M6U

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C4	doub	1.32Å	1.34Å	Aromatic
N	C5	sing	1.32Å	1.34Å	Aromatic
C4	C3	sing	1.38Å	1.38Å	Aromatic
C5	C6	doub	1.39Å	1.39Å	Aromatic
C3	C2	doub	1.39Å	1.39Å	Aromatic
C6	C2	sing	1.39Å	1.40Å	Aromatic
C6	N1	sing	1.40Å	1.41Å
C2	C1	sing	1.51Å	1.51Å
N1	C7	sing	1.35Å	1.35Å
O	C7	doub	1.21Å	1.23Å
C7	C8	sing	1.51Å	1.51Å
F1	C14	sing	1.40Å	1.34Å
C1	C	sing	1.53Å	1.51Å
C8	C9	sing	1.51Å	1.51Å
F2	C14	sing	1.40Å	1.32Å
C14	C13	sing	1.51Å	1.51Å
C14	F	sing	1.40Å	1.33Å
N2	C9	doub	1.32Å	1.34Å	Aromatic
N2	C13	sing	1.32Å	1.34Å	Aromatic
C9	C10	sing	1.38Å	1.39Å	Aromatic
C13	C12	doub	1.38Å	1.39Å	Aromatic
C10	C11	doub	1.39Å	1.39Å	Aromatic
C12	C11	sing	1.39Å	1.38Å	Aromatic
N1	H1	sing	0.97Å	1.00Å
C4	H2	sing	1.08Å	1.08Å
C5	H3	sing	1.08Å	1.08Å
C8	H4	sing	1.09Å	1.10Å
C8	H5	sing	1.09Å	1.10Å
C10	H6	sing	1.08Å	1.08Å
C12	H7	sing	1.08Å	1.08Å
C11	H8	sing	1.08Å	1.08Å
C1	H9	sing	1.09Å	1.10Å
C1	H10	sing	1.09Å	1.10Å
C	H11	sing	1.09Å	1.10Å
C	H12	sing	1.09Å	1.10Å
C	H13	sing	1.09Å	1.10Å
C3	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C4	N	C5	117.5°	121.9°
N	C4	C3	123.7°	120.9°
N	C4	H2	118.2°	119.6°
N	C5	C6	123.3°	120.6°
N	C5	H3	118.4°	119.7°
C4	C3	C2	119.1°	119.2°
C3	C4	H2	118.2°	119.5°
C4	C3	H14	120.4°	120.3°
C5	C6	C2	118.6°	119.1°
C5	C6	N1	121.6°	120.5°
C6	C5	H3	118.3°	119.7°
C3	C2	C6	117.8°	118.4°
C3	C2	C1	120.0°	120.8°
C2	C3	H14	120.5°	120.5°
C2	C6	N1	119.8°	120.4°
C6	C2	C1	122.1°	120.9°
C6	N1	C7	125.6°	120.0°
C6	N1	H1	117.2°	120.0°
C2	C1	C	114.0°	109.5°
C2	C1	H9	108.3°	109.5°
C2	C1	H10	108.3°	109.4°
N1	C7	O	123.7°	120.0°
N1	C7	C8	114.5°	120.0°
C7	N1	H1	117.2°	120.0°
O	C7	C8	121.7°	120.0°
C7	C8	C9	110.7°	109.5°
C7	C8	H4	109.2°	109.5°
C7	C8	H5	109.2°	109.5°
F1	C14	F2	104.9°	109.5°
F1	C14	C13	112.6°	109.5°
F1	C14	F	107.0°	109.5°
C	C1	H9	108.3°	109.5°
C	C1	H10	108.3°	109.5°
C1	C	H11	109.5°	109.5°
C1	C	H12	109.5°	109.5°
C1	C	H13	109.5°	109.5°
C8	C9	N2	115.5°	119.6°
C8	C9	C10	121.9°	119.7°
C9	C8	H4	109.2°	109.4°
C9	C8	H5	109.1°	109.5°
F2	C14	C13	111.6°	109.5°
F2	C14	F	108.4°	109.4°
C13	C14	F	111.9°	109.5°
C14	C13	N2	115.0°	119.6°
C14	C13	C12	121.8°	119.6°
C9	N2	C13	118.0°	121.7°
N2	C9	C10	122.5°	120.7°
N2	C13	C12	123.3°	120.7°
C9	C10	C11	118.6°	119.2°
C9	C10	H6	120.7°	120.4°
C13	C12	C11	118.2°	119.2°
C13	C12	H7	120.9°	120.4°
C10	C11	C12	119.5°	118.4°
C11	C10	H6	120.7°	120.4°
C10	C11	H8	120.2°	120.8°
C11	C12	H7	120.9°	120.4°
C12	C11	H8	120.3°	120.8°
H4	C8	H5	109.5°	109.4°
H9	C1	H10	109.5°	109.5°
H11	C	H12	109.5°	109.5°
H11	C	H13	109.5°	109.4°
H12	C	H13	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C4	C3	H2	180.0°	179.8°
C4	N	C5	C6	0.5°	0.0°
N	C4	C3	C2	0.2°	0.3°
C4	N	C5	H3	179.6°	179.7°
N	C4	C3	H14	179.8°	179.8°
C5	N	C4	C3	1.0°	0.0°
N	C5	C6	H3	180.0°	179.7°
N	C5	C6	C2	0.9°	0.3°
N	C5	C6	N1	179.0°	179.8°
C5	N	C4	H2	179.0°	179.8°
C4	C3	C2	H14	180.0°	180.0°
C4	C3	C2	C6	1.1°	0.5°
C4	C3	C2	C1	175.9°	180.0°
C5	C6	C2	C3	1.6°	0.5°
C5	C6	C2	N1	179.8°	180.0°
C5	C6	C2	C1	175.4°	180.0°
C5	C6	N1	C7	74.1°	24.8°
C5	C6	N1	H1	105.9°	154.9°
C3	C2	C6	C1	177.0°	179.5°
C3	C2	C6	N1	178.2°	179.5°
C3	C2	C1	C	43.1°	94.5°
C2	C3	C4	H2	179.8°	180.0°
C3	C2	C1	H9	77.6°	25.5°
C3	C2	C1	H10	163.8°	145.5°
C2	C6	N1	C7	106.1°	155.2°
C6	C2	C1	C	133.8°	85.0°
C2	C6	N1	H1	73.9°	25.1°
C2	C6	C5	H3	179.1°	180.0°
C6	C2	C1	H9	105.5°	155.0°
C6	C2	C1	H10	13.1°	35.0°
C6	C2	C3	H14	178.9°	179.5°
N1	C6	C2	C1	4.8°	0.0°
C6	N1	C7	H1	180.0°	179.7°
C6	N1	C7	O	1.3°	5.7°
C6	N1	C7	C8	179.5°	174.3°
N1	C6	C5	H3	1.1°	0.0°
C2	C1	C	H9	120.6°	120.1°
C2	C1	C	H10	120.7°	120.0°
C2	C1	H9	H10	118.0°	120.0°
C2	C1	C	H11	180.0°	60.0°
C2	C1	C	H12	60.0°	180.0°
C2	C1	C	H13	60.0°	59.9°
C1	C2	C3	H14	4.1°	0.0°
N1	C7	O	C8	178.1°	180.0°
N1	C7	C8	C9	171.2°	180.0°
N1	C7	C8	H4	51.1°	60.0°
N1	C7	C8	H5	68.6°	60.0°
O	C7	C8	C9	7.0°	0.0°
O	C7	N1	H1	178.7°	174.6°
O	C7	C8	H4	127.2°	120.0°
O	C7	C8	H5	113.1°	120.0°
C7	C8	C9	H4	120.2°	120.0°
C7	C8	C9	H5	120.2°	120.1°
C7	C8	C9	N2	91.9°	55.0°
C7	C8	C9	C10	85.4°	125.0°
C8	C7	N1	H1	0.5°	5.4°
C7	C8	H4	H5	119.5°	120.0°
F1	C14	F2	C13	122.2°	120.0°
F1	C14	F2	F	114.1°	120.0°
F1	C14	C13	F	120.6°	120.0°
F1	C14	C13	N2	24.1°	150.5°
F1	C14	C13	C12	156.1°	30.0°
C	C1	H9	H10	117.9°	120.0°
C1	C	H11	H12	120.0°	120.0°
C1	C	H11	H13	120.0°	120.0°
C1	C	H12	H13	120.0°	120.0°
C8	C9	N2	C10	177.3°	179.9°
C8	C9	N2	C13	176.8°	179.5°
C8	C9	C10	C11	176.8°	180.0°
C9	C8	H4	H5	119.4°	119.9°
C8	C9	C10	H6	3.2°	0.3°
F2	C14	C13	F	121.7°	120.0°
F2	C14	C13	N2	141.8°	89.5°
F2	C14	C13	C12	38.4°	90.0°
C14	C13	N2	C9	180.0°	179.7°
C14	C13	N2	C12	179.8°	179.5°
C14	C13	C12	C11	179.7°	179.9°
C14	C13	C12	H7	0.3°	0.5°
F	C14	C13	N2	96.5°	30.5°
F	C14	C13	C12	83.3°	150.0°
C9	N2	C13	C12	0.2°	0.8°
N2	C9	C10	C11	0.4°	0.1°
N2	C9	C8	H4	147.9°	175.0°
N2	C9	C8	H5	28.3°	65.0°
N2	C9	C10	H6	179.6°	179.7°
C13	N2	C9	C10	0.5°	0.6°
N2	C13	C12	C11	0.1°	0.5°
N2	C13	C12	H7	179.9°	180.0°
C9	C10	C11	H6	180.0°	179.8°
C9	C10	C11	C12	0.0°	0.2°
C10	C9	C8	H4	34.8°	5.0°
C10	C9	C8	H5	154.4°	114.9°
C9	C10	C11	H8	180.0°	179.8°
C13	C12	C11	C10	0.2°	0.0°
C13	C12	C11	H7	180.0°	179.5°
C13	C12	C11	H8	179.8°	180.0°
C10	C11	C12	H8	180.0°	180.0°
C10	C11	C12	H7	179.8°	179.5°
C12	C11	C10	H6	180.0°	179.9°
H2	C4	C3	H14	0.2°	0.0°
H6	C10	C11	H8	0.0°	0.0°
H7	C12	C11	H8	0.2°	0.5°
H9	C1	C	H11	59.3°	60.1°
H9	C1	C	H12	179.3°	60.0°
H9	C1	C	H13	60.6°	180.0°
H10	C1	C	H11	59.3°	180.0°
H10	C1	C	H12	60.7°	60.0°
H10	C1	C	H13	179.3°	60.0°
H11	C	H12	H13	120.0°	120.0°

Release date:	2023-11-08
Definition date:	2023-08-15
Last modified:	2023-11-03
Release status:	REL
Processing site:	RCSB
Derived from:	7GDF