E8Y

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F	C7	sing	1.40Å	1.32Å
F1	C7	sing	1.40Å	1.32Å
F2	C7	sing	1.40Å	1.32Å
C7	C6	sing	1.51Å	1.49Å
C6	C8	doub	1.38Å	1.38Å	Aromatic
C6	C5	sing	1.38Å	1.40Å	Aromatic
C8	C9	sing	1.38Å	1.38Å	Aromatic
C5	C4	doub	1.39Å	1.39Å	Aromatic
C9	C10	doub	1.38Å	1.38Å	Aromatic
C4	C10	sing	1.39Å	1.39Å	Aromatic
C4	N2	sing	1.40Å	1.37Å
N2	C3	sing	1.40Å	1.36Å
C11	C3	doub	1.39Å	1.40Å	Aromatic
C11	C12	sing	1.38Å	1.40Å	Aromatic
C3	C2	sing	1.39Å	1.49Å	Aromatic
N	C	trip	1.14Å	1.26Å
C12	C13	doub	1.38Å	1.40Å	Aromatic
C2	C1	sing	1.51Å	1.51Å
C2	C14	doub	1.38Å	1.46Å	Aromatic
C	N1	sing	1.36Å	1.34Å
C1	N1	sing	1.47Å	1.48Å
C13	C14	sing	1.39Å	1.39Å	Aromatic
C14	C15	sing	1.51Å	1.51Å
N1	C15	sing	1.47Å	1.47Å
C5	H1	sing	1.08Å	1.08Å
C8	H2	sing	1.08Å	1.08Å
C10	H3	sing	1.08Å	1.08Å
C13	H4	sing	1.08Å	1.08Å
C15	H5	sing	1.09Å	1.10Å
C15	H6	sing	1.09Å	1.10Å
C1	H9	sing	1.09Å	1.10Å
C1	H10	sing	1.09Å	1.10Å
C11	H11	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å
C9	H13	sing	1.08Å	1.08Å
N2	H14	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F	C7	F1	110.8°	109.5°
F	C7	F2	108.6°	109.5°
F	C7	C6	107.9°	109.5°
F1	C7	F2	110.3°	109.5°
F1	C7	C6	111.7°	109.5°
F2	C7	C6	107.5°	109.5°
C7	C6	C8	114.8°	119.9°
C7	C6	C5	123.9°	120.0°
C8	C6	C5	121.2°	120.1°
C6	C8	C9	119.2°	120.1°
C6	C8	H2	120.4°	119.9°
C6	C5	C4	119.7°	119.9°
C6	C5	H1	120.2°	120.0°
C8	C9	C10	119.9°	120.1°
C9	C8	H2	120.4°	120.0°
C8	C9	H13	120.1°	120.0°
C5	C4	C10	118.2°	119.8°
C5	C4	N2	121.0°	120.0°
C4	C5	H1	120.2°	120.1°
C9	C10	C4	121.8°	119.9°
C9	C10	H3	119.1°	120.1°
C10	C9	H13	120.1°	120.0°
C10	C4	N2	120.7°	120.1°
C4	C10	H3	119.1°	120.0°
C4	N2	C3	122.0°	120.0°
C4	N2	H14	119.0°	120.0°
N2	C3	C11	120.7°	120.0°
N2	C3	C2	123.4°	120.0°
C3	N2	H14	119.0°	120.0°
C3	C11	C12	122.9°	119.9°
C11	C3	C2	115.9°	120.0°
C3	C11	H11	118.5°	120.1°
C11	C12	C13	122.3°	120.0°
C12	C11	H11	118.5°	120.0°
C11	C12	H12	118.8°	120.0°
C3	C2	C1	132.2°	131.2°
C3	C2	C14	119.1°	119.9°
N	C	N1	116.9°	180.0°
C12	C13	C14	118.8°	120.3°
C12	C13	H4	120.6°	119.9°
C13	C12	H12	118.9°	119.9°
C1	C2	C14	108.7°	108.9°
C2	C1	N1	101.2°	107.6°
C2	C1	H9	111.5°	109.8°
C2	C1	H10	111.5°	109.9°
C2	C14	C13	121.0°	120.0°
C2	C14	C15	110.1°	108.9°
C	N1	C1	125.3°	126.5°
C	N1	C15	121.6°	126.6°
C1	N1	C15	112.9°	106.9°
N1	C1	H9	111.5°	109.8°
N1	C1	H10	111.5°	109.8°
C13	C14	C15	128.9°	131.2°
C14	C13	H4	120.6°	119.8°
C14	C15	N1	100.6°	107.7°
C14	C15	H5	111.7°	109.8°
C14	C15	H6	111.6°	109.9°
N1	C15	H5	111.6°	109.8°
N1	C15	H6	111.6°	109.8°
H5	C15	H6	109.5°	109.8°
H9	C1	H10	109.5°	109.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F	C7	F1	F2	120.3°	120.0°
F	C7	F1	C6	120.3°	120.0°
F	C7	F2	C6	116.4°	120.0°
F	C7	C6	C8	54.3°	0.0°
F	C7	C6	C5	126.0°	179.9°
F1	C7	F2	C6	121.9°	120.0°
F1	C7	C6	C8	176.3°	120.0°
F1	C7	C6	C5	4.0°	60.1°
F2	C7	C6	C8	62.6°	120.0°
F2	C7	C6	C5	117.1°	59.9°
C7	C6	C8	C5	179.7°	179.9°
C7	C6	C8	C9	179.8°	179.9°
C7	C6	C5	C4	179.9°	180.0°
C7	C6	C5	H1	0.1°	0.1°
C7	C6	C8	H2	0.3°	0.0°
C6	C8	C9	H2	180.0°	180.0°
C8	C6	C5	C4	0.2°	0.1°
C6	C8	C9	C10	0.0°	0.0°
C8	C6	C5	H1	179.8°	180.0°
C6	C8	C9	H13	180.0°	180.0°
C5	C6	C8	C9	0.0°	0.0°
C6	C5	C4	H1	180.0°	179.9°
C6	C5	C4	C10	0.3°	0.1°
C6	C5	C4	N2	179.8°	179.8°
C5	C6	C8	H2	180.0°	179.9°
C8	C9	C10	H13	180.0°	179.9°
C8	C9	C10	C4	0.1°	0.0°
C8	C9	C10	H3	179.8°	179.7°
C5	C4	C10	C9	0.3°	0.0°
C5	C4	C10	N2	179.8°	179.7°
C5	C4	N2	C3	107.9°	138.1°
C5	C4	C10	H3	179.7°	179.7°
C5	C4	N2	H14	72.1°	42.1°
C9	C10	C4	H3	180.0°	179.7°
C9	C10	C4	N2	179.9°	179.7°
C10	C9	C8	H2	180.0°	180.0°
C10	C4	N2	C3	72.3°	42.3°
C10	C4	C5	H1	179.6°	180.0°
C4	C10	C9	H13	179.9°	180.0°
C10	C4	N2	H14	107.7°	137.6°
C4	N2	C3	H14	180.0°	179.9°
C4	N2	C3	C11	11.0°	7.7°
C4	N2	C3	C2	168.8°	172.3°
N2	C4	C5	H1	0.2°	0.4°
N2	C4	C10	H3	0.2°	0.0°
N2	C3	C11	C2	179.9°	180.0°
N2	C3	C11	C12	179.8°	179.3°
N2	C3	C2	C1	0.1°	0.0°
N2	C3	C2	C14	179.7°	179.7°
N2	C3	C11	H11	0.2°	0.0°
C3	C11	C12	H11	180.0°	179.3°
C3	C11	C12	C13	0.2°	0.9°
C11	C3	C2	C1	179.7°	180.0°
C11	C3	C2	C14	0.2°	0.3°
C3	C11	C12	H12	179.8°	180.0°
C11	C3	N2	H14	169.0°	172.4°
C12	C11	C3	C2	0.1°	0.7°
C11	C12	C13	H12	180.0°	179.1°
C11	C12	C13	C14	0.3°	0.8°
C11	C12	C13	H4	179.7°	179.2°
C3	C2	C1	C14	179.6°	179.7°
C3	C2	C1	N1	164.9°	180.0°
C3	C2	C14	C13	0.0°	0.2°
C3	C2	C14	C15	179.5°	179.8°
C3	C2	C1	H9	46.3°	60.5°
C3	C2	C1	H10	76.4°	60.5°
C2	C3	C11	H11	179.9°	180.0°
C2	C3	N2	H14	11.2°	7.6°
N	C	N1	C1	135.1°	130.8°
N	C	N1	C15	41.1°	48.9°
C12	C13	C14	C2	0.2°	0.4°
C12	C13	C14	H4	180.0°	180.0°
C12	C13	C14	C15	179.7°	180.0°
C13	C12	C11	H11	179.8°	179.8°
C2	C1	N1	C	150.8°	179.7°
C2	C1	N1	H9	118.7°	119.5°
C2	C1	N1	H10	118.7°	119.6°
C1	C2	C14	C13	179.7°	179.9°
C1	C2	C14	C15	0.1°	0.4°
C2	C1	N1	C15	25.7°	0.0°
C2	C1	H9	H10	123.8°	120.9°
C14	C2	C1	N1	14.7°	0.3°
C2	C14	C13	C15	179.5°	179.5°
C2	C14	C15	N1	14.5°	0.4°
C2	C14	C13	H4	179.8°	179.6°
C2	C14	C15	H5	104.0°	119.1°
C2	C14	C15	H6	133.1°	120.0°
C14	C2	C1	H9	133.4°	119.2°
C14	C2	C1	H10	103.9°	119.8°
C	N1	C1	C15	176.4°	179.8°
C	N1	C15	C14	151.2°	180.0°
C	N1	C15	H5	90.3°	60.5°
C	N1	C15	H6	32.6°	60.4°
C	N1	C1	H9	32.1°	60.7°
C	N1	C1	H10	90.6°	60.2°
C1	N1	C15	C14	25.4°	0.2°
C1	N1	C15	H5	93.1°	119.3°
C1	N1	C15	H6	143.9°	119.9°
N1	C1	H9	H10	123.8°	120.9°
C13	C14	C15	N1	165.0°	180.0°
C13	C14	C15	H5	76.5°	60.5°
C13	C14	C15	H6	46.5°	60.4°
C14	C13	C12	H12	179.7°	179.9°
C14	C15	N1	H5	118.6°	119.5°
C14	C15	N1	H6	118.5°	119.6°
C15	C14	C13	H4	0.3°	0.0°
C14	C15	H5	H6	124.2°	121.0°
N1	C15	H5	H6	124.1°	120.8°
C15	N1	C1	H9	144.4°	119.5°
C15	N1	C1	H10	93.0°	119.6°
H2	C8	C9	H13	0.0°	0.1°
H3	C10	C9	H13	0.1°	0.3°
H4	C13	C12	H12	0.3°	0.1°
H11	C11	C12	H12	0.2°	0.7°

Release date:	2023-06-14
Definition date:	2021-12-06
Last modified:	2023-06-09
Release status:	REL
Processing site:	RCSB
Derived from:	7T2J