8XL

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C09	C10	sing	0.00Å	1.38Å	Aromatic
C09	C08	doub	0.00Å	1.41Å	Aromatic
C10	C11	doub	0.00Å	1.39Å	Aromatic
C08	N07	sing	0.00Å	1.36Å	Aromatic
C08	C13	sing	0.00Å	1.34Å	Aromatic
C11	C12	sing	0.00Å	1.37Å	Aromatic
N07	C06	sing	0.00Å	1.32Å	Aromatic
C13	C12	doub	0.00Å	1.39Å	Aromatic
C13	C05	sing	0.00Å	1.38Å	Aromatic
C06	C05	doub	0.00Å	1.38Å	Aromatic
C05	C04	sing	0.00Å	1.48Å
C01	N02	trip	0.00Å	1.13Å
N02	C03	sing	0.00Å	1.40Å
C04	C03	doub	0.00Å	1.33Å
C10	H6	sing	0.00Å	1.08Å
C03	H1	sing	0.00Å	1.08Å
C04	H2	sing	0.00Å	1.08Å
C06	H3	sing	0.00Å	1.08Å
N07	H4	sing	0.00Å	1.00Å
C09	H5	sing	0.00Å	1.08Å
C11	H7	sing	0.00Å	1.08Å
C12	H8	sing	0.00Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	C09	C08	118.9°	90.0°
C09	C10	C11	120.4°	90.0°
C09	C10	H6	119.8°	90.0°
C10	C09	H5	120.6°	90.0°
C09	C08	N07	132.3°	90.0°
C09	C08	C13	119.6°	90.0°
C08	C09	H5	120.6°	90.0°
C10	C11	C12	120.4°	90.0°
C11	C10	H6	119.8°	90.0°
C10	C11	H7	119.8°	90.0°
N07	C08	C13	108.0°	90.0°
C08	N07	C06	110.6°	90.0°
C08	N07	H4	124.7°	90.0°
C08	C13	C12	122.3°	90.0°
C08	C13	C05	106.1°	90.0°
C11	C12	C13	118.3°	90.0°
C12	C11	H7	119.8°	90.0°
C11	C12	H8	120.8°	90.0°
N07	C06	C05	106.0°	90.0°
N07	C06	H3	127.0°	90.0°
C06	N07	H4	124.7°	90.0°
C12	C13	C05	131.6°	90.0°
C13	C12	H8	120.8°	90.0°
C13	C05	C06	109.3°	90.0°
C13	C05	C04	120.9°	90.0°
C06	C05	C04	129.8°	90.0°
C05	C06	H3	127.0°	90.0°
C05	C04	C03	121.2°	90.0°
C05	C04	H2	119.4°	90.0°
C01	N02	C03	175.4°	90.0°
N02	C03	C04	118.7°	90.0°
N02	C03	H1	120.7°	90.0°
C04	C03	H1	120.6°	90.0°
C03	C04	H2	119.4°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	C09	C08	H5	180.0°	90.0°
C09	C10	C11	H6	180.0°	90.0°
C10	C09	C08	N07	179.6°	90.0°
C10	C09	C08	C13	0.7°	90.0°
C09	C10	C11	C12	1.3°	90.0°
C09	C10	C11	H7	178.7°	90.0°
C08	C09	C10	C11	0.8°	90.0°
C09	C08	N07	C13	179.7°	90.0°
C09	C08	N07	C06	179.3°	90.0°
C09	C08	C13	C12	1.1°	90.0°
C09	C08	C13	C05	179.6°	90.0°
C08	C09	C10	H6	179.2°	90.0°
C09	C08	N07	H4	0.7°	90.0°
C10	C11	C12	H7	180.0°	90.0°
C10	C11	C12	C13	1.6°	90.0°
C11	C10	C09	H5	179.2°	90.0°
C10	C11	C12	H8	178.4°	90.0°
C08	N07	C06	H4	180.0°	90.0°
N07	C08	C13	C12	179.1°	90.0°
N07	C08	C13	C05	0.6°	90.0°
C08	N07	C06	C05	0.9°	90.0°
C08	N07	C06	H3	179.0°	90.0°
N07	C08	C09	H5	0.3°	90.0°
C08	C13	C12	C11	1.6°	90.0°
C13	C08	N07	C06	1.0°	90.0°
C08	C13	C12	C05	178.1°	90.0°
C08	C13	C05	C06	0.1°	90.0°
C08	C13	C05	C04	179.8°	90.0°
C13	C08	N07	H4	179.0°	90.0°
C13	C08	C09	H5	179.3°	90.0°
C08	C13	C12	H8	178.4°	90.0°
C11	C12	C13	H8	180.0°	90.0°
C11	C12	C13	C05	179.7°	90.0°
C12	C11	C10	H6	178.7°	90.0°
N07	C06	C05	C13	0.5°	90.0°
N07	C06	C05	H3	180.0°	90.0°
N07	C06	C05	C04	179.6°	90.0°
C12	C13	C05	C06	178.4°	90.0°
C12	C13	C05	C04	1.5°	90.0°
C13	C12	C11	H7	178.4°	90.0°
C13	C05	C06	C04	179.8°	90.0°
C13	C05	C04	C03	167.5°	90.0°
C13	C05	C04	H2	12.5°	90.0°
C13	C05	C06	H3	179.5°	90.0°
C05	C13	C12	H8	0.4°	90.0°
C06	C05	C04	C03	12.7°	90.0°
C06	C05	C04	H2	167.3°	90.0°
C05	C06	N07	H4	179.1°	90.0°
C05	C04	C03	N02	3.1°	90.0°
C05	C04	C03	H2	180.0°	90.0°
C05	C04	C03	H1	177.0°	90.0°
C04	C05	C06	H3	0.4°	90.0°
C01	N02	C03	C04	45.2°	90.0°
C01	N02	C03	H1	134.7°	90.0°
N02	C03	C04	H1	180.0°	90.0°
N02	C03	C04	H2	176.9°	90.0°
H6	C10	C09	H5	0.8°	90.0°
H6	C10	C11	H7	1.3°	90.0°
H1	C03	C04	H2	3.0°	90.0°
H3	C06	N07	H4	1.0°	90.0°
H7	C11	C12	H8	1.6°	90.0°

Release date:	2018-06-06
Definition date:	2017-11-01
Last modified:	2018-06-01
Release status:	REL
Processing site:	PDBJ