34J

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N01	C02	sing	1.40Å	1.45Å
C03	C02	doub	1.39Å	1.38Å	Aromatic
C03	C04	sing	1.38Å	1.39Å	Aromatic
C02	C27	sing	1.39Å	1.39Å	Aromatic
C04	C05	doub	1.38Å	1.39Å	Aromatic
O29	N28	doub	1.22Å	1.29Å
C27	N28	sing	1.48Å	1.47Å
C27	C26	doub	1.38Å	1.40Å	Aromatic
N28	O30	doub	1.22Å	1.27Å
C05	C26	sing	1.38Å	1.38Å	Aromatic
C05	C06	sing	1.51Å	1.55Å
C06	C07	sing	1.53Å	1.54Å
O25	C23	doub	1.21Å	1.31Å
C23	C07	sing	1.51Å	1.49Å
C23	O24	sing	1.34Å	1.26Å
C07	N08	sing	1.47Å	1.35Å
N08	N09	sing	1.37Å	1.31Å
N09	C10	sing	1.39Å	1.51Å
C10	N11	doub	1.30Å	1.34Å	Aromatic
C10	S22	sing	1.76Å	1.71Å	Aromatic
N11	C12	sing	1.33Å	1.36Å	Aromatic
C14	C15	doub	1.38Å	1.39Å	Aromatic
C14	C13	sing	1.39Å	1.38Å	Aromatic
S22	C21	sing	1.76Å	1.72Å	Aromatic
C12	C13	sing	1.48Å	1.32Å
C12	C21	doub	1.34Å	1.39Å	Aromatic
C15	C16	sing	1.39Å	1.37Å	Aromatic
C13	C20	doub	1.39Å	1.40Å	Aromatic
C16	CL17	sing	1.74Å	1.70Å
C16	C18	doub	1.38Å	1.38Å	Aromatic
C20	C18	sing	1.38Å	1.39Å	Aromatic
C18	CL19	sing	1.74Å	1.77Å
C15	H151	sing	1.08Å	1.08Å
C20	H201	sing	1.08Å	1.08Å
C21	H211	sing	1.08Å	1.08Å
C26	H261	sing	1.08Å	1.08Å
N01	H011	sing	0.97Å	1.00Å
N01	H012	sing	0.97Å	1.00Å
C03	H031	sing	1.08Å	1.08Å
C04	H041	sing	1.08Å	1.08Å
C06	H062	sing	1.09Å	1.10Å
C06	H061	sing	1.09Å	1.10Å
C07	H1	sing	1.09Å	1.10Å
N08	H2	sing	1.01Å	1.00Å
N09	H091	sing	0.97Å	1.00Å
C14	H141	sing	1.08Å	1.08Å
O24	H3	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N01	C02	C03	119.2°	120.1°
N01	C02	C27	121.0°	120.0°
C02	N01	H011	109.5°	120.0°
C02	N01	H012	109.4°	120.0°
C02	C03	C04	120.2°	119.9°
C03	C02	C27	119.8°	119.9°
C02	C03	H031	119.9°	120.1°
C03	C04	C05	120.0°	120.1°
C04	C03	H031	119.9°	120.0°
C03	C04	H041	120.0°	120.0°
C02	C27	N28	120.8°	120.1°
C02	C27	C26	119.8°	119.9°
C04	C05	C26	120.0°	120.1°
C04	C05	C06	119.9°	119.9°
C05	C04	H041	120.0°	120.0°
O29	N28	C27	120.3°	120.0°
O29	N28	O30	119.7°	120.0°
N28	C27	C26	119.4°	120.0°
C27	N28	O30	120.1°	120.0°
C27	C26	C05	120.1°	120.1°
C27	C26	H261	119.9°	119.9°
C26	C05	C06	120.1°	119.9°
C05	C26	H261	120.0°	120.0°
C05	C06	C07	117.2°	109.5°
C05	C06	H062	107.5°	109.5°
C05	C06	H061	107.5°	109.4°
C06	C07	C23	116.4°	109.5°
C06	C07	N08	121.8°	109.5°
C07	C06	H062	107.5°	109.5°
C07	C06	H061	107.5°	109.5°
C06	C07	H1	95.5°	109.5°
O25	C23	C07	118.9°	120.1°
O25	C23	O24	119.9°	120.0°
C07	C23	O24	121.2°	119.9°
C23	C07	N08	118.7°	109.4°
C23	C07	H1	95.7°	109.5°
C23	O24	H3	109.5°	117.0°
C07	N08	N09	123.7°	111.0°
N08	C07	H1	96.3°	109.5°
C07	N08	H2	105.8°	111.0°
N08	N09	C10	119.6°	120.0°
N09	N08	H2	105.8°	111.0°
N08	N09	H091	106.9°	120.0°
N09	C10	N11	127.4°	125.2°
N09	C10	S22	126.2°	125.3°
C10	N09	H091	106.9°	120.0°
N11	C10	S22	106.4°	109.4°
C10	N11	C12	116.8°	116.8°
C10	S22	C21	96.4°	90.1°
N11	C12	C13	122.4°	122.4°
N11	C12	C21	115.3°	115.3°
C15	C14	C13	121.0°	120.0°
C14	C15	C16	120.1°	120.1°
C14	C15	H151	120.0°	120.0°
C15	C14	H141	119.5°	120.0°
C14	C13	C12	120.0°	120.2°
C14	C13	C20	118.8°	119.7°
C13	C14	H141	119.5°	120.0°
S22	C21	C12	105.1°	108.3°
S22	C21	H211	127.5°	125.8°
C13	C12	C21	122.3°	122.3°
C12	C13	C20	121.2°	120.1°
C12	C21	H211	127.4°	125.9°
C15	C16	CL17	120.7°	119.9°
C15	C16	C18	119.4°	120.2°
C16	C15	H151	120.0°	119.9°
C13	C20	C18	119.8°	119.9°
C13	C20	H201	120.1°	120.0°
CL17	C16	C18	119.8°	119.9°
C16	C18	C20	120.9°	120.1°
C16	C18	CL19	118.5°	120.0°
C20	C18	CL19	120.6°	119.9°
C18	C20	H201	120.1°	120.1°
H011	N01	H012	109.4°	120.0°
H062	C06	H061	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N01	C02	C03	C27	179.9°	180.0°
N01	C02	C03	C04	180.0°	179.7°
N01	C02	C27	N28	0.2°	0.0°
N01	C02	C27	C26	179.9°	180.0°
C02	N01	H011	H012	120.0°	179.9°
N01	C02	C03	H031	0.0°	0.0°
C02	C03	C04	H031	180.0°	179.7°
C02	C03	C04	C05	0.0°	0.2°
C03	C02	C27	N28	179.8°	179.9°
C03	C02	C27	C26	0.1°	0.0°
C03	C02	N01	H011	180.0°	172.2°
C03	C02	N01	H012	60.0°	7.7°
C02	C03	C04	H041	180.0°	180.0°
C04	C03	C02	C27	0.0°	0.3°
C03	C04	C05	H041	180.0°	179.8°
C03	C04	C05	C26	0.1°	0.1°
C03	C04	C05	C06	179.7°	179.9°
C02	C27	N28	O29	11.4°	37.3°
C02	C27	N28	C26	179.7°	179.9°
C02	C27	N28	O30	168.8°	142.6°
C02	C27	C26	C05	0.2°	0.2°
C02	C27	C26	H261	179.8°	180.0°
C27	C02	N01	H011	0.1°	7.8°
C27	C02	N01	H012	120.1°	172.3°
C27	C02	C03	H031	180.0°	180.0°
C04	C05	C26	C27	0.2°	0.3°
C04	C05	C26	C06	179.6°	179.9°
C04	C05	C06	C07	112.4°	89.9°
C04	C05	C26	H261	179.8°	180.0°
C05	C04	C03	H031	180.0°	179.9°
C04	C05	C06	H062	126.5°	150.0°
C04	C05	C06	H061	8.7°	30.1°
O29	N28	C27	O30	179.7°	179.9°
O29	N28	C27	C26	168.3°	142.6°
N28	C27	C26	C05	179.9°	179.7°
N28	C27	C26	H261	0.1°	0.0°
C26	C27	N28	O30	11.5°	37.4°
C27	C26	C05	H261	180.0°	179.7°
C27	C26	C05	C06	179.8°	179.8°
C26	C05	C06	C07	67.2°	89.9°
C26	C05	C04	H041	179.9°	179.8°
C26	C05	C06	H062	53.9°	30.1°
C26	C05	C06	H061	171.7°	150.0°
C05	C06	C07	H062	121.1°	120.0°
C05	C06	C07	H061	121.1°	120.0°
C05	C06	C07	C23	74.2°	175.0°
C05	C06	C07	N08	85.6°	65.0°
C06	C05	C26	H261	0.2°	0.1°
C06	C05	C04	H041	0.3°	0.1°
C05	C06	H062	H061	116.5°	120.0°
C05	C06	C07	H1	173.4°	55.0°
C06	C07	C23	O25	17.0°	120.0°
C06	C07	C23	N08	160.5°	120.0°
C06	C07	C23	H1	99.1°	120.1°
C06	C07	C23	O24	163.0°	60.0°
C06	C07	N08	H1	100.6°	120.0°
C06	C07	N08	N09	20.3°	150.0°
C07	C06	H062	H061	116.5°	120.0°
C06	C07	N08	H2	142.2°	86.0°
O25	C23	C07	O24	180.0°	180.0°
O25	C23	C07	N08	177.5°	0.0°
O25	C23	C07	H1	82.1°	119.9°
O25	C23	O24	H3	0.0°	0.0°
C23	C07	N08	H1	100.1°	120.0°
C23	C07	N08	N09	179.6°	90.0°
C23	C07	C06	H062	164.7°	55.0°
C23	C07	C06	H061	46.9°	65.0°
C23	C07	N08	H2	58.4°	34.0°
C07	C23	O24	H3	180.0°	180.0°
O24	C23	C07	N08	2.5°	180.0°
O24	C23	C07	H1	97.9°	60.0°
C07	N08	N09	H2	122.0°	124.0°
C07	N08	N09	C10	178.5°	180.0°
N08	C07	C06	H062	35.5°	175.0°
N08	C07	C06	H061	153.3°	55.0°
C07	N08	N09	H091	57.0°	0.0°
N08	N09	C10	H091	121.4°	180.0°
N08	N09	C10	N11	172.9°	180.0°
N08	N09	C10	S22	7.4°	0.3°
N09	N08	C07	H1	80.3°	30.0°
N09	C10	N11	S22	179.8°	179.7°
N09	C10	N11	C12	179.6°	179.7°
N09	C10	S22	C21	179.8°	179.7°
C10	N09	N08	H2	59.6°	56.0°
N11	C10	S22	C21	0.0°	0.0°
C10	N11	C12	C13	179.7°	180.0°
C10	N11	C12	C21	0.3°	0.0°
N11	C10	N09	H091	51.5°	0.0°
S22	C10	N11	C12	0.1°	0.0°
C10	S22	C21	C12	0.2°	0.0°
C10	S22	C21	H211	179.9°	180.0°
S22	C10	N09	H091	128.8°	179.7°
N11	C12	C13	C14	24.7°	179.7°
N11	C12	C21	S22	0.3°	0.0°
N11	C12	C13	C21	179.4°	180.0°
N11	C12	C13	C20	155.6°	0.0°
N11	C12	C21	H211	179.8°	180.0°
C15	C14	C13	H141	180.0°	179.9°
C15	C14	C13	C12	179.8°	179.8°
C14	C15	C16	H151	180.0°	179.3°
C15	C14	C13	C20	0.1°	0.1°
C14	C15	C16	CL17	180.0°	179.2°
C14	C15	C16	C18	0.1°	0.7°
C14	C13	C12	C20	179.7°	179.7°
C14	C13	C12	C21	154.7°	0.3°
C13	C14	C15	C16	0.1°	0.5°
C14	C13	C20	C18	0.1°	0.3°
C13	C14	C15	H151	179.9°	179.7°
C14	C13	C20	H201	179.9°	179.7°
S22	C21	C12	C13	179.7°	180.0°
S22	C21	C12	H211	180.0°	180.0°
C12	C13	C20	C18	179.8°	180.0°
C12	C13	C20	H201	0.2°	0.0°
C13	C12	C21	H211	0.3°	0.0°
C12	C13	C14	H141	0.2°	0.3°
C21	C12	C13	C20	25.0°	180.0°
C15	C16	CL17	C18	180.0°	180.0°
C15	C16	C18	C20	0.1°	0.5°
C15	C16	C18	CL19	180.0°	179.5°
C16	C15	C14	H141	179.9°	179.5°
C13	C20	C18	C16	0.1°	0.0°
C13	C20	C18	H201	180.0°	180.0°
C13	C20	C18	CL19	179.9°	180.0°
C20	C13	C14	H141	179.9°	180.0°
CL17	C16	C18	C20	180.0°	179.5°
CL17	C16	C18	CL19	0.0°	0.5°
CL17	C16	C15	H151	0.0°	0.0°
C16	C18	C20	CL19	180.0°	180.0°
C18	C16	C15	H151	179.9°	180.0°
C16	C18	C20	H201	179.9°	180.0°
CL19	C18	C20	H201	0.1°	0.0°
H151	C15	C14	H141	0.1°	0.2°
H031	C03	C04	H041	0.0°	0.2°
H062	C06	C07	H1	65.5°	65.0°
H061	C06	C07	H1	52.3°	175.0°
H1	C07	N08	H2	41.7°	154.0°
H2	N08	N09	H091	179.0°	123.9°

Release date:	2014-08-13
Definition date:	2014-06-16
Last modified:	2014-09-05
Release status:	REL
Processing site:	RCSB
Derived from:	4TQC