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V12

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OACCAVdoub1.22Å1.23Å
CAVNAOsing1.33Å1.34Å
CAVNBDsing1.35Å1.42Å
NAOCATdoub1.33Å1.34Å
CATNAAsing1.38Å1.33Å
CATCAFsing1.41Å1.39Å
NAAHAA1sing0.97Å1.00Å
NAAHAA2sing0.97Å1.00Å
CAFHAFsing1.08Å1.08Å
CAFCAGdoub1.35Å1.39Å
CAGHAGsing1.08Å1.08Å
CAGNBDsing1.36Å1.41Å
NBDCBCsing1.47Å1.50Å
CBCHBCsing1.09Å1.10Å
CBCOASsing1.44Å1.48Å
CBCCBAsing1.55Å1.54Å
OASCB0sing1.44Å1.42Å
CBAHBAsing1.09Å1.10Å
CBAOAEsing1.43Å1.44Å
CBACAZsing1.55Å1.53Å
OAEHAEsing0.97Å0.95Å
CAZHAZsing1.09Å1.10Å
CAZOADsing1.43Å1.43Å
CAZCB0sing1.55Å1.52Å
OADHADsing0.97Å0.95Å
CB0CANsing1.53Å1.53Å
CB0HB0sing1.09Å1.10Å
CANNAQsing1.46Å1.47Å
CANHAN1sing1.09Å1.10Å
CANHAN2sing1.09Å1.10Å
NAQCAUsing1.35Å1.34Å
NAQHAQsing0.97Å1.00Å
CAUOABdoub1.21Å1.23Å
CAUCALsing1.51Å1.53Å
CALCA0sing1.51Å1.54Å
CALHAL1sing1.09Å1.10Å
CALHAL2sing1.09Å1.10Å
CA0NARdoub1.30Å1.33ÅAromatic
CA0NAPsing1.36Å1.34ÅAromatic
NARCAYsing1.36Å1.33ÅAromatic
CAYCAKsing1.40Å1.39ÅAromatic
CAYCAXdoub1.41Å1.39ÅAromatic
CAKCAIdoub1.37Å1.39ÅAromatic
CAKHAKsing1.08Å1.08Å
CAICAHsing1.39Å1.40ÅAromatic
CAIHAIsing1.08Å1.08Å
CAHCAJdoub1.38Å1.39ÅAromatic
CAHHAHsing1.08Å1.08Å
CAJCAXsing1.39Å1.39ÅAromatic
CAJHAJsing1.08Å1.08Å
CAXNAPsing1.38Å1.33ÅAromatic
NAPHAPsing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OACCAVNAO118.5°119.5°
OACCAVNBD122.6°119.5°
NAOCAVNBD118.9°121.1°
CAVNAOCAT122.6°120.7°
CAVNBDCAG118.9°120.4°
CAVNBDCBC124.0°119.9°
NAOCATNAA120.5°120.2°
NAOCATCAF120.8°119.6°
NAACATCAF118.7°120.2°
CATNAAHAA1109.5°120.0°
CATNAAHAA2109.5°120.0°
CATCAFHAF120.5°120.5°
CATCAFCAG119.0°119.0°
HAA1NAAHAA2109.4°120.0°
HAFCAFCAG120.5°120.5°
CAFCAGHAG120.2°120.4°
CAFCAGNBD119.7°119.3°
HAGCAGNBD120.2°120.4°
CAGNBDCBC117.1°119.8°
NBDCBCHBC108.6°110.4°
NBDCBCOAS105.3°110.3°
NBDCBCCBA113.7°110.4°
HBCCBCOAS115.4°110.4°
HBCCBCCBA107.2°110.4°
OASCBCCBA106.7°104.9°
CBCOASCB0108.6°105.2°
CBCCBAHBA113.0°110.5°
CBCCBAOAE110.4°110.5°
CBCCBACAZ104.1°104.1°
OASCB0CAZ105.4°104.8°
OASCB0CAN107.1°110.4°
OASCB0HB0112.5°110.3°
HBACBAOAE106.0°110.5°
HBACBACAZ112.1°110.5°
OAECBACAZ111.4°110.6°
CBAOAEHAE109.5°114.0°
CBACAZHAZ111.9°110.5°
CBACAZOAD109.8°110.5°
CBACAZCB0105.0°104.0°
HAZCAZOAD108.5°110.5°
HAZCAZCB0113.0°110.5°
OADCAZCB0108.6°110.6°
CAZOADHAD109.5°114.0°
CAZCB0CAN106.2°110.5°
CAZCB0HB0113.3°110.3°
CANCB0HB0111.8°110.4°
CB0CANNAQ111.8°109.5°
CB0CANHAN1108.7°109.5°
CB0CANHAN2108.2°109.4°
NAQCANHAN1108.7°109.5°
NAQCANHAN2108.2°109.5°
CANNAQCAU123.5°120.0°
CANNAQHAQ118.3°120.0°
HAN1CANHAN2111.3°109.5°
CAUNAQHAQ118.3°120.0°
NAQCAUOAB124.6°120.0°
NAQCAUCAL114.3°120.0°
OABCAUCAL121.1°120.0°
CAUCALCA0112.6°109.5°
CAUCALHAL1108.4°109.4°
CAUCALHAL2107.7°109.5°
CA0CALHAL1108.4°109.5°
CA0CALHAL2107.7°109.5°
CALCA0NAR124.4°124.9°
CALCA0NAP126.8°124.9°
HAL1CALHAL2112.0°109.5°
NARCA0NAP108.8°110.1°
CA0NARCAY108.6°109.6°
CA0NAPCAX108.4°107.3°
CA0NAPHAP125.8°126.4°
NARCAYCAK132.6°133.6°
NARCAYCAX107.0°106.9°
CAKCAYCAX120.4°119.5°
CAYCAKCAI119.6°119.9°
CAYCAKHAK120.2°120.1°
CAYCAXCAJ120.1°119.8°
CAYCAXNAP107.1°106.0°
CAICAKHAK120.2°120.1°
CAKCAICAH120.1°120.6°
CAKCAIHAI120.0°119.7°
CAHCAIHAI120.0°119.7°
CAICAHCAJ120.1°120.5°
CAICAHHAH119.9°119.8°
CAJCAHHAH120.0°119.7°
CAHCAJCAX119.7°119.7°
CAHCAJHAJ120.2°120.2°
CAXCAJHAJ120.1°120.2°
CAJCAXNAP132.8°134.1°
CAXNAPHAP125.8°126.3°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OACCAVNAONBD179.8°179.7°
OACCAVNAOCAT179.6°179.9°
OACCAVNBDCAG179.4°179.8°
OACCAVNBDCBC0.1°0.1°
CAVNAOCATNAA179.9°180.0°
CAVNAOCATCAF0.1°0.1°
NAOCAVNBDCAG0.4°0.5°
NAOCAVNBDCBC180.0°179.7°
NBDCAVNAOCAT0.2°0.3°
CAVNBDCAGCAF0.5°0.5°
CAVNBDCAGHAG179.5°179.7°
CAVNBDCAGCBC179.6°179.7°
CAVNBDCBCHBC46.3°174.3°
CAVNBDCBCOAS170.5°52.0°
CAVNBDCBCCBA73.0°63.4°
NAOCATNAACAF179.9°179.9°
NAOCATNAAHAA1154.3°0.1°
NAOCATNAAHAA285.7°180.0°
NAOCATCAFHAF179.7°180.0°
NAOCATCAFCAG0.2°0.1°
CATNAAHAA1HAA2120.0°179.9°
NAACATCAFHAF0.2°0.1°
NAACATCAFCAG179.8°180.0°
CAFCATNAAHAA125.8°180.0°
CAFCATNAAHAA294.2°0.1°
CATCAFHAFCAG180.0°179.9°
CATCAFCAGHAG179.6°180.0°
CATCAFCAGNBD0.4°0.2°
HAFCAFCAGHAG0.4°0.0°
HAFCAFCAGNBD179.6°179.8°
CAFCAGHAGNBD180.0°179.8°
CAFCAGNBDCBC179.9°179.8°
HAGCAGNBDCBC0.1°0.0°
CAGNBDCBCHBC133.3°5.5°
CAGNBDCBCOAS9.1°127.7°
CAGNBDCBCCBA107.4°116.8°
NBDCBCHBCOAS117.9°122.2°
NBDCBCHBCCBA123.3°122.3°
NBDCBCOASCBA121.2°118.9°
NBDCBCOASCB0139.1°159.3°
NBDCBCCBAHBA8.5°24.1°
NBDCBCCBAOAE127.0°98.5°
NBDCBCCBACAZ113.4°142.8°
HBCCBCOASCBA119.0°118.9°
HBCCBCOASCB0101.1°78.4°
HBCCBCCBAHBA111.6°146.4°
HBCCBCCBAOAE6.9°23.9°
HBCCBCCBACAZ126.5°94.9°
OASCBCCBAHBA124.2°94.7°
OASCBCCBAOAE117.3°142.7°
OASCBCCBACAZ2.3°23.9°
CBCOASCB0CAZ30.9°40.4°
CBCOASCB0CAN143.6°159.4°
CBCOASCB0HB093.1°78.4°
CBACBCOASCB017.9°40.4°
CBCCBAHBAOAE121.0°122.6°
CBCCBAHBACAZ117.3°114.7°
CBCCBAOAECAZ115.1°114.7°
CBCCBAOAEHAE122.8°180.0°
CBCCBACAZHAZ102.9°118.6°
CBCCBACAZOAD136.6°118.8°
CBCCBACAZCB020.1°0.0°
OASCB0CAZCBA31.6°24.0°
OASCB0CAZHAZ90.6°94.7°
OASCB0CAZOAD149.0°142.6°
OASCB0CAZCAN113.4°118.9°
OASCB0CAZHB0123.5°118.8°
OASCB0CANHB0123.7°122.2°
OASCB0CANNAQ74.1°66.4°
OASCB0CANHAN1165.9°173.6°
OASCB0CANHAN245.0°53.6°
HBACBAOAECAZ122.2°122.6°
HBACBAOAEHAE0.1°57.4°
HBACBACAZHAZ19.6°0.1°
HBACBACAZOAD100.9°122.6°
HBACBACAZCB0142.6°118.7°
OAECBACAZHAZ138.2°122.7°
OAECBACAZOAD17.6°0.1°
OAECBACAZCB098.9°118.7°
CAZCBAOAEHAE122.1°65.3°
CBACAZHAZOAD121.3°122.6°
CBACAZHAZCB0118.3°114.6°
CBACAZOADCB0114.2°114.6°
CBACAZOADHAD35.6°61.5°
CBACAZCB0CAN145.1°142.8°
CBACAZCB0HB091.8°94.8°
HAZCAZOADCB0123.2°122.7°
HAZCAZOADHAD87.0°61.1°
HAZCAZCB0CAN22.8°24.2°
HAZCAZCB0HB0145.9°146.5°
OADCAZCB0CAN97.6°98.5°
OADCAZCB0HB025.5°23.8°
CB0CAZOADHAD149.8°176.2°
CAZCB0CANHB0124.1°122.3°
CAZCB0CANNAQ173.6°178.1°
CAZCB0CANHAN153.7°58.1°
CAZCB0CANHAN267.3°61.9°
CB0CANNAQHAN1120.0°120.0°
CB0CANNAQHAN2119.0°120.0°
CB0CANHAN1HAN2119.1°119.9°
CB0CANNAQCAU100.7°180.0°
CB0CANNAQHAQ79.3°0.0°
HB0CB0CANNAQ49.6°55.8°
HB0CB0CANHAN170.4°64.2°
HB0CB0CANHAN2168.6°175.8°
NAQCANHAN1HAN2119.0°120.0°
CANNAQCAUHAQ180.0°180.0°
CANNAQCAUOAB0.3°0.0°
CANNAQCAUCAL179.3°180.0°
HAN1CANNAQCAU19.2°60.0°
HAN1CANNAQHAQ160.7°120.0°
HAN2CANNAQCAU140.2°60.0°
HAN2CANNAQHAQ39.7°120.0°
NAQCAUOABCAL179.6°180.0°
NAQCAUCALCA0143.9°180.0°
NAQCAUCALHAL196.1°60.0°
NAQCAUCALHAL225.3°60.0°
HAQNAQCAUOAB179.7°179.9°
HAQNAQCAUCAL0.7°0.0°
OABCAUCALCA036.4°0.0°
OABCAUCALHAL183.6°120.0°
OABCAUCALHAL2155.1°120.1°
CAUCALCA0HAL1120.0°120.0°
CAUCALCA0HAL2118.7°120.0°
CAUCALHAL1HAL2118.7°120.0°
CAUCALCA0NAR174.3°55.0°
CAUCALCA0NAP5.8°124.7°
CA0CALHAL1HAL2118.7°120.1°
CALCA0NARNAP179.9°179.8°
CALCA0NARCAY180.0°180.0°
CALCA0NAPCAX180.0°179.9°
CALCA0NAPHAP0.0°0.0°
HAL1CALCA0NAR54.3°175.0°
HAL1CALCA0NAP125.8°4.8°
HAL2CALCA0NAR67.0°65.0°
HAL2CALCA0NAP112.9°115.3°
CA0NARCAYCAK180.0°180.0°
CA0NARCAYCAX0.1°0.0°
NARCA0NAPCAX0.1°0.4°
NARCA0NAPHAP180.0°179.7°
NAPCA0NARCAY0.1°0.2°
CA0NAPCAXCAY0.0°0.4°
CA0NAPCAXCAJ179.9°179.9°
CA0NAPCAXHAP180.0°179.9°
NARCAYCAKCAX180.0°180.0°
NARCAYCAKCAI180.0°180.0°
NARCAYCAKHAK0.0°0.1°
NARCAYCAXCAJ180.0°180.0°
NARCAYCAXNAP0.0°0.2°
CAYCAKCAIHAK180.0°180.0°
CAYCAKCAICAH0.1°0.0°
CAYCAKCAIHAI179.9°180.0°
CAKCAYCAXCAJ0.1°0.0°
CAKCAYCAXNAP180.0°179.8°
CAXCAYCAKCAI0.0°0.0°
CAXCAYCAKHAK180.0°180.0°
CAYCAXCAJCAH0.1°0.0°
CAYCAXCAJNAP179.9°179.7°
CAYCAXCAJHAJ179.9°180.0°
CAYCAXNAPHAP180.0°179.8°
CAKCAICAHHAI180.0°180.0°
CAKCAICAHCAJ0.1°0.0°
CAKCAICAHHAH179.9°180.0°
HAKCAKCAICAH179.9°179.9°
HAKCAKCAIHAI0.1°0.0°
CAICAHCAJHAH180.0°180.0°
CAICAHCAJCAX0.0°0.0°
CAICAHCAJHAJ180.0°180.0°
HAICAICAHCAJ179.9°180.0°
HAICAICAHHAH0.1°0.0°
CAHCAJCAXHAJ180.0°180.0°
CAHCAJCAXNAP180.0°179.7°
HAHCAHCAJCAX180.0°180.0°
HAHCAHCAJHAJ0.0°0.0°
CAJCAXNAPHAP0.1°0.0°
HAJCAJCAXNAP0.0°0.3°

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