A1EN7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O08	C07	doub	1.22Å	1.27Å
O09	C07	sing	1.35Å	1.25Å
C07	C06	sing	1.47Å	1.51Å
C10	C06	doub	1.33Å	1.30Å
C06	C05	sing	1.51Å	1.50Å
O03	C04	sing	1.43Å	1.46Å
O03	B02	sing	1.42Å	1.41Å
O01	B02	sing	1.42Å	1.37Å
C05	C04	sing	1.53Å	1.47Å
C04	C11	sing	1.51Å	1.49Å
B02	C20	sing	1.57Å	1.56Å
C11	C20	doub	1.39Å	1.34Å	Aromatic
C11	C12	sing	1.38Å	1.41Å	Aromatic
C20	C19	sing	1.39Å	1.40Å	Aromatic
C12	C13	doub	1.38Å	1.37Å	Aromatic
C19	C14	doub	1.39Å	1.38Å	Aromatic
C13	C14	sing	1.39Å	1.37Å	Aromatic
C14	O15	sing	1.36Å	1.41Å
O15	C16	sing	1.43Å	1.38Å
C16	C17	sing	1.53Å	1.50Å
C17	F18	sing	1.40Å	1.36Å
C13	H131	sing	1.08Å	1.08Å
C17	H172	sing	1.09Å	1.10Å
C17	H171	sing	1.09Å	1.10Å
C16	H161	sing	1.09Å	1.10Å
C16	H162	sing	1.09Å	1.10Å
C19	H191	sing	1.08Å	1.08Å
C12	H121	sing	1.08Å	1.08Å
C10	H101	sing	1.08Å	1.08Å
C10	H102	sing	1.08Å	1.08Å
O01	H011	sing	0.97Å	0.95Å
C04	H041	sing	1.09Å	1.10Å
C05	H051	sing	1.09Å	1.10Å
C05	H052	sing	1.09Å	1.10Å
O09	H1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O08	C07	O09	121.1°	120.0°
O08	C07	C06	121.6°	120.0°
O09	C07	C06	117.3°	120.0°
C07	O09	H1	109.5°	117.0°
C07	C06	C10	123.2°	120.0°
C07	C06	C05	116.1°	120.0°
C10	C06	C05	120.6°	120.0°
C06	C10	H101	120.0°	120.0°
C06	C10	H102	120.0°	119.9°
C06	C05	C04	105.4°	109.5°
C06	C05	H051	110.5°	109.5°
C06	C05	H052	110.5°	109.4°
C04	O03	B02	108.3°	108.8°
O03	C04	C05	112.6°	109.5°
O03	C04	C11	107.6°	109.3°
O03	C04	H041	109.5°	109.5°
O03	B02	O01	111.2°	126.5°
O03	B02	C20	104.3°	107.0°
O01	B02	C20	131.1°	126.5°
B02	O01	H011	109.5°	114.0°
C05	C04	C11	108.6°	109.6°
C05	C04	H041	109.4°	109.5°
C04	C05	H051	110.5°	109.5°
C04	C05	H052	110.5°	109.5°
C04	C11	C20	107.6°	107.9°
C04	C11	C12	130.7°	132.3°
C11	C04	H041	109.1°	109.5°
B02	C20	C11	110.2°	107.0°
B02	C20	C19	130.4°	132.9°
C20	C11	C12	121.7°	119.8°
C11	C20	C19	119.3°	120.2°
C11	C12	C13	118.4°	120.1°
C11	C12	H121	120.8°	119.9°
C20	C19	C14	119.8°	119.7°
C20	C19	H191	120.1°	120.2°
C12	C13	C14	120.2°	120.3°
C12	C13	H131	119.9°	119.8°
C13	C12	H121	120.8°	119.9°
C19	C14	C13	120.6°	119.9°
C19	C14	O15	119.8°	120.0°
C14	C19	H191	120.1°	120.2°
C13	C14	O15	119.6°	120.0°
C14	C13	H131	119.9°	119.8°
C14	O15	C16	114.3°	117.0°
O15	C16	C17	106.9°	109.5°
O15	C16	H161	110.1°	109.4°
O15	C16	H162	110.1°	109.5°
C16	C17	F18	104.1°	109.4°
C16	C17	H172	110.8°	109.5°
C16	C17	H171	110.8°	109.5°
C17	C16	H161	110.1°	109.4°
C17	C16	H162	110.1°	109.5°
F18	C17	H172	110.8°	109.5°
F18	C17	H171	110.8°	109.5°
H172	C17	H171	109.5°	109.5°
H161	C16	H162	109.4°	109.5°
H101	C10	H102	120.0°	120.0°
H051	C05	H052	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O08	C07	O09	C06	177.0°	179.9°
O08	C07	C06	C10	96.8°	0.1°
O08	C07	C06	C05	87.1°	180.0°
O08	C07	O09	H1	0.0°	0.1°
O09	C07	C06	C10	86.2°	180.0°
O09	C07	C06	C05	89.8°	0.1°
C07	C06	C10	C05	175.9°	179.9°
C07	C06	C05	C04	97.7°	85.1°
C07	C06	C10	H101	175.9°	0.0°
C07	C06	C10	H102	4.1°	180.0°
C07	C06	C05	H051	21.6°	154.9°
C07	C06	C05	H052	142.9°	34.9°
C06	C07	O09	H1	177.0°	180.0°
C10	C06	C05	C04	78.4°	95.0°
C06	C10	H101	H102	179.9°	180.0°
C10	C06	C05	H051	162.2°	25.0°
C10	C06	C05	H052	40.9°	145.0°
C06	C05	C04	O03	69.3°	66.5°
C06	C05	C04	H051	119.4°	120.0°
C06	C05	C04	H052	119.4°	120.0°
C06	C05	C04	C11	171.7°	173.6°
C05	C06	C10	H101	0.0°	180.0°
C05	C06	C10	H102	180.0°	0.0°
C06	C05	C04	H041	52.7°	53.6°
C06	C05	H051	H052	121.9°	120.0°
C04	O03	B02	O01	131.2°	179.7°
O03	C04	C05	C11	119.0°	119.9°
O03	C04	C05	H041	122.0°	120.0°
O03	C04	C11	H041	118.7°	119.9°
C04	O03	B02	C20	14.5°	0.3°
O03	C04	C11	C20	6.0°	0.2°
O03	C04	C11	C12	172.8°	179.3°
O03	C04	C05	H051	50.0°	173.5°
O03	C04	C05	H052	171.3°	53.5°
O03	B02	O01	C20	133.5°	180.0°
B02	O03	C04	C05	106.3°	120.0°
B02	O03	C04	C11	13.4°	0.1°
O03	B02	C20	C11	11.2°	0.4°
O03	B02	C20	C19	172.2°	180.0°
O03	B02	O01	H011	0.0°	0.0°
B02	O03	C04	H041	131.8°	120.0°
O01	B02	C20	C11	124.6°	179.6°
O01	B02	C20	C19	52.1°	0.0°
C05	C04	C11	H041	119.2°	120.1°
C05	C04	C11	C20	116.1°	120.2°
C05	C04	C11	C12	65.1°	60.7°
C04	C05	H051	H052	121.9°	120.1°
C04	C11	C20	B02	3.0°	0.4°
C04	C11	C20	C12	179.0°	179.3°
C04	C11	C20	C19	179.9°	179.9°
C04	C11	C12	C13	179.5°	179.5°
C04	C11	C12	H121	0.5°	0.5°
C11	C04	C05	H051	69.0°	53.6°
C11	C04	C05	H052	52.3°	66.4°
B02	C20	C11	C19	177.1°	179.7°
B02	C20	C11	C12	178.0°	179.6°
B02	C20	C19	C14	177.0°	180.0°
B02	C20	C19	H191	3.0°	0.0°
C20	B02	O01	H011	133.5°	180.0°
C20	C11	C12	C13	0.8°	0.5°
C11	C20	C19	C14	0.6°	0.5°
C11	C20	C19	H191	179.4°	179.5°
C20	C11	C12	H121	179.2°	179.5°
C20	C11	C04	H041	124.7°	119.7°
C12	C11	C20	C19	0.9°	0.7°
C11	C12	C13	H121	180.0°	180.0°
C11	C12	C13	C14	0.3°	0.0°
C11	C12	C13	H131	179.8°	179.7°
C12	C11	C04	H041	54.1°	59.4°
C20	C19	C14	H191	180.0°	180.0°
C20	C19	C14	C13	0.1°	0.0°
C20	C19	C14	O15	179.7°	180.0°
C12	C13	C14	C19	0.0°	0.3°
C12	C13	C14	H131	180.0°	179.7°
C12	C13	C14	O15	179.8°	179.7°
C19	C14	C13	O15	179.8°	180.0°
C19	C14	O15	C16	97.0°	180.0°
C19	C14	C13	H131	179.9°	179.9°
C13	C14	O15	C16	82.8°	0.0°
C13	C14	C19	H191	179.9°	180.0°
C14	C13	C12	H121	179.7°	180.0°
C14	O15	C16	C17	153.8°	180.0°
O15	C14	C13	H131	0.1°	0.0°
C14	O15	C16	H161	34.2°	60.0°
C14	O15	C16	H162	86.6°	60.0°
O15	C14	C19	H191	0.3°	0.0°
O15	C16	C17	H161	119.6°	119.9°
O15	C16	C17	H162	119.6°	120.0°
O15	C16	C17	F18	20.9°	65.0°
O15	C16	C17	H172	98.2°	175.0°
O15	C16	C17	H171	140.1°	54.9°
O15	C16	H161	H162	121.2°	120.0°
C16	C17	F18	H172	119.1°	120.0°
C16	C17	F18	H171	119.1°	120.0°
C16	C17	H172	H171	122.5°	120.1°
C17	C16	H161	H162	121.2°	120.0°
F18	C17	H172	H171	122.5°	120.0°
F18	C17	C16	H161	140.6°	175.1°
F18	C17	C16	H162	98.7°	55.0°
H131	C13	C12	H121	0.2°	0.3°
H172	C17	C16	H161	21.4°	55.1°
H172	C17	C16	H162	142.2°	65.0°
H171	C17	C16	H161	100.3°	65.0°
H171	C17	C16	H162	20.5°	175.0°
H041	C04	C05	H051	172.0°	66.4°
H041	C04	C05	H052	66.7°	173.5°

Release date:	2026-03-25
Definition date:	2025-03-26
Last modified:	2026-03-20
Release status:	REL
Processing site:	PDBC
Derived from:	9U4K