Q1Q

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C4	C2	sing	1.50Å	1.54Å
C4	C7	sing	1.53Å	1.55Å
C3	N1	doub	1.32Å	1.40Å	Aromatic
C3	C2	sing	1.39Å	1.39Å	Aromatic
N2	C7	sing	1.47Å	1.48Å
N1	C	sing	1.33Å	1.39Å	Aromatic
C2	C1	doub	1.38Å	1.42Å	Aromatic
C7	C8	sing	1.53Å	1.56Å
C	C5	sing	1.48Å	1.47Å
C	N	doub	1.32Å	1.38Å	Aromatic
C1	N	sing	1.33Å	1.41Å	Aromatic
C1	C6	sing	1.50Å	1.54Å
C8	C6	sing	1.53Å	1.55Å
C10	C5	doub	1.39Å	1.40Å	Aromatic
C10	C11	sing	1.38Å	1.40Å	Aromatic
C5	C9	sing	1.39Å	1.39Å	Aromatic
C11	C13	doub	1.38Å	1.39Å	Aromatic
C9	C12	doub	1.38Å	1.40Å	Aromatic
C13	C12	sing	1.38Å	1.39Å	Aromatic
C4	H1	sing	1.09Å	1.10Å
C4	H2	sing	1.09Å	1.10Å
C6	H3	sing	1.09Å	1.10Å
C6	H4	sing	1.09Å	1.10Å
C7	H5	sing	1.09Å	1.10Å
C8	H6	sing	1.09Å	1.10Å
C8	H7	sing	1.09Å	1.10Å
C12	H8	sing	1.08Å	1.08Å
C3	H9	sing	1.08Å	1.08Å
N2	H10	sing	1.01Å	1.00Å
N2	H11	sing	1.01Å	1.00Å
C10	H13	sing	1.08Å	1.08Å
C11	H14	sing	1.08Å	1.08Å
C13	H15	sing	1.08Å	1.08Å
C9	H16	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C4	C7	114.3°	110.5°
C4	C2	C3	119.4°	118.7°
C4	C2	C1	122.7°	122.7°
C2	C4	H1	108.3°	109.3°
C2	C4	H2	108.3°	109.3°
C4	C7	N2	113.3°	109.7°
C4	C7	C8	110.7°	108.5°
C7	C4	H1	108.3°	109.3°
C7	C4	H2	108.2°	109.3°
C4	C7	H5	107.7°	109.6°
N1	C3	C2	120.8°	119.4°
C3	N1	C	121.6°	120.5°
N1	C3	H9	119.6°	120.3°
C3	C2	C1	117.9°	118.6°
C2	C3	H9	119.6°	120.3°
N2	C7	C8	108.8°	109.7°
N2	C7	H5	108.6°	109.8°
C7	N2	H10	109.5°	111.0°
C7	N2	H11	109.5°	111.0°
N1	C	C5	121.3°	119.3°
N1	C	N	118.2°	121.5°
C2	C1	N	120.3°	118.9°
C2	C1	C6	121.0°	122.6°
C7	C8	C6	114.5°	108.5°
C8	C7	H5	107.6°	109.6°
C7	C8	H6	108.2°	109.6°
C7	C8	H7	108.2°	109.6°
C5	C	N	120.3°	119.2°
C	C5	C10	119.4°	120.1°
C	C5	C9	121.4°	120.1°
C	N	C1	121.2°	121.0°
N	C1	C6	118.7°	118.5°
C1	C6	C8	115.1°	110.5°
C1	C6	H3	108.0°	109.3°
C1	C6	H4	108.1°	109.2°
C8	C6	H3	108.1°	109.3°
C8	C6	H4	108.0°	109.3°
C6	C8	H6	108.2°	109.7°
C6	C8	H7	108.2°	109.7°
C5	C10	C11	120.3°	119.9°
C10	C5	C9	119.0°	119.7°
C5	C10	H13	119.9°	120.1°
C10	C11	C13	120.4°	120.1°
C11	C10	H13	119.9°	120.0°
C10	C11	H14	119.8°	119.9°
C5	C9	C12	120.3°	119.9°
C5	C9	H16	119.9°	120.0°
C11	C13	C12	119.1°	120.2°
C13	C11	H14	119.8°	119.9°
C11	C13	H15	120.5°	119.9°
C9	C12	C13	121.0°	120.1°
C9	C12	H8	119.5°	119.9°
C12	C9	H16	119.8°	120.1°
C13	C12	H8	119.5°	119.9°
C12	C13	H15	120.5°	119.9°
H1	C4	H2	109.5°	109.1°
H3	C6	H4	109.5°	109.3°
H6	C8	H7	109.4°	109.8°
H10	N2	H11	109.4°	111.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C4	C7	H1	120.7°	120.3°
C2	C4	C7	H2	120.7°	120.4°
C4	C2	C3	N1	179.7°	179.7°
C4	C2	C3	C1	179.7°	179.9°
C2	C4	C7	N2	167.2°	170.6°
C2	C4	C7	C8	44.7°	50.8°
C4	C2	C1	N	179.2°	179.7°
C4	C2	C1	C6	0.5°	0.6°
C2	C4	H1	H2	117.8°	119.5°
C2	C4	C7	H5	72.7°	68.8°
C4	C2	C3	H9	0.3°	0.3°
C7	C4	C2	C3	160.8°	162.6°
C4	C7	N2	C8	123.6°	119.0°
C4	C7	N2	H5	119.6°	120.5°
C7	C4	C2	C1	19.5°	17.5°
C4	C7	C8	H5	117.5°	119.6°
C4	C7	C8	C6	53.8°	69.8°
C7	C4	H1	H2	117.8°	119.5°
C4	C7	C8	H6	67.0°	170.5°
C4	C7	C8	H7	174.6°	49.9°
C4	C7	N2	H10	180.0°	60.0°
C4	C7	N2	H11	60.0°	176.0°
N1	C3	C2	H9	180.0°	179.9°
N1	C3	C2	C1	0.0°	0.1°
C3	N1	C	C5	176.8°	179.8°
C3	N1	C	N	2.3°	0.2°
C2	C3	N1	C	1.4°	0.0°
C3	C2	C1	N	0.4°	0.2°
C3	C2	C1	C6	179.8°	179.6°
C3	C2	C4	H1	78.4°	42.3°
C3	C2	C4	H2	40.2°	77.0°
N2	C7	C8	H5	117.4°	120.6°
N2	C7	C8	C6	178.9°	170.4°
N2	C7	C4	H1	46.5°	69.2°
N2	C7	C4	H2	72.1°	50.2°
N2	C7	C8	H6	58.1°	50.7°
N2	C7	C8	H7	60.3°	69.9°
C7	N2	H10	H11	120.0°	124.0°
N1	C	C5	N	174.4°	180.0°
N1	C	N	C1	1.9°	0.1°
N1	C	C5	C10	24.7°	179.7°
N1	C	C5	C9	161.2°	0.0°
C	N1	C3	H9	178.6°	180.0°
C2	C1	N	C	0.5°	0.1°
C2	C1	N	C6	179.8°	179.8°
C2	C1	C6	C8	8.5°	17.7°
C1	C2	C4	H1	101.2°	137.8°
C1	C2	C4	H2	140.2°	102.9°
C2	C1	C6	H3	112.3°	138.0°
C2	C1	C6	H4	129.4°	102.5°
C1	C2	C3	H9	180.0°	179.8°
C7	C8	C6	C1	35.6°	51.1°
C7	C8	C6	H6	120.7°	119.7°
C7	C8	C6	H7	120.8°	119.7°
C8	C7	C4	H1	76.0°	171.1°
C8	C7	C4	H2	165.4°	69.6°
C7	C8	C6	H3	85.2°	171.4°
C7	C8	C6	H4	156.5°	69.1°
C7	C8	H6	H7	117.7°	120.4°
C8	C7	N2	H10	56.4°	179.0°
C8	C7	N2	H11	63.6°	57.0°
C5	C	N	C1	176.5°	179.9°
C	C5	C10	C9	174.3°	179.7°
C	C5	C10	C11	177.4°	179.7°
C	C5	C9	C12	176.4°	179.7°
C	C5	C10	H13	2.6°	0.3°
C	C5	C9	H16	3.6°	0.0°
C	N	C1	C6	179.2°	179.7°
N	C	C5	C10	149.7°	0.3°
N	C	C5	C9	24.4°	180.0°
N	C1	C6	C8	171.2°	162.5°
N	C1	C6	H3	67.9°	42.3°
N	C1	C6	H4	50.4°	77.2°
C1	C6	C8	H3	120.8°	120.3°
C1	C6	C8	H4	120.8°	120.2°
C1	C6	H3	H4	117.4°	119.4°
C1	C6	C8	H6	85.1°	170.8°
C1	C6	C8	H7	156.4°	68.6°
C8	C6	H3	H4	117.4°	119.6°
C6	C8	C7	H5	63.7°	49.8°
C6	C8	H6	H7	117.7°	120.6°
C5	C10	C11	H13	180.0°	179.9°
C5	C10	C11	C13	2.5°	0.0°
C10	C5	C9	C12	2.3°	0.0°
C5	C10	C11	H14	177.5°	180.0°
C10	C5	C9	H16	177.7°	179.7°
C11	C10	C5	C9	3.1°	0.0°
C10	C11	C13	H14	180.0°	180.0°
C10	C11	C13	C12	0.9°	0.0°
C10	C11	C13	H15	179.1°	180.0°
C5	C9	C12	H16	180.0°	179.7°
C5	C9	C12	C13	0.7°	0.0°
C5	C9	C12	H8	179.3°	180.0°
C9	C5	C10	H13	176.9°	180.0°
C11	C13	C12	C9	0.0°	0.0°
C11	C13	C12	H15	180.0°	180.0°
C11	C13	C12	H8	180.0°	180.0°
C13	C11	C10	H13	177.5°	180.0°
C9	C12	C13	H8	180.0°	180.0°
C9	C12	C13	H15	180.0°	180.0°
C12	C13	C11	H14	179.1°	180.0°
C13	C12	C9	H16	179.3°	179.7°
H1	C4	C7	H5	166.6°	51.5°
H2	C4	C7	H5	48.0°	170.8°
H3	C6	C8	H6	154.1°	69.0°
H3	C6	C8	H7	35.6°	51.7°
H4	C6	C8	H6	35.7°	50.6°
H4	C6	C8	H7	82.8°	171.2°
H5	C7	C8	H6	175.6°	69.9°
H5	C7	C8	H7	57.1°	169.6°
H5	C7	N2	H10	60.4°	60.5°
H5	C7	N2	H11	179.6°	63.5°
H8	C12	C13	H15	0.0°	0.0°
H8	C12	C9	H16	0.7°	0.3°
H13	C10	C11	H14	2.5°	0.0°
H14	C11	C13	H15	0.9°	0.0°

Release date:	2021-05-12
Definition date:	2020-05-05
Last modified:	2021-05-07
Release status:	REL
Processing site:	PDBE
Derived from:	6YYQ