NZ4

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	C8	doub	1.22Å	1.23Å
C9	N2	sing	1.47Å	1.46Å
C9	C10	sing	1.53Å	1.51Å
C8	N2	sing	1.35Å	1.36Å
C8	N1	sing	1.35Å	1.37Å
N2	C12	sing	1.47Å	1.46Å
C6	C5	doub	1.38Å	1.38Å	Aromatic
C6	C7	sing	1.39Å	1.40Å	Aromatic
C5	C4	sing	1.38Å	1.39Å	Aromatic
N1	C7	sing	1.40Å	1.41Å
C7	C13	doub	1.39Å	1.39Å	Aromatic
C4	C3	doub	1.40Å	1.39Å	Aromatic
C10	O3	sing	1.43Å	1.43Å
C13	C3	sing	1.40Å	1.39Å	Aromatic
C3	C2	sing	1.47Å	1.50Å
C2	O1	doub	1.21Å	1.22Å
C2	C1	sing	1.51Å	1.50Å
C12	C11	sing	1.53Å	1.51Å
C11	O3	sing	1.43Å	1.42Å
N1	H1	sing	0.97Å	1.00Å
C4	H2	sing	1.08Å	1.08Å
C5	H3	sing	1.08Å	1.08Å
C6	H4	sing	1.08Å	1.08Å
C10	H5	sing	1.09Å	1.10Å
C10	H6	sing	1.09Å	1.10Å
C13	H7	sing	1.08Å	1.08Å
C1	H8	sing	1.09Å	1.10Å
C1	H9	sing	1.09Å	1.10Å
C1	H10	sing	1.09Å	1.10Å
C11	H11	sing	1.09Å	1.10Å
C11	H12	sing	1.09Å	1.10Å
C12	H13	sing	1.09Å	1.10Å
C12	H14	sing	1.09Å	1.10Å
C9	H15	sing	1.09Å	1.10Å
C9	H16	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	C8	N2	121.9°	120.0°
O2	C8	N1	121.6°	120.0°
N2	C9	C10	109.4°	108.4°
C9	N2	C8	123.3°	121.0°
C9	N2	C12	112.9°	118.0°
N2	C9	H15	109.5°	109.7°
N2	C9	H16	109.5°	109.7°
C9	C10	O3	113.1°	109.2°
C9	C10	H5	108.6°	109.5°
C9	C10	H6	108.5°	109.6°
C10	C9	H15	109.5°	109.7°
C10	C9	H16	109.5°	109.7°
N2	C8	N1	116.5°	120.0°
C8	N2	C12	123.9°	121.0°
C8	N1	C7	125.2°	120.0°
C8	N1	H1	117.4°	120.0°
N2	C12	C11	110.7°	108.4°
N2	C12	H13	109.2°	109.7°
N2	C12	H14	109.2°	109.7°
C5	C6	C7	119.8°	120.3°
C6	C5	C4	120.7°	120.3°
C6	C5	H3	119.6°	119.9°
C5	C6	H4	120.1°	119.9°
C6	C7	N1	121.8°	119.9°
C6	C7	C13	119.3°	120.0°
C7	C6	H4	120.1°	119.9°
C5	C4	C3	120.4°	119.9°
C5	C4	H2	119.8°	120.0°
C4	C5	H3	119.7°	119.9°
N1	C7	C13	118.9°	120.0°
C7	N1	H1	117.4°	119.9°
C7	C13	C3	121.0°	119.7°
C7	C13	H7	119.5°	120.1°
C4	C3	C13	118.8°	119.8°
C4	C3	C2	120.7°	120.1°
C3	C4	H2	119.7°	120.0°
C10	O3	C11	111.9°	114.2°
O3	C10	H5	108.6°	109.5°
O3	C10	H6	108.5°	109.5°
C13	C3	C2	120.5°	120.1°
C3	C13	H7	119.5°	120.2°
C3	C2	O1	119.7°	120.0°
C3	C2	C1	120.4°	120.0°
O1	C2	C1	119.8°	120.0°
C2	C1	H8	109.5°	109.5°
C2	C1	H9	109.5°	109.5°
C2	C1	H10	109.4°	109.5°
C12	C11	O3	112.5°	109.2°
C12	C11	H11	108.7°	109.5°
C12	C11	H12	108.7°	109.5°
C11	C12	H13	109.2°	109.7°
C11	C12	H14	109.2°	109.7°
O3	C11	H11	108.7°	109.5°
O3	C11	H12	108.7°	109.6°
H5	C10	H6	109.5°	109.5°
H8	C1	H9	109.5°	109.5°
H8	C1	H10	109.5°	109.5°
H9	C1	H10	109.5°	109.5°
H11	C11	H12	109.5°	109.6°
H13	C12	H14	109.5°	109.7°
H15	C9	H16	109.5°	109.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C8	N2	C9	2.0°	6.3°
O2	C8	N2	N1	179.9°	180.0°
O2	C8	N2	C12	176.4°	173.6°
O2	C8	N1	C7	19.1°	9.7°
O2	C8	N1	H1	160.9°	170.0°
N2	C9	C10	H15	120.0°	119.7°
N2	C9	C10	H16	120.0°	119.8°
C9	N2	C8	C12	178.4°	179.9°
C9	N2	C8	N1	177.9°	173.6°
N2	C9	C10	O3	59.1°	52.3°
C9	N2	C12	C11	6.7°	50.5°
N2	C9	C10	H5	179.7°	172.3°
N2	C9	C10	H6	61.4°	67.7°
C9	N2	C12	H13	113.5°	69.2°
C9	N2	C12	H14	126.9°	170.3°
N2	C9	H15	H16	120.0°	120.5°
C10	C9	N2	C8	130.8°	129.5°
C10	C9	N2	C12	47.8°	50.6°
C9	C10	O3	H5	120.6°	119.9°
C9	C10	O3	H6	120.5°	120.0°
C9	C10	O3	C11	9.6°	62.6°
C9	C10	H5	H6	118.3°	120.1°
C10	C9	H15	H16	120.0°	120.6°
N2	C8	N1	C7	160.9°	170.4°
C8	N2	C12	C11	174.8°	129.5°
N2	C8	N1	H1	19.1°	10.0°
C8	N2	C12	H13	65.0°	110.8°
C8	N2	C12	H14	54.6°	9.7°
C8	N2	C9	H15	109.2°	9.8°
C8	N2	C9	H16	10.8°	110.7°
N1	C8	N2	C12	3.7°	6.5°
C8	N1	C7	C6	23.6°	22.3°
C8	N1	C7	H1	180.0°	179.7°
C8	N1	C7	C13	156.4°	157.6°
N2	C12	C11	H13	120.2°	119.7°
N2	C12	C11	H14	120.2°	119.8°
N2	C12	C11	O3	57.9°	52.3°
N2	C12	C11	H11	178.3°	67.6°
N2	C12	C11	H12	62.5°	172.3°
N2	C12	H13	H14	119.4°	120.5°
C12	N2	C9	H15	72.2°	170.2°
C12	N2	C9	H16	167.8°	69.2°
C5	C6	C7	H4	180.0°	180.0°
C6	C5	C4	H3	180.0°	179.9°
C5	C6	C7	N1	179.9°	180.0°
C5	C6	C7	C13	0.1°	0.0°
C6	C5	C4	C3	0.2°	0.1°
C6	C5	C4	H2	179.8°	179.7°
C7	C6	C5	C4	0.2°	0.0°
C6	C7	N1	C13	180.0°	180.0°
C6	C7	C13	C3	0.4°	0.0°
C6	C7	N1	H1	156.4°	157.3°
C7	C6	C5	H3	179.8°	180.0°
C6	C7	C13	H7	179.6°	179.9°
C5	C4	C3	H2	180.0°	179.8°
C5	C4	C3	C13	0.1°	0.1°
C5	C4	C3	C2	179.9°	179.8°
C4	C5	C6	H4	179.8°	180.0°
N1	C7	C13	C3	179.6°	180.0°
N1	C7	C6	H4	0.1°	0.0°
N1	C7	C13	H7	0.4°	0.0°
C7	C13	C3	C4	0.4°	0.0°
C7	C13	C3	H7	180.0°	179.9°
C7	C13	C3	C2	179.6°	179.8°
C13	C7	N1	H1	23.6°	22.7°
C13	C7	C6	H4	179.9°	180.0°
C4	C3	C13	C2	180.0°	179.7°
C4	C3	C2	O1	5.9°	180.0°
C4	C3	C2	C1	174.1°	0.0°
C3	C4	C5	H3	179.8°	180.0°
C4	C3	C13	H7	179.6°	180.0°
C10	O3	C11	C12	47.7°	62.6°
O3	C10	H5	H6	118.3°	120.1°
C10	O3	C11	H11	168.2°	57.3°
C10	O3	C11	H12	72.7°	177.4°
O3	C10	C9	H15	60.9°	172.0°
O3	C10	C9	H16	179.1°	67.4°
C13	C3	C2	O1	174.1°	0.2°
C13	C3	C2	C1	5.8°	179.7°
C13	C3	C4	H2	179.9°	179.7°
C3	C2	O1	C1	180.0°	180.0°
C2	C3	C4	H2	0.1°	0.0°
C2	C3	C13	H7	0.4°	0.3°
C3	C2	C1	H8	180.0°	90.0°
C3	C2	C1	H9	60.0°	30.0°
C3	C2	C1	H10	60.0°	150.0°
O1	C2	C1	H8	0.0°	90.0°
O1	C2	C1	H9	120.0°	150.0°
O1	C2	C1	H10	120.0°	30.0°
C2	C1	H8	H9	120.0°	120.0°
C2	C1	H8	H10	120.0°	120.0°
C2	C1	H9	H10	120.0°	120.0°
C12	C11	O3	H11	120.4°	119.9°
C12	C11	O3	H12	120.4°	120.0°
C12	C11	H11	H12	118.6°	120.2°
C11	C12	H13	H14	119.4°	120.6°
C11	O3	C10	H5	130.2°	177.5°
C11	O3	C10	H6	110.9°	57.4°
O3	C11	H11	H12	118.6°	120.1°
O3	C11	C12	H13	62.3°	67.4°
O3	C11	C12	H14	178.1°	172.0°
H2	C4	C5	H3	0.2°	0.2°
H3	C5	C6	H4	0.2°	0.1°
H5	C10	C9	H15	59.7°	68.1°
H5	C10	C9	H16	60.3°	52.5°
H6	C10	C9	H15	178.6°	52.0°
H6	C10	C9	H16	58.6°	172.6°
H8	C1	H9	H10	120.0°	120.0°
H11	C11	C12	H13	58.2°	172.7°
H11	C11	C12	H14	61.5°	52.2°
H12	C11	C12	H13	177.3°	52.6°
H12	C11	C12	H14	57.7°	68.0°

Release date:	2019-07-10
Definition date:	2019-05-29
Last modified:	2019-07-05
Release status:	REL
Processing site:	RCSB
Derived from:	5QS0