7ES

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C20	C19	doub	1.33Å	1.42Å	Aromatic
C20	S21	sing	1.76Å	1.64Å	Aromatic
F13	C12	sing	1.35Å	1.32Å
C19	C10	sing	1.39Å	1.56Å	Aromatic
S21	C09	sing	1.76Å	1.62Å	Aromatic
C10	C09	doub	1.37Å	1.44Å	Aromatic
C10	C11	sing	1.48Å	1.54Å
C12	C14	doub	1.38Å	1.38Å	Aromatic
C12	C11	sing	1.40Å	1.37Å	Aromatic
C09	C08	sing	1.48Å	1.57Å
C14	C15	sing	1.39Å	1.36Å	Aromatic
C11	C18	doub	1.39Å	1.39Å	Aromatic
C07	C08	doub	1.40Å	1.40Å	Aromatic
C07	C06	sing	1.38Å	1.43Å	Aromatic
C08	C04	sing	1.40Å	1.44Å	Aromatic
C06	C02	doub	1.39Å	1.40Å	Aromatic
C04	F05	sing	1.35Å	1.29Å
C04	C03	doub	1.38Å	1.39Å	Aromatic
C15	O16	sing	1.36Å	1.43Å
C15	C17	doub	1.39Å	1.41Å	Aromatic
C18	C17	sing	1.38Å	1.35Å	Aromatic
C02	C03	sing	1.39Å	1.44Å	Aromatic
C02	O01	sing	1.36Å	1.34Å
O01	H1	sing	0.97Å	0.95Å
C03	H2	sing	1.08Å	1.08Å
C06	H3	sing	1.08Å	1.08Å
C07	H4	sing	1.08Å	1.08Å
C14	H5	sing	1.08Å	1.08Å
O16	H6	sing	0.97Å	0.95Å
C17	H7	sing	1.08Å	1.08Å
C18	H8	sing	1.08Å	1.08Å
C19	H9	sing	1.08Å	1.08Å
C20	H10	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C19	C20	S21	109.2°	110.3°
C20	C19	C10	110.1°	115.1°
C20	C19	H9	124.9°	122.4°
C19	C20	H10	125.4°	124.9°
C20	S21	C09	102.0°	91.3°
S21	C20	H10	125.4°	124.8°
F13	C12	C14	119.3°	120.1°
F13	C12	C11	120.9°	120.1°
C19	C10	C09	109.6°	114.0°
C19	C10	C11	122.3°	123.0°
C10	C19	H9	124.9°	122.4°
S21	C09	C10	109.1°	109.3°
S21	C09	C08	122.4°	125.4°
C09	C10	C11	128.1°	123.0°
C10	C09	C08	128.6°	125.3°
C10	C11	C12	119.4°	120.1°
C10	C11	C18	120.1°	120.1°
C14	C12	C11	119.8°	119.8°
C12	C14	C15	119.6°	120.1°
C12	C14	H5	120.2°	119.9°
C12	C11	C18	120.5°	119.8°
C09	C08	C07	120.6°	120.1°
C09	C08	C04	118.9°	120.1°
C14	C15	O16	118.6°	119.9°
C14	C15	C17	121.0°	120.2°
C15	C14	H5	120.2°	120.0°
C11	C18	C17	119.8°	120.0°
C11	C18	H8	120.1°	120.0°
C08	C07	C06	119.1°	119.9°
C07	C08	C04	120.5°	119.8°
C08	C07	H4	120.4°	120.0°
C07	C06	C02	120.5°	120.1°
C07	C06	H3	119.7°	120.0°
C06	C07	H4	120.4°	120.0°
C08	C04	F05	120.0°	120.1°
C08	C04	C03	120.5°	119.8°
C06	C02	C03	120.2°	120.2°
C06	C02	O01	120.4°	119.9°
C02	C06	H3	119.8°	119.9°
F05	C04	C03	119.6°	120.1°
C04	C03	C02	119.2°	120.1°
C04	C03	H2	120.4°	119.9°
O16	C15	C17	120.4°	120.0°
C15	O16	H6	109.5°	114.0°
C15	C17	C18	119.3°	120.1°
C15	C17	H7	120.3°	119.9°
C18	C17	H7	120.4°	120.0°
C17	C18	H8	120.1°	120.0°
C03	C02	O01	119.4°	119.9°
C02	C03	H2	120.4°	120.0°
C02	O01	H1	109.5°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C19	C20	S21	H10	180.0°	179.7°
C20	C19	C10	H9	180.0°	179.9°
C19	C20	S21	C09	0.3°	0.4°
C20	C19	C10	C09	0.3°	0.1°
C20	C19	C10	C11	179.2°	180.0°
S21	C20	C19	C10	0.3°	0.3°
C20	S21	C09	C10	0.1°	0.3°
C20	S21	C09	C08	180.0°	180.0°
S21	C20	C19	H9	179.7°	179.8°
F13	C12	C11	C10	1.3°	0.0°
F13	C12	C14	C11	179.8°	179.9°
F13	C12	C14	C15	179.8°	180.0°
F13	C12	C11	C18	179.6°	179.7°
F13	C12	C14	H5	0.2°	0.1°
C19	C10	C09	S21	0.1°	0.2°
C19	C10	C09	C11	178.9°	179.9°
C19	C10	C11	C12	42.5°	113.6°
C19	C10	C09	C08	179.9°	179.9°
C19	C10	C11	C18	135.7°	66.1°
C10	C19	C20	H10	179.7°	180.0°
S21	C09	C10	C08	179.9°	179.7°
S21	C09	C10	C11	179.0°	179.7°
S21	C09	C08	C07	123.9°	132.2°
S21	C09	C08	C04	54.7°	47.0°
C09	S21	C20	H10	179.8°	180.0°
C09	C10	C11	C12	138.7°	66.3°
C09	C10	C11	C18	43.0°	113.9°
C10	C09	C08	C07	56.1°	48.1°
C10	C09	C08	C04	125.2°	132.7°
C09	C10	C19	H9	179.7°	180.0°
C10	C11	C12	C14	178.9°	180.0°
C10	C11	C12	C18	178.3°	179.7°
C11	C10	C09	C08	1.0°	0.0°
C10	C11	C18	C17	179.0°	179.7°
C10	C11	C18	H8	1.0°	0.0°
C11	C10	C19	H9	0.8°	0.1°
C12	C14	C15	H5	180.0°	179.9°
C14	C12	C11	C18	0.7°	0.2°
C12	C14	C15	O16	179.9°	179.9°
C12	C14	C15	C17	0.2°	0.0°
C11	C12	C14	C15	0.4°	0.1°
C12	C11	C18	C17	0.8°	0.5°
C11	C12	C14	H5	179.6°	180.0°
C12	C11	C18	H8	179.3°	179.7°
C09	C08	C07	C04	178.7°	179.2°
C09	C08	C07	C06	179.3°	180.0°
C09	C08	C04	F05	0.9°	0.3°
C09	C08	C04	C03	179.4°	179.7°
C09	C08	C07	H4	0.7°	0.8°
C14	C15	O16	C17	179.7°	180.0°
C14	C15	C17	C18	0.3°	0.3°
C14	C15	O16	H6	180.0°	90.1°
C14	C15	C17	H7	179.7°	180.0°
C11	C18	C17	C15	0.5°	0.5°
C11	C18	C17	H8	180.0°	179.8°
C11	C18	C17	H7	179.4°	179.8°
C08	C07	C06	H4	180.0°	179.3°
C08	C07	C06	C02	0.2°	0.5°
C07	C08	C04	F05	179.6°	179.5°
C07	C08	C04	C03	0.7°	0.5°
C08	C07	C06	H3	179.8°	179.5°
C06	C07	C08	C04	0.6°	0.8°
C07	C06	C02	H3	180.0°	180.0°
C07	C06	C02	C03	0.1°	0.0°
C07	C06	C02	O01	179.9°	179.7°
C08	C04	F05	C03	179.7°	180.0°
C08	C04	C03	C02	0.4°	0.0°
C08	C04	C03	H2	179.6°	180.0°
C04	C08	C07	H4	179.4°	180.0°
C06	C02	C03	C04	0.0°	0.2°
C06	C02	C03	O01	180.0°	179.8°
C06	C02	O01	H1	180.0°	90.3°
C06	C02	C03	H2	180.0°	179.7°
C02	C06	C07	H4	179.7°	179.8°
F05	C04	C03	C02	179.9°	180.0°
F05	C04	C03	H2	0.1°	0.0°
C04	C03	C02	H2	180.0°	179.9°
C04	C03	C02	O01	180.0°	180.0°
O16	C15	C17	C18	180.0°	179.8°
O16	C15	C14	H5	0.1°	0.0°
O16	C15	C17	H7	0.0°	0.1°
C15	C17	C18	H7	180.0°	179.7°
C17	C15	C14	H5	179.8°	180.0°
C17	C15	O16	H6	0.3°	89.9°
C15	C17	C18	H8	179.5°	179.7°
C03	C02	O01	H1	0.0°	89.9°
C03	C02	C06	H3	179.9°	179.9°
O01	C02	C03	H2	0.0°	0.0°
O01	C02	C06	H3	0.1°	0.3°
H3	C06	C07	H4	0.3°	0.2°
H7	C17	C18	H8	0.5°	0.0°
H9	C19	C20	H10	0.3°	0.1°

Release date:	2017-01-18
Definition date:	2016-10-15
Last modified:	2017-01-13
Release status:	REL
Processing site:	RCSB
Derived from:	5TLV