7ER

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F01	C01	sing	1.35Å	0.90Å
C01	C02	doub	1.38Å	1.35Å	Aromatic
C01	C06	sing	1.40Å	1.39Å	Aromatic
C02	C03	sing	1.39Å	1.35Å	Aromatic
C03	O01	sing	1.36Å	1.31Å
C03	C04	doub	1.39Å	1.36Å	Aromatic
C04	C05	sing	1.38Å	1.37Å	Aromatic
C05	C06	doub	1.39Å	1.36Å	Aromatic
C06	C07	sing	1.48Å	1.34Å
C07	C08	doub	1.34Å	1.31Å
C07	C10	sing	1.46Å	1.32Å
C08	S01	sing	1.78Å	1.54Å
S01	O02	doub	1.42Å	1.51Å
S01	O03	doub	1.42Å	1.51Å
S01	C09	sing	1.78Å	1.44Å
C09	C10	doub	1.34Å	1.31Å
C10	C11	sing	1.48Å	1.30Å
C11	C12	doub	1.40Å	1.38Å	Aromatic
C11	C16	sing	1.39Å	1.38Å	Aromatic
C12	C13	sing	1.38Å	1.38Å	Aromatic
C13	C14	doub	1.39Å	1.40Å	Aromatic
C14	O04	sing	1.36Å	1.35Å
C14	C15	sing	1.39Å	1.37Å	Aromatic
C15	C16	doub	1.38Å	1.37Å	Aromatic
C12	F02	sing	1.35Å	0.74Å
C02	H1	sing	1.08Å	1.08Å
O01	H2	sing	0.97Å	0.95Å
C04	H3	sing	1.08Å	1.08Å
C05	H4	sing	1.08Å	1.08Å
C08	H5	sing	1.08Å	1.08Å
C09	H9	sing	1.08Å	1.08Å
C13	H11	sing	1.08Å	1.08Å
O04	H12	sing	0.97Å	0.95Å
C15	H13	sing	1.08Å	1.08Å
C16	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F01	C01	C02	115.2°	120.1°
F01	C01	C06	122.8°	120.1°
C02	C01	C06	122.0°	119.8°
C01	C02	C03	119.0°	120.1°
C01	C02	H1	120.5°	120.0°
C01	C06	C05	117.6°	119.9°
C01	C06	C07	124.0°	120.1°
C02	C03	O01	118.9°	119.9°
C02	C03	C04	120.4°	120.2°
C03	C02	H1	120.5°	120.0°
O01	C03	C04	120.7°	119.9°
C03	O01	H2	109.5°	114.1°
C03	C04	C05	120.9°	120.1°
C03	C04	H3	119.6°	119.9°
C04	C05	C06	120.0°	120.0°
C05	C04	H3	119.6°	120.0°
C04	C05	H4	120.0°	120.0°
C05	C06	C07	118.1°	120.0°
C06	C05	H4	120.0°	120.1°
C06	C07	C08	118.3°	121.2°
C06	C07	C10	132.1°	121.2°
C08	C07	C10	109.6°	117.6°
C07	C08	S01	106.0°	103.0°
C07	C08	H5	127.0°	128.5°
C07	C10	C09	115.6°	117.6°
C07	C10	C11	130.9°	121.2°
C08	S01	O02	113.9°	107.7°
C08	S01	O03	111.1°	107.8°
C08	S01	C09	102.7°	98.8°
S01	C08	H5	127.0°	128.5°
O02	S01	O03	105.4°	124.2°
O02	S01	C09	107.2°	107.7°
O03	S01	C09	116.8°	107.8°
S01	C09	C10	106.0°	103.0°
S01	C09	H9	127.0°	128.5°
C09	C10	C11	113.3°	121.2°
C10	C09	H9	127.0°	128.5°
C10	C11	C12	130.4°	120.1°
C10	C11	C16	108.8°	120.1°
C12	C11	C16	120.8°	119.8°
C11	C12	C13	118.5°	119.9°
C11	C12	F02	122.6°	120.0°
C11	C16	C15	121.3°	120.0°
C11	C16	H14	119.3°	120.0°
C12	C13	C14	120.1°	120.0°
C13	C12	F02	118.9°	120.0°
C12	C13	H11	119.9°	120.0°
C13	C14	O04	122.8°	120.0°
C13	C14	C15	120.9°	120.2°
C14	C13	H11	119.9°	120.0°
O04	C14	C15	116.3°	119.9°
C14	O04	H12	109.5°	114.0°
C14	C15	C16	118.4°	120.1°
C14	C15	H13	120.8°	120.0°
C16	C15	H13	120.8°	120.0°
C15	C16	H14	119.3°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F01	C01	C02	C06	178.6°	179.7°
F01	C01	C02	C03	180.0°	180.0°
F01	C01	C06	C05	178.8°	179.8°
F01	C01	C06	C07	5.0°	0.0°
F01	C01	C02	H1	0.0°	0.1°
C01	C02	C03	H1	180.0°	179.9°
C01	C02	C03	O01	179.9°	180.0°
C01	C02	C03	C04	0.5°	0.0°
C02	C01	C06	C05	2.7°	0.5°
C02	C01	C06	C07	176.5°	179.7°
C06	C01	C02	C03	1.4°	0.3°
C01	C06	C05	C04	3.0°	0.5°
C01	C06	C05	C07	174.2°	179.8°
C01	C06	C07	C08	38.1°	75.0°
C01	C06	C07	C10	144.1°	104.8°
C06	C01	C02	H1	178.6°	179.8°
C01	C06	C05	H4	177.0°	179.8°
C02	C03	O01	C04	179.4°	179.9°
C02	C03	C04	C05	0.9°	0.1°
C02	C03	O01	H2	180.0°	89.9°
C02	C03	C04	H3	179.1°	179.9°
O01	C03	C04	C05	179.8°	180.0°
O01	C03	C02	H1	0.1°	0.1°
O01	C03	C04	H3	0.2°	0.0°
C03	C04	C05	H3	180.0°	180.0°
C03	C04	C05	C06	2.2°	0.3°
C04	C03	C02	H1	179.5°	180.0°
C04	C03	O01	H2	0.6°	90.0°
C03	C04	C05	H4	177.8°	180.0°
C04	C05	C06	H4	180.0°	179.7°
C04	C05	C06	C07	177.1°	179.7°
C05	C06	C07	C08	135.6°	105.2°
C05	C06	C07	C10	42.1°	75.0°
C06	C05	C04	H3	177.8°	179.7°
C06	C07	C08	C10	178.2°	179.7°
C06	C07	C08	S01	178.4°	180.0°
C06	C07	C10	C09	176.1°	179.7°
C06	C07	C10	C11	2.2°	0.0°
C07	C06	C05	H4	2.9°	0.0°
C06	C07	C08	H5	1.6°	0.0°
C07	C08	S01	H5	180.0°	180.0°
C07	C08	S01	O02	113.8°	111.9°
C07	C08	S01	O03	127.4°	111.9°
C07	C08	S01	C09	1.8°	0.1°
C08	C07	C10	C09	1.7°	0.5°
C08	C07	C10	C11	175.7°	179.8°
C10	C07	C08	S01	0.2°	0.2°
C07	C10	C09	S01	2.9°	0.5°
C07	C10	C09	C11	175.0°	179.7°
C07	C10	C11	C12	49.3°	105.0°
C07	C10	C11	C16	131.1°	75.3°
C10	C07	C08	H5	179.8°	179.7°
C07	C10	C09	H9	177.1°	179.8°
C08	S01	O02	O03	122.0°	127.2°
C08	S01	O02	C09	112.9°	105.6°
C08	S01	O03	C09	117.4°	105.7°
C08	S01	C09	C10	2.7°	0.3°
C08	S01	C09	H9	177.3°	180.0°
O02	S01	O03	C09	118.9°	127.2°
O02	S01	C09	C10	117.6°	112.1°
O02	S01	C08	H5	66.2°	68.2°
O02	S01	C09	H9	62.4°	68.2°
O03	S01	C09	C10	124.5°	111.6°
O03	S01	C08	H5	52.6°	68.1°
O03	S01	C09	H9	55.5°	68.1°
S01	C09	C10	H9	180.0°	179.7°
S01	C09	C10	C11	177.9°	179.8°
C09	S01	C08	H5	178.2°	180.0°
C09	C10	C11	C12	136.6°	74.7°
C09	C10	C11	C16	42.9°	105.0°
C10	C11	C12	C16	179.5°	179.7°
C10	C11	C12	C13	179.9°	180.0°
C10	C11	C16	C15	179.3°	179.7°
C10	C11	C12	F02	0.1°	0.0°
C11	C10	C09	H9	2.1°	0.1°
C10	C11	C16	H14	0.7°	0.0°
C11	C12	C13	F02	179.9°	180.0°
C11	C12	C13	C14	0.6°	0.0°
C12	C11	C16	C15	1.1°	0.6°
C11	C12	C13	H11	179.4°	180.0°
C12	C11	C16	H14	178.9°	179.8°
C16	C11	C12	C13	0.6°	0.3°
C11	C16	C15	C14	0.5°	0.6°
C11	C16	C15	H14	180.0°	179.7°
C16	C11	C12	F02	179.4°	179.7°
C11	C16	C15	H13	179.5°	179.7°
C12	C13	C14	H11	180.0°	179.9°
C12	C13	C14	O04	179.9°	180.0°
C12	C13	C14	C15	1.2°	0.0°
C13	C14	O04	C15	178.9°	180.0°
C13	C14	C15	C16	0.7°	0.3°
C14	C13	C12	F02	179.5°	180.0°
C13	C14	O04	H12	180.0°	90.0°
C13	C14	C15	H13	179.4°	180.0°
O04	C14	C15	C16	179.6°	179.7°
O04	C14	C13	H11	0.1°	0.0°
O04	C14	C15	H13	0.4°	0.0°
C14	C15	C16	H13	180.0°	179.7°
C15	C14	C13	H11	178.8°	180.0°
C15	C14	O04	H12	1.1°	90.0°
C14	C15	C16	H14	179.5°	179.8°
F02	C12	C13	H11	0.5°	0.0°
H3	C04	C05	H4	2.2°	0.0°
H13	C15	C16	H14	0.5°	0.0°

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