95F

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAC	CAB	sing	1.53Å	1.53Å
CAA	C6	sing	1.51Å	1.40Å
CAB	C5	sing	1.51Å	1.41Å
C6	C5	doub	1.38Å	1.40Å	Aromatic
C6	N1	sing	1.33Å	1.34Å	Aromatic
C5	C4	sing	1.40Å	1.42Å	Aromatic
CAH	CAI	sing	1.53Å	1.53Å
CAH	NAG	sing	1.47Å	1.50Å
CAI	OAO	sing	1.43Å	1.43Å
N1	C2	doub	1.32Å	1.34Å	Aromatic
C4	NAG	sing	1.39Å	1.36Å
C4	N3	doub	1.33Å	1.36Å	Aromatic
NAG	CAM	sing	1.47Å	1.49Å
C2	N3	sing	1.32Å	1.34Å	Aromatic
C2	NAP	sing	1.38Å	1.33Å
OAO	CAN	sing	1.43Å	1.43Å
CAM	CAN	sing	1.53Å	1.53Å
CAH	H1	sing	1.09Å	1.10Å
CAH	H2	sing	1.09Å	1.10Å
CAI	H3	sing	1.09Å	1.10Å
CAI	H4	sing	1.09Å	1.10Å
CAN	H5	sing	1.09Å	1.10Å
CAN	H6	sing	1.09Å	1.10Å
CAM	H7	sing	1.09Å	1.10Å
CAM	H8	sing	1.09Å	1.10Å
NAP	H9	sing	0.97Å	1.00Å
NAP	H10	sing	0.97Å	1.00Å
CAA	H11	sing	1.09Å	1.10Å
CAA	H12	sing	1.09Å	1.10Å
CAA	H13	sing	1.09Å	1.10Å
CAB	H14	sing	1.09Å	1.10Å
CAB	H15	sing	1.09Å	1.10Å
CAC	H16	sing	1.09Å	1.10Å
CAC	H17	sing	1.09Å	1.10Å
CAC	H18	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAC	CAB	C5	113.7°	109.5°
CAC	CAB	H14	108.4°	109.4°
CAC	CAB	H15	108.4°	109.5°
CAB	CAC	H16	109.5°	109.5°
CAB	CAC	H17	109.5°	109.4°
CAB	CAC	H18	109.5°	109.6°
CAA	C6	C5	121.8°	120.3°
CAA	C6	N1	117.7°	120.4°
C6	CAA	H11	109.5°	109.5°
C6	CAA	H12	109.4°	109.4°
C6	CAA	H13	109.5°	109.5°
CAB	C5	C6	118.4°	120.8°
CAB	C5	C4	124.4°	120.7°
C5	CAB	H14	108.4°	109.5°
C5	CAB	H15	108.4°	109.5°
C5	C6	N1	120.5°	119.3°
C6	C5	C4	117.1°	118.5°
C6	N1	C2	121.7°	120.9°
C5	C4	NAG	126.3°	120.5°
C5	C4	N3	118.7°	119.1°
CAI	CAH	NAG	115.3°	109.2°
CAH	CAI	OAO	111.6°	109.3°
CAI	CAH	H1	108.0°	109.5°
CAI	CAH	H2	108.0°	109.5°
CAH	CAI	H3	108.9°	109.5°
CAH	CAI	H4	108.9°	109.5°
CAH	NAG	C4	126.4°	111.0°
CAH	NAG	CAM	118.6°	110.8°
NAG	CAH	H1	108.0°	109.5°
NAG	CAH	H2	108.0°	109.5°
CAI	OAO	CAN	107.4°	113.8°
OAO	CAI	H3	108.9°	109.5°
OAO	CAI	H4	108.9°	109.5°
N1	C2	N3	119.7°	121.7°
N1	C2	NAP	119.5°	119.2°
NAG	C4	N3	115.0°	120.4°
C4	NAG	CAM	114.9°	111.0°
C4	N3	C2	122.2°	120.6°
NAG	CAM	CAN	113.9°	109.3°
NAG	CAM	H7	108.3°	109.5°
NAG	CAM	H8	108.3°	109.6°
N3	C2	NAP	120.7°	119.2°
C2	NAP	H9	109.5°	120.0°
C2	NAP	H10	109.4°	120.0°
OAO	CAN	CAM	110.3°	109.2°
OAO	CAN	H5	109.3°	109.5°
OAO	CAN	H6	109.3°	109.5°
CAM	CAN	H5	109.3°	109.5°
CAM	CAN	H6	109.3°	109.6°
CAN	CAM	H7	108.4°	109.5°
CAN	CAM	H8	108.3°	109.5°
H1	CAH	H2	109.5°	109.5°
H3	CAI	H4	109.4°	109.5°
H5	CAN	H6	109.4°	109.5°
H7	CAM	H8	109.5°	109.5°
H9	NAP	H10	109.5°	120.0°
H11	CAA	H12	109.5°	109.5°
H11	CAA	H13	109.5°	109.5°
H12	CAA	H13	109.5°	109.5°
H14	CAB	H15	109.5°	109.5°
H16	CAC	H17	109.4°	109.4°
H16	CAC	H18	109.5°	109.5°
H17	CAC	H18	109.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAC	CAB	C5	H14	120.6°	119.9°
CAC	CAB	C5	H15	120.6°	120.0°
CAC	CAB	C5	C6	88.2°	85.3°
CAC	CAB	C5	C4	93.9°	95.4°
CAC	CAB	H14	H15	118.1°	120.0°
CAB	CAC	H16	H17	120.0°	120.0°
CAB	CAC	H16	H18	120.0°	120.1°
CAB	CAC	H17	H18	120.0°	120.1°
CAA	C6	C5	CAB	2.7°	0.6°
CAA	C6	C5	N1	178.3°	179.1°
CAA	C6	C5	C4	179.2°	180.0°
CAA	C6	N1	C2	179.7°	179.7°
C6	CAA	H11	H12	120.0°	120.0°
C6	CAA	H11	H13	120.0°	120.0°
C6	CAA	H12	H13	120.0°	120.0°
CAB	C5	C6	C4	178.1°	179.4°
CAB	C5	C6	N1	179.0°	179.7°
CAB	C5	C4	NAG	0.6°	0.0°
CAB	C5	C4	N3	178.2°	180.0°
C5	CAB	H14	H15	118.1°	120.1°
C5	CAB	CAC	H16	180.0°	175.0°
C5	CAB	CAC	H17	60.0°	55.1°
C5	CAB	CAC	H18	60.0°	64.9°
C5	C6	N1	C2	1.3°	0.6°
C6	C5	C4	NAG	177.4°	179.4°
C6	C5	C4	N3	0.2°	0.6°
C5	C6	CAA	H11	178.4°	90.0°
C5	C6	CAA	H12	58.4°	150.0°
C5	C6	CAA	H13	61.6°	30.1°
C6	C5	CAB	H14	32.5°	34.7°
C6	C5	CAB	H15	151.2°	154.7°
N1	C6	C5	C4	0.9°	0.9°
C6	N1	C2	N3	1.1°	0.0°
C6	N1	C2	NAP	180.0°	179.7°
N1	C6	CAA	H11	0.0°	89.1°
N1	C6	CAA	H12	120.0°	30.9°
N1	C6	CAA	H13	120.0°	150.8°
C5	C4	NAG	CAH	43.4°	115.0°
C5	C4	NAG	N3	177.7°	180.0°
C5	C4	NAG	CAM	135.2°	121.3°
C5	C4	N3	C2	0.1°	0.1°
C4	C5	CAB	H14	145.5°	144.7°
C4	C5	CAB	H15	26.7°	24.6°
CAI	CAH	NAG	H1	120.9°	119.9°
CAI	CAH	NAG	H2	120.9°	119.9°
CAH	CAI	OAO	H3	120.3°	120.0°
CAH	CAI	OAO	H4	120.3°	119.9°
CAI	CAH	NAG	C4	167.7°	177.6°
CAI	CAH	NAG	CAM	13.8°	58.6°
CAH	CAI	OAO	CAN	65.9°	58.7°
CAI	CAH	H1	H2	117.3°	120.1°
CAH	CAI	H3	H4	119.0°	120.1°
NAG	CAH	CAI	OAO	37.0°	56.8°
CAH	NAG	C4	CAM	178.6°	123.7°
CAH	NAG	C4	N3	138.9°	65.0°
CAH	NAG	CAM	CAN	18.2°	58.6°
NAG	CAH	H1	H2	117.3°	120.1°
NAG	CAH	CAI	H3	157.4°	63.1°
NAG	CAH	CAI	H4	83.3°	176.8°
CAH	NAG	CAM	H7	138.9°	178.6°
CAH	NAG	CAM	H8	102.4°	61.4°
CAI	OAO	CAN	CAM	71.0°	58.6°
OAO	CAI	CAH	H1	157.9°	63.1°
OAO	CAI	CAH	H2	83.8°	176.8°
OAO	CAI	H3	H4	119.0°	120.1°
CAI	OAO	CAN	H5	168.9°	61.2°
CAI	OAO	CAN	H6	49.2°	178.7°
N1	C2	N3	C4	0.5°	0.3°
N1	C2	N3	NAP	178.9°	179.7°
N1	C2	NAP	H9	0.0°	179.7°
N1	C2	NAP	H10	120.0°	0.3°
NAG	C4	N3	C2	177.8°	180.0°
C4	NAG	CAM	CAN	163.1°	177.6°
C4	NAG	CAH	H1	46.8°	62.5°
C4	NAG	CAH	H2	71.4°	57.6°
C4	NAG	CAM	H7	42.4°	57.6°
C4	NAG	CAM	H8	76.3°	62.5°
N3	C4	NAG	CAM	42.5°	58.7°
C4	N3	C2	NAP	179.4°	180.0°
NAG	CAM	CAN	OAO	46.3°	56.8°
NAG	CAM	CAN	H7	120.6°	120.0°
NAG	CAM	CAN	H8	120.6°	120.0°
CAM	NAG	CAH	H1	134.6°	61.3°
CAM	NAG	CAH	H2	107.1°	178.5°
NAG	CAM	CAN	H5	166.4°	63.1°
NAG	CAM	CAN	H6	73.9°	176.8°
NAG	CAM	H7	H8	118.0°	120.2°
N3	C2	NAP	H9	178.9°	0.0°
N3	C2	NAP	H10	61.1°	180.0°
C2	NAP	H9	H10	120.0°	179.9°
OAO	CAN	CAM	H5	120.2°	119.9°
OAO	CAN	CAM	H6	120.2°	120.0°
CAN	OAO	CAI	H3	173.8°	61.3°
CAN	OAO	CAI	H4	54.4°	178.6°
OAO	CAN	H5	H6	119.6°	120.1°
OAO	CAN	CAM	H7	166.9°	176.8°
OAO	CAN	CAM	H8	74.4°	63.2°
CAM	CAN	H5	H6	119.6°	120.2°
CAN	CAM	H7	H8	118.0°	120.0°
H1	CAH	CAI	H3	81.7°	177.0°
H1	CAH	CAI	H4	37.6°	56.9°
H2	CAH	CAI	H3	36.6°	56.8°
H2	CAH	CAI	H4	155.8°	63.3°
H5	CAN	CAM	H7	72.9°	56.9°
H5	CAN	CAM	H8	45.8°	176.9°
H6	CAN	CAM	H7	46.8°	63.2°
H6	CAN	CAM	H8	165.5°	56.8°
H11	CAA	H12	H13	120.0°	120.0°
H14	CAB	CAC	H16	59.4°	65.0°
H14	CAB	CAC	H17	60.7°	175.0°
H14	CAB	CAC	H18	179.4°	55.0°
H15	CAB	CAC	H16	59.4°	55.0°
H15	CAB	CAC	H17	179.4°	64.9°
H15	CAB	CAC	H18	60.6°	175.1°
H16	CAC	H17	H18	120.0°	119.9°

Release date:	2020-10-28
Definition date:	2017-12-22
Last modified:	2020-10-23
Release status:	REL
Processing site:	PDBJ
Derived from:	5YZR