1LW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C11	C10	sing	1.53Å	1.53Å
C11	C12	sing	1.53Å	1.51Å
C10	C08	sing	1.51Å	1.50Å
C12	C13	sing	1.54Å	1.52Å
C08	N09	doub	1.32Å	1.39Å	Aromatic
C08	C07	sing	1.38Å	1.38Å	Aromatic
C13	C07	sing	1.51Å	1.48Å
N09	C04	sing	1.33Å	1.37Å	Aromatic
C07	C06	doub	1.39Å	1.42Å	Aromatic
C04	C05	doub	1.40Å	1.39Å	Aromatic
C04	S03	sing	1.76Å	1.71Å	Aromatic
C06	C05	sing	1.42Å	1.41Å	Aromatic
C06	N14	sing	1.39Å	1.35Å
C05	C01	sing	1.45Å	1.44Å	Aromatic
S03	C02	sing	1.75Å	1.71Å	Aromatic
C01	C02	doub	1.32Å	1.35Å	Aromatic
C01	H011	sing	1.08Å	1.08Å
C02	H021	sing	1.08Å	1.08Å
C10	H101	sing	1.09Å	1.10Å
C10	H102	sing	1.09Å	1.10Å
C11	H112	sing	1.09Å	1.10Å
C11	H111	sing	1.09Å	1.10Å
C12	H121	sing	1.09Å	1.10Å
C12	H122	sing	1.09Å	1.10Å
C13	H132	sing	1.09Å	1.10Å
C13	H131	sing	1.09Å	1.10Å
N14	H142	sing	0.97Å	1.00Å
N14	H141	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	C11	C12	113.2°	108.4°
C11	C10	C08	112.5°	110.6°
C11	C10	H101	108.7°	109.3°
C11	C10	H102	108.7°	109.2°
C10	C11	H112	108.5°	109.7°
C10	C11	H111	108.5°	109.6°
C11	C12	C13	114.1°	107.5°
C12	C11	H112	108.6°	109.6°
C12	C11	H111	108.5°	109.6°
C11	C12	H121	108.3°	109.7°
C11	C12	H122	108.3°	109.7°
C10	C08	N09	115.7°	117.4°
C10	C08	C07	122.5°	122.2°
C08	C10	H101	108.7°	109.2°
C08	C10	H102	108.7°	109.2°
C12	C13	C07	118.9°	110.3°
C13	C12	H121	108.3°	110.7°
C13	C12	H122	108.3°	109.4°
C12	C13	H132	107.1°	109.3°
C12	C13	H131	107.1°	109.3°
N09	C08	C07	121.8°	120.3°
C08	N09	C04	119.0°	123.2°
C08	C07	C13	120.7°	122.8°
C08	C07	C06	119.4°	119.3°
C13	C07	C06	120.0°	117.9°
C07	C13	H132	107.1°	110.3°
C07	C13	H131	107.1°	108.5°
N09	C04	C05	121.0°	120.0°
N09	C04	S03	126.9°	130.5°
C07	C06	C05	118.6°	119.1°
C07	C06	N14	122.0°	120.5°
C05	C04	S03	112.1°	109.5°
C04	C05	C06	120.2°	118.0°
C04	C05	C01	111.2°	112.1°
C04	S03	C02	91.3°	92.2°
C05	C06	N14	119.4°	120.4°
C06	C05	C01	128.6°	129.9°
C06	N14	H142	109.5°	120.1°
C06	N14	H141	109.5°	120.0°
C05	C01	C02	111.9°	114.8°
C05	C01	H011	124.0°	122.6°
S03	C02	C01	113.4°	111.4°
S03	C02	H021	123.3°	124.3°
C02	C01	H011	124.0°	122.6°
C01	C02	H021	123.3°	124.3°
H101	C10	H102	109.5°	109.2°
H112	C11	H111	109.5°	109.9°
H121	C12	H122	109.4°	109.7°
H132	C13	H131	109.5°	109.2°
H142	N14	H141	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	C11	C12	H112	120.6°	119.7°
C10	C11	C12	H111	120.5°	119.7°
C11	C10	C08	H101	120.4°	120.3°
C11	C10	C08	H102	120.5°	120.3°
C10	C11	C12	C13	44.9°	70.7°
C11	C10	C08	N09	153.0°	162.1°
C11	C10	C08	C07	25.3°	17.2°
C11	C10	H101	H102	118.6°	119.4°
C10	C11	H112	H111	118.3°	120.6°
C10	C11	C12	H121	165.6°	49.8°
C10	C11	C12	H122	75.8°	170.4°
C12	C11	C10	C08	47.7°	51.4°
C11	C12	C13	H121	120.7°	119.9°
C11	C12	C13	H122	120.7°	119.1°
C11	C12	C13	C07	19.0°	52.1°
C12	C11	C10	H101	72.7°	68.8°
C12	C11	C10	H102	168.2°	171.7°
C12	C11	H112	H111	118.3°	120.5°
C11	C12	H121	H122	117.9°	120.6°
C11	C12	C13	H132	102.3°	69.3°
C11	C12	C13	H131	140.3°	171.3°
C10	C08	N09	C07	178.2°	179.3°
C10	C08	C07	C13	1.0°	0.5°
C10	C08	N09	C04	179.1°	179.3°
C10	C08	C07	C06	180.0°	179.7°
C08	C10	H101	H102	118.6°	119.4°
C08	C10	C11	H112	72.8°	171.1°
C08	C10	C11	H111	168.3°	68.2°
C12	C13	C07	C08	4.5°	18.5°
C12	C13	C07	H132	121.3°	120.8°
C12	C13	C07	H131	121.3°	119.7°
C12	C13	C07	C06	176.5°	161.8°
C13	C12	C11	H112	75.6°	169.6°
C13	C12	C11	H111	165.5°	48.9°
C13	C12	H121	H122	117.9°	120.9°
C12	C13	H132	H131	115.7°	119.5°
N09	C08	C07	C13	179.2°	178.8°
N09	C08	C07	C06	1.8°	1.0°
C08	N09	C04	C05	2.1°	1.1°
C08	N09	C04	S03	179.7°	179.5°
N09	C08	C10	H101	86.6°	77.6°
N09	C08	C10	H102	32.5°	41.8°
C08	C07	C13	C06	179.0°	179.7°
C07	C08	N09	C04	2.6°	1.4°
C08	C07	C06	C05	0.5°	0.3°
C08	C07	C06	N14	178.1°	179.7°
C07	C08	C10	H101	95.2°	103.1°
C07	C08	C10	H102	145.7°	137.5°
C08	C07	C13	H132	125.9°	102.3°
C08	C07	C13	H131	116.8°	138.2°
C13	C07	C06	C05	179.5°	179.5°
C13	C07	C06	N14	2.9°	0.5°
C07	C13	C12	H121	139.7°	67.8°
C07	C13	C12	H122	101.7°	171.2°
C07	C13	H132	H131	115.7°	119.1°
N09	C04	C05	S03	178.4°	179.6°
N09	C04	C05	C06	0.8°	0.3°
N09	C04	C05	C01	178.9°	179.9°
N09	C04	S03	C02	178.9°	179.8°
C07	C06	C05	C04	0.0°	0.0°
C07	C06	C05	N14	177.6°	180.0°
C07	C06	C05	C01	179.7°	179.5°
C06	C07	C13	H132	55.1°	77.4°
C06	C07	C13	H131	62.2°	42.1°
C07	C06	N14	H142	180.0°	180.0°
C07	C06	N14	H141	60.0°	0.0°
C04	C05	C06	C01	179.7°	179.5°
C04	C05	C06	N14	177.7°	179.9°
C05	C04	S03	C02	0.6°	0.3°
C04	C05	C01	C02	0.1°	0.5°
C04	C05	C01	H011	179.9°	179.7°
S03	C04	C05	C06	179.3°	179.9°
S03	C04	C05	C01	0.5°	0.5°
C04	S03	C02	C01	0.6°	0.0°
C04	S03	C02	H021	179.4°	180.0°
C06	C05	C01	C02	179.7°	180.0°
C06	C05	C01	H011	0.3°	0.2°
C05	C06	N14	H142	2.5°	0.1°
C05	C06	N14	H141	117.6°	180.0°
N14	C06	C05	C01	2.1°	0.5°
C06	N14	H142	H141	120.0°	179.9°
C05	C01	C02	S03	0.4°	0.2°
C05	C01	C02	H011	180.0°	179.8°
C05	C01	C02	H021	179.6°	179.8°
S03	C02	C01	H021	180.0°	180.0°
S03	C02	C01	H011	179.6°	180.0°
H011	C01	C02	H021	0.4°	0.0°
H101	C10	C11	H112	166.7°	50.8°
H101	C10	C11	H111	47.8°	171.5°
H102	C10	C11	H112	47.6°	68.6°
H102	C10	C11	H111	71.3°	52.1°
H112	C11	C12	H121	45.0°	69.9°
H112	C11	C12	H122	163.7°	50.7°
H111	C11	C12	H121	73.9°	169.4°
H111	C11	C12	H122	44.8°	70.0°
H121	C12	C13	H132	18.3°	170.8°
H121	C12	C13	H131	99.0°	51.4°
H122	C12	C13	H132	137.0°	49.8°
H122	C12	C13	H131	19.6°	69.7°

Release date:	2013-05-01
Definition date:	2013-03-24
Last modified:	2013-04-26
Release status:	REL
Processing site:	RCSB
Derived from:	4JMB