C9Q

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C8	C7	sing	1.53Å	1.52Å
C7	N1	sing	1.46Å	1.46Å
N1	C6	sing	1.35Å	1.38Å
O1	C6	doub	1.22Å	1.23Å
C6	C5	sing	1.47Å	1.46Å
CL1	C13	sing	1.74Å	1.75Å
C5	N2	sing	1.38Å	1.38Å	Aromatic
C5	C4	doub	1.36Å	1.38Å	Aromatic
N2	C9	sing	1.37Å	1.36Å	Aromatic
C4	C3	sing	1.41Å	1.43Å	Aromatic
C13	C12	doub	1.38Å	1.39Å	Aromatic
C13	C14	sing	1.38Å	1.39Å	Aromatic
C12	C11	sing	1.40Å	1.43Å	Aromatic
C9	C3	doub	1.41Å	1.37Å	Aromatic
C9	N3	sing	1.33Å	1.33Å	Aromatic
C3	C2	sing	1.41Å	1.40Å	Aromatic
N3	C10	doub	1.32Å	1.36Å	Aromatic
C2	C11	sing	1.48Å	1.46Å
C2	C1	doub	1.39Å	1.40Å	Aromatic
C14	C15	doub	1.38Å	1.40Å	Aromatic
C11	C16	doub	1.39Å	1.39Å	Aromatic
C10	C1	sing	1.38Å	1.37Å	Aromatic
C15	C16	sing	1.38Å	1.39Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C7	H2	sing	1.09Å	1.10Å
C7	H3	sing	1.09Å	1.10Å
C8	H4	sing	1.09Å	1.10Å
C8	H5	sing	1.09Å	1.10Å
C8	H6	sing	1.09Å	1.10Å
C10	H7	sing	1.08Å	1.08Å
C12	H8	sing	1.08Å	1.08Å
C14	H9	sing	1.08Å	1.08Å
C15	H10	sing	1.08Å	1.08Å
C16	H11	sing	1.08Å	1.08Å
C4	H12	sing	1.08Å	1.08Å
N2	H13	sing	0.97Å	1.00Å
N1	H14	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C8	C7	N1	113.3°	109.4°
C8	C7	H2	108.5°	109.4°
C8	C7	H3	108.5°	109.5°
C7	C8	H4	109.5°	109.5°
C7	C8	H5	109.5°	109.5°
C7	C8	H6	109.5°	109.5°
C7	N1	C6	122.7°	120.0°
N1	C7	H2	108.5°	109.5°
N1	C7	H3	108.5°	109.5°
C7	N1	H14	118.7°	120.0°
N1	C6	O1	118.9°	120.0°
N1	C6	C5	119.6°	120.0°
C6	N1	H14	118.6°	120.0°
O1	C6	C5	121.5°	120.0°
C6	C5	N2	129.0°	125.5°
C6	C5	C4	125.9°	125.5°
CL1	C13	C12	121.9°	119.9°
CL1	C13	C14	119.1°	120.0°
N2	C5	C4	105.0°	109.1°
C5	N2	C9	111.6°	108.9°
C5	N2	H13	124.2°	125.5°
C5	C4	C3	109.2°	107.6°
C5	C4	H12	125.4°	126.2°
N2	C9	C3	108.0°	107.2°
N2	C9	N3	124.0°	132.8°
C9	N2	H13	124.2°	125.6°
C4	C3	C9	106.2°	107.3°
C4	C3	C2	136.1°	133.6°
C3	C4	H12	125.4°	126.2°
C12	C13	C14	119.0°	120.1°
C13	C12	C11	122.0°	119.8°
C13	C12	H8	119.0°	120.1°
C13	C14	C15	119.8°	120.3°
C13	C14	H9	120.1°	119.8°
C12	C11	C2	118.0°	120.1°
C12	C11	C16	117.4°	119.8°
C11	C12	H8	119.0°	120.1°
C3	C9	N3	128.0°	120.0°
C9	C3	C2	117.7°	119.1°
C9	N3	C10	112.4°	122.0°
C3	C2	C11	117.5°	121.1°
C3	C2	C1	117.4°	117.9°
N3	C10	C1	125.9°	121.7°
N3	C10	H7	117.1°	119.2°
C11	C2	C1	125.1°	121.0°
C2	C11	C16	124.6°	120.2°
C2	C1	C10	118.6°	119.3°
C2	C1	H1	120.7°	120.3°
C14	C15	C16	121.1°	120.1°
C15	C14	H9	120.1°	119.8°
C14	C15	H10	119.5°	119.9°
C11	C16	C15	120.7°	119.9°
C11	C16	H11	119.7°	120.0°
C10	C1	H1	120.7°	120.4°
C1	C10	H7	117.1°	119.1°
C16	C15	H10	119.5°	120.0°
C15	C16	H11	119.7°	120.1°
H2	C7	H3	109.5°	109.5°
H4	C8	H5	109.5°	109.4°
H4	C8	H6	109.5°	109.5°
H5	C8	H6	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C8	C7	N1	H2	120.6°	120.0°
C8	C7	N1	H3	120.5°	120.0°
C8	C7	N1	C6	158.8°	180.0°
C8	C7	H2	H3	118.3°	120.0°
C7	C8	H4	H5	120.0°	120.0°
C7	C8	H4	H6	120.0°	120.0°
C7	C8	H5	H6	120.0°	120.0°
C8	C7	N1	H14	21.2°	0.0°
C7	N1	C6	H14	180.0°	180.0°
C7	N1	C6	O1	13.5°	0.0°
C7	N1	C6	C5	167.4°	180.0°
N1	C7	H2	H3	118.3°	120.1°
N1	C7	C8	H4	180.0°	60.0°
N1	C7	C8	H5	60.0°	60.0°
N1	C7	C8	H6	60.0°	180.0°
N1	C6	O1	C5	179.1°	180.0°
N1	C6	C5	N2	9.4°	0.0°
N1	C6	C5	C4	173.2°	179.9°
C6	N1	C7	H2	80.6°	60.0°
C6	N1	C7	H3	38.3°	60.0°
O1	C6	C5	N2	171.5°	180.0°
O1	C6	C5	C4	6.0°	0.1°
O1	C6	N1	H14	166.5°	180.0°
C6	C5	N2	C4	177.9°	179.9°
C6	C5	N2	C9	178.1°	179.9°
C6	C5	C4	C3	179.1°	180.0°
C6	C5	C4	H12	0.9°	0.0°
C6	C5	N2	H13	1.9°	0.0°
C5	C6	N1	H14	12.6°	0.0°
CL1	C13	C12	C14	179.6°	180.0°
CL1	C13	C12	C11	178.7°	180.0°
CL1	C13	C14	C15	179.5°	180.0°
CL1	C13	C12	H8	1.3°	0.1°
CL1	C13	C14	H9	0.4°	0.0°
C5	N2	C9	H13	180.0°	180.0°
N2	C5	C4	C3	1.1°	0.0°
C5	N2	C9	C3	0.8°	0.1°
C5	N2	C9	N3	179.8°	180.0°
N2	C5	C4	H12	178.9°	180.0°
C4	C5	N2	C9	0.2°	0.0°
C5	C4	C3	H12	180.0°	180.0°
C5	C4	C3	C9	1.6°	0.1°
C5	C4	C3	C2	179.2°	180.0°
C4	C5	N2	H13	179.7°	180.0°
N2	C9	C3	C4	1.4°	0.1°
N2	C9	C3	N3	179.3°	180.0°
N2	C9	C3	C2	179.6°	180.0°
N2	C9	N3	C10	179.8°	179.7°
C4	C3	C9	C2	178.1°	179.9°
C4	C3	C9	N3	179.2°	180.0°
C4	C3	C2	C11	4.6°	0.0°
C4	C3	C2	C1	178.3°	180.0°
C13	C12	C11	H8	180.0°	179.9°
C13	C12	C11	C2	180.0°	180.0°
C12	C13	C14	C15	0.9°	0.0°
C13	C12	C11	C16	1.9°	0.3°
C12	C13	C14	H9	179.2°	180.0°
C14	C13	C12	C11	0.9°	0.0°
C13	C14	C15	H9	180.0°	180.0°
C13	C14	C15	C16	1.6°	0.3°
C14	C13	C12	H8	179.1°	179.9°
C13	C14	C15	H10	178.4°	180.0°
C12	C11	C2	C3	48.8°	49.7°
C12	C11	C2	C16	177.9°	179.7°
C12	C11	C2	C1	128.2°	130.3°
C12	C11	C16	C15	1.2°	0.6°
C12	C11	C16	H11	178.8°	179.7°
C3	C9	N3	C10	1.0°	0.3°
C9	C3	C2	C11	178.0°	179.9°
C9	C3	C2	C1	0.9°	0.1°
C9	C3	C4	H12	178.4°	179.9°
C3	C9	N2	H13	179.2°	180.0°
N3	C9	C3	C2	1.1°	0.0°
C9	N3	C10	C1	0.8°	0.5°
C9	N3	C10	H7	179.2°	179.7°
N3	C9	N2	H13	0.1°	0.0°
C3	C2	C11	C1	176.9°	180.0°
C3	C2	C11	C16	133.3°	130.0°
C3	C2	C1	C10	0.7°	0.2°
C3	C2	C1	H1	179.3°	180.0°
C2	C3	C4	H12	0.8°	0.0°
N3	C10	C1	C2	0.7°	0.5°
N3	C10	C1	H7	180.0°	179.7°
N3	C10	C1	H1	179.3°	179.7°
C11	C2	C1	C10	177.7°	179.8°
C2	C11	C16	C15	179.1°	179.7°
C11	C2	C1	H1	2.4°	0.0°
C2	C11	C12	H8	0.0°	0.1°
C2	C11	C16	H11	0.9°	0.0°
C1	C2	C11	C16	49.8°	50.0°
C2	C1	C10	H1	180.0°	179.8°
C2	C1	C10	H7	179.3°	179.7°
C14	C15	C16	C11	0.5°	0.6°
C14	C15	C16	H10	180.0°	179.7°
C14	C15	C16	H11	179.5°	179.7°
C11	C16	C15	H11	180.0°	179.6°
C16	C11	C12	H8	178.1°	179.8°
C11	C16	C15	H10	179.5°	179.7°
C16	C15	C14	H9	178.4°	179.7°
H1	C1	C10	H7	0.7°	0.1°
H2	C7	C8	H4	59.5°	60.0°
H2	C7	C8	H5	60.6°	180.0°
H2	C7	C8	H6	179.5°	60.0°
H2	C7	N1	H14	99.4°	120.0°
H3	C7	C8	H4	59.4°	180.0°
H3	C7	C8	H5	179.5°	60.0°
H3	C7	C8	H6	60.6°	60.0°
H3	C7	N1	H14	141.8°	120.0°
H4	C8	H5	H6	120.0°	120.0°
H9	C14	C15	H10	1.5°	0.0°
H10	C15	C16	H11	0.5°	0.1°

Release date:	2018-03-07
Definition date:	2017-11-23
Last modified:	2018-03-02
Release status:	REL
Processing site:	EBI
Derived from:	6F1X