H7G

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O01	C02	doub	1.21Å	1.26Å
O03	C02	sing	1.34Å	1.27Å
C02	C04	sing	1.51Å	1.54Å
C04	C05	sing	1.51Å	1.53Å
C06	C05	doub	1.38Å	1.38Å	Aromatic
C06	C07	sing	1.38Å	1.39Å	Aromatic
C05	C22	sing	1.38Å	1.39Å	Aromatic
C07	C08	doub	1.38Å	1.39Å	Aromatic
C22	C09	doub	1.39Å	1.39Å	Aromatic
C08	C09	sing	1.39Å	1.39Å	Aromatic
C09	N10	sing	1.40Å	1.46Å
N10	S11	sing	1.66Å	1.71Å
O13	S11	doub	1.42Å	1.46Å
S11	C14	sing	1.76Å	1.82Å
S11	O12	doub	1.42Å	1.46Å
C15	C14	doub	1.38Å	1.38Å	Aromatic
C15	C16	sing	1.38Å	1.39Å	Aromatic
C14	C20	sing	1.39Å	1.39Å	Aromatic
C16	C17	doub	1.38Å	1.39Å	Aromatic
C20	O21	sing	1.36Å	1.41Å
C20	C18	doub	1.39Å	1.39Å	Aromatic
C17	C18	sing	1.38Å	1.39Å	Aromatic
C18	CL1	sing	1.74Å	1.79Å
C15	H1	sing	1.08Å	1.08Å
C17	H2	sing	1.08Å	1.08Å
C22	H3	sing	1.08Å	1.08Å
C04	H4	sing	1.09Å	1.10Å
C04	H5	sing	1.09Å	1.10Å
C06	H6	sing	1.08Å	1.08Å
C07	H7	sing	1.08Å	1.08Å
C08	H8	sing	1.08Å	1.08Å
C16	H9	sing	1.08Å	1.08Å
N10	H10	sing	0.97Å	1.00Å
O03	H11	sing	0.97Å	0.95Å
O21	H12	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O01	C02	O03	118.5°	120.0°
O01	C02	C04	118.6°	120.0°
O03	C02	C04	123.0°	120.0°
C02	O03	H11	109.5°	117.1°
C02	C04	C05	116.3°	109.5°
C02	C04	H4	107.7°	109.5°
C02	C04	H5	107.7°	109.5°
C04	C05	C06	120.7°	120.0°
C04	C05	C22	119.4°	119.9°
C05	C04	H4	107.7°	109.5°
C05	C04	H5	107.7°	109.4°
C05	C06	C07	120.4°	120.2°
C06	C05	C22	119.8°	120.1°
C05	C06	H6	119.8°	119.9°
C06	C07	C08	119.7°	120.1°
C07	C06	H6	119.8°	119.9°
C06	C07	H7	120.1°	119.9°
C05	C22	C09	120.0°	119.9°
C05	C22	H3	120.0°	120.0°
C07	C08	C09	119.7°	120.0°
C08	C07	H7	120.2°	120.0°
C07	C08	H8	120.1°	120.1°
C22	C09	C08	120.3°	119.8°
C22	C09	N10	119.3°	120.0°
C09	C22	H3	120.0°	120.1°
C08	C09	N10	120.4°	120.1°
C09	C08	H8	120.2°	120.0°
C09	N10	S11	118.1°	119.9°
C09	N10	H10	107.3°	120.0°
N10	S11	O13	108.9°	106.4°
N10	S11	C14	109.1°	107.2°
N10	S11	O12	110.7°	106.4°
S11	N10	H10	107.3°	120.0°
O13	S11	C14	113.9°	106.4°
O13	S11	O12	105.7°	123.2°
C14	S11	O12	108.5°	106.4°
S11	C14	C15	121.5°	120.0°
S11	C14	C20	118.6°	120.0°
C14	C15	C16	119.8°	120.1°
C15	C14	C20	119.9°	119.9°
C14	C15	H1	120.1°	120.0°
C15	C16	C17	120.8°	120.1°
C16	C15	H1	120.1°	119.9°
C15	C16	H9	119.6°	119.9°
C14	C20	O21	120.0°	120.0°
C14	C20	C18	120.2°	119.9°
C16	C17	C18	119.0°	120.0°
C16	C17	H2	120.5°	120.0°
C17	C16	H9	119.6°	120.0°
O21	C20	C18	119.8°	120.0°
C20	O21	H12	109.5°	114.0°
C20	C18	C17	120.3°	119.9°
C20	C18	CL1	119.3°	120.0°
C17	C18	CL1	120.4°	120.0°
C18	C17	H2	120.5°	120.0°
H4	C04	H5	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O01	C02	O03	C04	180.0°	179.9°
O01	C02	C04	C05	174.0°	0.1°
O01	C02	C04	H4	65.0°	119.9°
O01	C02	C04	H5	53.0°	120.0°
O01	C02	O03	H11	0.0°	0.1°
O03	C02	C04	C05	6.1°	180.0°
O03	C02	C04	H4	114.9°	60.0°
O03	C02	C04	H5	127.0°	60.1°
C02	C04	C05	H4	121.0°	120.0°
C02	C04	C05	H5	121.0°	120.0°
C02	C04	C05	C06	64.3°	90.0°
C02	C04	C05	C22	116.6°	90.0°
C02	C04	H4	H5	116.9°	120.0°
C04	C02	O03	H11	180.0°	180.0°
C04	C05	C06	C22	179.1°	180.0°
C04	C05	C06	C07	179.9°	180.0°
C04	C05	C22	C09	179.9°	180.0°
C04	C05	C22	H3	0.1°	0.3°
C05	C04	H4	H5	116.9°	120.0°
C04	C05	C06	H6	0.1°	0.1°
C05	C06	C07	H6	180.0°	179.9°
C05	C06	C07	C08	0.8°	0.0°
C06	C05	C22	C09	1.0°	0.0°
C06	C05	C22	H3	179.0°	179.7°
C06	C05	C04	H4	174.7°	150.0°
C06	C05	C04	H5	56.7°	30.0°
C05	C06	C07	H7	179.2°	180.0°
C07	C06	C05	C22	1.0°	0.0°
C06	C07	C08	H7	180.0°	180.0°
C06	C07	C08	C09	0.6°	0.0°
C06	C07	C08	H8	179.4°	179.9°
C05	C22	C09	H3	180.0°	179.8°
C05	C22	C09	C08	0.8°	0.1°
C05	C22	C09	N10	178.7°	179.7°
C22	C05	C04	H4	4.4°	30.0°
C22	C05	C04	H5	122.4°	150.0°
C22	C05	C06	H6	179.0°	179.9°
C07	C08	C09	C22	0.6°	0.0°
C07	C08	C09	H8	180.0°	180.0°
C07	C08	C09	N10	178.9°	179.7°
C08	C07	C06	H6	179.2°	180.0°
C22	C09	C08	N10	179.5°	179.7°
C22	C09	N10	S11	102.0°	133.8°
C22	C09	C08	H8	179.5°	180.0°
C22	C09	N10	H10	136.8°	46.2°
C08	C09	N10	S11	78.6°	46.6°
C08	C09	C22	H3	179.2°	179.7°
C09	C08	C07	H7	179.4°	180.0°
C08	C09	N10	H10	42.7°	133.4°
C09	N10	S11	H10	121.2°	180.0°
C09	N10	S11	O13	42.3°	52.2°
C09	N10	S11	C14	82.6°	61.3°
C09	N10	S11	O12	158.0°	174.9°
N10	C09	C22	H3	1.3°	0.0°
N10	C09	C08	H8	1.1°	0.4°
N10	S11	O13	C14	122.0°	114.1°
N10	S11	O13	O12	119.0°	122.9°
N10	S11	C14	O12	120.7°	113.5°
N10	S11	C14	C15	124.4°	115.7°
N10	S11	C14	C20	55.9°	64.3°
O13	S11	C14	O12	117.4°	133.0°
O13	S11	C14	C15	2.5°	2.2°
O13	S11	C14	C20	177.7°	177.9°
O13	S11	N10	H10	163.5°	127.8°
S11	C14	C15	C20	179.7°	180.0°
S11	C14	C15	C16	180.0°	180.0°
S11	C14	C20	O21	0.7°	0.0°
S11	C14	C20	C18	179.7°	180.0°
S11	C14	C15	H1	0.0°	0.3°
C14	S11	N10	H10	38.6°	118.6°
O12	S11	C14	C15	114.9°	130.8°
O12	S11	C14	C20	64.9°	49.2°
O12	S11	N10	H10	80.7°	5.1°
C14	C15	C16	H1	180.0°	179.7°
C14	C15	C16	C17	0.4°	0.0°
C15	C14	C20	O21	179.5°	179.9°
C15	C14	C20	C18	0.1°	0.0°
C14	C15	C16	H9	179.6°	180.0°
C16	C15	C14	C20	0.3°	0.0°
C15	C16	C17	H9	180.0°	180.0°
C15	C16	C17	C18	0.1°	0.0°
C15	C16	C17	H2	179.9°	180.0°
C14	C20	O21	C18	179.6°	179.9°
C14	C20	C18	C17	0.3°	0.0°
C14	C20	C18	CL1	179.9°	180.0°
C20	C14	C15	H1	179.8°	179.7°
C14	C20	O21	H12	180.0°	90.0°
C16	C17	C18	C20	0.2°	0.0°
C16	C17	C18	H2	180.0°	180.0°
C16	C17	C18	CL1	180.0°	180.0°
C17	C16	C15	H1	179.7°	179.7°
O21	C20	C18	C17	179.3°	179.9°
O21	C20	C18	CL1	0.5°	0.1°
C20	C18	C17	CL1	179.8°	180.0°
C20	C18	C17	H2	179.8°	180.0°
C18	C20	O21	H12	0.4°	90.0°
C18	C17	C16	H9	179.9°	180.0°
CL1	C18	C17	H2	0.1°	0.0°
H1	C15	C16	H9	0.3°	0.3°
H2	C17	C16	H9	0.1°	0.0°
H6	C06	C07	H7	0.8°	0.1°
H7	C07	C08	H8	0.6°	0.0°

Release date:	2018-07-04
Definition date:	2018-06-11
Last modified:	2018-06-29
Release status:	REL
Processing site:	RCSB
Derived from:	6DPX