HR5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C9	C10	sing	1.54Å	1.56Å
C9	C8	sing	1.54Å	1.54Å
C10	C7	sing	1.54Å	1.56Å
C8	C7	sing	1.54Å	1.56Å
C7	C6	sing	1.53Å	1.55Å
C	C1	sing	1.51Å	1.40Å
C6	N2	sing	1.47Å	1.49Å
N2	C5	sing	1.35Å	1.39Å
C1	N1	sing	1.34Å	1.40Å	Aromatic
C1	C2	doub	1.38Å	1.38Å	Aromatic
C4	N1	sing	1.46Å	1.47Å
C5	C2	sing	1.47Å	1.47Å
C5	O	doub	1.22Å	1.20Å
N1	N	sing	1.40Å	1.34Å	Aromatic
C2	C3	sing	1.41Å	1.43Å	Aromatic
N	C3	doub	1.30Å	1.37Å	Aromatic
C4	H1	sing	1.09Å	1.10Å
C4	H2	sing	1.09Å	1.10Å
C4	H3	sing	1.09Å	1.10Å
C6	H4	sing	1.09Å	1.10Å
C6	H5	sing	1.09Å	1.10Å
C7	H6	sing	1.09Å	1.10Å
C8	H7	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å
C10	H9	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
N2	H11	sing	0.97Å	1.00Å
C9	H12	sing	1.09Å	1.10Å
C9	H13	sing	1.09Å	1.10Å
C3	H14	sing	1.08Å	1.08Å
C	H15	sing	1.09Å	1.10Å
C	H16	sing	1.09Å	1.10Å
C	H17	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	C9	C8	88.2°	87.1°
C9	C10	C7	85.1°	87.0°
C9	C10	H9	115.2°	113.6°
C9	C10	H10	115.2°	113.8°
C10	C9	H12	114.5°	113.6°
C10	C9	H13	114.5°	113.6°
C9	C8	C7	85.4°	87.1°
C9	C8	H7	115.1°	113.6°
C9	C8	H8	115.1°	113.6°
C8	C9	H12	114.5°	113.6°
C8	C9	H13	114.5°	113.7°
C10	C7	C8	87.6°	87.2°
C10	C7	C6	119.5°	113.6°
C10	C7	H6	110.7°	113.6°
C7	C10	H9	115.2°	113.6°
C7	C10	H10	115.2°	113.6°
C8	C7	C6	115.8°	113.6°
C8	C7	H6	110.6°	113.6°
C7	C8	H7	115.1°	113.6°
C7	C8	H8	115.1°	113.6°
C7	C6	N2	108.7°	109.5°
C7	C6	H4	109.7°	109.5°
C7	C6	H5	109.7°	109.5°
C6	C7	H6	110.7°	112.8°
C	C1	N1	121.9°	126.3°
C	C1	C2	130.5°	126.3°
C1	C	H15	109.5°	109.5°
C1	C	H16	109.5°	109.4°
C1	C	H17	109.5°	109.4°
C6	N2	C5	124.7°	120.0°
N2	C6	H4	109.7°	109.4°
N2	C6	H5	109.7°	109.5°
C6	N2	H11	117.6°	120.0°
N2	C5	C2	116.6°	120.0°
N2	C5	O	122.5°	120.0°
C5	N2	H11	117.7°	120.0°
N1	C1	C2	107.6°	107.4°
C1	N1	C4	126.7°	125.8°
C1	N1	N	111.0°	108.5°
C1	C2	C5	130.4°	126.4°
C1	C2	C3	104.8°	107.2°
C4	N1	N	122.2°	125.8°
N1	C4	H1	109.5°	109.5°
N1	C4	H2	109.4°	109.5°
N1	C4	H3	109.5°	109.5°
C2	C5	O	120.8°	120.0°
C5	C2	C3	124.6°	126.4°
N1	N	C3	106.6°	109.0°
C2	C3	N	109.9°	108.0°
C2	C3	H14	125.0°	126.0°
N	C3	H14	125.0°	126.0°
H1	C4	H2	109.5°	109.5°
H1	C4	H3	109.4°	109.5°
H2	C4	H3	109.5°	109.4°
H4	C6	H5	109.4°	109.5°
H7	C8	H8	109.5°	112.9°
H9	C10	H10	109.5°	112.9°
H12	C9	H13	109.5°	112.9°
H15	C	H16	109.5°	109.4°
H15	C	H17	109.5°	109.6°
H16	C	H17	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	C9	C8	H12	116.2°	114.5°
C10	C9	C8	H13	116.2°	114.6°
C9	C10	C7	H9	115.6°	114.5°
C9	C10	C7	H10	115.5°	114.7°
C10	C9	C8	C7	27.5°	25.4°
C9	C10	C7	C6	145.8°	140.0°
C9	C10	C7	H6	83.8°	89.3°
C10	C9	C8	H7	88.1°	139.9°
C10	C9	C8	H8	143.1°	89.2°
C9	C10	H9	H10	131.6°	131.4°
C10	C9	H12	H13	130.1°	131.2°
C9	C8	C7	H7	115.6°	114.5°
C9	C8	C7	H8	115.6°	114.6°
C9	C8	C7	C6	149.4°	140.0°
C9	C8	C7	H6	83.6°	89.2°
C9	C8	H7	H8	131.5°	131.2°
C8	C9	C10	H9	143.3°	89.1°
C8	C9	C10	H10	87.9°	139.9°
C8	C9	H12	H13	130.1°	131.3°
C10	C7	C8	C6	121.8°	114.6°
C10	C7	C8	H6	111.2°	114.6°
C10	C7	C6	H6	130.4°	131.1°
C10	C7	C6	N2	82.6°	85.8°
C10	C7	C6	H4	37.3°	34.1°
C10	C7	C6	H5	157.5°	154.2°
C10	C7	C8	H7	88.0°	139.9°
C10	C7	C8	H8	143.2°	89.2°
C7	C10	H9	H10	131.7°	131.2°
C7	C10	C9	H12	143.9°	89.2°
C7	C10	C9	H13	88.5°	140.0°
C8	C7	C6	H6	126.9°	131.2°
C8	C7	C6	N2	174.7°	176.5°
C8	C7	C6	H4	65.4°	63.5°
C8	C7	C6	H5	54.8°	56.5°
C7	C8	H7	H8	131.5°	131.2°
C8	C7	C10	H9	142.8°	89.2°
C8	C7	C10	H10	88.2°	140.0°
C7	C8	C9	H12	143.8°	89.2°
C7	C8	C9	H13	88.6°	139.9°
C7	C6	N2	H4	119.9°	120.0°
C7	C6	N2	H5	119.9°	120.0°
C7	C6	N2	C5	123.3°	180.0°
C7	C6	H4	H5	120.3°	120.0°
C6	C7	C8	H7	33.8°	105.5°
C6	C7	C8	H8	95.0°	25.4°
C6	C7	C10	H9	98.7°	25.4°
C6	C7	C10	H10	30.2°	105.4°
C7	C6	N2	H11	56.8°	0.0°
C	C1	N1	C2	178.3°	180.0°
C	C1	N1	C4	5.0°	0.3°
C	C1	C2	C5	6.6°	0.2°
C	C1	N1	N	177.3°	180.0°
C	C1	C2	C3	177.1°	179.8°
C1	C	H15	H16	120.0°	119.9°
C1	C	H15	H17	120.0°	120.0°
C1	C	H16	H17	120.0°	119.9°
C6	N2	C5	H11	180.0°	180.0°
C6	N2	C5	C2	179.1°	180.0°
C6	N2	C5	O	4.2°	0.0°
N2	C6	H4	H5	120.3°	120.0°
N2	C6	C7	H6	47.8°	45.3°
N2	C5	C2	C1	26.3°	179.6°
N2	C5	C2	O	176.8°	179.9°
N2	C5	C2	C3	158.0°	0.1°
C5	N2	C6	H4	116.8°	60.0°
C5	N2	C6	H5	3.4°	60.0°
C1	N1	C4	N	177.5°	179.7°
N1	C1	C2	C5	175.3°	179.8°
N1	C1	C2	C3	1.1°	0.3°
C1	N1	N	C3	0.6°	0.2°
C1	N1	C4	H1	177.5°	90.3°
C1	N1	C4	H2	57.5°	29.8°
C1	N1	C4	H3	62.5°	149.7°
N1	C1	C	H15	90.9°	90.1°
N1	C1	C	H16	149.1°	150.0°
N1	C1	C	H17	29.1°	30.0°
C2	C1	N1	C4	176.7°	179.7°
C1	C2	C5	C3	175.7°	179.5°
C1	C2	C5	O	150.5°	0.5°
C2	C1	N1	N	1.1°	0.0°
C1	C2	C3	N	0.8°	0.4°
C1	C2	C3	H14	179.2°	179.6°
C2	C1	C	H15	91.2°	89.9°
C2	C1	C	H16	28.8°	30.0°
C2	C1	C	H17	148.8°	150.0°
C4	N1	N	C3	177.3°	180.0°
N1	C4	H1	H2	120.0°	120.0°
N1	C4	H1	H3	120.0°	120.0°
N1	C4	H2	H3	120.0°	120.0°
C5	C2	C3	N	175.9°	180.0°
C2	C5	N2	H11	0.9°	0.1°
C5	C2	C3	H14	4.1°	0.1°
O	C5	C2	C3	25.2°	180.0°
O	C5	N2	H11	175.9°	180.0°
N1	N	C3	C2	0.1°	0.4°
N	N1	C4	H1	0.0°	90.0°
N	N1	C4	H2	120.0°	150.0°
N	N1	C4	H3	120.0°	30.0°
N1	N	C3	H14	179.9°	179.7°
C2	C3	N	H14	180.0°	180.0°
H1	C4	H2	H3	120.0°	120.0°
H4	C6	C7	H6	167.7°	165.3°
H4	C6	N2	H11	63.1°	120.0°
H5	C6	C7	H6	72.1°	74.7°
H5	C6	N2	H11	176.7°	120.0°
H6	C7	C8	H7	160.7°	25.3°
H6	C7	C8	H8	32.0°	156.2°
H6	C7	C10	H9	31.8°	156.2°
H6	C7	C10	H10	160.7°	25.4°
H7	C8	C9	H12	28.1°	25.4°
H7	C8	C9	H13	155.7°	105.5°
H8	C8	C9	H12	100.6°	156.2°
H8	C8	C9	H13	27.0°	25.3°
H9	C10	C9	H12	100.5°	156.4°
H9	C10	C9	H13	27.1°	25.5°
H10	C10	C9	H12	28.3°	25.4°
H10	C10	C9	H13	155.9°	105.5°
H15	C	H16	H17	120.0°	120.1°

Release date:	2019-01-23
Definition date:	2018-12-17
Last modified:	2019-01-18
Release status:	REL
Processing site:	EBI
Derived from:	6Q8Z