4YZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL11	C10	sing	1.74Å	1.73Å
C09	C10	doub	1.38Å	1.40Å	Aromatic
C09	C08	sing	1.38Å	1.41Å	Aromatic
C10	C12	sing	1.38Å	1.40Å	Aromatic
C08	C07	doub	1.39Å	1.41Å	Aromatic
C12	C13	doub	1.38Å	1.39Å	Aromatic
O01	C02	doub	1.21Å	1.38Å
C07	C13	sing	1.39Å	1.40Å	Aromatic
C07	S06	sing	1.76Å	1.77Å
C02	O03	sing	1.34Å	1.25Å
C02	C04	sing	1.51Å	1.50Å
C05	C04	sing	1.53Å	1.52Å
C05	S06	sing	1.81Å	1.81Å
C13	H1	sing	1.08Å	1.08Å
O03	H2	sing	0.97Å	0.95Å
C04	H3	sing	1.09Å	1.10Å
C04	H4	sing	1.09Å	1.10Å
C05	H5	sing	1.09Å	1.10Å
C05	H6	sing	1.09Å	1.10Å
C08	H7	sing	1.08Å	1.08Å
C09	H8	sing	1.08Å	1.08Å
C12	H9	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL11	C10	C09	122.3°	119.9°
CL11	C10	C12	119.5°	119.9°
C10	C09	C08	119.8°	120.1°
C09	C10	C12	118.2°	120.2°
C10	C09	H8	120.1°	120.0°
C09	C08	C07	122.0°	119.9°
C09	C08	H7	119.0°	120.1°
C08	C09	H8	120.1°	119.9°
C10	C12	C13	121.5°	120.0°
C10	C12	H9	119.3°	120.0°
C08	C07	C13	117.0°	119.8°
C08	C07	S06	121.3°	120.1°
C07	C08	H7	119.0°	119.9°
C12	C13	C07	121.6°	120.0°
C12	C13	H1	119.2°	120.0°
C13	C12	H9	119.2°	120.0°
O01	C02	O03	116.8°	120.0°
O01	C02	C04	119.8°	120.0°
C13	C07	S06	121.8°	120.1°
C07	C13	H1	119.2°	120.0°
C07	S06	C05	106.2°	103.0°
O03	C02	C04	122.7°	120.0°
C02	O03	H2	109.5°	117.0°
C02	C04	C05	109.3°	109.5°
C02	C04	H3	109.5°	109.5°
C02	C04	H4	109.5°	109.5°
C04	C05	S06	112.7°	109.5°
C05	C04	H3	109.5°	109.5°
C05	C04	H4	109.5°	109.4°
C04	C05	H5	108.7°	109.5°
C04	C05	H6	108.6°	109.4°
S06	C05	H5	108.6°	109.5°
S06	C05	H6	108.7°	109.5°
H3	C04	H4	109.4°	109.4°
H5	C05	H6	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL11	C10	C09	C12	179.0°	179.7°
CL11	C10	C09	C08	179.1°	179.8°
CL11	C10	C12	C13	179.3°	179.8°
CL11	C10	C09	H8	0.9°	0.3°
CL11	C10	C12	H9	0.7°	0.3°
C10	C09	C08	H8	180.0°	180.0°
C10	C09	C08	C07	0.1°	0.0°
C09	C10	C12	C13	0.3°	0.0°
C10	C09	C08	H7	179.9°	180.0°
C09	C10	C12	H9	179.7°	180.0°
C08	C09	C10	C12	0.1°	0.0°
C09	C08	C07	H7	180.0°	180.0°
C09	C08	C07	C13	0.2°	0.0°
C09	C08	C07	S06	179.5°	180.0°
C10	C12	C13	H9	180.0°	180.0°
C10	C12	C13	C07	0.4°	0.0°
C10	C12	C13	H1	179.6°	180.0°
C12	C10	C09	H8	179.9°	180.0°
C08	C07	C13	C12	0.3°	0.0°
C08	C07	C13	S06	179.7°	179.9°
C08	C07	S06	C05	20.3°	0.0°
C08	C07	C13	H1	179.6°	180.0°
C07	C08	C09	H8	179.9°	180.0°
C12	C13	C07	H1	180.0°	180.0°
C12	C13	C07	S06	179.4°	180.0°
O01	C02	O03	C04	170.9°	179.9°
O01	C02	C04	C05	14.9°	0.1°
O01	C02	O03	H2	0.0°	0.0°
O01	C02	C04	H3	134.9°	120.0°
O01	C02	C04	H4	105.1°	120.1°
C13	C07	S06	C05	160.1°	180.0°
C13	C07	C08	H7	179.8°	180.0°
C07	C13	C12	H9	179.6°	180.0°
C07	S06	C05	C04	169.8°	180.0°
S06	C07	C13	H1	0.7°	0.0°
C07	S06	C05	H5	69.7°	60.0°
C07	S06	C05	H6	49.3°	60.0°
S06	C07	C08	H7	0.5°	0.1°
O03	C02	C04	C05	155.7°	180.0°
O03	C02	C04	H3	35.7°	59.9°
O03	C02	C04	H4	84.3°	60.0°
C02	C04	C05	H3	120.0°	120.1°
C02	C04	C05	H4	120.0°	120.0°
C02	C04	C05	S06	171.0°	180.0°
C04	C02	O03	H2	170.8°	180.0°
C02	C04	H3	H4	120.1°	120.0°
C02	C04	C05	H5	68.6°	60.0°
C02	C04	C05	H6	50.5°	60.0°
C04	C05	S06	H5	120.5°	120.0°
C04	C05	S06	H6	120.5°	120.0°
C05	C04	H3	H4	120.1°	119.9°
C04	C05	H5	H6	118.5°	120.0°
S06	C05	C04	H3	51.0°	59.9°
S06	C05	C04	H4	69.1°	60.0°
S06	C05	H5	H6	118.5°	120.0°
H1	C13	C12	H9	0.4°	0.0°
H3	C04	C05	H5	171.5°	180.0°
H3	C04	C05	H6	69.5°	60.0°
H4	C04	C05	H5	51.4°	60.0°
H4	C04	C05	H6	170.4°	180.0°
H7	C08	C09	H8	0.1°	0.0°

Release date:	2016-07-27
Definition date:	2015-06-29
Last modified:	2016-07-22
Release status:	REL
Processing site:	RCSB
Derived from:	5C9R