QGX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C6	C7	doub	1.36Å	1.37Å	Aromatic
C6	C5	sing	1.40Å	1.42Å	Aromatic
C4	N2	doub	1.31Å	1.32Å	Aromatic
C4	C5	sing	1.40Å	1.41Å	Aromatic
C7	C8	sing	1.39Å	1.39Å	Aromatic
N2	C3	sing	1.32Å	1.34Å	Aromatic
C5	C10	doub	1.42Å	1.43Å	Aromatic
C8	C9	doub	1.36Å	1.37Å	Aromatic
C3	C2	doub	1.38Å	1.39Å	Aromatic
C10	C9	sing	1.40Å	1.42Å	Aromatic
C10	C2	sing	1.41Å	1.43Å	Aromatic
C2	N1	sing	1.40Å	1.40Å
N1	C1	sing	1.35Å	1.35Å
N	C	sing	1.47Å	1.47Å
C1	C	sing	1.51Å	1.54Å
C1	O	doub	1.21Å	1.23Å
C	C11	sing	1.51Å	1.52Å
C11	C16	doub	1.38Å	1.39Å	Aromatic
C11	C12	sing	1.38Å	1.39Å	Aromatic
C16	C15	sing	1.38Å	1.38Å	Aromatic
C12	C13	doub	1.38Å	1.38Å	Aromatic
C15	CL1	sing	1.74Å	1.73Å
C15	C14	doub	1.38Å	1.39Å	Aromatic
C13	C14	sing	1.38Å	1.38Å	Aromatic
C14	CL	sing	1.74Å	1.73Å
N1	H1	sing	0.97Å	1.00Å
C4	H2	sing	1.08Å	1.08Å
C6	H3	sing	1.08Å	1.08Å
C7	H4	sing	1.08Å	1.08Å
C8	H5	sing	1.08Å	1.08Å
C13	H6	sing	1.08Å	1.08Å
C12	H7	sing	1.08Å	1.08Å
C16	H8	sing	1.08Å	1.08Å
C	H9	sing	1.09Å	1.10Å
N	H10	sing	1.01Å	1.00Å
N	H11	sing	1.01Å	1.00Å
C9	H13	sing	1.08Å	1.08Å
C3	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C7	C6	C5	120.6°	119.5°
C6	C7	C8	120.6°	121.0°
C7	C6	H3	119.7°	120.2°
C6	C7	H4	119.7°	119.5°
C6	C5	C4	123.1°	122.0°
C6	C5	C10	119.2°	119.3°
C5	C6	H3	119.7°	120.3°
N2	C4	C5	124.3°	120.2°
C4	N2	C3	117.5°	122.9°
N2	C4	H2	117.8°	119.9°
C4	C5	C10	117.6°	118.7°
C5	C4	H2	117.8°	119.9°
C7	C8	C9	120.7°	121.0°
C8	C7	H4	119.7°	119.5°
C7	C8	H5	119.6°	119.5°
N2	C3	C2	125.3°	121.5°
N2	C3	H14	117.4°	119.3°
C5	C10	C9	117.9°	119.6°
C5	C10	C2	117.9°	118.2°
C8	C9	C10	121.0°	119.5°
C9	C8	H5	119.6°	119.5°
C8	C9	H13	119.5°	120.2°
C3	C2	C10	117.2°	118.5°
C3	C2	N1	119.1°	120.8°
C2	C3	H14	117.3°	119.2°
C9	C10	C2	124.0°	122.2°
C10	C9	H13	119.5°	120.3°
C10	C2	N1	121.1°	120.8°
C2	N1	C1	130.3°	120.0°
C2	N1	H1	114.8°	120.0°
N1	C1	C	114.2°	120.0°
N1	C1	O	124.1°	120.0°
C1	N1	H1	114.9°	120.0°
N	C	C1	112.0°	109.5°
N	C	C11	113.1°	109.5°
N	C	H9	107.4°	109.5°
C	N	H10	109.5°	110.9°
C	N	H11	109.4°	111.0°
C	C1	O	121.3°	120.0°
C1	C	C11	110.7°	109.5°
C1	C	H9	106.6°	109.5°
C	C11	C16	120.1°	120.0°
C	C11	C12	120.9°	120.0°
C11	C	H9	106.8°	109.5°
C16	C11	C12	118.9°	120.0°
C11	C16	C15	120.3°	120.0°
C11	C16	H8	119.8°	120.0°
C11	C12	C13	120.9°	120.0°
C11	C12	H7	119.6°	119.9°
C16	C15	CL1	119.0°	120.0°
C16	C15	C14	120.1°	119.9°
C15	C16	H8	119.9°	120.0°
C12	C13	C14	119.8°	120.0°
C12	C13	H6	120.1°	120.0°
C13	C12	H7	119.5°	120.0°
CL1	C15	C14	120.8°	120.1°
C15	C14	C13	119.8°	120.0°
C15	C14	CL	121.0°	120.0°
C13	C14	CL	119.0°	120.0°
C14	C13	H6	120.1°	120.0°
H10	N	H11	109.5°	111.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C7	C6	C5	H3	180.0°	179.9°
C7	C6	C5	C4	175.6°	179.9°
C6	C7	C8	H4	180.0°	180.0°
C7	C6	C5	C10	0.9°	0.1°
C6	C7	C8	C9	0.2°	0.0°
C6	C7	C8	H5	179.7°	180.0°
C6	C5	C4	N2	174.8°	180.0°
C6	C5	C4	C10	176.5°	180.0°
C5	C6	C7	C8	0.2°	0.0°
C6	C5	C10	C9	1.0°	0.0°
C6	C5	C10	C2	176.4°	180.0°
C6	C5	C4	H2	5.1°	0.3°
C5	C6	C7	H4	179.8°	180.0°
N2	C4	C5	H2	180.0°	179.7°
N2	C4	C5	C10	1.7°	0.0°
C4	N2	C3	C2	2.6°	0.1°
C4	N2	C3	H14	177.4°	180.0°
C5	C4	N2	C3	0.3°	0.0°
C4	C5	C10	C9	175.6°	180.0°
C4	C5	C10	C2	0.3°	0.0°
C4	C5	C6	H3	4.4°	0.0°
C7	C8	C9	H5	180.0°	180.0°
C7	C8	C9	C10	0.1°	0.0°
C8	C7	C6	H3	179.7°	180.0°
C7	C8	C9	H13	179.9°	180.0°
N2	C3	C2	H14	180.0°	179.9°
N2	C3	C2	C10	3.9°	0.1°
N2	C3	C2	N1	158.1°	180.0°
C3	N2	C4	H2	179.7°	179.7°
C5	C10	C9	C8	0.5°	0.0°
C5	C10	C2	C3	2.2°	0.0°
C5	C10	C9	C2	175.1°	179.9°
C5	C10	C2	N1	159.4°	180.0°
C10	C5	C4	H2	178.3°	179.7°
C10	C5	C6	H3	179.1°	180.0°
C5	C10	C9	H13	179.4°	180.0°
C8	C9	C10	H13	180.0°	180.0°
C8	C9	C10	C2	175.6°	180.0°
C9	C8	C7	H4	179.8°	180.0°
C3	C2	C10	C9	172.8°	180.0°
C3	C2	C10	N1	161.6°	180.0°
C3	C2	N1	C1	130.5°	34.6°
C3	C2	N1	H1	49.5°	145.1°
C9	C10	C2	N1	25.6°	0.0°
C10	C9	C8	H5	179.9°	180.0°
C10	C2	N1	C1	30.8°	145.5°
C10	C2	N1	H1	149.2°	34.9°
C2	C10	C9	H13	4.4°	0.0°
C10	C2	C3	H14	176.1°	180.0°
C2	N1	C1	H1	180.0°	179.7°
C2	N1	C1	C	155.0°	175.9°
C2	N1	C1	O	31.2°	4.1°
N1	C2	C3	H14	21.9°	0.0°
N1	C1	C	N	98.5°	160.0°
N1	C1	C	O	174.1°	180.0°
N1	C1	C	C11	134.4°	80.0°
N1	C1	C	H9	18.6°	40.0°
N	C	C1	C11	127.2°	120.0°
N	C	C1	H9	117.1°	120.0°
N	C	C1	O	87.4°	20.0°
N	C	C11	H9	117.9°	120.0°
N	C	C11	C16	134.7°	140.0°
N	C	C11	C12	48.3°	39.7°
C	N	H10	H11	120.0°	123.9°
C1	C	C11	H9	115.6°	120.0°
C1	C	C11	C16	98.7°	100.0°
C1	C	C11	C12	78.3°	80.3°
C	C1	N1	H1	25.0°	4.5°
C1	C	N	H10	180.0°	60.0°
C1	C	N	H11	60.0°	63.9°
O	C1	C	C11	39.7°	100.0°
O	C1	N1	H1	148.8°	175.5°
O	C1	C	H9	155.4°	140.0°
C	C11	C16	C12	177.1°	179.6°
C	C11	C16	C15	175.7°	180.0°
C	C11	C12	C13	175.1°	179.7°
C	C11	C12	H7	4.9°	0.3°
C	C11	C16	H8	4.3°	0.1°
C11	C	N	H10	54.1°	60.0°
C11	C	N	H11	65.9°	176.1°
C11	C16	C15	H8	180.0°	180.0°
C16	C11	C12	C13	1.9°	0.0°
C11	C16	C15	CL1	178.9°	180.0°
C11	C16	C15	C14	0.7°	0.6°
C16	C11	C12	H7	178.1°	180.0°
C16	C11	C	H9	16.9°	20.0°
C12	C11	C16	C15	1.4°	0.3°
C11	C12	C13	H7	180.0°	180.0°
C11	C12	C13	C14	0.5°	0.0°
C11	C12	C13	H6	179.5°	179.8°
C12	C11	C16	H8	178.6°	179.7°
C12	C11	C	H9	166.1°	159.7°
C16	C15	CL1	C14	179.6°	179.4°
C16	C15	C14	C13	2.2°	0.6°
C16	C15	C14	CL	174.4°	179.5°
C12	C13	C14	C15	1.6°	0.3°
C12	C13	C14	H6	180.0°	179.8°
C12	C13	C14	CL	175.1°	179.8°
CL1	C15	C14	C13	177.4°	180.0°
CL1	C15	C14	CL	6.0°	0.1°
CL1	C15	C16	H8	1.1°	0.0°
C15	C14	C13	CL	176.7°	179.9°
C15	C14	C13	H6	178.4°	180.0°
C14	C15	C16	H8	179.3°	179.4°
C14	C13	C12	H7	179.5°	180.0°
CL	C14	C13	H6	4.9°	0.0°
H3	C6	C7	H4	0.3°	0.1°
H4	C7	C8	H5	0.3°	0.0°
H5	C8	C9	H13	0.1°	0.0°
H6	C13	C12	H7	0.5°	0.2°
H9	C	N	H10	63.4°	180.0°
H9	C	N	H11	176.6°	56.1°

Release date:	2023-11-08
Definition date:	2023-08-18
Last modified:	2023-11-03
Release status:	REL
Processing site:	RCSB
Derived from:	7GIK