2NA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.40Å	1.43Å	Aromatic
C1	C6	sing	1.42Å	1.48Å	Aromatic
C1	C30	sing	1.41Å	1.45Å	Aromatic
C2	C3	sing	1.36Å	1.57Å	Aromatic
C3	C4	doub	1.39Å	1.43Å	Aromatic
C3	C31	sing	1.51Å	1.55Å
C4	C5	sing	1.36Å	1.40Å	Aromatic
C5	C6	doub	1.40Å	1.56Å	Aromatic
C6	C7	sing	1.41Å	1.44Å	Aromatic
C7	C8	doub	1.36Å	1.54Å	Aromatic
C8	C9	sing	1.39Å	1.42Å	Aromatic
C9	C30	doub	1.36Å	1.40Å	Aromatic
C31	O31	sing	1.43Å	1.46Å
C2	H2	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C7	H7	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å
C30	H30	sing	1.08Å	1.08Å
C31	H31	sing	1.09Å	1.10Å
C31	H31A	sing	1.09Å	1.10Å
O31	HO31	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	119.3°	119.4°
C2	C1	C30	120.7°	121.3°
C1	C2	C3	119.9°	119.6°
C1	C2	H2	120.1°	120.2°
C6	C1	C30	120.0°	119.3°
C1	C6	C5	119.5°	119.4°
C1	C6	C7	119.2°	119.4°
C1	C30	C9	121.5°	119.7°
C1	C30	H30	119.3°	120.1°
C2	C3	C4	119.4°	121.1°
C2	C3	C31	119.6°	119.5°
C3	C2	H2	120.1°	120.2°
C4	C3	C31	120.7°	119.5°
C3	C4	C5	122.0°	120.9°
C3	C4	H4	119.0°	119.5°
C3	C31	O31	112.4°	109.5°
C3	C31	H31	108.5°	109.4°
C3	C31	H31A	107.9°	109.5°
C4	C5	C6	120.0°	119.7°
C5	C4	H4	119.0°	119.5°
C4	C5	H5	120.0°	120.1°
C5	C6	C7	121.3°	121.3°
C6	C5	H5	120.0°	120.2°
C6	C7	C8	118.5°	119.7°
C6	C7	H7	120.7°	120.2°
C7	C8	C9	119.7°	121.0°
C8	C7	H7	120.8°	120.2°
C7	C8	H8	120.2°	119.5°
C8	C9	C30	121.2°	121.0°
C9	C8	H8	120.2°	119.5°
C8	C9	H9	119.4°	119.5°
C30	C9	H9	119.4°	119.5°
C9	C30	H30	119.3°	120.2°
O31	C31	H31	108.5°	109.5°
O31	C31	H31A	107.9°	109.5°
C31	O31	HO31	109.5°	114.0°
H31	C31	H31A	111.8°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	C30	180.0°	179.8°
C1	C2	C3	H2	180.0°	180.0°
C1	C2	C3	C4	0.2°	0.0°
C1	C2	C3	C31	173.1°	180.0°
C2	C1	C6	C5	0.4°	0.0°
C2	C1	C6	C7	179.8°	180.0°
C2	C1	C30	C9	180.0°	179.8°
C2	C1	C30	H30	0.0°	0.1°
C6	C1	C2	C3	0.2°	0.0°
C1	C6	C5	C4	0.2°	0.1°
C1	C6	C5	C7	179.8°	180.0°
C1	C6	C7	C8	0.2°	0.0°
C6	C1	C30	C9	0.0°	0.4°
C6	C1	C2	H2	179.8°	179.9°
C1	C6	C5	H5	179.8°	180.0°
C1	C6	C7	H7	179.7°	179.9°
C6	C1	C30	H30	180.0°	179.7°
C30	C1	C2	C3	179.8°	179.8°
C30	C1	C6	C5	179.6°	179.8°
C30	C1	C6	C7	0.2°	0.2°
C1	C30	C9	C8	0.2°	0.4°
C1	C30	C9	H30	180.0°	179.9°
C30	C1	C2	H2	0.2°	0.3°
C1	C30	C9	H9	179.8°	179.8°
C2	C3	C4	C31	173.2°	180.0°
C2	C3	C4	C5	0.4°	0.0°
C2	C3	C31	O31	95.1°	90.0°
C2	C3	C4	H4	179.6°	180.0°
C2	C3	C31	H31	24.9°	150.0°
C2	C3	C31	H31A	146.2°	30.0°
C3	C4	C5	H4	180.0°	179.9°
C3	C4	C5	C6	0.2°	0.1°
C4	C3	C31	O31	78.1°	90.0°
C4	C3	C2	H2	179.8°	179.9°
C3	C4	C5	H5	179.8°	180.0°
C4	C3	C31	H31	161.9°	30.0°
C4	C3	C31	H31A	40.6°	150.0°
C31	C3	C4	C5	172.8°	180.0°
C3	C31	O31	H31	120.0°	120.0°
C3	C31	O31	H31A	118.7°	120.0°
C31	C3	C2	H2	6.9°	0.1°
C31	C3	C4	H4	7.2°	0.0°
C3	C31	H31	H31A	118.8°	119.9°
C3	C31	O31	HO31	108.0°	180.0°
C4	C5	C6	H5	180.0°	179.9°
C4	C5	C6	C7	180.0°	179.9°
C5	C6	C7	C8	179.6°	180.0°
C6	C5	C4	H4	179.8°	180.0°
C5	C6	C7	H7	0.4°	0.1°
C6	C7	C8	H7	180.0°	179.9°
C6	C7	C8	C9	0.1°	0.0°
C7	C6	C5	H5	0.0°	0.0°
C6	C7	C8	H8	179.9°	180.0°
C7	C8	C9	H8	180.0°	180.0°
C7	C8	C9	C30	0.1°	0.2°
C7	C8	C9	H9	179.9°	180.0°
C8	C9	C30	H9	180.0°	179.8°
C9	C8	C7	H7	179.9°	179.9°
C8	C9	C30	H30	179.8°	179.7°
C30	C9	C8	H8	179.9°	179.8°
O31	C31	H31	H31A	118.8°	120.1°
H4	C4	C5	H5	0.2°	0.0°
H7	C7	C8	H8	0.1°	0.0°
H8	C8	C9	H9	0.1°	0.0°
H9	C9	C30	H30	0.2°	0.1°
H31	C31	O31	HO31	132.0°	60.0°
H31A	C31	O31	HO31	10.8°	60.0°

Definition date:	2008-09-10
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB