23D

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAS	CAQ	sing	0.00Å	1.39Å	Aromatic
CAS	CAM	doub	0.00Å	1.40Å	Aromatic
CAS	HAS	sing	0.00Å	1.10Å
CAQ	CL1	sing	0.00Å	1.73Å
CAQ	CAP	doub	0.00Å	1.39Å	Aromatic
CAP	CAO	sing	0.00Å	1.39Å	Aromatic
CAP	HAP	sing	0.00Å	1.10Å
CAO	CAN	doub	0.00Å	1.39Å	Aromatic
CAO	HAO	sing	0.00Å	1.10Å
CAN	CAM	sing	0.00Å	1.40Å	Aromatic
CAN	HAN	sing	0.00Å	1.10Å
CAM	N6	sing	0.00Å	1.35Å
N6	C6	sing	0.00Å	1.34Å
N6	HN6	sing	0.00Å	1.02Å
C6	N1	doub	0.00Å	1.36Å	Aromatic
C6	C5	sing	0.00Å	1.39Å	Aromatic
N1	C2	sing	0.00Å	1.35Å	Aromatic
C5	N7	sing	0.00Å	1.33Å	Aromatic
C5	C4	doub	0.00Å	1.40Å	Aromatic
N7	C8	doub	0.00Å	1.34Å	Aromatic
C8	N9	sing	0.00Å	1.33Å	Aromatic
C8	H8	sing	0.00Å	1.10Å
N9	CAZ	sing	0.00Å	1.47Å
N9	C4	sing	0.00Å	1.33Å	Aromatic
CAZ	CBA	sing	0.00Å	1.54Å
CAZ	HAZ1	sing	0.00Å	1.11Å
CAZ	HAZ2	sing	0.00Å	1.12Å
CBA	HBA1	sing	0.00Å	1.11Å
CBA	HBA2	sing	0.00Å	1.11Å
CBA	HBA3	sing	0.00Å	1.12Å
C4	N3	sing	0.00Å	1.34Å	Aromatic
N3	C2	doub	0.00Å	1.35Å	Aromatic
C2	N2	sing	0.00Å	1.34Å
N2	CAG	sing	0.00Å	1.47Å
N2	HN2	sing	0.00Å	1.02Å
CAG	CAF	sing	0.00Å	1.53Å
CAG	CAA	sing	0.00Å	1.53Å
CAG	HAG	sing	0.00Å	1.11Å
CAF	CAE	sing	0.00Å	1.53Å
CAF	HAF1	sing	0.00Å	1.11Å
CAF	HAF2	sing	0.00Å	1.11Å
CAE	CAD	sing	0.00Å	1.54Å
CAE	HAE1	sing	0.00Å	1.11Å
CAE	HAE2	sing	0.00Å	1.11Å
CAD	CAC	sing	0.00Å	1.54Å
CAD	HAD1	sing	0.00Å	1.12Å
CAD	HAD2	sing	0.00Å	1.11Å
CAC	CAA	sing	0.00Å	1.54Å
CAC	HAC1	sing	0.00Å	1.12Å
CAC	HAC2	sing	0.00Å	1.11Å
CAA	NAB	sing	0.00Å	1.47Å
CAA	HAA	sing	0.00Å	1.11Å
NAB	HAB1	sing	0.00Å	1.02Å
NAB	HAB2	sing	0.00Å	1.02Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAQ	CAS	CAM	120.3°	90.0°
CAQ	CAS	HAS	119.6°	90.0°
CAS	CAQ	CL1	118.7°	90.0°
CAS	CAQ	CAP	120.4°	90.0°
CAM	CAS	HAS	120.1°	90.0°
CAS	CAM	CAN	118.9°	90.0°
CAS	CAM	N6	121.8°	90.0°
CL1	CAQ	CAP	120.9°	90.0°
CAQ	CAP	CAO	120.1°	90.0°
CAQ	CAP	HAP	120.1°	90.0°
CAO	CAP	HAP	119.8°	90.0°
CAP	CAO	CAN	119.5°	90.0°
CAP	CAO	HAO	120.1°	90.0°
CAN	CAO	HAO	120.4°	90.0°
CAO	CAN	CAM	120.9°	90.0°
CAO	CAN	HAN	119.2°	90.0°
CAM	CAN	HAN	119.9°	90.0°
CAN	CAM	N6	119.2°	90.0°
CAM	N6	C6	126.3°	90.0°
CAM	N6	HN6	106.3°	90.0°
C6	N6	HN6	106.3°	90.0°
N6	C6	N1	124.6°	90.0°
N6	C6	C5	117.3°	90.0°
N1	C6	C5	118.1°	90.0°
C6	N1	C2	121.3°	90.0°
C6	C5	N7	132.6°	90.0°
C6	C5	C4	119.7°	90.0°
N1	C2	N3	120.9°	90.0°
N1	C2	N2	121.2°	90.0°
N7	C5	C4	107.7°	90.0°
C5	N7	C8	108.0°	90.0°
C5	C4	N9	106.1°	90.0°
C5	C4	N3	119.9°	90.0°
N7	C8	N9	108.9°	90.0°
N7	C8	H8	125.8°	90.0°
N9	C8	H8	125.2°	90.0°
C8	N9	CAZ	124.4°	90.0°
C8	N9	C4	109.3°	90.0°
CAZ	N9	C4	126.3°	90.0°
N9	CAZ	CBA	111.5°	90.0°
N9	CAZ	HAZ1	111.4°	90.0°
N9	CAZ	HAZ2	111.5°	90.0°
N9	C4	N3	134.1°	90.0°
CBA	CAZ	HAZ1	111.5°	90.0°
CBA	CAZ	HAZ2	111.5°	90.0°
CAZ	CBA	HBA1	111.5°	90.0°
CAZ	CBA	HBA2	111.5°	90.0°
CAZ	CBA	HBA3	111.5°	90.0°
HAZ1	CAZ	HAZ2	98.9°	90.0°
HBA1	CBA	HBA2	111.4°	90.0°
HBA1	CBA	HBA3	98.9°	90.0°
HBA2	CBA	HBA3	111.5°	90.0°
C4	N3	C2	120.0°	90.0°
N3	C2	N2	117.9°	90.0°
C2	N2	CAG	123.8°	90.0°
C2	N2	HN2	107.2°	90.0°
CAG	N2	HN2	107.1°	90.0°
N2	CAG	CAF	110.1°	90.0°
N2	CAG	CAA	108.5°	90.0°
N2	CAG	HAG	110.1°	90.0°
CAF	CAG	CAA	110.6°	90.0°
CAF	CAG	HAG	108.0°	90.0°
CAG	CAF	CAE	111.1°	90.0°
CAG	CAF	HAF1	111.6°	90.0°
CAG	CAF	HAF2	111.6°	90.0°
CAA	CAG	HAG	109.5°	90.0°
CAG	CAA	CAC	112.2°	90.0°
CAG	CAA	NAB	109.5°	90.0°
CAG	CAA	HAA	107.8°	90.0°
CAE	CAF	HAF1	111.6°	90.0°
CAE	CAF	HAF2	111.6°	90.0°
CAF	CAE	CAD	113.1°	90.0°
CAF	CAE	HAE1	110.9°	90.0°
CAF	CAE	HAE2	110.9°	90.0°
HAF1	CAF	HAF2	98.8°	90.0°
CAD	CAE	HAE1	110.9°	90.0°
CAD	CAE	HAE2	110.9°	90.0°
CAE	CAD	CAC	112.3°	90.0°
CAE	CAD	HAD1	111.1°	90.0°
CAE	CAD	HAD2	111.1°	90.0°
HAE1	CAE	HAE2	99.4°	90.0°
CAC	CAD	HAD1	111.1°	90.0°
CAC	CAD	HAD2	111.2°	90.0°
CAD	CAC	CAA	113.2°	90.0°
CAD	CAC	HAC1	110.8°	90.0°
CAD	CAC	HAC2	110.9°	90.0°
HAD1	CAD	HAD2	99.2°	90.0°
CAA	CAC	HAC1	110.8°	90.0°
CAA	CAC	HAC2	110.9°	90.0°
CAC	CAA	NAB	110.2°	90.0°
CAC	CAA	HAA	107.1°	90.0°
HAC1	CAC	HAC2	99.4°	90.0°
NAB	CAA	HAA	109.9°	90.0°
CAA	NAB	HAB1	112.2°	90.0°
CAA	NAB	HAB2	109.5°	90.0°
HAB1	NAB	HAB2	112.2°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAQ	CAS	CAM	HAS	180.0°	90.0°
CAS	CAQ	CL1	CAP	179.3°	90.0°
CAS	CAQ	CAP	CAO	0.4°	90.0°
CAS	CAQ	CAP	HAP	179.6°	90.0°
CAQ	CAS	CAM	CAN	1.7°	90.0°
CAQ	CAS	CAM	N6	179.7°	90.0°
CAM	CAS	CAQ	CL1	179.6°	90.0°
CAM	CAS	CAQ	CAP	1.1°	90.0°
CAS	CAM	CAN	CAO	1.6°	90.0°
CAS	CAM	CAN	N6	178.1°	90.0°
CAS	CAM	CAN	HAN	178.4°	90.0°
CAS	CAM	N6	C6	25.1°	90.0°
CAS	CAM	N6	HN6	100.2°	90.0°
HAS	CAS	CAQ	CL1	0.4°	90.0°
HAS	CAS	CAQ	CAP	178.9°	90.0°
HAS	CAS	CAM	CAN	178.3°	90.0°
HAS	CAS	CAM	N6	0.3°	90.0°
CL1	CAQ	CAP	CAO	179.7°	90.0°
CL1	CAQ	CAP	HAP	0.3°	90.0°
CAQ	CAP	CAO	HAP	180.0°	90.0°
CAQ	CAP	CAO	CAN	0.4°	90.0°
CAQ	CAP	CAO	HAO	179.6°	90.0°
CAP	CAO	CAN	HAO	180.0°	90.0°
CAP	CAO	CAN	CAM	1.0°	90.0°
CAP	CAO	CAN	HAN	179.1°	90.0°
HAP	CAP	CAO	CAN	179.6°	90.0°
HAP	CAP	CAO	HAO	0.4°	90.0°
CAO	CAN	CAM	HAN	180.0°	90.0°
CAO	CAN	CAM	N6	179.7°	90.0°
HAO	CAO	CAN	CAM	179.0°	90.0°
HAO	CAO	CAN	HAN	1.0°	90.0°
CAN	CAM	N6	C6	156.9°	90.0°
CAN	CAM	N6	HN6	77.8°	90.0°
HAN	CAN	CAM	N6	0.3°	90.0°
CAM	N6	C6	HN6	125.3°	90.0°
CAM	N6	C6	N1	3.3°	90.0°
CAM	N6	C6	C5	175.6°	90.0°
N6	C6	N1	C5	178.9°	90.0°
N6	C6	N1	C2	179.4°	90.0°
N6	C6	C5	N7	0.8°	90.0°
N6	C6	C5	C4	179.5°	90.0°
HN6	N6	C6	N1	128.5°	90.0°
HN6	N6	C6	C5	50.4°	90.0°
N1	C6	C5	N7	179.8°	90.0°
N1	C6	C5	C4	0.5°	90.0°
C6	N1	C2	N3	0.2°	90.0°
C6	N1	C2	N2	179.2°	90.0°
C5	C6	N1	C2	0.5°	90.0°
C6	C5	N7	C4	179.8°	90.0°
C6	C5	N7	C8	179.7°	90.0°
C6	C5	C4	N9	179.5°	90.0°
C6	C5	C4	N3	0.3°	90.0°
N1	C2	N3	C4	0.0°	90.0°
N1	C2	N3	N2	179.5°	90.0°
N1	C2	N2	CAG	12.2°	90.0°
N1	C2	N2	HN2	137.4°	90.0°
C5	N7	C8	N9	0.1°	90.0°
C5	N7	C8	H8	179.9°	90.0°
N7	C5	C4	N9	0.3°	90.0°
N7	C5	C4	N3	179.9°	90.0°
C4	C5	N7	C8	0.1°	90.0°
C5	C4	N9	C8	0.3°	90.0°
C5	C4	N9	CAZ	179.4°	90.0°
C5	C4	N9	N3	179.8°	90.0°
C5	C4	N3	C2	0.1°	90.0°
N7	C8	N9	H8	180.0°	90.0°
N7	C8	N9	CAZ	179.4°	90.0°
N7	C8	N9	C4	0.3°	90.0°
C8	N9	CAZ	C4	179.0°	90.0°
C8	N9	CAZ	CBA	128.6°	90.0°
C8	N9	CAZ	HAZ1	106.1°	90.0°
C8	N9	CAZ	HAZ2	3.3°	90.0°
C8	N9	C4	N3	179.9°	90.0°
H8	C8	N9	CAZ	0.6°	90.0°
H8	C8	N9	C4	179.7°	90.0°
N9	CAZ	CBA	HAZ1	125.3°	90.0°
N9	CAZ	CBA	HAZ2	125.3°	90.0°
N9	CAZ	HAZ1	HAZ2	117.4°	90.0°
N9	CAZ	CBA	HBA1	54.7°	90.0°
N9	CAZ	CBA	HBA2	180.0°	90.0°
N9	CAZ	CBA	HBA3	54.7°	90.0°
CAZ	N9	C4	N3	0.8°	90.0°
C4	N9	CAZ	CBA	52.4°	90.0°
C4	N9	CAZ	HAZ1	72.9°	90.0°
C4	N9	CAZ	HAZ2	177.7°	90.0°
N9	C4	N3	C2	179.7°	90.0°
CBA	CAZ	HAZ1	HAZ2	117.3°	90.0°
CAZ	CBA	HBA1	HBA2	125.3°	90.0°
CAZ	CBA	HBA1	HBA3	117.3°	90.0°
CAZ	CBA	HBA2	HBA3	125.3°	90.0°
HAZ1	CAZ	CBA	HBA1	180.0°	90.0°
HAZ1	CAZ	CBA	HBA2	54.7°	90.0°
HAZ1	CAZ	CBA	HBA3	70.5°	90.0°
HAZ2	CAZ	CBA	HBA1	70.5°	90.0°
HAZ2	CAZ	CBA	HBA2	54.7°	90.0°
HAZ2	CAZ	CBA	HBA3	180.0°	90.0°
HBA1	CBA	HBA2	HBA3	109.4°	90.0°
C4	N3	C2	N2	179.5°	90.0°
N3	C2	N2	CAG	168.3°	90.0°
N3	C2	N2	HN2	43.1°	90.0°
C2	N2	CAG	HN2	125.3°	90.0°
C2	N2	CAG	CAF	111.6°	90.0°
C2	N2	CAG	CAA	127.2°	90.0°
C2	N2	CAG	HAG	7.3°	90.0°
N2	CAG	CAF	CAA	119.9°	90.0°
N2	CAG	CAF	HAG	120.2°	90.0°
N2	CAG	CAA	HAG	120.2°	90.0°
N2	CAG	CAF	CAE	175.0°	90.0°
N2	CAG	CAF	HAF1	49.8°	90.0°
N2	CAG	CAF	HAF2	59.7°	90.0°
N2	CAG	CAA	CAC	162.4°	90.0°
N2	CAG	CAA	NAB	74.9°	90.0°
N2	CAG	CAA	HAA	44.7°	90.0°
HN2	N2	CAG	CAF	13.6°	90.0°
HN2	N2	CAG	CAA	107.5°	90.0°
HN2	N2	CAG	HAG	132.6°	90.0°
CAF	CAG	CAA	HAG	118.9°	90.0°
CAG	CAF	CAE	HAF1	125.3°	90.0°
CAG	CAF	CAE	HAF2	125.3°	90.0°
CAG	CAF	HAF1	HAF2	117.5°	90.0°
CAG	CAF	CAE	CAD	25.3°	90.0°
CAG	CAF	CAE	HAE1	100.0°	90.0°
CAG	CAF	CAE	HAE2	150.6°	90.0°
CAF	CAG	CAA	CAC	41.6°	90.0°
CAF	CAG	CAA	NAB	164.3°	90.0°
CAF	CAG	CAA	HAA	76.2°	90.0°
CAA	CAG	CAF	CAE	65.0°	90.0°
CAA	CAG	CAF	HAF1	169.7°	90.0°
CAA	CAG	CAF	HAF2	60.2°	90.0°
CAG	CAA	CAC	CAD	17.1°	90.0°
CAG	CAA	CAC	NAB	122.3°	90.0°
CAG	CAA	CAC	HAA	118.1°	90.0°
CAG	CAA	CAC	HAC1	142.3°	90.0°
CAG	CAA	CAC	HAC2	108.2°	90.0°
CAG	CAA	NAB	HAA	118.2°	90.0°
CAG	CAA	NAB	HAB1	54.7°	90.0°
CAG	CAA	NAB	HAB2	180.0°	90.0°
HAG	CAG	CAF	CAE	54.8°	90.0°
HAG	CAG	CAF	HAF1	70.4°	90.0°
HAG	CAG	CAF	HAF2	179.9°	90.0°
HAG	CAG	CAA	CAC	77.3°	90.0°
HAG	CAG	CAA	NAB	45.4°	90.0°
HAG	CAG	CAA	HAA	164.9°	90.0°
CAE	CAF	HAF1	HAF2	117.5°	90.0°
CAF	CAE	CAD	HAE1	125.3°	90.0°
CAF	CAE	CAD	HAE2	125.3°	90.0°
CAF	CAE	HAE1	HAE2	116.7°	90.0°
CAF	CAE	CAD	CAC	33.0°	90.0°
CAF	CAE	CAD	HAD1	92.2°	90.0°
CAF	CAE	CAD	HAD2	158.3°	90.0°
HAF1	CAF	CAE	CAD	150.6°	90.0°
HAF1	CAF	CAE	HAE1	25.3°	90.0°
HAF1	CAF	CAE	HAE2	84.1°	90.0°
HAF2	CAF	CAE	CAD	100.0°	90.0°
HAF2	CAF	CAE	HAE1	134.8°	90.0°
HAF2	CAF	CAE	HAE2	25.3°	90.0°
CAD	CAE	HAE1	HAE2	116.8°	90.0°
CAE	CAD	CAC	HAD1	125.2°	90.0°
CAE	CAD	CAC	HAD2	125.3°	90.0°
CAE	CAD	HAD1	HAD2	117.0°	90.0°
CAE	CAD	CAC	CAA	56.2°	90.0°
CAE	CAD	CAC	HAC1	178.5°	90.0°
CAE	CAD	CAC	HAC2	69.1°	90.0°
HAE1	CAE	CAD	CAC	158.3°	90.0°
HAE1	CAE	CAD	HAD1	33.0°	90.0°
HAE1	CAE	CAD	HAD2	76.4°	90.0°
HAE2	CAE	CAD	CAC	92.3°	90.0°
HAE2	CAE	CAD	HAD1	142.5°	90.0°
HAE2	CAE	CAD	HAD2	33.0°	90.0°
CAC	CAD	HAD1	HAD2	117.1°	90.0°
CAD	CAC	CAA	HAC1	125.2°	90.0°
CAD	CAC	CAA	HAC2	125.3°	90.0°
CAD	CAC	HAC1	HAC2	116.7°	90.0°
CAD	CAC	CAA	NAB	105.3°	90.0°
CAD	CAC	CAA	HAA	135.2°	90.0°
HAD1	CAD	CAC	CAA	69.0°	90.0°
HAD1	CAD	CAC	HAC1	56.2°	90.0°
HAD1	CAD	CAC	HAC2	165.7°	90.0°
HAD2	CAD	CAC	CAA	178.5°	90.0°
HAD2	CAD	CAC	HAC1	53.3°	90.0°
HAD2	CAD	CAC	HAC2	56.2°	90.0°
CAA	CAC	HAC1	HAC2	116.7°	90.0°
CAC	CAA	NAB	HAA	117.8°	90.0°
CAC	CAA	NAB	HAB1	178.7°	90.0°
CAC	CAA	NAB	HAB2	56.0°	90.0°
HAC1	CAC	CAA	NAB	20.0°	90.0°
HAC1	CAC	CAA	HAA	99.6°	90.0°
HAC2	CAC	CAA	NAB	129.4°	90.0°
HAC2	CAC	CAA	HAA	9.9°	90.0°
CAA	NAB	HAB1	HAB2	123.8°	90.0°
HAA	CAA	NAB	HAB1	63.5°	90.0°
HAA	CAA	NAB	HAB2	61.8°	90.0°

Definition date:	2005-12-01
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	2F57