ZU7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N2	C5	sing	1.47Å	1.48Å
N2	C4	sing	1.47Å	1.47Å
O1	C1	doub	1.21Å	1.22Å
C5	C6	sing	1.53Å	1.53Å
C9	C8	doub	1.38Å	1.39Å	Aromatic
C9	C10	sing	1.38Å	1.37Å	Aromatic
C4	C3	sing	1.53Å	1.54Å
C8	C7	sing	1.39Å	1.39Å	Aromatic
N1	C6	sing	1.47Å	1.47Å
N1	C3	sing	1.47Å	1.47Å
N1	C2	sing	1.47Å	1.45Å
C1	C2	sing	1.51Å	1.52Å
C1	N3	sing	1.35Å	1.35Å
F1	C10	sing	1.35Å	1.36Å
C10	C11	doub	1.39Å	1.37Å	Aromatic
C7	N3	sing	1.40Å	1.41Å
C7	C12	doub	1.39Å	1.39Å	Aromatic
C11	C12	sing	1.38Å	1.38Å	Aromatic
N3	H2	sing	0.97Å	1.00Å
C4	H3	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C5	H6	sing	1.09Å	1.10Å
C6	H7	sing	1.09Å	1.10Å
C6	H8	sing	1.09Å	1.10Å
C8	H9	sing	1.08Å	1.08Å
C2	H10	sing	1.09Å	1.10Å
C2	H11	sing	1.09Å	1.10Å
C3	H12	sing	1.09Å	1.10Å
C3	H13	sing	1.09Å	1.10Å
N2	H14	sing	1.01Å	1.00Å
C9	H16	sing	1.08Å	1.08Å
C11	H17	sing	1.08Å	1.08Å
C12	H18	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C5	N2	C4	111.3°	110.9°
N2	C5	C6	111.6°	109.4°
N2	C5	H5	108.9°	109.5°
N2	C5	H6	108.9°	109.5°
C5	N2	H14	109.0°	111.0°
N2	C4	C3	111.2°	109.4°
N2	C4	H3	109.0°	109.5°
N2	C4	H4	109.0°	109.5°
C4	N2	H14	109.0°	111.1°
O1	C1	C2	121.9°	120.0°
O1	C1	N3	124.1°	120.0°
C5	C6	N1	111.4°	109.3°
C6	C5	H5	109.0°	109.5°
C6	C5	H6	108.9°	109.5°
C5	C6	H7	109.0°	109.5°
C5	C6	H8	109.0°	109.5°
C8	C9	C10	118.4°	120.1°
C9	C8	C7	120.2°	120.0°
C9	C8	H9	119.9°	120.0°
C8	C9	H16	120.8°	120.0°
C9	C10	F1	118.6°	120.0°
C9	C10	C11	122.9°	120.1°
C10	C9	H16	120.8°	119.9°
C4	C3	N1	111.8°	109.3°
C3	C4	H3	109.0°	109.5°
C3	C4	H4	109.0°	109.5°
C4	C3	H12	108.9°	109.5°
C4	C3	H13	108.9°	109.5°
C8	C7	N3	123.4°	120.1°
C8	C7	C12	119.5°	119.9°
C7	C8	H9	119.9°	120.0°
C6	N1	C3	110.0°	110.9°
C6	N1	C2	111.6°	111.0°
N1	C6	H7	109.0°	109.5°
N1	C6	H8	109.0°	109.5°
C3	N1	C2	110.8°	111.0°
N1	C3	H12	108.9°	109.4°
N1	C3	H13	108.9°	109.5°
N1	C2	C1	113.8°	109.5°
N1	C2	H10	108.4°	109.4°
N1	C2	H11	108.4°	109.5°
C2	C1	N3	113.9°	120.0°
C1	C2	H10	108.4°	109.5°
C1	C2	H11	108.4°	109.5°
C1	N3	C7	130.1°	120.0°
C1	N3	H2	114.9°	120.0°
F1	C10	C11	118.4°	119.9°
C10	C11	C12	118.5°	120.1°
C10	C11	H17	120.7°	120.0°
N3	C7	C12	117.0°	120.0°
C7	N3	H2	115.0°	119.9°
C7	C12	C11	120.4°	119.9°
C7	C12	H18	119.8°	120.0°
C12	C11	H17	120.8°	120.0°
C11	C12	H18	119.8°	120.0°
H3	C4	H4	109.4°	109.5°
H5	C5	H6	109.4°	109.5°
H7	C6	H8	109.5°	109.6°
H10	C2	H11	109.4°	109.5°
H12	C3	H13	109.5°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C5	N2	C4	H14	120.3°	123.9°
N2	C5	C6	H5	120.3°	120.0°
N2	C5	C6	H6	120.3°	120.0°
C5	N2	C4	C3	54.7°	59.3°
N2	C5	C6	N1	3.4°	58.4°
C5	N2	C4	H3	175.0°	179.3°
C5	N2	C4	H4	65.6°	60.7°
N2	C5	H5	H6	119.0°	120.1°
N2	C5	C6	H7	116.9°	178.3°
N2	C5	C6	H8	123.7°	61.5°
C4	N2	C5	C6	52.8°	59.3°
N2	C4	C3	H3	120.3°	119.9°
N2	C4	C3	H4	120.3°	120.0°
N2	C4	C3	N1	0.3°	58.4°
N2	C4	H3	H4	119.2°	120.0°
C4	N2	C5	H5	67.6°	60.7°
C4	N2	C5	H6	173.1°	179.3°
N2	C4	C3	H12	120.1°	61.5°
N2	C4	C3	H13	120.6°	178.4°
O1	C1	C2	N1	0.0°	0.0°
O1	C1	C2	N3	179.1°	180.0°
O1	C1	N3	C7	3.9°	4.6°
O1	C1	N3	H2	176.1°	175.4°
O1	C1	C2	H10	120.6°	120.0°
O1	C1	C2	H11	120.7°	120.0°
C5	C6	N1	H7	120.3°	119.9°
C5	C6	N1	H8	120.3°	120.0°
C5	C6	N1	C3	57.7°	59.4°
C5	C6	N1	C2	178.9°	176.8°
C6	C5	H5	H6	119.0°	120.0°
C5	C6	H7	H8	119.1°	120.1°
C6	C5	N2	H14	67.5°	176.7°
C8	C9	C10	H16	180.0°	179.9°
C9	C8	C7	H9	180.0°	180.0°
C8	C9	C10	F1	179.9°	180.0°
C8	C9	C10	C11	1.9°	0.4°
C9	C8	C7	N3	178.2°	180.0°
C9	C8	C7	C12	2.6°	0.2°
C10	C9	C8	C7	2.9°	0.1°
C9	C10	F1	C11	178.3°	179.6°
C9	C10	C11	C12	0.5°	0.4°
C10	C9	C8	H9	177.1°	180.0°
C9	C10	C11	H17	179.6°	180.0°
C4	C3	N1	C6	55.7°	59.4°
C4	C3	N1	H12	120.4°	119.9°
C4	C3	N1	H13	120.3°	119.9°
C4	C3	N1	C2	179.5°	176.8°
C3	C4	H3	H4	119.2°	120.1°
C4	C3	H12	H13	118.9°	120.1°
C3	C4	N2	H14	65.6°	176.8°
C8	C7	N3	C1	9.4°	145.2°
C8	C7	N3	C12	175.7°	179.8°
C8	C7	C12	C11	1.1°	0.2°
C8	C7	N3	H2	170.6°	34.8°
C7	C8	C9	H16	177.1°	180.0°
C8	C7	C12	H18	178.9°	179.7°
C6	N1	C3	C2	123.8°	123.9°
C6	N1	C2	C1	77.4°	170.0°
N1	C6	C5	H5	123.7°	61.6°
N1	C6	C5	H6	117.0°	178.4°
N1	C6	H7	H8	119.1°	120.1°
C6	N1	C2	H10	162.0°	70.0°
C6	N1	C2	H11	43.3°	50.0°
C6	N1	C3	H12	176.1°	60.6°
C6	N1	C3	H13	64.6°	179.3°
C3	N1	C2	C1	159.7°	66.2°
N1	C3	C4	H3	120.5°	178.3°
N1	C3	C4	H4	120.0°	61.6°
C3	N1	C6	H7	62.6°	179.3°
C3	N1	C6	H8	178.0°	60.6°
C3	N1	C2	H10	39.0°	53.8°
C3	N1	C2	H11	79.7°	173.8°
N1	C3	H12	H13	118.9°	120.1°
N1	C2	C1	H10	120.7°	119.9°
N1	C2	C1	H11	120.7°	120.0°
N1	C2	C1	N3	179.1°	179.9°
C2	N1	C6	H7	60.7°	56.8°
C2	N1	C6	H8	58.7°	63.3°
N1	C2	H10	H11	118.0°	120.0°
C2	N1	C3	H12	60.1°	63.3°
C2	N1	C3	H13	59.2°	56.8°
C2	C1	N3	C7	177.1°	175.4°
C2	C1	N3	H2	2.9°	4.6°
C1	C2	H10	H11	118.0°	120.1°
C1	N3	C7	H2	180.0°	180.0°
C1	N3	C7	C12	166.4°	35.0°
N3	C1	C2	H10	58.4°	60.0°
N3	C1	C2	H11	60.2°	60.0°
F1	C10	C11	C12	178.7°	180.0°
F1	C10	C9	H16	0.1°	0.1°
F1	C10	C11	H17	1.4°	0.4°
C10	C11	C12	C7	0.0°	0.1°
C10	C11	C12	H17	180.0°	179.6°
C11	C10	C9	H16	178.1°	179.7°
C10	C11	C12	H18	179.9°	180.0°
N3	C7	C12	C11	177.0°	180.0°
N3	C7	C8	H9	1.8°	0.0°
N3	C7	C12	H18	3.0°	0.1°
C7	C12	C11	H18	180.0°	179.9°
C12	C7	N3	H2	13.7°	144.9°
C12	C7	C8	H9	177.5°	179.7°
C7	C12	C11	H17	180.0°	179.7°
H3	C4	C3	H12	0.1°	58.4°
H3	C4	C3	H13	119.2°	61.7°
H3	C4	N2	H14	54.7°	56.8°
H4	C4	C3	H12	119.6°	178.5°
H4	C4	C3	H13	0.3°	58.4°
H4	C4	N2	H14	174.1°	63.2°
H5	C5	C6	H7	3.4°	58.3°
H5	C5	C6	H8	116.0°	178.5°
H5	C5	N2	H14	172.2°	63.3°
H6	C5	C6	H7	122.7°	61.7°
H6	C5	C6	H8	3.3°	58.4°
H6	C5	N2	H14	52.9°	56.8°
H9	C8	C9	H16	2.9°	0.1°
H17	C11	C12	H18	0.0°	0.4°

Release date:	2023-07-26
Definition date:	2023-07-05
Last modified:	2023-07-21
Release status:	REL
Processing site:	RCSB
Derived from:	7G9N