D6A

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C8	C9	sing	1.55Å	1.52Å
C8	N2	sing	1.49Å	1.50Å
C8	C7	sing	1.51Å	1.51Å
C9	C10	sing	1.55Å	1.52Å
N2	C11	sing	1.48Å	1.51Å
C7	O	sing	1.34Å	1.35Å	Aromatic
C7	N	doub	1.31Å	1.28Å	Aromatic
O	N1	sing	1.21Å	1.42Å	Aromatic
N	C6	sing	1.35Å	1.38Å	Aromatic
C11	C10	sing	1.54Å	1.52Å
C10	O1	sing	1.43Å	1.43Å
N1	C6	doub	1.31Å	1.31Å	Aromatic
C6	C5	sing	1.48Å	1.47Å
F2	C12	sing	1.40Å	1.31Å
C5	C4	doub	1.39Å	1.39Å	Aromatic
C5	C	sing	1.39Å	1.39Å	Aromatic
C4	C3	sing	1.38Å	1.38Å	Aromatic
C	C1	doub	1.38Å	1.38Å	Aromatic
C1	C2	sing	1.38Å	1.39Å	Aromatic
C3	C2	doub	1.38Å	1.38Å	Aromatic
C2	C12	sing	1.51Å	1.49Å
C12	F	sing	1.40Å	1.32Å
C12	F1	sing	1.40Å	1.32Å
C4	H1	sing	1.08Å	1.08Å
C8	H2	sing	1.09Å	1.10Å
N2	H3	sing	1.01Å	1.00Å
C9	H5	sing	1.09Å	1.10Å
C9	H6	sing	1.09Å	1.10Å
C10	H7	sing	1.09Å	1.10Å
C11	H8	sing	1.09Å	1.10Å
C11	H9	sing	1.09Å	1.10Å
C1	H10	sing	1.08Å	1.08Å
C3	H11	sing	1.08Å	1.08Å
C	H12	sing	1.08Å	1.08Å
O1	H13	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C9	C8	N2	105.2°	103.2°
C9	C8	C7	116.2°	110.7°
C8	C9	C10	107.3°	102.9°
C9	C8	H2	107.9°	110.6°
C8	C9	H5	110.0°	110.7°
C8	C9	H6	110.0°	110.7°
N2	C8	C7	111.0°	110.7°
C8	N2	C11	108.9°	105.8°
N2	C8	H2	108.1°	110.7°
C8	N2	H3	109.6°	111.0°
C8	C7	O	116.7°	126.4°
C8	C7	N	128.6°	126.5°
C7	C8	H2	108.1°	110.7°
C9	C10	C11	105.1°	105.2°
C9	C10	O1	108.9°	110.3°
C10	C9	H5	110.0°	110.8°
C10	C9	H6	110.0°	110.8°
C9	C10	H7	111.9°	110.3°
N2	C11	C10	107.4°	107.0°
C11	N2	H3	109.6°	111.0°
N2	C11	H8	110.0°	109.9°
N2	C11	H9	110.0°	109.9°
O	C7	N	113.8°	107.1°
C7	O	N1	105.6°	110.0°
C7	N	C6	103.0°	105.6°
O	N1	C6	103.2°	110.1°
N	C6	N1	114.3°	107.1°
N	C6	C5	123.6°	126.4°
C11	C10	O1	105.1°	110.3°
C11	C10	H7	111.9°	110.4°
C10	C11	H8	110.0°	109.9°
C10	C11	H9	110.0°	110.0°
O1	C10	H7	113.4°	110.2°
C10	O1	H13	109.5°	114.0°
N1	C6	C5	122.1°	126.4°
C6	C5	C4	120.3°	120.2°
C6	C5	C	121.1°	120.1°
F2	C12	C2	112.2°	109.5°
F2	C12	F	106.2°	109.5°
F2	C12	F1	105.4°	109.5°
C4	C5	C	118.6°	119.7°
C5	C4	C3	120.4°	119.9°
C5	C4	H1	119.8°	120.0°
C5	C	C1	120.8°	119.9°
C5	C	H12	119.6°	120.1°
C4	C3	C2	121.0°	120.1°
C3	C4	H1	119.8°	120.1°
C4	C3	H11	119.5°	119.9°
C	C1	C2	120.7°	120.1°
C	C1	H10	119.7°	120.0°
C1	C	H12	119.6°	120.0°
C1	C2	C3	118.5°	120.2°
C1	C2	C12	120.8°	119.9°
C2	C1	H10	119.7°	119.9°
C3	C2	C12	120.6°	119.9°
C2	C3	H11	119.5°	120.0°
C2	C12	F	113.0°	109.5°
C2	C12	F1	112.6°	109.4°
F	C12	F1	106.8°	109.5°
H5	C9	H6	109.5°	110.8°
H8	C11	H9	109.5°	110.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C9	C8	N2	C7	126.5°	118.5°
C9	C8	N2	H2	115.1°	118.4°
C9	C8	C7	H2	121.4°	123.1°
C8	C9	C10	H5	119.7°	118.4°
C8	C9	C10	H6	119.6°	118.3°
C9	C8	N2	C11	11.5°	39.2°
C9	C8	C7	O	160.4°	74.9°
C9	C8	C7	N	31.0°	105.3°
C8	C9	C10	C11	25.0°	21.9°
C8	C9	C10	O1	87.1°	140.9°
C9	C8	N2	H3	131.5°	81.3°
C8	C9	H5	H6	121.0°	123.2°
C8	C9	C10	H7	146.7°	97.1°
N2	C8	C7	H2	118.5°	123.1°
N2	C8	C9	C10	22.7°	37.4°
C8	N2	C11	H3	119.9°	120.5°
N2	C8	C7	O	40.3°	38.9°
N2	C8	C7	N	151.1°	140.8°
C8	N2	C11	C10	3.8°	25.3°
N2	C8	C9	H5	97.0°	155.8°
N2	C8	C9	H6	142.3°	81.0°
C8	N2	C11	H8	123.5°	144.7°
C8	N2	C11	H9	115.9°	94.1°
C7	C8	C9	C10	100.5°	155.9°
C7	C8	N2	C11	115.0°	157.7°
C8	C7	O	N	170.3°	179.8°
C8	C7	O	N1	167.2°	180.0°
C8	C7	N	C6	165.0°	179.8°
C7	C8	N2	H3	5.0°	37.2°
C7	C8	C9	H5	139.8°	85.8°
C7	C8	C9	H6	19.1°	37.5°
C9	C10	C11	N2	17.7°	1.2°
C9	C10	C11	O1	114.8°	118.9°
C9	C10	C11	H7	121.7°	119.0°
C9	C10	O1	H7	125.3°	122.1°
C10	C9	C8	H2	137.9°	81.0°
C10	C9	H5	H6	121.0°	123.3°
C9	C10	C11	H8	137.3°	120.5°
C9	C10	C11	H9	102.0°	118.1°
C9	C10	O1	H13	180.0°	180.0°
N2	C11	C10	H8	119.7°	119.3°
N2	C11	C10	H9	119.7°	119.4°
N2	C11	C10	O1	97.1°	117.7°
C11	N2	C8	H2	126.6°	79.2°
N2	C11	C10	H7	139.4°	120.2°
N2	C11	H8	H9	120.9°	121.2°
O	C7	N	C6	3.9°	0.4°
C7	O	N1	C6	0.7°	0.1°
O	C7	C8	H2	78.2°	162.0°
N	C7	O	N1	3.1°	0.2°
C7	N	C6	N1	3.5°	0.4°
C7	N	C6	C5	176.0°	179.9°
N	C7	C8	H2	90.4°	17.7°
O	N1	C6	N	1.7°	0.3°
O	N1	C6	C5	177.8°	180.0°
N	C6	N1	C5	179.5°	179.7°
N	C6	C5	C4	7.1°	179.7°
N	C6	C5	C	173.5°	0.4°
C11	C10	O1	H7	122.6°	122.1°
C10	C11	N2	H3	116.1°	95.2°
C11	C10	C9	H5	94.6°	140.3°
C11	C10	C9	H6	144.7°	96.4°
C10	C11	H8	H9	121.0°	121.3°
C11	C10	O1	H13	67.9°	64.2°
O1	C10	C9	H5	153.3°	100.7°
O1	C10	C9	H6	32.5°	22.6°
O1	C10	C11	H8	22.5°	1.6°
O1	C10	C11	H9	143.2°	122.9°
N1	C6	C5	C4	173.5°	0.1°
N1	C6	C5	C	5.9°	180.0°
C6	C5	C4	C	179.4°	179.9°
C6	C5	C4	C3	179.1°	180.0°
C6	C5	C	C1	177.5°	180.0°
C6	C5	C4	H1	1.0°	0.3°
C6	C5	C	H12	2.5°	0.1°
F2	C12	C2	C1	121.0°	150.0°
F2	C12	C2	C3	57.8°	30.6°
F2	C12	C2	F	120.0°	120.1°
F2	C12	C2	F1	118.8°	120.0°
F2	C12	F	F1	112.1°	120.0°
C5	C4	C3	H1	180.0°	179.7°
C4	C5	C	C1	3.1°	0.1°
C5	C4	C3	C2	0.9°	0.3°
C5	C4	C3	H11	179.1°	179.7°
C4	C5	C	H12	176.9°	180.0°
C	C5	C4	C3	1.5°	0.1°
C5	C	C1	H12	180.0°	179.9°
C5	C	C1	C2	2.3°	0.3°
C	C5	C4	H1	178.5°	179.8°
C5	C	C1	H10	177.7°	179.7°
C4	C3	C2	C1	1.7°	0.6°
C4	C3	C2	H11	180.0°	180.0°
C4	C3	C2	C12	177.1°	180.0°
C	C1	C2	H10	180.0°	179.9°
C	C1	C2	C3	0.2°	0.6°
C	C1	C2	C12	178.7°	180.0°
C1	C2	C3	C12	178.8°	179.5°
C1	C2	C12	F	1.0°	89.9°
C1	C2	C12	F1	120.2°	30.0°
C1	C2	C3	H11	178.3°	179.5°
C2	C1	C	H12	177.7°	179.8°
C3	C2	C12	F	177.9°	89.5°
C3	C2	C12	F1	61.0°	150.5°
C2	C3	C4	H1	179.1°	180.0°
C3	C2	C1	H10	179.9°	179.5°
C2	C12	F	F1	124.4°	120.0°
C12	C2	C1	H10	1.3°	0.0°
C12	C2	C3	H11	2.9°	0.0°
H1	C4	C3	H11	0.9°	0.0°
H2	C8	N2	H3	113.5°	160.3°
H2	C8	C9	H5	18.3°	37.4°
H2	C8	C9	H6	102.4°	160.6°
H3	N2	C11	H8	3.6°	24.2°
H3	N2	C11	H9	124.2°	145.4°
H5	C9	C10	H7	27.1°	21.3°
H6	C9	C10	H7	93.6°	144.6°
H7	C10	C11	H8	101.0°	120.5°
H7	C10	C11	H9	19.7°	0.9°
H7	C10	O1	H13	54.7°	57.9°
H10	C1	C	H12	2.3°	0.2°

Release date:	2020-04-22
Definition date:	2017-10-20
Last modified:	2020-04-17
Release status:	REL
Processing site:	RCSB
Derived from:	5QB7