8D6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O03	C02	doub	1.22Å	1.22Å
CL06	C05	sing	1.74Å	1.74Å
C02	N01	sing	1.35Å	1.42Å
C02	C04	sing	1.47Å	1.49Å
C04	C05	doub	1.38Å	1.39Å	Aromatic
C04	N09	sing	1.38Å	1.36Å	Aromatic
C05	C07	sing	1.41Å	1.38Å	Aromatic
C11	C12	doub	1.38Å	1.40Å	Aromatic
C11	C10	sing	1.40Å	1.41Å	Aromatic
N09	C08	sing	1.35Å	1.36Å	Aromatic
C12	N13	sing	1.32Å	1.36Å	Aromatic
C07	C10	sing	1.48Å	1.50Å
C07	C08	doub	1.38Å	1.39Å	Aromatic
C10	C15	doub	1.40Å	1.41Å	Aromatic
N13	C14	doub	1.32Å	1.35Å	Aromatic
C15	C14	sing	1.38Å	1.39Å	Aromatic
C15	H1	sing	1.08Å	1.08Å
N01	H2	sing	0.97Å	1.00Å
N01	H3	sing	0.97Å	1.00Å
C08	H4	sing	1.08Å	1.08Å
N09	H5	sing	0.97Å	1.00Å
C11	H6	sing	1.08Å	1.08Å
C12	H7	sing	1.08Å	1.08Å
C14	H8	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O03	C02	N01	119.7°	120.0°
O03	C02	C04	122.3°	120.0°
CL06	C05	C04	124.3°	126.5°
CL06	C05	C07	127.5°	126.6°
N01	C02	C04	118.0°	120.0°
C02	N01	H2	120.0°	120.1°
C02	N01	H3	120.0°	120.0°
C02	C04	C05	127.6°	126.0°
C02	C04	N09	124.5°	126.1°
C05	C04	N09	107.9°	108.0°
C04	C05	C07	108.2°	106.8°
C04	N09	C08	108.6°	109.1°
C04	N09	H5	125.7°	125.4°
C05	C07	C10	130.4°	126.3°
C05	C07	C08	106.2°	107.4°
C12	C11	C10	119.4°	119.0°
C11	C12	N13	120.2°	120.9°
C12	C11	H6	120.3°	120.5°
C11	C12	H7	119.9°	119.5°
C11	C10	C07	121.2°	120.9°
C11	C10	C15	118.3°	118.2°
C10	C11	H6	120.3°	120.5°
N09	C08	C07	109.1°	108.7°
N09	C08	H4	125.5°	125.7°
C08	N09	H5	125.7°	125.4°
C12	N13	C14	122.2°	122.0°
N13	C12	H7	119.9°	119.6°
C10	C07	C08	123.1°	126.3°
C07	C10	C15	120.2°	120.9°
C07	C08	H4	125.5°	125.6°
C10	C15	C14	120.4°	119.0°
C10	C15	H1	119.8°	120.5°
N13	C14	C15	119.3°	120.9°
N13	C14	H8	120.3°	119.5°
C14	C15	H1	119.8°	120.5°
C15	C14	H8	120.3°	119.5°
H2	N01	H3	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O03	C02	N01	C04	178.1°	180.0°
O03	C02	C04	C05	18.2°	0.0°
O03	C02	C04	N09	161.9°	179.7°
O03	C02	N01	H2	0.0°	179.9°
O03	C02	N01	H3	180.0°	0.1°
CL06	C05	C04	C02	0.9°	0.0°
CL06	C05	C04	C07	178.1°	180.0°
CL06	C05	C04	N09	179.0°	179.8°
CL06	C05	C07	C10	6.1°	0.0°
CL06	C05	C07	C08	179.6°	180.0°
N01	C02	C04	C05	163.7°	180.0°
N01	C02	C04	N09	16.2°	0.3°
C02	N01	H2	H3	180.0°	179.8°
C02	C04	C05	N09	179.9°	179.7°
C02	C04	C05	C07	179.1°	180.0°
C02	C04	N09	C08	179.8°	179.9°
C04	C02	N01	H2	178.1°	0.1°
C04	C02	N01	H3	1.9°	179.9°
C02	C04	N09	H5	0.2°	0.0°
C05	C04	N09	C08	0.2°	0.4°
C04	C05	C07	C10	175.8°	180.0°
C04	C05	C07	C08	1.6°	0.0°
C05	C04	N09	H5	179.8°	179.7°
N09	C04	C05	C07	0.9°	0.3°
C04	N09	C08	H5	180.0°	179.9°
C04	N09	C08	C07	1.2°	0.4°
C04	N09	C08	H4	178.7°	179.9°
C05	C07	C10	C11	27.7°	49.7°
C05	C07	C08	N09	1.7°	0.2°
C05	C07	C10	C08	173.4°	180.0°
C05	C07	C10	C15	159.1°	129.9°
C05	C07	C08	H4	178.2°	179.9°
C12	C11	C10	H6	180.0°	180.0°
C11	C12	N13	H7	180.0°	180.0°
C12	C11	C10	C07	176.4°	179.7°
C12	C11	C10	C15	3.1°	0.0°
C11	C12	N13	C14	0.8°	0.2°
C10	C11	C12	N13	1.6°	0.0°
C11	C10	C07	C15	173.2°	179.7°
C11	C10	C07	C08	145.7°	130.3°
C11	C10	C15	C14	3.7°	0.3°
C11	C10	C15	H1	176.3°	179.7°
C10	C11	C12	H7	178.4°	180.0°
N09	C08	C07	C10	176.5°	179.8°
N09	C08	C07	H4	180.0°	179.7°
C12	N13	C14	C15	1.4°	0.5°
N13	C12	C11	H6	178.4°	180.0°
C12	N13	C14	H8	178.6°	180.0°
C07	C10	C15	C14	177.1°	180.0°
C07	C10	C15	H1	2.9°	0.1°
C10	C07	C08	H4	3.5°	0.1°
C07	C10	C11	H6	3.6°	0.3°
C08	C07	C10	C15	27.5°	50.1°
C07	C08	N09	H5	178.8°	179.7°
C10	C15	C14	N13	2.9°	0.5°
C10	C15	C14	H1	180.0°	179.9°
C15	C10	C11	H6	177.0°	180.0°
C10	C15	C14	H8	177.1°	180.0°
N13	C14	C15	H8	180.0°	179.5°
N13	C14	C15	H1	177.1°	179.5°
C14	N13	C12	H7	179.2°	179.7°
H1	C15	C14	H8	2.9°	0.0°
H4	C08	N09	H5	1.3°	0.0°
H6	C11	C12	H7	1.6°	0.0°

Release date:	2017-08-09
Definition date:	2017-06-14
Last modified:	2017-08-04
Release status:	REL
Processing site:	PDBJ
Derived from:	5XS2