XQ7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F1	C12	sing	1.40Å	1.38Å
C11	C10	sing	1.53Å	1.53Å
C11	C12	sing	1.53Å	1.50Å
C10	C9	sing	1.53Å	1.52Å
C12	C13	sing	1.53Å	1.50Å
C12	F	sing	1.40Å	1.38Å
C9	C8	sing	1.53Å	1.51Å
C9	C14	sing	1.53Å	1.52Å
C13	C14	sing	1.53Å	1.53Å
C	N	sing	1.47Å	1.46Å
C	C1	sing	1.53Å	1.53Å
C8	O1	sing	1.43Å	1.44Å
C1	C2	sing	1.53Å	1.53Å
O	C2	sing	1.43Å	1.42Å
O1	C7	sing	1.36Å	1.38Å
C15	C7	doub	1.39Å	1.39Å	Aromatic
C15	C3	sing	1.38Å	1.39Å	Aromatic
C2	C3	sing	1.51Å	1.52Å
C7	C6	sing	1.39Å	1.38Å	Aromatic
C3	C4	doub	1.38Å	1.38Å	Aromatic
C6	C5	doub	1.38Å	1.38Å	Aromatic
C4	C5	sing	1.38Å	1.38Å	Aromatic
C11	H1	sing	1.09Å	1.10Å
C11	H2	sing	1.09Å	1.10Å
C10	H3	sing	1.09Å	1.10Å
C10	H4	sing	1.09Å	1.10Å
C13	H5	sing	1.09Å	1.10Å
C13	H6	sing	1.09Å	1.10Å
C14	H7	sing	1.09Å	1.10Å
C14	H8	sing	1.09Å	1.10Å
C9	H9	sing	1.09Å	1.10Å
C8	H10	sing	1.09Å	1.10Å
C8	H11	sing	1.09Å	1.10Å
C6	H12	sing	1.08Å	1.08Å
C5	H13	sing	1.08Å	1.08Å
C4	H14	sing	1.08Å	1.08Å
C15	H15	sing	1.08Å	1.08Å
C2	H16	sing	1.09Å	1.10Å
O	H17	sing	0.97Å	0.95Å
C1	H18	sing	1.09Å	1.10Å
C1	H19	sing	1.09Å	1.10Å
C	H20	sing	1.09Å	1.10Å
C	H21	sing	1.09Å	1.10Å
N	H22	sing	1.01Å	1.00Å
N	H23	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F1	C12	C11	109.4°	109.5°
F1	C12	C13	109.3°	109.5°
F1	C12	F	104.2°	109.5°
C10	C11	C12	112.3°	109.5°
C11	C10	C9	110.3°	109.5°
C10	C11	H1	108.8°	109.5°
C10	C11	H2	108.8°	109.5°
C11	C10	H3	109.3°	109.5°
C11	C10	H4	109.3°	109.5°
C11	C12	C13	114.8°	109.5°
C11	C12	F	109.3°	109.4°
C12	C11	H1	108.8°	109.4°
C12	C11	H2	108.8°	109.4°
C10	C9	C8	112.4°	109.5°
C10	C9	C14	108.6°	109.5°
C9	C10	H3	109.2°	109.5°
C9	C10	H4	109.2°	109.5°
C10	C9	H9	107.8°	109.4°
C13	C12	F	109.3°	109.4°
C12	C13	C14	111.0°	109.5°
C12	C13	H5	109.1°	109.4°
C12	C13	H6	109.1°	109.5°
C8	C9	C14	112.0°	109.5°
C9	C8	O1	108.2°	109.5°
C8	C9	H9	108.0°	109.4°
C9	C8	H10	109.8°	109.4°
C9	C8	H11	109.8°	109.5°
C9	C14	C13	109.8°	109.5°
C9	C14	H7	109.4°	109.5°
C9	C14	H8	109.4°	109.5°
C14	C9	H9	107.9°	109.5°
C14	C13	H5	109.1°	109.5°
C14	C13	H6	109.1°	109.5°
C13	C14	H7	109.4°	109.4°
C13	C14	H8	109.4°	109.5°
N	C	C1	115.6°	109.5°
N	C	H20	107.9°	109.5°
N	C	H21	107.9°	109.5°
C	N	H22	109.5°	111.0°
C	N	H23	109.5°	111.0°
C	C1	C2	114.5°	109.5°
C	C1	H18	108.2°	109.4°
C	C1	H19	108.2°	109.4°
C1	C	H20	108.0°	109.4°
C1	C	H21	107.9°	109.4°
C8	O1	C7	120.3°	117.0°
O1	C8	H10	109.8°	109.5°
O1	C8	H11	109.8°	109.5°
C1	C2	O	109.8°	109.5°
C1	C2	C3	113.4°	109.5°
C1	C2	H16	106.7°	109.5°
C2	C1	H18	108.2°	109.5°
C2	C1	H19	108.2°	109.5°
O	C2	C3	111.8°	109.5°
O	C2	H16	107.9°	109.5°
C2	O	H17	109.5°	114.0°
O1	C7	C15	120.8°	120.1°
O1	C7	C6	118.8°	120.0°
C7	C15	C3	120.2°	120.0°
C15	C7	C6	120.4°	119.9°
C7	C15	H15	119.9°	120.1°
C15	C3	C2	121.6°	120.0°
C15	C3	C4	118.7°	120.0°
C3	C15	H15	119.9°	120.0°
C2	C3	C4	119.7°	119.9°
C3	C2	H16	106.8°	109.4°
C7	C6	C5	119.3°	120.0°
C7	C6	H12	120.4°	120.1°
C3	C4	C5	120.8°	120.1°
C3	C4	H14	119.6°	119.9°
C6	C5	C4	120.5°	120.0°
C5	C6	H12	120.4°	120.0°
C6	C5	H13	119.7°	120.0°
C4	C5	H13	119.8°	120.0°
C5	C4	H14	119.6°	120.0°
H1	C11	H2	109.5°	109.5°
H3	C10	H4	109.5°	109.4°
H5	C13	H6	109.5°	109.5°
H7	C14	H8	109.5°	109.5°
H10	C8	H11	109.5°	109.5°
H18	C1	H19	109.5°	109.5°
H20	C	H21	109.5°	109.5°
H22	N	H23	109.4°	111.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F1	C12	C11	C10	171.5°	180.0°
F1	C12	C11	C13	123.2°	120.0°
F1	C12	C11	F	113.5°	120.0°
F1	C12	C13	F	113.5°	120.0°
F1	C12	C13	C14	173.3°	180.0°
F1	C12	C11	H1	51.1°	60.0°
F1	C12	C11	H2	68.1°	60.0°
F1	C12	C13	H5	53.1°	60.0°
F1	C12	C13	H6	66.5°	60.0°
C10	C11	C12	H1	120.4°	120.0°
C10	C11	C12	H2	120.4°	120.0°
C11	C10	C9	H3	120.1°	120.0°
C11	C10	C9	H4	120.1°	120.0°
C10	C11	C12	C13	48.2°	59.9°
C10	C11	C12	F	75.0°	60.0°
C11	C10	C9	C8	175.2°	180.0°
C11	C10	C9	C14	60.3°	60.0°
C10	C11	H1	H2	118.7°	120.0°
C11	C10	H3	H4	119.7°	120.0°
C11	C10	C9	H9	56.3°	60.0°
C12	C11	C10	C9	52.9°	60.0°
C11	C12	C13	F	123.2°	119.9°
C11	C12	C13	C14	50.0°	60.0°
C12	C11	H1	H2	118.7°	120.0°
C12	C11	C10	H3	67.2°	60.0°
C12	C11	C10	H4	173.0°	180.0°
C11	C12	C13	H5	70.2°	60.0°
C11	C12	C13	H6	170.2°	180.0°
C10	C9	C8	C14	122.6°	120.0°
C10	C9	C8	H9	118.8°	119.9°
C10	C9	C14	H9	116.6°	120.0°
C10	C9	C14	C13	62.6°	60.0°
C10	C9	C8	O1	87.6°	175.0°
C9	C10	C11	H1	67.5°	180.0°
C9	C10	C11	H2	173.3°	60.0°
C9	C10	H3	H4	119.6°	120.0°
C10	C9	C14	H7	57.5°	180.0°
C10	C9	C14	H8	177.4°	60.0°
C10	C9	C8	H10	32.2°	65.0°
C10	C9	C8	H11	152.6°	55.0°
C12	C13	C14	C9	56.9°	60.0°
C12	C13	C14	H5	120.2°	119.9°
C12	C13	C14	H6	120.2°	120.0°
C13	C12	C11	H1	72.2°	180.0°
C13	C12	C11	H2	168.7°	60.0°
C12	C13	H5	H6	119.3°	120.0°
C12	C13	C14	H7	63.2°	180.0°
C12	C13	C14	H8	176.9°	60.0°
F	C12	C13	C14	73.2°	60.0°
F	C12	C11	H1	164.6°	60.1°
F	C12	C11	H2	45.4°	180.0°
F	C12	C13	H5	166.5°	179.9°
F	C12	C13	H6	47.0°	60.1°
C8	C9	C14	H9	118.6°	120.0°
C8	C9	C14	C13	172.7°	180.0°
C9	C8	O1	H10	119.8°	120.0°
C9	C8	O1	H11	119.8°	120.0°
C9	C8	O1	C7	154.7°	180.0°
C8	C9	C10	H3	64.6°	60.0°
C8	C9	C10	H4	55.1°	60.0°
C8	C9	C14	H7	67.2°	60.0°
C8	C9	C14	H8	52.6°	60.0°
C9	C8	H10	H11	120.6°	120.0°
C9	C14	C13	H7	120.1°	120.0°
C9	C14	C13	H8	120.0°	120.0°
C14	C9	C8	O1	35.0°	65.0°
C14	C9	C10	H3	59.8°	60.0°
C14	C9	C10	H4	179.6°	180.0°
C9	C14	C13	H5	63.4°	59.9°
C9	C14	C13	H6	177.1°	180.0°
C9	C14	H7	H8	119.8°	120.0°
C14	C9	C8	H10	154.8°	55.0°
C14	C9	C8	H11	84.8°	175.0°
C14	C13	H5	H6	119.3°	120.0°
C13	C14	H7	H8	119.8°	120.0°
C13	C14	C9	H9	54.0°	60.0°
N	C	C1	H20	120.9°	120.0°
N	C	C1	H21	120.9°	120.0°
N	C	C1	C2	11.8°	180.0°
N	C	C1	H18	132.5°	60.0°
N	C	C1	H19	108.9°	59.9°
N	C	H20	H21	117.2°	120.1°
C	N	H22	H23	120.0°	124.0°
C	C1	C2	H18	120.7°	120.0°
C	C1	C2	H19	120.7°	120.0°
C	C1	C2	O	41.5°	65.0°
C	C1	C2	C3	167.4°	175.0°
C	C1	C2	H16	75.2°	55.0°
C	C1	H18	H19	117.7°	119.9°
C1	C	H20	H21	117.2°	119.9°
C1	C	N	H22	180.0°	56.0°
C1	C	N	H23	60.0°	180.0°
C8	O1	C7	C15	0.1°	179.8°
C8	O1	C7	C6	179.9°	0.0°
O1	C8	C9	H9	153.6°	55.1°
O1	C8	H10	H11	120.6°	120.0°
C1	C2	O	C3	126.9°	120.1°
C1	C2	O	H16	116.0°	120.0°
C1	C2	C3	C15	46.9°	100.0°
C1	C2	C3	H16	117.3°	120.0°
C1	C2	C3	C4	133.7°	80.6°
C1	C2	O	H17	180.0°	60.0°
C2	C1	H18	H19	117.8°	120.0°
C2	C1	C	H20	109.1°	59.9°
C2	C1	C	H21	132.7°	60.0°
O	C2	C3	C15	78.0°	140.0°
O	C2	C3	H16	117.9°	120.0°
O	C2	C3	C4	101.5°	39.5°
O	C2	C1	H18	79.2°	175.0°
O	C2	C1	H19	162.2°	55.0°
O1	C7	C15	C6	180.0°	179.8°
O1	C7	C15	C3	179.8°	179.7°
O1	C7	C6	C5	180.0°	180.0°
C7	O1	C8	H10	85.5°	60.0°
C7	O1	C8	H11	34.9°	60.0°
O1	C7	C6	H12	0.0°	0.1°
O1	C7	C15	H15	0.2°	0.1°
C7	C15	C3	H15	180.0°	179.8°
C7	C15	C3	C2	179.9°	180.0°
C7	C15	C3	C4	0.5°	0.5°
C15	C7	C6	C5	0.0°	0.2°
C15	C7	C6	H12	180.0°	179.8°
C15	C3	C2	C4	179.5°	179.5°
C3	C15	C7	C6	0.2°	0.5°
C15	C3	C4	C5	0.5°	0.3°
C15	C3	C4	H14	179.5°	179.7°
C15	C3	C2	H16	164.1°	20.0°
C2	C3	C4	C5	180.0°	179.7°
C2	C3	C4	H14	0.0°	0.3°
C2	C3	C15	H15	0.1°	0.2°
C3	C2	O	H17	53.1°	60.0°
C3	C2	C1	H18	46.7°	55.0°
C3	C2	C1	H19	71.8°	65.0°
C7	C6	C5	H12	180.0°	179.9°
C7	C6	C5	C4	0.0°	0.0°
C7	C6	C5	H13	180.0°	180.0°
C6	C7	C15	H15	179.8°	179.7°
C3	C4	C5	C6	0.3°	0.0°
C3	C4	C5	H14	180.0°	180.0°
C3	C4	C5	H13	179.7°	179.9°
C4	C3	C15	H15	179.6°	179.7°
C4	C3	C2	H16	16.4°	159.4°
C6	C5	C4	H13	180.0°	180.0°
C6	C5	C4	H14	179.7°	180.0°
C4	C5	C6	H12	180.0°	179.9°
H1	C11	C10	H3	172.3°	60.0°
H1	C11	C10	H4	52.6°	60.0°
H2	C11	C10	H3	53.2°	180.0°
H2	C11	C10	H4	66.6°	60.1°
H3	C10	C9	H9	176.5°	180.0°
H4	C10	C9	H9	63.8°	60.0°
H5	C13	C14	H7	176.5°	60.1°
H5	C13	C14	H8	56.6°	179.9°
H6	C13	C14	H7	57.0°	60.0°
H6	C13	C14	H8	62.9°	60.0°
H7	C14	C9	H9	174.1°	60.0°
H8	C14	C9	H9	66.0°	180.0°
H9	C9	C8	H10	86.6°	175.0°
H9	C9	C8	H11	33.8°	65.0°
H12	C6	C5	H13	0.0°	0.1°
H13	C5	C4	H14	0.3°	0.0°
H16	C2	O	H17	64.1°	180.0°
H16	C2	C1	H18	164.1°	65.0°
H16	C2	C1	H19	45.5°	175.0°
H18	C1	C	H20	11.6°	180.0°
H18	C1	C	H21	106.6°	60.0°
H19	C1	C	H20	130.2°	60.1°
H19	C1	C	H21	11.9°	180.0°
H20	C	N	H22	59.1°	64.0°
H20	C	N	H23	60.9°	60.1°
H21	C	N	H22	59.1°	176.0°
H21	C	N	H23	179.1°	60.0°

Release date:	2021-06-02
Definition date:	2020-12-30
Last modified:	2021-05-28
Release status:	REL
Processing site:	RCSB
Derived from:	7L0E