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7XP

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NABCASsing1.47Å1.47Å
OAHCAXsing1.43Å1.43Å
CASCAMsing1.53Å1.54Å
CASCBEsing1.53Å1.56Å
CAMCARsing1.53Å1.53Å
CAXCBCsing1.53Å1.52Å
CAXCAUsing1.53Å1.51Å
CBCOAQsing1.43Å1.43Å
CBCOANsing1.43Å1.43Å
NACCAUsing1.47Å1.46Å
OAQCBEsing1.43Å1.47Å
CBECAZsing1.53Å1.53Å
CAUCATsing1.53Å1.52Å
CARNAAsing1.47Å1.48Å
CARCBDsing1.53Å1.54Å
OANCALsing1.43Å1.45Å
CAZCBDsing1.53Å1.54Å
CAZOAJsing1.43Å1.43Å
CATCALsing1.53Å1.50Å
CATOAFsing1.43Å1.44Å
CBDO1sing1.43Å1.42Å
O6C6sing1.43Å1.43Å
O1C1sing1.43Å1.42Å
O5C1sing1.43Å1.45Å
O5C5sing1.43Å1.45Å
C6C5sing1.53Å1.52Å
C1C2sing1.53Å1.52Å
C5C4sing1.53Å1.53Å
C2N2sing1.47Å1.47Å
C2C3sing1.53Å1.53Å
C4C3sing1.53Å1.50Å
C4O4sing1.43Å1.46Å
C3O3sing1.43Å1.44Å
C4H1sing1.09Å1.10Å
C5H2sing1.09Å1.10Å
C6H3sing1.09Å1.10Å
C6H4sing1.09Å1.10Å
N2H5sing1.01Å1.00Å
N2H6sing1.01Å1.00Å
C3H8sing1.09Å1.10Å
OAHH9sing0.97Å0.95Å
CAXH10sing1.09Å1.10Å
CAUH11sing1.09Å1.10Å
NACH12sing1.01Å1.00Å
NACH13sing1.01Å1.00Å
CATH15sing1.09Å1.10Å
OAFH16sing0.97Å0.95Å
CALH17sing1.09Å1.10Å
CALH18sing1.09Å1.10Å
CBCH19sing1.09Å1.10Å
CBEH20sing1.09Å1.10Å
CAZH21sing1.09Å1.10Å
OAJH22sing0.97Å0.95Å
CASH23sing1.09Å1.10Å
NABH24sing1.01Å1.00Å
NABH25sing1.01Å1.00Å
CAMH27sing1.09Å1.10Å
CAMH28sing1.09Å1.10Å
CARH29sing1.09Å1.10Å
NAAH30sing1.01Å1.00Å
NAAH31sing1.01Å1.00Å
CBDH33sing1.09Å1.10Å
C1H34sing1.09Å1.10Å
O6H35sing0.97Å0.95Å
O4H36sing0.97Å0.95Å
O3H37sing0.97Å0.95Å
C2H38sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
NABCASCAM110.4°109.5°
NABCASCBE111.7°109.5°
NABCASH23108.3°109.5°
CASNABH24109.5°111.0°
CASNABH25109.5°111.0°
OAHCAXCBC109.6°109.5°
OAHCAXCAU107.0°109.5°
CAXOAHH9109.5°114.0°
OAHCAXH10110.4°109.5°
CAMCASCBE111.5°109.4°
CASCAMCAR109.5°109.5°
CAMCASH23107.4°109.5°
CASCAMH27109.4°109.5°
CASCAMH28109.5°109.4°
CASCBEOAQ111.2°109.5°
CASCBECAZ108.6°109.5°
CASCBEH20108.8°109.5°
CBECASH23107.3°109.5°
CAMCARNAA111.6°109.5°
CAMCARCBD109.7°109.5°
CARCAMH27109.5°109.5°
CARCAMH28109.5°109.4°
CAMCARH29107.4°109.5°
CBCCAXCAU111.7°109.1°
CAXCBCOAQ111.7°109.5°
CAXCBCOAN109.2°109.4°
CBCCAXH10109.0°109.5°
CAXCBCH19108.0°109.5°
CAXCAUNAC108.7°109.6°
CAXCAUCAT109.3°109.0°
CAUCAXH10109.1°109.6°
CAXCAUH11108.9°109.5°
OAQCBCOAN109.5°109.5°
CBCOAQCBE113.0°114.0°
OAQCBCH19109.2°109.5°
CBCOANCAL114.2°114.1°
OANCBCH19109.1°109.5°
NACCAUCAT111.4°109.5°
NACCAUH11109.7°109.6°
CAUNACH12109.5°111.0°
CAUNACH13109.4°111.0°
OAQCBECAZ108.9°109.5°
OAQCBEH20110.0°109.5°
CBECAZCBD111.8°109.5°
CBECAZOAJ110.3°109.5°
CAZCBEH20109.2°109.5°
CBECAZH21108.0°109.5°
CAUCATCAL107.0°109.2°
CAUCATOAF110.8°109.6°
CATCAUH11108.8°109.5°
CAUCATH15109.1°109.5°
NAACARCBD112.8°109.5°
NAACARH29107.9°109.5°
CARNAAH30109.5°111.0°
CARNAAH31109.5°111.0°
CARCBDCAZ108.9°109.5°
CARCBDO1109.3°109.5°
CBDCARH29107.3°109.5°
CARCBDH33109.8°109.4°
OANCALCAT108.3°109.5°
OANCALH17109.7°109.5°
OANCALH18109.7°109.5°
CBDCAZOAJ109.4°109.5°
CAZCBDO1107.4°109.5°
CBDCAZH21107.9°109.5°
CAZCBDH33109.8°109.4°
OAJCAZH21109.3°109.4°
CAZOAJH22109.5°113.9°
CALCATOAF110.1°109.5°
CALCATH15109.4°109.5°
CATCALH17109.8°109.5°
CATCALH18109.8°109.5°
OAFCATH15110.3°109.6°
CATOAFH16109.5°114.0°
CBDO1C1114.3°114.0°
O1CBDH33111.6°109.5°
O6C6C5110.1°109.5°
O6C6H3109.3°109.5°
O6C6H4109.3°109.4°
C6O6H35109.5°114.0°
O1C1O5106.8°109.5°
O1C1C2109.5°109.5°
O1C1H34110.3°109.5°
C1O5C5112.7°114.1°
O5C1C2111.3°109.4°
O5C1H34110.0°109.5°
O5C5C6109.8°109.5°
O5C5C4109.5°109.4°
O5C5H2110.3°109.4°
C6C5C4108.9°109.5°
C6C5H2109.3°109.5°
C5C6H3109.3°109.5°
C5C6H4109.3°109.5°
C1C2N2110.3°109.5°
C1C2C3110.5°109.2°
C2C1H34109.0°109.5°
C1C2H38108.9°109.6°
C5C4C3107.2°109.1°
C5C4O4112.0°109.5°
C5C4H1108.9°109.6°
C4C5H2109.1°109.5°
N2C2C3108.7°109.5°
C2N2H5109.5°111.0°
C2N2H6109.5°111.0°
N2C2H38109.6°109.5°
C2C3C4110.1°109.0°
C2C3O3110.3°109.5°
C2C3H8108.3°109.6°
C3C2H38108.8°109.6°
C3C4O4109.6°109.6°
C4C3O3110.0°109.5°
C3C4H1109.3°109.5°
C4C3H8108.6°109.6°
O4C4H1109.8°109.5°
C4O4H36109.5°114.0°
O3C3H8109.5°109.6°
C3O3H37109.5°114.0°
H3C6H4109.5°109.5°
H5N2H6109.5°111.0°
H12NACH13109.5°111.0°
H17CALH18109.5°109.4°
H24NABH25109.5°111.0°
H27CAMH28109.5°109.5°
H30NAAH31109.5°111.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NABCASCAMCBE124.8°120.0°
NABCASCAMH23117.9°120.1°
NABCASCBEH23118.6°120.1°
NABCASCAMCAR177.1°180.0°
NABCASCBEOAQ60.1°60.0°
NABCASCBECAZ179.9°180.0°
NABCASCBEH2061.2°60.0°
CASNABH24H25120.0°124.0°
NABCASCAMH2762.9°60.0°
NABCASCAMH2857.0°60.1°
OAHCAXCBCCAU118.4°119.9°
OAHCAXCBCH10120.9°120.1°
OAHCAXCAUH10119.4°120.2°
OAHCAXCBCOAQ48.4°57.7°
OAHCAXCBCOAN169.7°62.3°
OAHCAXCAUNAC63.1°177.2°
OAHCAXCAUCAT175.1°62.9°
OAHCAXCAUH1156.3°56.9°
OAHCAXCBCH1971.7°177.7°
CAMCASCBEH23117.4°120.0°
CASCAMCARH27120.0°120.1°
CASCAMCARH28120.0°119.9°
CAMCASCBEOAQ175.8°180.0°
CAMCASCBECAZ56.0°60.0°
CASCAMCARNAA174.3°180.0°
CASCAMCARCBD59.9°60.0°
CAMCASCBEH2062.8°60.0°
CAMCASNABH24180.0°60.0°
CAMCASNABH2560.0°63.9°
CASCAMH27H28120.0°120.0°
CASCAMCARH2956.3°60.0°
CBECASCAMCAR58.1°60.0°
CASCBEOAQCBC98.2°98.0°
CASCBEOAQCAZ119.6°120.0°
CASCBEOAQH20120.7°120.0°
CASCBECAZH20118.6°120.0°
CASCBECAZCBD57.1°60.0°
CASCBECAZOAJ179.1°180.0°
CASCBECAZH2161.4°60.0°
CBECASNABH2455.3°180.0°
CBECASNABH25175.3°56.0°
CBECASCAMH2761.9°60.0°
CBECASCAMH28178.2°180.0°
CAMCARNAACBD124.0°120.0°
CAMCARNAAH29117.7°120.0°
CAMCARCBDH29116.3°120.0°
CAMCARCBDCAZ60.6°60.0°
CAMCARCBDO1177.6°180.0°
CARCAMCASH2359.1°59.9°
CARCAMH27H28120.0°120.0°
CAMCARNAAH30180.0°54.0°
CAMCARNAAH3160.0°178.0°
CAMCARCBDH3359.7°60.0°
CBCCAXCAUH10120.6°119.9°
CAXCBCOAQOAN121.2°119.9°
CAXCBCOAQH19119.4°120.0°
CAXCBCOANH19117.8°120.0°
CBCCAXCAUNAC176.9°62.9°
CAXCBCOAQCBE166.0°170.9°
CBCCAXCAUCAT55.2°57.0°
CAXCBCOANCAL56.5°61.1°
CBCCAXOAHH9180.0°60.0°
CBCCAXCAUH1163.6°176.8°
CAUCAXCBCOAQ70.0°177.6°
CAUCAXCBCOAN51.3°57.6°
CAXCAUNACCAT120.5°119.6°
CAXCAUNACH11119.0°120.2°
CAXCAUCATH11118.8°119.8°
CAXCAUCATCAL60.5°57.0°
CAXCAUCATOAF179.5°62.9°
CAUCAXOAHH958.7°179.7°
CAXCAUNACH12180.0°180.0°
CAXCAUNACH1360.0°56.1°
CAXCAUCATH1557.8°176.9°
CAUCAXCBCH19169.9°62.4°
OAQCBCOANH19119.5°120.0°
CBCOAQCBECAZ142.2°142.0°
OAQCBCOANCAL66.2°178.9°
OAQCBCCAXH10169.3°62.4°
CBCOAQCBEH2022.5°22.0°
OANCBCOAQCBE72.9°69.2°
CBCOANCALCAT64.1°61.1°
OANCBCCAXH1069.4°177.6°
CBCOANCALH17176.0°178.8°
CBCOANCALH1855.7°58.9°
NACCAUCATH11121.0°120.3°
NACCAUCATCAL179.4°62.9°
NACCAUCATOAF59.3°177.2°
NACCAUCAXH1056.3°57.0°
CAUNACH12H13120.0°123.9°
NACCAUCATH1562.3°57.0°
OAQCBECAZH20120.2°120.0°
OAQCBECAZCBD178.3°180.0°
OAQCBECAZOAJ59.7°60.0°
CBEOAQCBCH1946.6°50.9°
OAQCBECAZH2159.8°60.0°
OAQCBECASH2358.4°60.0°
CBECAZCBDCAR60.2°60.0°
CBECAZCBDOAJ122.5°120.0°
CBECAZCBDH21118.7°120.0°
CBECAZOAJH21118.7°120.0°
CBECAZCBDO1178.4°180.0°
CBECAZOAJH22180.0°56.4°
CAZCBECASH2361.4°59.9°
CBECAZCBDH3360.1°59.9°
CAUCATCALOAN63.5°57.6°
CAUCATCALOAF120.5°119.9°
CAUCATCALH15118.1°119.9°
CAUCATOAFH15121.0°120.2°
CATCAUCAXH1065.5°176.9°
CATCAUNACH1259.5°60.4°
CATCAUNACH13179.5°175.6°
CAUCATOAFH16180.0°180.0°
CAUCATCALH17176.7°177.6°
CAUCATCALH1856.3°62.4°
NAACARCBDH29118.7°120.0°
NAACARCBDCAZ174.4°180.0°
NAACARCBDO157.3°60.0°
NAACARCAMH2765.7°60.0°
NAACARCAMH2854.3°60.0°
CARNAAH30H31120.0°124.0°
NAACARCBDH3365.3°60.1°
CARCBDCAZO1118.2°120.0°
CARCBDCAZH33120.3°119.9°
CARCBDCAZOAJ177.3°180.0°
CARCBDO1H33121.6°120.0°
CARCBDO1C1104.2°152.6°
CARCBDCAZH2158.5°60.0°
CBDCARCAMH2760.1°60.0°
CBDCARCAMH28179.9°180.0°
CBDCARNAAH3056.0°174.0°
CBDCARNAAH3164.0°62.0°
OANCALCATH17119.8°120.1°
OANCALCATH18119.8°120.0°
OANCALCATOAF176.0°62.3°
OANCALCATH1554.6°177.5°
OANCALH17H18120.5°120.0°
CALOANCBCH19174.3°58.9°
CBDCAZOAJH21118.0°120.0°
CAZCBDO1H33120.4°120.0°
CAZCBDO1C1137.9°87.4°
CBDCAZCBEH2061.4°60.0°
CBDCAZOAJH2256.7°176.4°
CAZCBDCARH2955.7°60.0°
OAJCAZCBDO159.1°60.0°
OAJCAZCBEH2060.5°60.0°
OAJCAZCBDH3362.4°60.1°
CALCATOAFH15120.9°120.1°
CALCATCAUH1158.4°176.8°
CALCATOAFH1661.9°60.3°
CATCALH17H18120.6°120.0°
OAFCATCAUH1161.7°57.0°
OAFCATCALH1756.2°57.7°
OAFCATCALH1864.2°177.7°
CBDO1C1O5111.6°72.4°
CBDO1C1C2127.8°167.6°
O1CBDCAZH2159.7°60.0°
O1CBDCARH2961.3°60.0°
CBDO1C1H347.9°47.6°
O6C6C5O560.3°65.0°
O6C6C5H3120.1°120.0°
O6C6C5H4120.1°120.0°
O6C6C5C4179.9°175.0°
O6C6C5H260.8°54.9°
O6C6H3H4119.7°120.0°
O1C1O5C2119.5°120.0°
O1C1O5H34119.7°120.0°
O1C1O5C563.3°58.8°
O1C1C2H34120.7°120.0°
O1C1C2N254.5°57.5°
O1C1C2C365.7°62.4°
C1O1CBDH3317.5°32.6°
O1C1C2H38174.8°177.6°
C1O5C5C6179.0°178.8°
O5C1C2H34121.4°120.0°
C1O5C5C461.6°61.2°
O5C1C2N2172.4°177.6°
O5C1C2C352.1°57.7°
C1O5C5H258.5°58.8°
O5C1C2H3867.4°62.4°
O5C5C6C4119.8°120.0°
O5C5C6H2121.1°119.9°
C5O5C1C256.1°61.2°
O5C5C4H2120.8°120.0°
O5C5C4C362.4°57.6°
O5C5C4O4177.3°177.5°
O5C5C4H155.7°62.3°
O5C5C6H359.8°175.0°
O5C5C6H4179.6°55.0°
C5O5C1H34177.0°178.9°
C6C5C4H2119.2°120.0°
C6C5C4C3177.6°177.6°
C6C5C4O457.3°62.5°
C6C5C4H164.3°57.7°
C5C6H3H4119.7°120.0°
C5C6O6H35180.0°180.0°
C1C2N2C3121.3°119.7°
C1C2N2H38119.9°120.1°
C1C2C3H38119.6°120.0°
C1C2C3C455.6°57.0°
C1C2C3O3177.1°176.9°
C1C2N2H5180.0°59.9°
C1C2N2H660.0°176.0°
C1C2C3H863.1°62.9°
C5C4C3C259.9°57.0°
C5C4C3O4121.8°119.8°
C5C4C3H1117.8°120.0°
C5C4O4H1121.1°120.2°
C5C4C3O3178.4°176.8°
C4C5C6H360.0°55.0°
C4C5C6H459.8°65.0°
C5C4C3H858.6°63.0°
C5C4O4H36180.0°60.4°
N2C2C3H38119.2°120.1°
N2C2C3C4176.8°177.0°
N2C2C3O361.7°63.2°
C2N2H5H6120.0°124.0°
N2C2C3H858.1°57.0°
N2C2C1H3466.2°62.5°
C2C3C4O3121.7°119.8°
C2C3C4H8118.5°120.0°
C2C3C4O4178.4°176.8°
C2C3O3H8119.1°120.3°
C2C3C4H158.0°63.0°
C3C2N2H558.7°179.6°
C3C2N2H661.4°56.4°
C3C2C1H34173.6°177.6°
C2C3O3H37180.0°179.6°
C3C4O4H1120.1°120.2°
C4C3O3H8119.3°120.2°
C3C4C5H258.3°62.3°
C3C4O4H3661.2°180.0°
C4C3O3H3758.4°60.0°
C4C3C2H3864.0°63.0°
O4C4C3O356.7°63.3°
O4C4C5H261.9°57.6°
O4C4C3H863.2°56.9°
O3C3C4H163.8°56.9°
O3C3C2H3857.6°56.9°
H1C4C5H2176.4°177.7°
H1C4C3H8176.4°177.1°
H1C4O4H3658.9°59.8°
H2C5C6H3179.2°65.1°
H2C5C6H459.3°174.9°
H3C6O6H3559.9°59.9°
H4C6O6H3559.9°60.0°
H5N2C2H3860.1°60.2°
H6N2C2H38179.9°63.8°
H8C3O3H3760.9°60.2°
H8C3C2H38177.4°177.1°
H9OAHCAXH1059.9°60.0°
H10CAXCAUH11175.7°63.3°
H10CAXCBCH1949.2°57.6°
H11CAUNACH1261.0°59.8°
H11CAUNACH1359.0°64.2°
H11CAUCATH15176.7°63.3°
H15CATOAFH1659.0°59.8°
H15CATCALH1765.2°62.4°
H15CATCALH18174.4°57.5°
H20CBECAZH21180.0°180.0°
H20CBECASH23179.8°179.9°
H21CAZOAJH2261.3°63.6°
H21CAZCBDH33178.8°180.0°
H23CASNABH2462.7°60.0°
H23CASNABH2557.4°176.0°
H23CASCAMH27179.2°180.0°
H23CASCAMH2860.9°60.0°
H27CAMCARH29176.3°180.0°
H28CAMCARH2963.7°60.0°
H29CARNAAH3062.3°66.0°
H29CARNAAH31177.7°58.0°
H29CARCBDH33176.0°179.9°
H34C1C2H3854.1°57.6°

246704

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