YQ7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL1	C3	sing	1.74Å	1.76Å
C4	C3	doub	1.38Å	1.37Å	Aromatic
C4	C5	sing	1.39Å	1.36Å	Aromatic
N1	C5	sing	1.39Å	1.41Å
N1	C7	sing	1.34Å	1.37Å
O1	C7	doub	1.22Å	1.39Å
C3	C2	sing	1.40Å	1.39Å	Aromatic
C5	C6	doub	1.41Å	1.41Å	Aromatic
C7	N2	sing	1.34Å	1.42Å
C2	C11	sing	1.48Å	1.53Å
C2	C1	doub	1.39Å	1.39Å	Aromatic
C6	C1	sing	1.39Å	1.40Å	Aromatic
C6	C8	sing	1.47Å	1.44Å
N2	C8	sing	1.37Å	1.35Å	Aromatic
N2	N3	sing	1.40Å	1.29Å	Aromatic
C11	C15	doub	1.40Å	1.29Å	Aromatic
C11	C12	sing	1.40Å	1.50Å	Aromatic
C16	C12	sing	1.51Å	1.53Å
C8	N4	doub	1.31Å	1.36Å	Aromatic
C15	C14	sing	1.38Å	1.53Å	Aromatic
N3	C9	doub	1.31Å	1.37Å	Aromatic
C12	C13	doub	1.38Å	1.32Å	Aromatic
C14	N5	doub	1.32Å	1.29Å	Aromatic
C13	N5	sing	1.32Å	1.48Å	Aromatic
N4	C9	sing	1.33Å	1.45Å	Aromatic
C9	C10	sing	1.51Å	1.53Å
N1	H1	sing	0.97Å	1.00Å
C4	H2	sing	1.08Å	1.08Å
C10	H3	sing	1.09Å	1.10Å
C10	H4	sing	1.09Å	1.10Å
C10	H5	sing	1.09Å	1.10Å
C13	H6	sing	1.08Å	1.08Å
C15	H7	sing	1.08Å	1.08Å
C1	H8	sing	1.08Å	1.08Å
C14	H9	sing	1.08Å	1.08Å
C16	H10	sing	1.09Å	1.10Å
C16	H11	sing	1.09Å	1.10Å
C16	H12	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL1	C3	C4	116.9°	119.8°
CL1	C3	C2	119.1°	119.8°
C3	C4	C5	120.2°	120.0°
C4	C3	C2	124.1°	120.4°
C3	C4	H2	119.9°	120.0°
C4	C5	N1	119.6°	121.3°
C4	C5	C6	118.1°	119.8°
C5	C4	H2	119.9°	120.0°
C5	N1	C7	118.9°	121.0°
N1	C5	C6	122.3°	118.9°
C5	N1	H1	120.6°	119.5°
N1	C7	O1	120.2°	118.7°
N1	C7	N2	119.7°	122.7°
C7	N1	H1	120.5°	119.5°
O1	C7	N2	120.1°	118.6°
C3	C2	C11	124.2°	119.9°
C3	C2	C1	116.1°	120.1°
C5	C6	C1	121.0°	120.2°
C5	C6	C8	116.0°	118.0°
C7	N2	C8	120.8°	120.9°
C7	N2	N3	121.9°	133.1°
C11	C2	C1	119.8°	119.9°
C2	C11	C15	121.4°	120.9°
C2	C11	C12	118.9°	120.9°
C2	C1	C6	120.5°	119.5°
C2	C1	H8	119.7°	120.2°
C1	C6	C8	122.9°	121.8°
C6	C1	H8	119.8°	120.3°
C6	C8	N2	121.5°	118.4°
C6	C8	N4	132.5°	133.8°
C8	N2	N3	117.3°	105.9°
N2	C8	N4	105.9°	107.8°
N2	N3	C9	102.4°	107.1°
C15	C11	C12	119.6°	118.2°
C11	C15	C14	119.5°	119.0°
C11	C15	H7	120.2°	120.5°
C11	C12	C16	121.1°	120.5°
C11	C12	C13	120.6°	119.0°
C16	C12	C13	118.3°	120.5°
C12	C16	H10	109.5°	109.5°
C12	C16	H11	109.5°	109.5°
C12	C16	H12	109.5°	109.5°
C8	N4	C9	103.5°	109.7°
C15	C14	N5	120.1°	120.9°
C14	C15	H7	120.2°	120.5°
C15	C14	H9	120.0°	119.6°
N3	C9	N4	111.0°	109.5°
N3	C9	C10	125.0°	125.2°
C12	C13	N5	119.2°	120.9°
C12	C13	H6	120.4°	119.6°
C14	N5	C13	120.9°	122.0°
N5	C14	H9	119.9°	119.6°
N5	C13	H6	120.4°	119.5°
N4	C9	C10	124.0°	125.2°
C9	C10	H3	109.5°	109.5°
C9	C10	H4	109.5°	109.5°
C9	C10	H5	109.5°	109.5°
H3	C10	H4	109.5°	109.4°
H3	C10	H5	109.5°	109.4°
H4	C10	H5	109.5°	109.5°
H10	C16	H11	109.5°	109.4°
H10	C16	H12	109.5°	109.5°
H11	C16	H12	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL1	C3	C4	C2	179.5°	179.9°
CL1	C3	C4	C5	179.3°	180.0°
CL1	C3	C2	C11	1.1°	0.0°
CL1	C3	C2	C1	179.4°	180.0°
CL1	C3	C4	H2	0.6°	0.1°
C3	C4	C5	H2	180.0°	180.0°
C3	C4	C5	N1	179.4°	179.9°
C3	C4	C5	C6	0.8°	0.0°
C4	C3	C2	C11	178.4°	179.9°
C4	C3	C2	C1	0.1°	0.1°
C4	C5	N1	C6	179.8°	179.9°
C4	C5	N1	C7	171.4°	180.0°
C5	C4	C3	C2	0.2°	0.1°
C4	C5	C6	C1	1.4°	0.1°
C4	C5	C6	C8	178.9°	180.0°
C4	C5	N1	H1	8.5°	0.1°
C5	N1	C7	H1	180.0°	179.8°
C5	N1	C7	O1	170.7°	180.0°
C5	N1	C7	N2	10.4°	0.1°
N1	C5	C6	C1	178.8°	179.9°
N1	C5	C6	C8	1.3°	0.1°
N1	C5	C4	H2	0.6°	0.1°
N1	C7	O1	N2	178.9°	180.0°
C7	N1	C5	C6	8.8°	0.1°
N1	C7	N2	C8	4.9°	0.0°
N1	C7	N2	N3	174.0°	180.0°
O1	C7	N2	C8	176.2°	180.0°
O1	C7	N2	N3	4.9°	0.0°
O1	C7	N1	H1	9.3°	0.2°
C3	C2	C11	C1	178.2°	180.0°
C3	C2	C1	C6	0.8°	0.0°
C3	C2	C11	C15	113.0°	115.0°
C3	C2	C11	C12	69.6°	64.8°
C2	C3	C4	H2	179.8°	180.0°
C3	C2	C1	H8	179.2°	180.0°
C5	C6	C1	C2	1.4°	0.0°
C5	C6	C1	C8	177.3°	180.0°
C5	C6	C8	N2	4.5°	0.0°
C5	C6	C8	N4	179.0°	179.9°
C6	C5	N1	H1	171.3°	179.7°
C6	C5	C4	H2	179.2°	180.0°
C5	C6	C1	H8	178.6°	180.0°
C7	N2	C8	C6	2.8°	0.0°
C7	N2	C8	N3	178.9°	180.0°
C7	N2	C8	N4	179.8°	180.0°
C7	N2	N3	C9	179.5°	180.0°
N2	C7	N1	H1	169.6°	179.8°
C11	C2	C1	C6	179.1°	180.0°
C2	C11	C15	C12	177.4°	179.8°
C2	C11	C12	C16	1.4°	0.3°
C2	C11	C15	C14	179.3°	180.0°
C2	C11	C12	C13	179.4°	179.8°
C2	C11	C15	H7	0.7°	0.5°
C11	C2	C1	H8	0.9°	0.0°
C2	C1	C6	H8	180.0°	180.0°
C2	C1	C6	C8	178.7°	180.0°
C1	C2	C11	C15	68.8°	65.0°
C1	C2	C11	C12	108.6°	115.2°
C1	C6	C8	N2	172.9°	180.0°
C1	C6	C8	N4	3.6°	0.0°
C6	C8	N2	N4	177.4°	180.0°
C6	C8	N2	N3	178.2°	180.0°
C6	C8	N4	C9	177.6°	180.0°
C8	C6	C1	H8	1.3°	0.0°
C8	N2	N3	C9	0.6°	0.0°
N2	C8	N4	C9	0.7°	0.0°
N3	N2	C8	N4	0.9°	0.0°
N2	N3	C9	N4	0.1°	0.0°
N2	N3	C9	C10	179.6°	180.0°
C15	C11	C12	C16	178.8°	180.0°
C11	C15	C14	H7	180.0°	179.5°
C15	C11	C12	C13	2.0°	0.0°
C11	C15	C14	N5	1.1°	0.5°
C11	C15	C14	H9	178.9°	180.0°
C11	C12	C16	C13	179.2°	180.0°
C12	C11	C15	C14	1.9°	0.2°
C11	C12	C13	N5	1.0°	0.0°
C11	C12	C13	H6	179.0°	179.7°
C12	C11	C15	H7	178.0°	179.7°
C11	C12	C16	H10	89.6°	90.0°
C11	C12	C16	H11	150.4°	150.0°
C11	C12	C16	H12	30.4°	30.0°
C16	C12	C13	N5	179.7°	180.0°
C16	C12	C13	H6	0.3°	0.3°
C12	C16	H10	H11	120.0°	120.0°
C12	C16	H10	H12	120.0°	120.0°
C12	C16	H11	H12	120.0°	120.0°
C8	N4	C9	N3	0.4°	0.0°
C8	N4	C9	C10	179.2°	180.0°
C15	C14	N5	H9	180.0°	179.6°
C15	C14	N5	C13	0.2°	0.5°
N3	C9	N4	C10	179.5°	180.0°
N3	C9	C10	H3	0.0°	90.0°
N3	C9	C10	H4	120.0°	150.1°
N3	C9	C10	H5	120.0°	30.0°
C12	C13	N5	C14	0.2°	0.2°
C12	C13	N5	H6	180.0°	179.7°
C13	C12	C16	H10	89.7°	90.0°
C13	C12	C16	H11	30.4°	30.0°
C13	C12	C16	H12	150.3°	150.0°
C14	N5	C13	H6	179.8°	179.9°
N5	C14	C15	H7	178.8°	179.9°
C13	N5	C14	H9	179.8°	180.0°
N4	C9	C10	H3	179.5°	90.0°
N4	C9	C10	H4	60.5°	29.9°
N4	C9	C10	H5	59.5°	150.0°
C9	C10	H3	H4	120.0°	120.0°
C9	C10	H3	H5	120.0°	120.0°
C9	C10	H4	H5	120.0°	120.1°
H3	C10	H4	H5	120.0°	119.9°
H7	C15	C14	H9	1.1°	0.5°
H10	C16	H11	H12	120.0°	120.0°

Release date:	2021-10-13
Definition date:	2021-03-22
Last modified:	2021-10-08
Release status:	REL
Processing site:	RCSB
Derived from:	7M3Y