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J4C

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OE1CDdoub1.21Å1.24Å
CDOE2sing1.34Å1.26Å
CDCGsing1.51Å1.54Å
O2C2doub1.22Å1.24Å
CAHN3sing1.47Å1.48Å
CGCBsing1.53Å1.55Å
CAWCAXdoub1.38Å1.39ÅAromatic
CAWCAVsing1.38Å1.39ÅAromatic
OXTCdoub1.21Å1.26Å
C2N3sing1.35Å1.35Å
C2N1sing1.34Å1.34Å
CAXCAYsing1.38Å1.39ÅAromatic
CAAN1sing1.46Å1.48Å
CAACAVsing1.51Å1.53Å
N3C4sing1.39Å1.34Å
N1C6sing1.35Å1.33Å
CBCAsing1.53Å1.54Å
CAVCBAdoub1.38Å1.39ÅAromatic
CCAsing1.51Å1.54Å
COsing1.34Å1.25Å
C4N9sing1.33Å1.34ÅAromatic
C4C5doub1.39Å1.34ÅAromatic
C6C5sing1.41Å1.34Å
C6O6doub1.22Å1.24Å
CAYCL1sing1.74Å1.72Å
CAYCAZdoub1.39Å1.39ÅAromatic
N9C8doub1.32Å1.33ÅAromatic
CANsing1.47Å1.48Å
C5N7sing1.39Å1.34ÅAromatic
CBACAZsing1.38Å1.39ÅAromatic
NCBDsing1.35Å1.34Å
CATCAUdoub1.38Å1.40ÅAromatic
CATCASsing1.40Å1.40ÅAromatic
CAUCAPsing1.39Å1.40ÅAromatic
CAZCL2sing1.74Å1.68Å
C8N7sing1.36Å1.33ÅAromatic
C8NAOsing1.38Å1.35Å
N7CANsing1.46Å1.47Å
CBDCASsing1.47Å1.42Å
CBDOBEdoub1.22Å1.24Å
CASCARdoub1.40Å1.40ÅAromatic
CAPNAOsing1.39Å1.36Å
CAPCAQdoub1.39Å1.40ÅAromatic
CARCAQsing1.38Å1.40ÅAromatic
NH1sing0.97Å1.00Å
CAH2sing1.09Å1.10Å
OH3sing0.97Å0.95Å
CBH4sing1.09Å1.10Å
CBH5sing1.09Å1.10Å
CGH6sing1.09Å1.10Å
CGH7sing1.09Å1.10Å
OE2H8sing0.97Å0.95Å
CAAH9sing1.09Å1.10Å
CAAH10sing1.09Å1.10Å
CAHH11sing1.09Å1.10Å
CAHH12sing1.09Å1.10Å
CAHH13sing1.09Å1.10Å
CANH14sing1.09Å1.10Å
CANH15sing1.09Å1.10Å
CANH16sing1.09Å1.10Å
CAQH17sing1.08Å1.08Å
CARH18sing1.08Å1.08Å
CATH19sing1.08Å1.08Å
CAUH20sing1.08Å1.08Å
CAWH21sing1.08Å1.08Å
CAXH22sing1.08Å1.08Å
CBAH23sing1.08Å1.08Å
NAOH24sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OE1CDOE2125.9°120.0°
OE1CDCG116.4°120.0°
OE2CDCG117.7°120.0°
CDOE2H8109.5°117.0°
CDCGCB112.1°109.5°
CDCGH6108.8°109.5°
CDCGH7108.8°109.4°
O2C2N3120.6°119.2°
O2C2N1120.2°119.2°
CAHN3C2118.9°120.0°
CAHN3C4120.5°119.9°
N3CAHH11109.5°109.5°
N3CAHH12109.5°109.5°
N3CAHH13109.5°109.5°
CGCBCA106.3°109.5°
CGCBH4110.3°109.5°
CGCBH5110.3°109.5°
CBCGH6108.8°109.5°
CBCGH7108.8°109.5°
CAXCAWCAV121.2°120.1°
CAWCAXCAY118.2°120.0°
CAXCAWH21119.4°120.0°
CAWCAXH22120.9°120.0°
CAWCAVCAA118.8°120.0°
CAWCAVCBA120.6°120.0°
CAVCAWH21119.4°119.9°
OXTCCA117.5°120.0°
OXTCO125.8°120.0°
N3C2N1119.2°121.6°
C2N3C4120.6°120.1°
C2N1CAA121.3°119.5°
C2N1C6120.4°121.0°
CAXCAYCL1121.4°120.0°
CAXCAYCAZ120.5°120.0°
CAYCAXH22120.9°120.0°
N1CAACAV115.0°109.4°
CAAN1C6118.2°119.5°
N1CAAH9108.1°109.5°
N1CAAH10108.1°109.5°
CAACAVCBA120.6°120.0°
CAVCAAH9108.0°109.5°
CAVCAAH10108.1°109.4°
N3C4N9131.9°133.7°
N3C4C5119.5°118.8°
N1C6C5120.0°119.3°
N1C6O6117.2°120.3°
CBCAC109.4°109.5°
CBCAN107.6°109.5°
CBCAH2108.4°109.5°
CACBH4110.3°109.5°
CACBH5110.3°109.5°
CAVCBACAZ117.9°120.0°
CAVCBAH23121.0°120.0°
CACO116.7°120.0°
CCAN113.9°109.5°
CCAH2108.3°109.5°
COH3109.5°117.0°
N9C4C5108.6°107.6°
C4N9C8107.2°109.9°
C4C5C6120.3°119.3°
C4C5N7107.2°106.3°
C5C6O6122.8°120.4°
C6C5N7132.5°134.4°
CL1CAYCAZ118.1°120.0°
CAYCAZCBA121.6°119.9°
CAYCAZCL2118.2°120.0°
N9C8N7108.4°109.4°
N9C8NAO130.6°125.3°
CANCBD129.0°120.0°
CANH1115.5°120.0°
NCAH2109.1°109.5°
C5N7C8108.5°106.7°
C5N7CAN131.4°126.6°
CBACAZCL2120.2°120.0°
CAZCBAH23121.1°120.0°
NCBDCAS113.0°120.0°
NCBDOBE124.4°120.0°
CBDNH1115.5°120.0°
CAUCATCAS121.1°119.9°
CATCAUCAP121.1°120.1°
CAUCATH19119.5°120.0°
CATCAUH20119.5°119.9°
CATCASCBD120.3°120.1°
CATCASCAR117.9°119.8°
CASCATH19119.5°120.0°
CAUCAPNAO123.9°119.9°
CAUCAPCAQ118.1°120.2°
CAPCAUH20119.4°120.0°
N7C8NAO121.0°125.3°
C8N7CAN120.1°126.6°
C8NAOCAP124.7°120.0°
C8NAOH24117.6°120.0°
N7CANH14109.5°109.5°
N7CANH15109.4°109.5°
N7CANH16109.4°109.5°
CASCBDOBE122.4°120.0°
CBDCASCAR121.7°120.1°
CASCARCAQ121.1°120.0°
CASCARH18119.5°120.0°
NAOCAPCAQ118.0°119.9°
CAPNAOH24117.7°120.0°
CAPCAQCAR120.7°120.0°
CAPCAQH17119.6°120.0°
CARCAQH17119.6°120.0°
CAQCARH18119.5°120.1°
H4CBH5109.5°109.5°
H6CGH7109.4°109.5°
H9CAAH10109.5°109.5°
H11CAHH12109.5°109.5°
H11CAHH13109.4°109.5°
H12CAHH13109.5°109.5°
H14CANH15109.5°109.5°
H14CANH16109.5°109.5°
H15CANH16109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OE1CDOE2CG179.1°180.0°
OE1CDCGCB102.8°0.0°
OE1CDCGH617.6°120.0°
OE1CDCGH7136.8°120.0°
OE1CDOE2H80.0°0.0°
OE2CDCGCB78.0°180.0°
OE2CDCGH6161.6°60.0°
OE2CDCGH742.4°60.0°
CDCGCBH6120.4°120.0°
CDCGCBH7120.4°120.0°
CDCGCBCA165.5°180.0°
CDCGCBH446.0°60.0°
CDCGCBH575.0°60.0°
CDCGH6H7118.8°119.9°
CGCDOE2H8179.1°180.0°
O2C2N3CAH0.3°0.3°
O2C2N3N1179.8°179.6°
O2C2N1CAA1.3°0.4°
O2C2N3C4179.2°179.7°
O2C2N1C6178.9°179.7°
CAHN3C2C4179.5°180.0°
CAHN3C2N1179.9°179.9°
CAHN3C4N91.4°0.1°
CAHN3C4C5179.9°180.0°
N3CAHH11H12120.0°120.0°
N3CAHH11H13120.0°120.0°
N3CAHH12H13120.0°120.0°
CGCBCAH4119.5°120.0°
CGCBCAH5119.5°120.0°
CGCBCAC87.2°175.0°
CGCBCAN37.0°65.0°
CGCBCAH2154.9°55.0°
CGCBH4H5121.5°120.0°
CBCGH6H7118.8°120.0°
CAXCAWCAVH21180.0°179.9°
CAWCAXCAYH22180.0°180.0°
CAXCAWCAVCAA179.9°180.0°
CAXCAWCAVCBA0.3°0.3°
CAWCAXCAYCL1179.6°180.0°
CAWCAXCAYCAZ0.3°0.0°
CAVCAWCAXCAY0.1°0.0°
CAWCAVCAAN1134.5°89.8°
CAWCAVCAACBA179.6°179.7°
CAWCAVCBACAZ0.1°0.5°
CAWCAVCAAH9104.7°30.3°
CAWCAVCAAH1013.7°150.3°
CAVCAWCAXH22179.9°180.0°
CAWCAVCBAH23179.9°179.7°
OXTCCACB43.8°120.0°
OXTCCAO177.9°179.9°
OXTCCAN76.6°0.0°
OXTCCAH2161.8°120.0°
OXTCOH30.0°0.0°
N3C2N1CAA178.5°180.0°
N3C2N1C60.9°0.1°
C2N3C4N9179.1°180.0°
C2N3C4C50.4°0.0°
C2N3CAHH11180.0°0.0°
C2N3CAHH1260.0°120.0°
C2N3CAHH1360.0°120.0°
C2N1CAAC6177.6°179.9°
C2N1CAACAV69.5°90.1°
N1C2N3C40.6°0.0°
C2N1C6C51.1°0.1°
C2N1C6O6179.3°179.9°
C2N1CAAH9169.6°29.9°
C2N1CAAH1051.3°150.0°
CAXCAYCL1CAZ179.2°180.0°
CAXCAYCAZCBA0.6°0.2°
CAXCAYCAZCL2179.8°180.0°
CAYCAXCAWH21179.9°180.0°
N1CAACAVH9120.8°120.0°
N1CAACAVH10120.8°119.9°
N1CAACAVCBA45.9°90.0°
CAAN1C6C5178.7°180.0°
CAAN1C6O61.7°0.1°
N1CAAH9H10117.5°120.0°
CAVCAAN1C6112.9°90.0°
CAACAVCBACAZ179.7°179.7°
CAVCAAH9H10117.4°120.0°
CAACAVCAWH210.0°0.0°
CAACAVCBAH230.3°0.0°
N3C4N9C5178.8°179.9°
N3C4C5C60.6°0.1°
N3C4N9C8179.9°179.9°
N3C4C5N7179.8°179.9°
C4N3CAHH110.5°180.0°
C4N3CAHH12120.5°60.1°
C4N3CAHH13119.5°60.0°
N1C6C5C41.0°0.0°
N1C6C5O6179.5°179.9°
N1C6C5N7179.6°180.0°
C6N1CAAH98.0°149.9°
C6N1CAAH10126.3°29.9°
CBCACN120.4°120.0°
CBCACH2118.0°120.0°
CBCACO134.1°60.0°
CBCANH2117.4°120.0°
CBCANCBD149.4°155.0°
CBCANH130.6°25.0°
CACBH4H5121.5°120.0°
CACBCGH674.1°60.0°
CACBCGH745.1°60.0°
CAVCBACAZCAY0.4°0.5°
CAVCBACAZH23180.0°179.8°
CAVCBACAZCL2179.6°179.7°
CBACAVCAAH974.9°150.0°
CBACAVCAAH10166.7°29.9°
CBACAVCAWH21179.6°179.8°
CCANH2121.2°120.0°
CCANCBD89.2°85.0°
CCANH190.9°95.0°
CACOH3177.7°180.0°
CCACBH4153.3°65.0°
CCACBH532.3°55.0°
OCCAN105.5°180.0°
OCCAH216.1°60.0°
N9C4C5C6179.6°180.0°
N9C4C5N70.9°0.0°
C4N9C8N71.0°0.0°
C4N9C8NAO179.1°180.0°
C4C5C6N7179.4°180.0°
C4C5C6O6179.5°180.0°
C5C4N9C81.2°0.0°
C4C5N7C80.3°0.0°
C4C5N7CAN179.4°180.0°
C6C5N7C8179.7°180.0°
C6C5N7CAN0.1°0.0°
O6C6C5N70.1°0.1°
CL1CAYCAZCBA179.9°179.8°
CL1CAYCAZCL20.9°0.0°
CL1CAYCAXH220.4°0.0°
CAYCAZCBACL2179.2°179.8°
CAZCAYCAXH22179.7°180.0°
CAYCAZCBAH23179.6°179.8°
N9C8N7C50.4°0.0°
N9C8N7NAO178.3°180.0°
N9C8N7CAN179.9°180.0°
N9C8NAOCAP5.3°5.2°
N9C8NAOH24174.7°174.8°
CANCBDH1180.0°179.9°
CANCBDCAS175.4°180.0°
CANCBDOBE0.5°0.1°
NCACBH482.5°55.0°
NCACBH5156.5°175.0°
C5N7C8CAN179.7°180.0°
C5N7C8NAO178.8°180.0°
C5N7CANH14180.0°90.0°
C5N7CANH1560.0°150.0°
C5N7CANH1660.0°30.0°
NCBDCASCAT2.7°0.1°
NCBDCASOBE176.0°179.9°
NCBDCASCAR174.3°180.0°
CBDNCAH232.0°35.0°
CAUCATCASH19180.0°179.3°
CATCAUCAPH20180.0°179.4°
CAUCATCASCBD178.5°179.8°
CAUCATCASCAR1.3°0.4°
CATCAUCAPNAO179.1°179.7°
CATCAUCAPCAQ0.9°0.6°
CASCATCAUCAP1.1°0.7°
CATCASCBDCAR177.0°179.9°
CATCASCBDOBE178.7°180.0°
CATCASCARCAQ1.4°0.1°
CATCASCARH18178.6°179.9°
CASCATCAUH20178.9°179.9°
CAUCAPNAOC827.4°150.2°
CAUCAPNAOCAQ178.2°179.7°
CAUCAPCAQCAR1.0°0.3°
CAUCAPCAQH17178.9°179.7°
CAPCAUCATH19178.9°180.0°
CAUCAPNAOH24152.6°29.9°
CL2CAZCBAH230.4°0.0°
N7C8NAOCAP176.8°174.8°
C8N7CANH140.4°90.0°
C8N7CANH15119.6°30.1°
C8N7CANH16120.4°150.0°
N7C8NAOH243.2°5.2°
NAOC8N7CAN1.5°0.0°
C8NAOCAPH24180.0°180.0°
C8NAOCAPCAQ154.4°30.2°
N7CANH14H15120.0°120.0°
N7CANH14H16120.0°120.0°
N7CANH15H16120.0°119.9°
CBDCASCARCAQ178.5°179.9°
CASCBDNH14.6°0.1°
CBDCASCARH181.5°0.0°
CBDCASCATH191.6°0.4°
OBECBDCASCAR1.7°0.1°
OBECBDNH1179.5°180.0°
CASCARCAQCAP1.3°0.0°
CASCARCAQH18180.0°179.9°
CASCARCAQH17178.6°180.0°
CARCASCATH19178.7°179.7°
NAOCAPCAQCAR179.3°180.0°
NAOCAPCAQH170.6°0.1°
NAOCAPCAUH200.9°0.3°
CAPCAQCARH17180.0°179.9°
CAPCAQCARH18178.7°179.9°
CAQCAPCAUH20179.0°180.0°
CAQCAPNAOH2425.6°149.8°
H1NCAH2148.0°145.0°
H2CACBH435.4°175.0°
H2CACBH585.6°65.0°
H4CBCGH6166.4°180.0°
H4CBCGH774.4°60.0°
H5CBCGH645.4°60.0°
H5CBCGH7164.6°180.0°
H11CAHH12H13120.0°120.0°
H14CANH15H16120.0°120.0°
H17CAQCARH181.3°0.0°
H19CATCAUH201.1°0.6°
H21CAWCAXH220.1°0.0°

227344

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