ZU6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C9	C10	doub	1.39Å	1.38Å	Aromatic
C9	C8	sing	1.38Å	1.38Å	Aromatic
C10	C11	sing	1.38Å	1.38Å	Aromatic
C8	C7	doub	1.40Å	1.39Å	Aromatic
C11	C12	doub	1.39Å	1.40Å	Aromatic
C7	C12	sing	1.41Å	1.40Å	Aromatic
C7	N2	sing	1.36Å	1.39Å
C12	C13	sing	1.47Å	1.44Å
N2	C3	doub	1.30Å	1.29Å
C13	O2	doub	1.22Å	1.23Å
C13	N1	sing	1.35Å	1.40Å
O	C6	doub	1.21Å	1.28Å
C3	N1	sing	1.36Å	1.40Å
C3	C4	sing	1.51Å	1.49Å
N1	C2	sing	1.46Å	1.45Å
C5	C6	sing	1.51Å	1.50Å
C5	C4	sing	1.53Å	1.51Å
C6	O1	sing	1.34Å	1.23Å
C2	C1	sing	1.51Å	1.52Å
C1	O3	doub	1.21Å	1.23Å
C1	N	sing	1.35Å	1.33Å
N	C	sing	1.46Å	1.46Å
C10	H1	sing	1.08Å	1.08Å
C11	H2	sing	1.08Å	1.08Å
N	H3	sing	0.97Å	1.00Å
C	H4	sing	1.09Å	1.10Å
C	H5	sing	1.09Å	1.10Å
C	H6	sing	1.09Å	1.10Å
C2	H7	sing	1.09Å	1.10Å
C2	H8	sing	1.09Å	1.10Å
C9	H9	sing	1.08Å	1.08Å
C8	H10	sing	1.08Å	1.08Å
C4	H11	sing	1.09Å	1.10Å
C4	H12	sing	1.09Å	1.10Å
C5	H13	sing	1.09Å	1.10Å
C5	H14	sing	1.09Å	1.10Å
O1	H15	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	C9	C8	120.3°	120.8°
C9	C10	C11	120.8°	120.6°
C9	C10	H1	119.6°	119.7°
C10	C9	H9	119.9°	119.6°
C9	C8	C7	120.1°	119.7°
C8	C9	H9	119.8°	119.6°
C9	C8	H10	120.0°	120.1°
C10	C11	C12	119.3°	119.5°
C11	C10	H1	119.6°	119.7°
C10	C11	H2	120.3°	120.3°
C8	C7	C12	119.6°	119.3°
C8	C7	N2	118.1°	121.7°
C7	C8	H10	119.9°	120.2°
C11	C12	C7	119.8°	120.0°
C11	C12	C13	120.8°	122.0°
C12	C11	H2	120.3°	120.2°
C12	C7	N2	122.3°	119.0°
C7	C12	C13	119.2°	118.0°
C7	N2	C3	118.3°	121.6°
C12	C13	O2	124.6°	121.3°
C12	C13	N1	115.0°	117.4°
N2	C3	N1	123.2°	123.4°
N2	C3	C4	118.8°	118.3°
O2	C13	N1	120.2°	121.3°
C13	N1	C3	122.0°	120.6°
C13	N1	C2	117.8°	119.7°
O	C6	C5	114.7°	120.0°
O	C6	O1	124.1°	120.0°
N1	C3	C4	118.0°	118.3°
C3	N1	C2	120.2°	119.7°
C3	C4	C5	114.4°	109.5°
C3	C4	H11	108.2°	109.5°
C3	C4	H12	108.2°	109.5°
N1	C2	C1	111.6°	109.4°
N1	C2	H7	109.0°	109.4°
N1	C2	H8	108.9°	109.5°
C6	C5	C4	114.2°	109.5°
C5	C6	O1	121.2°	120.0°
C6	C5	H13	108.3°	109.5°
C6	C5	H14	108.3°	109.5°
C5	C4	H11	108.2°	109.4°
C5	C4	H12	108.2°	109.5°
C4	C5	H13	108.3°	109.4°
C4	C5	H14	108.3°	109.5°
C6	O1	H15	109.5°	117.0°
C2	C1	O3	119.7°	120.0°
C2	C1	N	118.1°	120.0°
C1	C2	H7	108.9°	109.5°
C1	C2	H8	109.0°	109.5°
O3	C1	N	122.1°	120.0°
C1	N	C	121.9°	120.0°
C1	N	H3	119.1°	119.9°
C	N	H3	119.0°	120.1°
N	C	H4	109.5°	109.5°
N	C	H5	109.5°	109.5°
N	C	H6	109.4°	109.5°
H4	C	H5	109.4°	109.4°
H4	C	H6	109.5°	109.5°
H5	C	H6	109.5°	109.4°
H7	C2	H8	109.5°	109.5°
H11	C4	H12	109.4°	109.5°
H13	C5	H14	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	C9	C8	H9	180.0°	179.9°
C9	C10	C11	H1	180.0°	179.8°
C10	C9	C8	C7	1.4°	0.5°
C9	C10	C11	C12	0.9°	0.2°
C9	C10	C11	H2	179.1°	179.8°
C10	C9	C8	H10	178.6°	179.9°
C8	C9	C10	C11	1.5°	0.0°
C9	C8	C7	H10	180.0°	179.5°
C9	C8	C7	C12	0.7°	0.8°
C9	C8	C7	N2	178.7°	180.0°
C8	C9	C10	H1	178.6°	179.7°
C10	C11	C12	H2	180.0°	180.0°
C10	C11	C12	C7	0.2°	0.0°
C10	C11	C12	C13	175.9°	179.9°
C11	C10	C9	H9	178.5°	180.0°
C8	C7	C12	C11	0.1°	0.5°
C8	C7	C12	N2	178.0°	179.2°
C8	C7	C12	C13	176.0°	179.4°
C8	C7	N2	C3	175.7°	180.0°
C7	C8	C9	H9	178.7°	179.5°
C11	C12	C7	C13	176.1°	179.9°
C11	C12	C7	N2	178.0°	179.7°
C11	C12	C13	O2	3.5°	0.9°
C11	C12	C13	N1	177.6°	179.1°
C12	C11	C10	H1	179.1°	180.0°
C12	C7	N2	C3	2.3°	0.8°
C7	C12	C13	O2	172.6°	179.2°
C7	C12	C13	N1	1.5°	1.0°
C7	C12	C11	H2	179.8°	180.0°
C12	C7	C8	H10	179.3°	179.7°
N2	C7	C12	C13	1.9°	0.2°
C7	N2	C3	N1	2.3°	0.0°
C7	N2	C3	C4	179.6°	180.0°
N2	C7	C8	H10	1.3°	0.5°
C12	C13	O2	N1	173.8°	178.1°
C12	C13	N1	C3	1.5°	1.8°
C12	C13	N1	C2	179.3°	178.2°
C13	C12	C11	H2	4.2°	0.1°
N2	C3	N1	C13	2.0°	1.3°
N2	C3	N1	C4	178.1°	180.0°
N2	C3	N1	C2	178.8°	178.7°
N2	C3	C4	C5	6.3°	0.0°
N2	C3	C4	H11	127.1°	120.0°
N2	C3	C4	H12	114.4°	120.0°
O2	C13	N1	C3	172.8°	180.0°
O2	C13	N1	C2	6.4°	0.0°
C13	N1	C3	C2	179.2°	180.0°
C13	N1	C3	C4	179.8°	178.7°
C13	N1	C2	C1	90.9°	90.0°
C13	N1	C2	H7	29.5°	30.0°
C13	N1	C2	H8	148.8°	150.0°
O	C6	C5	O1	177.4°	180.0°
O	C6	C5	C4	148.3°	0.0°
O	C6	C5	H13	27.6°	120.0°
O	C6	C5	H14	91.0°	120.0°
O	C6	O1	H15	0.0°	0.0°
N1	C3	C4	C5	175.4°	180.0°
C3	N1	C2	C1	88.4°	90.0°
C3	N1	C2	H7	151.3°	150.0°
C3	N1	C2	H8	32.0°	30.0°
N1	C3	C4	H11	54.7°	60.0°
N1	C3	C4	H12	63.8°	60.0°
C4	C3	N1	C2	0.6°	1.3°
C3	C4	C5	C6	63.8°	180.0°
C3	C4	C5	H11	120.8°	120.0°
C3	C4	C5	H12	120.7°	120.0°
C3	C4	H11	H12	117.7°	120.1°
C3	C4	C5	H13	56.9°	60.0°
C3	C4	C5	H14	175.5°	60.0°
N1	C2	C1	H7	120.4°	119.9°
N1	C2	C1	H8	120.3°	120.1°
N1	C2	C1	O3	4.8°	0.0°
N1	C2	C1	N	172.7°	179.9°
N1	C2	H7	H8	119.0°	120.0°
C6	C5	C4	H13	120.7°	120.0°
C6	C5	C4	H14	120.7°	120.0°
C6	C5	C4	H11	57.0°	60.0°
C6	C5	C4	H12	175.5°	60.0°
C6	C5	H13	H14	117.9°	120.1°
C5	C6	O1	H15	177.1°	180.0°
C4	C5	C6	O1	34.4°	180.0°
C5	C4	H11	H12	117.7°	120.0°
C4	C5	H13	H14	117.8°	120.0°
O1	C6	C5	H13	155.1°	60.0°
O1	C6	C5	H14	86.3°	60.0°
C2	C1	O3	N	177.3°	180.0°
C2	C1	N	C	174.2°	180.0°
C2	C1	N	H3	5.8°	0.0°
C1	C2	H7	H8	119.0°	120.0°
O3	C1	N	C	8.4°	0.0°
O3	C1	N	H3	171.6°	180.0°
O3	C1	C2	H7	115.6°	120.0°
O3	C1	C2	H8	125.1°	120.0°
C1	N	C	H3	180.0°	180.0°
C1	N	C	H4	180.0°	180.0°
C1	N	C	H5	60.0°	60.0°
C1	N	C	H6	60.0°	60.0°
N	C1	C2	H7	67.0°	60.0°
N	C1	C2	H8	52.4°	60.0°
N	C	H4	H5	120.0°	120.0°
N	C	H4	H6	120.0°	120.1°
N	C	H5	H6	120.0°	120.0°
H1	C10	C11	H2	0.9°	0.0°
H1	C10	C9	H9	1.4°	0.2°
H3	N	C	H4	0.0°	0.0°
H3	N	C	H5	120.0°	120.0°
H3	N	C	H6	120.0°	120.0°
H4	C	H5	H6	120.0°	119.9°
H9	C9	C8	H10	1.3°	0.0°
H11	C4	C5	H13	177.7°	180.0°
H11	C4	C5	H14	63.7°	60.0°
H12	C4	C5	H13	63.8°	60.0°
H12	C4	C5	H14	54.8°	180.0°

Release date:	2023-05-03
Definition date:	2023-04-03
Last modified:	2023-04-28
Release status:	REL
Processing site:	RCSB
Derived from:	8G43