T7P

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O01	C02	doub	1.21Å	1.23Å
C02	C03	sing	1.51Å	1.51Å
C02	N05	sing	1.35Å	1.38Å
C06	C07	doub	1.39Å	1.39Å	Aromatic
C07	C08	sing	1.38Å	1.39Å	Aromatic
C08	C09	doub	1.39Å	1.37Å	Aromatic
C09	F10	sing	1.35Å	1.36Å
C09	C11	sing	1.38Å	1.37Å	Aromatic
C11	C12	doub	1.38Å	1.38Å	Aromatic
N05	C06	sing	1.40Å	1.44Å
N05	C13	sing	1.47Å	1.46Å
C13	C14	sing	1.50Å	1.53Å
C14	C15	doub	1.30Å	1.33Å
C15	S16	sing	1.78Å	1.75Å
S16	O17	doub	1.42Å	1.44Å
S16	O18	doub	1.42Å	1.44Å
S16	C19	sing	1.84Å	1.78Å
C06	C12	sing	1.39Å	1.39Å	Aromatic
C13	C19	sing	1.55Å	1.54Å
C13	H131	sing	1.09Å	1.10Å
C15	H151	sing	1.08Å	1.08Å
C03	H031	sing	1.09Å	1.10Å
C03	H1	sing	1.09Å	1.10Å
C03	H032	sing	1.09Å	1.10Å
C07	H071	sing	1.08Å	1.08Å
C08	H081	sing	1.08Å	1.08Å
C11	H111	sing	1.08Å	1.08Å
C12	H121	sing	1.08Å	1.08Å
C14	H141	sing	1.08Å	1.08Å
C19	H191	sing	1.09Å	1.10Å
C19	H192	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O01	C02	C03	120.5°	120.1°
O01	C02	N05	121.7°	120.0°
C03	C02	N05	117.8°	120.0°
C02	C03	H031	109.5°	109.5°
C02	C03	H1	109.5°	109.5°
C02	C03	H032	109.5°	109.5°
C02	N05	C06	120.6°	120.0°
C02	N05	C13	120.6°	120.0°
C06	C07	C08	119.9°	119.9°
C07	C06	N05	120.4°	120.0°
C07	C06	C12	119.8°	119.9°
C06	C07	H071	120.1°	120.0°
C07	C08	C09	118.6°	120.0°
C08	C07	H071	120.0°	120.0°
C07	C08	H081	120.7°	120.0°
C08	C09	F10	118.7°	119.9°
C08	C09	C11	123.0°	120.1°
C09	C08	H081	120.7°	120.0°
F10	C09	C11	118.3°	120.0°
C09	C11	C12	118.6°	120.0°
C09	C11	H111	120.7°	120.0°
C11	C12	C06	120.1°	120.0°
C12	C11	H111	120.7°	120.0°
C11	C12	H121	119.9°	120.0°
C06	N05	C13	118.7°	120.0°
N05	C06	C12	119.9°	120.1°
N05	C13	C14	112.2°	109.4°
N05	C13	C19	110.3°	109.4°
N05	C13	H131	109.5°	109.3°
C13	C14	C15	115.0°	119.1°
C14	C13	C19	107.4°	109.8°
C14	C13	H131	108.7°	109.4°
C13	C14	H141	122.5°	120.5°
C14	C15	S16	111.7°	107.6°
C14	C15	H151	124.2°	126.2°
C15	C14	H141	122.5°	120.4°
C15	S16	O17	110.5°	105.6°
C15	S16	O18	110.5°	105.6°
C15	S16	C19	94.8°	96.9°
S16	C15	H151	124.1°	126.2°
O17	S16	O18	117.2°	122.0°
O17	S16	C19	110.8°	111.6°
O18	S16	C19	110.8°	111.6°
S16	C19	C13	107.7°	99.8°
S16	C19	H191	109.9°	111.3°
S16	C19	H192	109.9°	111.4°
C06	C12	H121	120.0°	120.0°
C19	C13	H131	108.6°	109.4°
C13	C19	H191	109.9°	111.3°
C13	C19	H192	109.9°	111.3°
H031	C03	H1	109.5°	109.4°
H031	C03	H032	109.5°	109.5°
H1	C03	H032	109.5°	109.4°
H191	C19	H192	109.5°	111.2°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O01	C02	C03	N05	179.4°	180.0°
O01	C02	N05	C06	155.8°	175.4°
O01	C02	N05	C13	21.6°	4.7°
O01	C02	C03	H031	0.0°	85.3°
O01	C02	C03	H1	120.0°	34.7°
O01	C02	C03	H032	120.0°	154.6°
C03	C02	N05	C06	23.6°	4.6°
C03	C02	N05	C13	159.0°	175.3°
C02	C03	H031	H1	120.0°	120.0°
C02	C03	H031	H032	120.0°	120.1°
C02	C03	H1	H032	120.0°	120.0°
C02	N05	C06	C07	88.6°	114.0°
C02	N05	C06	C13	177.5°	179.9°
C02	N05	C13	C14	158.5°	56.2°
C02	N05	C06	C12	92.4°	66.3°
C02	N05	C13	C19	81.7°	64.1°
C02	N05	C13	H131	37.8°	176.1°
N05	C02	C03	H031	179.4°	94.8°
N05	C02	C03	H1	60.6°	145.3°
N05	C02	C03	H032	59.4°	25.3°
C06	C07	C08	H071	180.0°	180.0°
C06	C07	C08	C09	0.0°	0.0°
C07	C06	C12	C11	0.6°	0.0°
C07	C06	N05	C12	179.0°	179.7°
C07	C06	N05	C13	94.0°	66.0°
C06	C07	C08	H081	180.0°	180.0°
C07	C06	C12	H121	179.5°	180.0°
C07	C08	C09	H081	180.0°	180.0°
C07	C08	C09	F10	179.5°	180.0°
C07	C08	C09	C11	0.1°	0.0°
C08	C07	C06	N05	179.4°	179.7°
C08	C07	C06	C12	0.3°	0.0°
C08	C09	F10	C11	179.6°	180.0°
C08	C09	C11	C12	0.2°	0.0°
C09	C08	C07	H071	180.0°	180.0°
C08	C09	C11	H111	179.8°	179.9°
F10	C09	C11	C12	179.8°	180.0°
F10	C09	C08	H081	0.5°	0.0°
F10	C09	C11	H111	0.3°	0.1°
C09	C11	C12	H111	180.0°	179.9°
C09	C11	C12	C06	0.5°	0.0°
C11	C09	C08	H081	179.9°	180.0°
C09	C11	C12	H121	179.5°	180.0°
C11	C12	C06	N05	179.6°	179.7°
C11	C12	C06	H121	180.0°	180.0°
C06	N05	C13	C14	24.0°	123.7°
C06	N05	C13	C19	95.8°	116.0°
C06	N05	C13	H131	144.8°	3.8°
N05	C06	C07	H071	0.6°	0.3°
N05	C06	C12	H121	0.4°	0.3°
N05	C13	C14	C19	121.5°	120.1°
N05	C13	C14	H131	121.3°	119.8°
N05	C13	C14	C15	138.8°	138.7°
N05	C13	C19	S16	129.3°	145.2°
C13	N05	C06	C12	85.1°	113.7°
N05	C13	C19	H131	120.0°	119.8°
N05	C13	C14	H141	41.2°	41.3°
N05	C13	C19	H191	9.6°	97.2°
N05	C13	C19	H192	111.0°	27.5°
C13	C14	C15	H141	180.0°	180.0°
C13	C14	C15	S16	20.0°	0.3°
C14	C13	C19	S16	6.6°	25.1°
C14	C13	C19	H131	117.4°	120.1°
C13	C14	C15	H151	160.0°	179.7°
C14	C13	C19	H191	113.1°	142.7°
C14	C13	C19	H192	126.4°	92.6°
C14	C15	S16	H151	180.0°	180.0°
C14	C15	S16	O17	127.6°	100.4°
C14	C15	S16	O18	101.0°	129.1°
C14	C15	S16	C19	13.3°	14.4°
C15	C14	C13	C19	17.4°	18.6°
C15	C14	C13	H131	99.9°	101.5°
C15	S16	O17	O18	127.8°	120.2°
C15	S16	O17	C19	103.8°	104.2°
C15	S16	O18	C19	103.8°	104.2°
C15	S16	C19	C13	2.9°	22.5°
S16	C15	C14	H141	160.0°	179.7°
C15	S16	C19	H191	122.6°	140.2°
C15	S16	C19	H192	116.9°	95.1°
O17	S16	O18	C19	128.5°	135.6°
O17	S16	C19	C13	116.9°	87.3°
O17	S16	C15	H151	52.4°	79.5°
O17	S16	C19	H191	123.3°	30.3°
O17	S16	C19	H192	2.8°	155.0°
O18	S16	C19	C13	111.2°	132.4°
O18	S16	C15	H151	79.0°	50.9°
O18	S16	C19	H191	8.5°	110.0°
O18	S16	C19	H192	129.1°	14.7°
S16	C19	C13	H191	119.7°	117.7°
S16	C19	C13	H192	119.8°	117.7°
S16	C19	C13	H131	110.7°	95.1°
C19	S16	C15	H151	166.7°	165.7°
S16	C19	H191	H192	120.8°	124.8°
C12	C06	C07	H071	179.7°	180.0°
C06	C12	C11	H111	179.5°	179.9°
C19	C13	C14	H141	162.7°	161.4°
C13	C19	H191	H192	120.8°	124.7°
H131	C13	C14	H141	80.1°	78.5°
H131	C13	C19	H191	129.6°	22.6°
H131	C13	C19	H192	9.0°	147.2°
H151	C15	C14	H141	20.0°	0.4°
H031	C03	H1	H032	120.0°	120.0°
H071	C07	C08	H081	0.0°	0.0°
H111	C11	C12	H121	0.5°	0.1°

Release date:	2020-03-25
Definition date:	2020-03-16
Last modified:	2020-03-20
Release status:	REL
Processing site:	RCSB
Derived from:	5RFN