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9OR

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O2C2doub1.22Å1.31Å
OAKCBHsing1.43Å1.46Å
C2N1sing1.35Å1.32Å
C2N3sing1.34Å1.40Å
OAJCBGsing1.43Å1.38Å
N1C8Asing1.37Å1.33Å
CBHCBGsing1.53Å1.49Å
CBHCBFsing1.53Å1.46Å
N3C4sing1.35Å1.35Å
CAQCBFsing1.53Å1.54Å
CAQOAUsing1.43Å1.38Å
CBGCARsing1.53Å1.54Å
CARN8sing1.47Å1.51Å
CBFOAIsing1.43Å1.48Å
OAUPBKsing1.61Å1.63Å
C8AN8sing1.38Å1.32Å
C8AC4Adoub1.38Å1.41Å
C4C4Asing1.40Å1.37Å
C4O4doub1.22Å1.27Å
N8C7sing1.40Å1.40Å
OALPBKdoub1.48Å1.51Å
C4AN5sing1.41Å1.37Å
PBKOAFsing1.61Å1.49Å
PBKOAMsing1.61Å1.52Å
OAGCAVdoub1.21Å1.26Å
CAPCAVsing1.51Å1.53Å
CAPCAWsing1.51Å1.57Å
C7CANsing1.38Å1.39ÅAromatic
C7C6doub1.40Å1.42ÅAromatic
N5CAWsing1.35Å1.43Å
N5C6sing1.41Å1.32Å
CAVOACsing1.34Å1.27Å
CAWOADdoub1.21Å1.25Å
CANCAXdoub1.38Å1.41ÅAromatic
C6CAOsing1.38Å1.39ÅAromatic
CAXCAAsing1.51Å1.45Å
CAXCAYsing1.38Å1.39ÅAromatic
CAOCAYdoub1.38Å1.36ÅAromatic
CAYCABsing1.51Å1.50Å
N1H1sing0.97Å1.00Å
N3H2sing0.97Å1.00Å
CAAH3sing1.09Å1.10Å
CAAH4sing1.09Å1.10Å
CAAH5sing1.09Å1.10Å
CABH6sing1.09Å1.10Å
CABH7sing1.09Å1.10Å
CABH8sing1.09Å1.10Å
CANH9sing1.08Å1.08Å
CAOH10sing1.08Å1.08Å
CAPH11sing1.09Å1.10Å
CAPH12sing1.09Å1.10Å
CAQH13sing1.09Å1.10Å
CAQH14sing1.09Å1.10Å
CARH15sing1.09Å1.10Å
CARH16sing1.09Å1.10Å
CBFH17sing1.09Å1.10Å
CBGH18sing1.09Å1.10Å
CBHH19sing1.09Å1.10Å
OACH20sing0.97Å0.95Å
OAFH21sing0.97Å0.95Å
OAIH22sing0.97Å0.95Å
OAJH23sing0.97Å0.95Å
OAKH24sing0.97Å0.95Å
OAMH25sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O2C2N1123.8°119.3°
O2C2N3116.9°119.3°
OAKCBHCBG99.0°109.5°
OAKCBHCBF107.9°109.5°
OAKCBHH19110.1°109.5°
CBHOAKH24109.5°114.0°
N1C2N3119.3°121.4°
C2N1C8A122.6°120.1°
C2N1H1118.7°120.0°
C2N3C4119.4°120.7°
C2N3H2120.3°119.6°
OAJCBGCBH114.3°109.5°
OAJCBGCAR117.6°109.5°
OAJCBGH18101.6°109.5°
CBGOAJH23109.5°114.0°
N1C8AN8118.5°120.6°
N1C8AC4A119.3°119.3°
C8AN1H1118.7°119.9°
CBGCBHCBF119.4°109.5°
CBHCBGCAR117.7°109.5°
CBHCBGH18100.7°109.5°
CBGCBHH19109.6°109.4°
CBHCBFCAQ104.0°109.5°
CBHCBFOAI105.4°109.5°
CBHCBFH17114.8°109.5°
CBFCBHH19110.1°109.5°
N3C4C4A120.6°119.2°
N3C4O4117.3°120.4°
C4N3H2120.3°119.6°
CBFCAQOAU112.1°109.5°
CAQCBFOAI103.7°109.5°
CBFCAQH13108.8°109.5°
CBFCAQH14108.8°109.5°
CAQCBFH17113.4°109.5°
CAQOAUPBK122.9°123.0°
OAUCAQH13108.8°109.4°
OAUCAQH14108.8°109.5°
CBGCARN8117.0°109.5°
CBGCARH15107.6°109.5°
CBGCARH16107.6°109.4°
CARCBGH18100.3°109.5°
CARN8C8A121.9°120.1°
CARN8C7117.8°120.2°
N8CARH15107.5°109.5°
N8CARH16107.6°109.4°
OAICBFH17114.4°109.5°
CBFOAIH22109.5°114.0°
OAUPBKOAL112.7°109.5°
OAUPBKOAF100.0°109.5°
OAUPBKOAM104.8°109.5°
N8C8AC4A122.2°120.1°
C8AN8C7119.4°119.7°
C8AC4AC4118.4°119.2°
C8AC4AN5114.8°119.9°
C4AC4O4122.1°120.4°
C4C4AN5126.7°120.8°
N8C7CAN124.0°120.7°
N8C7C6116.9°119.5°
OALPBKOAF113.7°109.5°
OALPBKOAM112.8°109.5°
C4AN5CAW115.8°120.7°
C4AN5C6121.4°118.6°
OAFPBKOAM111.7°109.4°
PBKOAFH21109.5°114.1°
PBKOAMH25109.5°114.0°
OAGCAVCAP115.2°120.0°
OAGCAVOAC126.8°120.0°
CAVCAPCAW114.2°109.5°
CAPCAVOAC117.8°120.0°
CAVCAPH11108.3°109.5°
CAVCAPH12108.3°109.4°
CAPCAWN5121.0°120.0°
CAPCAWOAD112.4°120.0°
CAWCAPH11108.3°109.5°
CAWCAPH12108.3°109.4°
CANC7C6119.0°119.9°
C7CANCAX122.3°119.8°
C7CANH9118.8°120.1°
C7C6N5118.8°119.3°
C7C6CAO118.0°120.0°
CAWN5C6110.5°120.7°
N5CAWOAD126.6°120.0°
N5C6CAO123.2°120.7°
CAVOACH20109.5°117.0°
CANCAXCAA120.7°119.9°
CANCAXCAY116.5°120.3°
CAXCANH9118.8°120.0°
C6CAOCAY121.7°119.8°
C6CAOH10119.2°120.1°
CAACAXCAY122.8°119.8°
CAXCAAH3109.5°109.5°
CAXCAAH4109.5°109.5°
CAXCAAH5109.5°109.5°
CAXCAYCAO122.4°120.2°
CAXCAYCAB118.1°119.9°
CAOCAYCAB119.5°119.9°
CAYCAOH10119.2°120.1°
CAYCABH6109.5°109.5°
CAYCABH7109.5°109.5°
CAYCABH8109.5°109.5°
H3CAAH4109.5°109.5°
H3CAAH5109.5°109.4°
H4CAAH5109.4°109.5°
H6CABH7109.4°109.5°
H6CABH8109.4°109.4°
H7CABH8109.5°109.5°
H11CAPH12109.4°109.5°
H13CAQH14109.5°109.5°
H15CARH16109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O2C2N1N3176.7°179.9°
O2C2N1C8A178.8°179.7°
O2C2N3C4175.3°180.0°
O2C2N1H11.2°0.2°
O2C2N3H24.7°0.1°
OAKCBHCBGOAJ81.3°180.0°
OAKCBHCBGCBF116.6°120.0°
OAKCBHCBGH19115.2°120.0°
OAKCBHCBFH19120.2°120.0°
OAKCBHCBFCAQ86.7°60.0°
OAKCBHCBGCAR62.9°60.0°
OAKCBHCBFOAI164.5°180.0°
OAKCBHCBFH1737.7°60.0°
OAKCBHCBGH18170.7°60.0°
C2N1C8AH1180.0°179.9°
N1C2N3C41.6°0.0°
C2N1C8AN8172.9°180.0°
C2N1C8AC4A6.2°0.6°
N1C2N3H2178.4°179.9°
N3C2N1C8A2.1°0.3°
C2N3C4H2180.0°179.9°
C2N3C4C4A1.0°0.0°
C2N3C4O4179.3°179.8°
N3C2N1H1177.9°179.8°
OAJCBGCBHCAR144.2°120.0°
OAJCBGCBHH18108.0°120.0°
OAJCBGCBHCBF162.1°60.0°
OAJCBGCARH18109.0°120.0°
OAJCBGCARN857.1°60.0°
OAJCBGCARH1564.0°60.0°
OAJCBGCARH16178.2°179.9°
OAJCBGCBHH1933.9°60.0°
N1C8AN8CAR0.3°13.7°
N1C8AN8C4A179.0°179.4°
N1C8AC4AC46.6°0.5°
N1C8AN8C7169.1°166.4°
N1C8AC4AN5170.4°179.6°
CBGCBHCBFH19128.0°120.0°
CBGCBHCBFCAQ161.5°180.0°
CBHCBGCARH18108.0°120.0°
CBHCBGCARN8159.8°180.0°
CBGCBHCBFOAI52.7°60.0°
CBHCBGCARH1579.1°60.0°
CBHCBGCARH1638.7°60.1°
CBGCBHCBFH1774.1°60.0°
CBHCBGOAJH23180.0°60.0°
CBGCBHOAKH24180.0°59.9°
CBHCBFCAQOAI110.0°120.0°
CBHCBFCAQH17125.4°120.0°
CBHCBFCAQOAU178.7°175.0°
CBFCBHCBGCAR53.6°180.0°
CBHCBFOAIH17127.1°120.0°
CBHCBFCAQH1358.3°55.0°
CBHCBFCAQH1460.9°65.0°
CBFCBHCBGH1854.1°60.0°
CBHCBFOAIH22180.0°60.0°
CBFCBHOAKH2455.0°60.1°
N3C4C4AC8A3.0°0.3°
N3C4C4AO4178.2°179.8°
N3C4C4AN5173.6°179.8°
CBFCAQOAUH13120.4°120.0°
CBFCAQOAUH14120.4°120.0°
CAQCBFOAIH17124.0°120.0°
CBFCAQOAUPBK98.4°180.0°
CBFCAQH13H14118.8°120.0°
CAQCBFCBHH1933.4°60.0°
CAQCBFOAIH2271.1°59.9°
OAUCAQCBFOAI71.3°65.0°
CAQOAUPBKOAL49.9°55.0°
CAQOAUPBKOAF170.9°175.0°
CAQOAUPBKOAM73.2°65.0°
OAUCAQH13H14118.8°120.0°
OAUCAQCBFH1753.3°55.0°
CBGCARN8H15121.1°120.1°
CBGCARN8H16121.1°119.9°
CBGCARN8C8A80.8°90.0°
CBGCARN8C788.2°89.9°
CBGCARH15H16116.6°120.0°
CARCBGCBHH19178.1°60.0°
CARCBGOAJH2335.7°60.0°
CARN8C8AC7168.8°179.9°
CARN8C8AC4A178.8°165.8°
CARN8C7CAN5.9°14.8°
CARN8C7C6176.5°165.3°
N8CARH15H16116.6°120.0°
N8CARCBGH1851.8°60.0°
OAICBFCAQH13168.3°175.0°
OAICBFCAQH1449.1°55.0°
OAICBFCBHH1975.3°59.9°
OAUPBKOALOAF113.0°120.0°
OAUPBKOALOAM118.5°120.0°
OAUPBKOAFOAM110.5°120.0°
PBKOAUCAQH13141.2°60.0°
PBKOAUCAQH1422.0°60.0°
OAUPBKOAFH21120.4°180.0°
OAUPBKOAMH25123.1°60.0°
N8C8AC4AC4172.5°180.0°
N8C8AC4AN510.5°0.1°
C8AN8C7CAN163.3°165.3°
C8AN8C7C614.3°14.7°
N8C8AN1H17.1°0.1°
C8AN8CARH1540.3°30.0°
C8AN8CARH16158.1°150.1°
C8AC4AC4N5176.6°179.9°
C8AC4AC4O4175.2°180.0°
C4AC8AN8C710.0°14.2°
C8AC4AN5CAW110.5°166.7°
C8AC4AN5C628.2°13.3°
C4AC8AN1H1173.8°179.5°
C4C4AN5CAW66.2°13.4°
C4C4AN5C6155.1°166.6°
C4AC4N3H2179.0°179.9°
O4C4C4AN58.2°0.1°
O4C4N3H20.8°0.3°
N8C7CANC6177.5°180.0°
N8C7C6N52.3°1.1°
N8C7CANCAX179.5°180.0°
N8C7C6CAO179.1°179.9°
N8C7CANH90.5°0.1°
C7N8CARH15150.7°150.0°
C7N8CARH1632.9°30.0°
OALPBKOAFOAM129.1°120.0°
OALPBKOAFH210.0°60.0°
OALPBKOAMH250.0°180.0°
C4AN5CAWCAP20.0°174.7°
C4AN5C6C724.3°12.6°
C4AN5CAWC6143.0°180.0°
C4AN5CAWOAD163.6°5.3°
C4AN5C6CAO159.2°166.3°
OAFPBKOAMH25129.5°60.0°
OAMPBKOAFH21129.1°60.0°
OAGCAVCAPOAC174.5°179.9°
OAGCAVCAPCAW145.8°0.1°
OAGCAVCAPH1125.1°119.9°
OAGCAVCAPH1293.5°120.0°
OAGCAVOACH200.0°0.1°
CAVCAPCAWH11120.7°120.1°
CAVCAPCAWH12120.7°119.9°
CAVCAPCAWN5165.8°169.1°
CAVCAPCAWOAD11.1°11.0°
CAVCAPH11H12117.8°120.0°
CAPCAVOACH20173.8°179.9°
CAPCAWN5OAD176.4°180.0°
CAPCAWN5C6163.0°5.3°
CAWCAPCAVOAC39.7°180.0°
CAWCAPH11H12117.9°120.0°
CANC7C6N5180.0°178.9°
C7CANCAXH9180.0°179.9°
CANC7C6CAO3.2°0.1°
C7CANCAXCAA179.5°180.0°
C7CANCAXCAY1.2°0.0°
C7C6N5CAW116.3°167.4°
C7C6N5CAO176.6°179.0°
C6C7CANCAX3.0°0.0°
C7C6CAOCAY1.8°0.1°
C6C7CANH9177.0°179.9°
C7C6CAOH10178.2°179.9°
CAWN5C6CAO60.2°13.7°
N5CAWCAPH1173.5°49.0°
N5CAWCAPH1245.1°71.0°
C6N5CAWOAD20.6°174.7°
N5C6CAOCAY178.4°178.8°
N5C6CAOH101.6°1.2°
OACCAVCAPH11160.4°59.9°
OACCAVCAPH1281.1°60.1°
OADCAWCAPH11109.6°131.0°
OADCAWCAPH12131.8°109.0°
CANCAXCAACAY178.1°180.0°
CANCAXCAYCAO0.3°0.0°
CANCAXCAYCAB179.1°180.0°
CANCAXCAAH389.1°90.0°
CANCAXCAAH4150.9°150.0°
CANCAXCAAH530.9°30.0°
C6CAOCAYCAX0.1°0.1°
C6CAOCAYH10180.0°180.0°
C6CAOCAYCAB178.7°180.0°
CAACAXCAYCAO177.9°180.0°
CAACAXCAYCAB0.9°0.1°
CAXCAAH3H4120.0°120.0°
CAXCAAH3H5120.0°120.0°
CAXCAAH4H5120.0°120.0°
CAACAXCANH90.5°0.0°
CAXCAYCAOCAB178.8°179.9°
CAYCAXCAAH389.0°90.0°
CAYCAXCAAH431.0°29.9°
CAYCAXCAAH5151.0°150.0°
CAXCAYCABH689.4°90.1°
CAXCAYCABH7150.6°30.0°
CAXCAYCABH830.5°150.0°
CAYCAXCANH9178.8°179.9°
CAXCAYCAOH10180.0°179.9°
CAOCAYCABH689.4°90.0°
CAOCAYCABH730.6°150.0°
CAOCAYCABH8150.6°30.0°
CAYCABH6H7120.0°120.1°
CAYCABH6H8120.0°120.0°
CAYCABH7H8120.0°120.0°
CABCAYCAOH101.2°0.0°
H3CAAH4H5120.0°120.0°
H6CABH7H8120.0°119.9°
H13CAQCBFH1767.1°65.0°
H14CAQCBFH17173.7°175.0°
H15CARCBGH18172.9°180.0°
H16CARCBGH1869.3°59.9°
H17CBFCBHH19157.9°180.0°
H17CBFOAIH2252.9°179.9°
H18CBGCBHH1974.1°180.0°
H18CBGOAJH2372.6°180.0°
H19CBHOAKH2465.2°179.9°

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