10sing1.09Å1.10Å
CANH11sing1.09Å1.10Å
CANH12sing1.09Å1.10Å
CAZC1sing1.47Å128.93Å
C1C2doub1.38Å0.00ÅAromatic
C1S1sing1.76Å0.00ÅAromatic
C2N1sing1.33Å0.00ÅAromatic
S1C5sing1.76Å0.00ÅAromatic
N1C5doub1.29Å0.00ÅAromatic
C2C6sing1.46Å0.00Å
C6C7sing1.51Å0.00Å
C6O1doub1.21Å0.00Å
C5N2sing1.39Å0.00Å
N2C10sing1.35Å0.00Å
C10O2doub1.21Å0.00Å
C10C12sing1.51Å0.00Å
C12C13sing1.53Å0.00Å
C12N3sing1.47Å0.00Å
C13N4sing1.47Å0.00Å
N3C16sing1.47Å0.00Å
C16C17sing1.53Å0.00Å
N4C17sing1.47Å0.00Å
C7H13sing1.09Å0.00Å
C7H14sing1.09Å0.00Å
C7H15sing1.09Å0.00Å
N2H16sing0.97Å0.00Å
C12H17sing1.09Å0.00Å
C13H18sing1.09Å0.00Å
C13H19sing1.09Å0.00Å
N3H20sing1.01Å0.00Å
N4H21sing1.01Å0.00Å
C16H22sing1.09Å0.00Å
C16H23sing1.09Å0.00Å
C17H24sing1.09Å0.00Å
C17H25sing1.09Å0.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAGCAZCAH119.8°119.9°
CAZCAGCAE120.7°120.0°
CAZCAGH3119.6°120.0°
CAGCAZC1117.9°120.1°
CAZCAHCAF119.5°120.0°
CAZCAHH4120.3°120.0°
CAHCAZC1119.2°120.0°
CAGCAECAY119.5°120.0°
CAGCAEH1120.3°120.0°
CAECAGH3119.6°120.0°
CAHCAFCAY120.6°120.0°
CAHCAFH2119.7°120.0°
CAFCAHH4120.2°120.0°
CAECAYCAF119.9°120.0°
CAECAYCAX120.2°120.0°
CAYCAEH1120.3°120.0°
CAFCAYCAX119.9°120.0°
CAYCAFH2119.7°120.0°
CAYCAXNBE121.6°120.0°
CAYCAXOAD118.7°120.0°
CALCANNBE108.0°108.4°
CANCALOAT108.2°109.1°
CANCALH7109.8°109.6°
CANCALH8109.8°109.5°
CALCANH11109.8°109.7°
CALCANH12109.8°109.7°
CANNBECAX124.8°121.0°
CANNBECAM117.6°118.1°
NBECANH11109.8°109.7°
NBECANH12109.8°109.7°
CALOATCAK114.2°114.2°
OATCALH7109.8°109.5°
OATCALH8109.8°109.5°
NBECAXOAD119.6°120.0°
CAXNBECAM117.5°120.9°
NBECAMCAK109.9°108.3°
NBECAMH9109.4°109.7°
NBECAMH10109.3°109.7°
OATCAKCAM111.3°109.3°
OATCAKH5109.0°109.5°
OATCAKH6109.0°109.6°
CAMCAKH5109.0°109.5°
CAMCAKH6109.0°109.5°
CAKCAMH9109.4°109.7°
CAKCAMH10109.4°109.7°
H5CAKH6109.5°109.5°
H7CALH8109.5°109.5°
H9CAMH10109.5°109.8°
H11CANH12109.5°109.7°
CAZC1C290.0°126.0°
CAZC1S190.0°126.0°
C2C1S190.0°108.0°
C1C2N190.0°114.4°
C1C2C690.0°122.8°
C1S1C590.0°90.3°
C2N1C590.0°117.2°
N1C2C690.0°122.8°
S1C5N190.0°110.2°
S1C5N290.0°124.9°
N1C5N290.0°124.9°
C2C6C790.0°120.0°
C2C6O190.0°120.0°
C7C6O190.0°120.0°
C6C7H1390.0°109.4°
C6C7H1490.0°109.4°
C6C7H1590.0°109.4°
C5N2C1090.0°120.0°
C5N2H1690.0°120.0°
N2C10O290.0°120.0°
N2C10C1290.0°120.0°
C10N2H1690.0°120.0°
O2C10C1290.0°120.0°
C10C12C1390.0°109.5°
C10C12N390.0°109.5°
C10C12H1790.0°109.5°
C13C12N390.0°109.3°
C12C13N490.0°109.4°
C13C12H1790.0°109.5°
C12C13H1890.0°109.4°
C12C13H1990.0°109.5°
C12N3C1690.0°110.9°
N3C12H1790.0°109.5°
C12N3H2090.0°111.0°
C13N4C1790.0°110.9°
N4C13H1890.0°109.5°
N4C13H1990.0°109.5°
C13N4H2190.0°110.9°
N3C16C1790.0°109.4°
C16N3H2090.0°111.0°
N3C16H2290.0°109.5°
N3C16H2390.0°109.5°
C16C17N490.0°109.4°
C17C16H2290.0°109.5°
C17C16H2390.0°109.5°
C16C17H2490.0°109.5°
C16C17H2590.0°109.5°
C17N4H2190.0°111.0°
N4C17H2490.0°109.5°
N4C17H2590.0°109.5°
H13C7H1490.0°109.5°
H13C7H1590.0°109.6°
H14C7H1590.0°109.5°
H18C13H1990.0°109.6°
H22C16H2390.0°109.5°
H24C17H2590.0°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAGCAZCAHC1160.0°179.9°
CAZCAGCAEH3180.0°179.9°
CAGCAZCAHCAF0.2°0.2°
CAZCAGCAECAY0.5°0.1°
CAZCAGCAEH1179.5°179.7°
CAGCAZCAHH4179.8°179.8°
CAGCAZC1C290.0°58.4°
CAGCAZC1S190.0°121.9°
CAHCAZCAGCAE0.3°0.1°
CAZCAHCAFH4180.0°179.6°
CAZCAHCAFCAY0.4°0.5°
CAZCAHCAFH2179.6°179.9°
CAHCAZCAGH3179.8°180.0°
CAHCAZC1C290.0°121.7°
CAHCAZC1S190.0°58.0°
CAGCAECAYH1180.0°179.8°
CAGCAECAYCAF0.7°0.2°
CAGCAECAYCAX178.4°179.8°
CAECAGCAZC1160.5°180.0°
CAHCAFCAYCAE0.7°0.5°
CAHCAFCAYH2180.0°179.5°
CAHCAFCAYCAX178.4°179.5°
CAFCAHCAZC1160.3°179.7°
CAECAYCAFCAX177.7°179.9°
CAECAYCAXNBE84.6°44.8°
CAECAYCAXOAD97.0°135.2°
CAECAYCAFH2179.3°179.9°
CAYCAECAGH3179.5°180.0°
CAFCAYCAXNBE97.6°135.2°
CAFCAYCAXOAD80.7°44.7°
CAFCAYCAEH1179.3°180.0°
CAYCAFCAHH4179.5°180.0°
CAYCAXNBECAN2.7°4.2°
CAYCAXNBEOAD178.4°180.0°
CAYCAXNBECAM178.7°175.9°
CAXCAYCAEH11.6°0.0°
CAXCAYCAFH21.6°0.0°
CALCANNBEH11119.8°119.7°
CALCANNBEH12119.7°119.7°
CANCALOATH7119.8°119.9°
CANCALOATH8119.8°119.9°
CALCANNBECAX167.0°129.5°
CALCANNBECAM8.9°50.6°
CANCALOATCAK67.5°62.6°
CANCALH7H8120.6°120.2°
CALCANH11H12120.7°120.6°
NBECANCALOAT49.8°52.3°
CANNBECAXCAM176.0°179.9°
CANNBECAXOAD178.9°175.8°
CANNBECAMCAK54.0°50.6°
NBECANCALH7169.6°172.2°
NBECANCALH870.0°67.6°
CANNBECAMH966.1°69.1°
CANNBECAMH10174.1°170.3°
NBECANH11H12120.7°120.5°
CALOATCAKCAM20.5°62.6°
CALOATCAKH5140.8°57.3°
CALOATCAKH699.7°177.4°
OATCALH7H8120.6°120.1°
OATCALCANH11169.6°172.0°
OATCALCANH1270.0°67.4°
CAXNBECAMCAK122.2°129.6°
CAXNBECAMH9117.7°110.8°
CAXNBECAMH102.2°9.8°
CAXNBECANH1173.2°9.8°
CAXNBECANH1247.3°110.7°
OADCAXNBECAM2.9°4.1°
NBECAMCAKOAT37.7°52.3°
NBECAMCAKH9120.1°119.7°
NBECAMCAKH10120.0°119.7°
NBECAMCAKH582.6°67.6°
NBECAMCAKH6158.0°172.3°
NBECAMH9H10119.7°120.6°
CAMNBECANH11110.8°170.3°
CAMNBECANH12128.7°69.2°
OATCAKCAMH5120.3°119.9°
OATCAKCAMH6120.3°120.0°
OATCAKH5H6119.1°120.2°
CAKOATCALH7172.7°177.5°
CAKOATCALH852.3°57.3°
OATCAKCAMH982.4°67.4°
OATCAKCAMH10157.8°172.0°
CAMCAKH5H6119.1°120.0°
CAKCAMH9H10119.8°120.6°
H1CAECAGH30.5°0.2°
H2CAFCAHH40.5°0.5°
H3CAGCAZC119.5°0.1°
H4CAHCAZC119.7°0.2°
H5CAKCAMH9157.3°172.7°
H5CAKCAMH1037.5°52.1°
H6CAKCAMH937.9°52.6°
H6CAKCAMH1081.9°68.0°
H7CALCANH1170.6°68.1°
H7CALCANH1249.8°52.5°
H8CALCANH1149.7°52.1°
H8CALCANH12170.2°172.6°
CAZC1C2S190.0°179.8°
CAZC1C2N190.0°180.0°
CAZC1S1C590.0°180.0°
CAZC1C2C690.0°0.0°
C1C2N1C690.0°180.0°
C2C1S1C590.0°0.3°
C1C2N1C590.0°0.1°
C1C2C6C790.0°178.8°
C1C2C6O190.0°1.2°
S1C1C2N190.0°0.3°
C1S1C5N190.0°0.2°
S1C1C2C690.0°179.8°
C1S1C5N290.0°179.9°
C2N1C5S190.0°0.1°
N1C2C6C790.0°1.2°
N1C2C6O190.0°178.8°
C2N1C5N290.0°179.8°
S1C5N1N290.0°179.7°
S1C5N2C1090.0°180.0°
S1C5N2H1690.0°0.1°
C5N1C2C690.0°179.9°
N1C5N2C1090.0°0.3°
N1C5N2H1690.0°179.8°
C2C6C7O190.0°180.0°
C2C6C7H1390.0°0.0°
C2C6C7H1490.0°120.0°
C2C6C7H1590.0°120.0°
C6C7H13H1490.0°119.9°
C6C7H13H1590.0°120.0°
C6C7H14H1590.0°120.0°
O1C6C7H1390.0°180.0°
O1C6C7H1490.0°60.0°
O1C6C7H1590.0°59.9°
C5N2C10H1690.0°179.9°
C5N2C10O290.0°0.1°
C5N2C10C1290.0°180.0°
N2C10O2C1290.0°180.0°
N2C10C12C1390.0°80.1°
N2C10C12N390.0°160.1°
N2C10C12H1790.0°40.1°
O2C10C12C1390.0°100.0°
O2C10C12N390.0°19.9°
O2C10N2H1690.0°180.0°
O2C10C12H1790.0°139.9°
C10C12C13N390.0°119.9°
C10C12C13H1790.0°120.1°
C10C12N3H1790.0°120.1°
C10C12C13N490.0°178.3°
C10C12N3C1690.0°179.3°
C12C10N2H1690.0°0.1°
C10C12C13H1890.0°61.7°
C10C12C13H1990.0°58.4°
C10C12N3H2090.0°55.4°
C13C12N3H1790.0°120.0°
C12C13N4H1890.0°119.9°
C12C13N4H1990.0°119.9°
C13C12N3C1690.0°59.3°
C12C13N4C1790.0°59.3°
C12C13H18H1990.0°120.1°
C13C12N3H2090.0°64.6°
C12C13N4H2190.0°64.5°
N3C12C13N490.0°58.4°
C12N3C16H2090.0°123.9°
C12N3C16C1790.0°59.3°
N3C12C13H1890.0°178.4°
N3C12C13H1990.0°61.5°
C12N3C16H2290.0°179.3°
C12N3C16H2390.0°60.7°
C13N4C17C1690.0°59.3°
C13N4C17H2190.0°123.8°
N4C13C12H1790.0°61.6°
N4C13H18H1990.0°120.1°
C13N4C17H2490.0°179.3°
C13N4C17H2590.0°60.7°
N3C16C17H2290.0°120.0°
N3C16C17H2390.0°120.0°
N3C16C17N490.0°58.4°
C16N3C12H1790.0°60.6°
N3C16H22H2390.0°120.0°
N3C16C17H2490.0°178.4°
N3C16C17H2590.0°61.6°
C16C17N4H2490.0°120.0°
C16C17N4H2590.0°120.0°
C17C16N3H2090.0°64.6°
C16C17N4H2190.0°64.5°
C17C16H22H2390.0°120.0°
C16C17H24H2590.0°120.1°
C17N4C13H1890.0°179.2°
C17N4C13H1990.0°60.6°
N4C17C16H2290.0°178.4°
N4C17C16H2390.0°61.6°
N4C17H24H2590.0°120.0°
H13C7H14H1590.0°120.1°
H17C12C13H1890.0°58.4°
H17C12C13H1990.0°178.5°
H17C12N3H2090.0°175.5°
H18C13N4H2190.0°55.4°
H19C13N4H2190.0°175.5°
H20N3C16H2290.0°55.4°
H20N3C16H2390.0°175.5°
H21N4C17H2490.0°55.5°
H21N4C17H2590.0°175.5°
H22C16C17H2490.0°61.6°
H22C16C17H2590.0°58.4°
H23C16C17H2490.0°58.4°
H23C16C17H2590.0°178.4°

238895

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