5G2

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O01	C09	sing	1.36Å	1.34Å
C09	C10	doub	1.39Å	1.33Å	Aromatic
C09	C08	sing	1.39Å	1.31Å	Aromatic
C10	C11	sing	1.38Å	1.33Å	Aromatic
C08	C07	doub	1.38Å	1.32Å	Aromatic
C11	C05	doub	1.39Å	1.33Å	Aromatic
C07	C05	sing	1.40Å	1.34Å	Aromatic
C07	CL1	sing	1.74Å	1.70Å
C05	C02	sing	1.48Å	1.34Å
C02	C01	doub	1.34Å	1.33Å
C02	C03	sing	1.46Å	1.34Å
O02	C14	sing	1.36Å	1.35Å
C14	C13	doub	1.39Å	1.33Å	Aromatic
C14	C15	sing	1.39Å	1.33Å	Aromatic
C13	C12	sing	1.38Å	1.33Å	Aromatic
C15	C16	doub	1.38Å	1.33Å	Aromatic
C01	S01	sing	1.78Å	1.77Å
C12	CL2	sing	1.74Å	1.69Å
C12	C06	doub	1.39Å	1.33Å	Aromatic
C16	C06	sing	1.39Å	1.34Å	Aromatic
C06	C03	sing	1.48Å	1.34Å
C03	C04	doub	1.34Å	1.33Å
C04	S01	sing	1.78Å	1.77Å
O03	S01	doub	1.42Å	1.41Å
S01	O04	doub	1.42Å	1.40Å
C01	H1	sing	1.08Å	1.08Å
O01	H2	sing	0.97Å	0.95Å
C04	H3	sing	1.08Å	1.08Å
C08	H4	sing	1.08Å	1.08Å
O02	H5	sing	0.97Å	0.95Å
C10	H6	sing	1.08Å	1.08Å
C11	H7	sing	1.08Å	1.08Å
C13	H8	sing	1.08Å	1.08Å
C15	H9	sing	1.08Å	1.08Å
C16	H10	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O01	C09	C10	122.3°	119.9°
O01	C09	C08	121.3°	119.9°
C09	O01	H2	109.5°	114.0°
C10	C09	C08	116.3°	120.2°
C09	C10	C11	121.5°	120.1°
C09	C10	H6	119.2°	120.0°
C09	C08	C07	122.4°	120.0°
C09	C08	H4	118.8°	120.0°
C10	C11	C05	122.8°	119.9°
C11	C10	H6	119.3°	119.9°
C10	C11	H7	118.6°	120.0°
C08	C07	C05	122.3°	119.9°
C08	C07	CL1	110.3°	120.0°
C07	C08	H4	118.8°	120.0°
C11	C05	C07	114.6°	119.9°
C11	C05	C02	117.3°	120.1°
C05	C11	H7	118.6°	120.0°
C05	C07	CL1	127.4°	120.1°
C07	C05	C02	128.1°	120.0°
C05	C02	C01	118.3°	121.2°
C05	C02	C03	129.6°	121.2°
C01	C02	C03	109.6°	117.6°
C02	C01	S01	119.7°	103.0°
C02	C01	H1	120.1°	128.6°
C02	C03	C06	128.8°	121.2°
C02	C03	C04	111.1°	117.6°
O02	C14	C13	121.7°	119.9°
O02	C14	C15	122.8°	119.9°
C14	O02	H5	109.5°	114.0°
C13	C14	C15	115.5°	120.2°
C14	C13	C12	122.3°	120.0°
C14	C13	H8	118.8°	119.9°
C14	C15	C16	121.8°	120.1°
C14	C15	H9	119.1°	120.0°
C13	C12	CL2	113.4°	120.0°
C13	C12	C06	123.1°	119.9°
C12	C13	H8	118.8°	120.0°
C15	C16	C06	122.9°	119.9°
C16	C15	H9	119.1°	119.9°
C15	C16	H10	118.5°	120.0°
C01	S01	C04	79.5°	98.8°
C01	S01	O03	110.1°	107.7°
C01	S01	O04	110.6°	107.7°
S01	C01	H1	120.1°	128.5°
CL2	C12	C06	123.5°	120.1°
C12	C06	C16	114.4°	119.9°
C12	C06	C03	126.1°	120.1°
C16	C06	C03	119.4°	120.1°
C06	C16	H10	118.6°	120.0°
C06	C03	C04	120.1°	121.2°
C03	C04	S01	118.7°	103.0°
C03	C04	H3	120.7°	128.5°
C04	S01	O03	115.3°	107.9°
C04	S01	O04	109.7°	107.5°
S01	C04	H3	120.7°	128.5°
O03	S01	O04	123.2°	124.2°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O01	C09	C10	C08	179.9°	180.0°
O01	C09	C10	C11	179.7°	179.7°
O01	C09	C08	C07	179.5°	180.0°
O01	C09	C08	H4	0.4°	0.1°
O01	C09	C10	H6	0.3°	0.0°
C09	C10	C11	H6	180.0°	179.7°
C10	C09	C08	C07	0.4°	0.1°
C09	C10	C11	C05	0.0°	0.6°
C10	C09	O01	H2	180.0°	90.0°
C10	C09	C08	H4	179.6°	179.9°
C09	C10	C11	H7	180.0°	180.0°
C08	C09	C10	C11	0.2°	0.3°
C09	C08	C07	H4	180.0°	179.9°
C09	C08	C07	C05	0.3°	0.1°
C09	C08	C07	CL1	179.9°	179.9°
C08	C09	O01	H2	0.1°	90.1°
C08	C09	C10	H6	179.8°	180.0°
C10	C11	C05	H7	180.0°	179.4°
C10	C11	C05	C07	0.1°	0.6°
C10	C11	C05	C02	180.0°	179.7°
C08	C07	C05	C11	0.0°	0.2°
C08	C07	C05	CL1	179.8°	180.0°
C08	C07	C05	C02	179.8°	179.9°
C11	C05	C07	C02	179.8°	179.7°
C11	C05	C07	CL1	179.8°	179.8°
C11	C05	C02	C01	133.0°	104.7°
C11	C05	C02	C03	27.2°	75.3°
C05	C11	C10	H6	180.0°	179.7°
C07	C05	C02	C01	46.9°	75.0°
C07	C05	C02	C03	152.9°	105.0°
C05	C07	C08	H4	179.7°	180.0°
C07	C05	C11	H7	179.9°	180.0°
CL1	C07	C05	C02	0.0°	0.1°
CL1	C07	C08	H4	0.1°	0.1°
C05	C02	C01	C03	163.9°	179.9°
C05	C02	C01	S01	171.1°	180.0°
C05	C02	C03	C06	20.6°	0.1°
C05	C02	C03	C04	160.0°	180.0°
C05	C02	C01	H1	8.9°	0.2°
C02	C05	C11	H7	0.0°	0.3°
C02	C01	S01	H1	180.0°	179.8°
C01	C02	C03	C06	177.9°	180.0°
C01	C02	C03	C04	1.6°	0.0°
C02	C01	S01	C04	9.9°	0.0°
C02	C01	S01	O03	123.1°	112.1°
C02	C01	S01	O04	97.3°	111.7°
C03	C02	C01	S01	7.2°	0.0°
C02	C03	C06	C12	47.8°	105.0°
C02	C03	C06	C16	132.3°	75.3°
C02	C03	C06	C04	179.4°	180.0°
C02	C03	C04	S01	9.7°	0.0°
C03	C02	C01	H1	172.8°	179.7°
C02	C03	C04	H3	170.3°	179.9°
O02	C14	C13	C15	179.9°	180.0°
O02	C14	C13	C12	179.8°	180.0°
O02	C14	C15	C16	179.8°	179.7°
O02	C14	C13	H8	0.2°	0.0°
O02	C14	C15	H9	0.2°	0.0°
C14	C13	C12	H8	180.0°	180.0°
C13	C14	C15	C16	0.3°	0.3°
C14	C13	C12	CL2	179.5°	180.0°
C14	C13	C12	C06	0.1°	0.0°
C13	C14	O02	H5	180.0°	90.0°
C13	C14	C15	H9	179.7°	180.0°
C15	C14	C13	C12	0.3°	0.0°
C14	C15	C16	H9	180.0°	179.7°
C14	C15	C16	C06	0.2°	0.6°
C15	C14	O02	H5	0.1°	90.0°
C15	C14	C13	H8	179.7°	180.0°
C14	C15	C16	H10	179.9°	180.0°
C13	C12	CL2	C06	179.6°	180.0°
C13	C12	C06	C16	0.1°	0.3°
C13	C12	C06	C03	179.8°	180.0°
C15	C16	C06	C12	0.0°	0.6°
C15	C16	C06	H10	180.0°	179.4°
C15	C16	C06	C03	179.8°	179.7°
C01	S01	C04	C03	10.7°	0.0°
C01	S01	C04	O03	107.4°	111.9°
C01	S01	C04	O04	108.3°	111.8°
C01	S01	O03	O04	133.5°	127.2°
C01	S01	C04	H3	169.3°	179.9°
CL2	C12	C06	C16	179.6°	179.7°
CL2	C12	C06	C03	0.3°	0.0°
CL2	C12	C13	H8	0.6°	0.0°
C12	C06	C16	C03	179.9°	179.7°
C12	C06	C03	C04	131.6°	75.0°
C06	C12	C13	H8	179.9°	180.0°
C12	C06	C16	H10	180.0°	179.9°
C16	C06	C03	C04	48.3°	104.7°
C06	C16	C15	H9	179.9°	179.7°
C06	C03	C04	S01	169.8°	180.0°
C06	C03	C04	H3	10.2°	0.0°
C03	C06	C16	H10	0.2°	0.3°
C03	C04	S01	H3	180.0°	180.0°
C03	C04	S01	O03	118.1°	111.9°
C03	C04	S01	O04	97.6°	111.8°
C04	S01	O03	O04	138.9°	127.1°
C04	S01	C01	H1	170.1°	179.8°
O03	S01	C01	H1	56.9°	68.1°
O03	S01	C04	H3	61.9°	68.0°
O04	S01	C01	H1	82.7°	68.1°
O04	S01	C04	H3	82.4°	68.2°
H6	C10	C11	H7	0.0°	0.3°
H9	C15	C16	H10	0.1°	0.3°

Release date:	2016-05-04
Definition date:	2015-09-22
Last modified:	2016-04-29
Release status:	REL
Processing site:	RCSB
Derived from:	5DU5