EK0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL	C1	sing	1.74Å	1.74Å
C6	C1	doub	1.38Å	1.38Å	Aromatic
C6	C5	sing	1.38Å	1.39Å	Aromatic
C1	C2	sing	1.38Å	1.38Å	Aromatic
C5	C4	doub	1.39Å	1.39Å	Aromatic
C2	C3	doub	1.38Å	1.38Å	Aromatic
C4	C3	sing	1.39Å	1.39Å	Aromatic
C4	C7	sing	1.48Å	1.48Å
C7	N1	doub	1.32Å	1.34Å	Aromatic
C7	C9	sing	1.40Å	1.43Å	Aromatic
N1	N2	sing	1.40Å	1.36Å	Aromatic
C9	C10	sing	1.51Å	1.51Å
C9	C8	doub	1.36Å	1.39Å	Aromatic
C10	C11	sing	1.53Å	1.52Å
N2	C8	sing	1.35Å	1.39Å	Aromatic
C8	C13	sing	1.51Å	1.49Å
C12	C11	sing	1.53Å	1.52Å
C12	C13	sing	1.53Å	1.53Å
C6	H5	sing	1.08Å	1.08Å
C5	H4	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C10	H7	sing	1.09Å	1.10Å
C10	H6	sing	1.09Å	1.10Å
C11	H9	sing	1.09Å	1.10Å
C11	H8	sing	1.09Å	1.10Å
C12	H11	sing	1.09Å	1.10Å
C12	H10	sing	1.09Å	1.10Å
C13	H12	sing	1.09Å	1.10Å
C13	H13	sing	1.09Å	1.10Å
N2	H1	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL	C1	C6	119.4°	119.9°
CL	C1	C2	119.3°	119.9°
C1	C6	C5	119.1°	120.1°
C6	C1	C2	121.4°	120.2°
C1	C6	H5	120.5°	119.9°
C6	C5	C4	120.8°	119.9°
C5	C6	H5	120.5°	120.0°
C6	C5	H4	119.6°	120.1°
C1	C2	C3	119.1°	120.1°
C1	C2	H2	120.4°	119.9°
C5	C4	C3	118.7°	119.8°
C5	C4	C7	120.7°	120.1°
C4	C5	H4	119.6°	120.0°
C2	C3	C4	120.9°	119.9°
C2	C3	H3	119.6°	120.0°
C3	C2	H2	120.4°	120.0°
C3	C4	C7	120.6°	120.1°
C4	C3	H3	119.5°	120.1°
C4	C7	N1	121.5°	126.1°
C4	C7	C9	128.6°	126.1°
N1	C7	C9	109.8°	107.8°
C7	N1	N2	107.3°	108.2°
C7	C9	C10	132.9°	127.9°
C7	C9	C8	105.9°	107.9°
N1	N2	C8	110.4°	108.0°
N1	N2	H1	124.8°	126.0°
C10	C9	C8	121.2°	124.2°
C9	C10	C11	111.8°	108.4°
C9	C10	H7	108.9°	109.7°
C9	C10	H6	108.9°	109.7°
C9	C8	N2	106.5°	108.0°
C9	C8	C13	125.2°	124.1°
C10	C11	C12	112.0°	109.5°
C11	C10	H7	108.9°	109.7°
C11	C10	H6	108.9°	109.7°
C10	C11	H9	108.8°	109.5°
C10	C11	H8	108.8°	109.4°
N2	C8	C13	128.2°	127.9°
C8	N2	H1	124.8°	126.0°
C8	C13	C12	110.8°	108.4°
C8	C13	H12	109.1°	109.7°
C8	C13	H13	109.1°	109.7°
C11	C12	C13	111.7°	109.5°
C12	C11	H9	108.8°	109.5°
C12	C11	H8	108.8°	109.5°
C11	C12	H11	108.9°	109.5°
C11	C12	H10	108.9°	109.5°
C13	C12	H11	108.9°	109.5°
C13	C12	H10	108.9°	109.4°
C12	C13	H12	109.1°	109.7°
C12	C13	H13	109.1°	109.7°
H7	C10	H6	109.5°	109.7°
H9	C11	H8	109.4°	109.5°
H11	C12	H10	109.5°	109.5°
H12	C13	H13	109.5°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL	C1	C6	C2	179.0°	179.7°
CL	C1	C6	C5	178.6°	180.0°
CL	C1	C2	C3	178.3°	179.8°
CL	C1	C6	H5	1.3°	0.2°
CL	C1	C2	H2	1.6°	0.0°
C1	C6	C5	H5	180.0°	179.8°
C1	C6	C5	C4	0.1°	0.1°
C6	C1	C2	C3	0.6°	0.5°
C1	C6	C5	H4	179.9°	179.9°
C6	C1	C2	H2	179.4°	179.7°
C5	C6	C1	C2	0.3°	0.3°
C6	C5	C4	H4	180.0°	180.0°
C6	C5	C4	C3	0.2°	0.1°
C6	C5	C4	C7	179.8°	180.0°
C1	C2	C3	H2	180.0°	179.8°
C1	C2	C3	C4	0.5°	0.5°
C2	C1	C6	H5	179.7°	179.8°
C1	C2	C3	H3	179.5°	179.7°
C5	C4	C3	C2	0.1°	0.3°
C5	C4	C3	C7	179.6°	179.9°
C5	C4	C7	N1	133.5°	139.2°
C5	C4	C7	C9	43.2°	41.2°
C4	C5	C6	H5	179.9°	179.9°
C5	C4	C3	H3	179.9°	180.0°
C2	C3	C4	H3	180.0°	179.8°
C2	C3	C4	C7	179.5°	179.8°
C3	C4	C7	N1	46.1°	40.8°
C3	C4	C7	C9	137.2°	138.9°
C3	C4	C5	H4	179.8°	180.0°
C4	C3	C2	H2	179.5°	179.7°
C4	C7	N1	C9	177.3°	179.7°
C4	C7	N1	N2	176.3°	179.9°
C4	C7	C9	C10	4.3°	0.1°
C4	C7	C9	C8	175.9°	180.0°
C7	C4	C5	H4	0.2°	0.0°
C7	C4	C3	H3	0.5°	0.0°
N1	C7	C9	C10	178.6°	179.6°
N1	C7	C9	C8	1.1°	0.3°
C7	N1	N2	C8	0.5°	0.4°
C7	N1	N2	H1	179.5°	179.9°
C9	C7	N1	N2	1.0°	0.4°
C7	C9	C10	C8	179.7°	179.9°
C7	C9	C10	C11	165.2°	163.5°
C7	C9	C8	N2	0.7°	0.1°
C7	C9	C8	C13	178.4°	179.8°
C7	C9	C10	H7	44.8°	76.9°
C7	C9	C10	H6	74.5°	43.7°
N1	N2	C8	C9	0.2°	0.1°
N1	N2	C8	H1	180.0°	179.8°
N1	N2	C8	C13	178.9°	179.9°
C9	C10	C11	H7	120.3°	119.7°
C9	C10	C11	H6	120.3°	119.7°
C10	C9	C8	N2	179.0°	179.8°
C10	C9	C8	C13	1.8°	0.2°
C9	C10	C11	C12	45.4°	49.9°
C9	C10	H7	H6	118.9°	120.5°
C9	C10	C11	H9	75.0°	169.9°
C9	C10	C11	H8	165.8°	70.1°
C8	C9	C10	C11	14.5°	16.5°
C9	C8	N2	C13	179.1°	179.9°
C9	C8	C13	C12	12.7°	16.6°
C8	C9	C10	H7	134.9°	103.2°
C8	C9	C10	H6	105.8°	136.2°
C9	C8	C13	H12	132.9°	136.3°
C9	C8	C13	H13	107.5°	103.2°
C9	C8	N2	H1	179.8°	179.9°
C10	C11	C12	H9	120.4°	120.0°
C10	C11	C12	H8	120.4°	120.0°
C10	C11	C12	C13	61.8°	70.2°
C11	C10	H7	H6	119.0°	120.6°
C10	C11	H9	H8	118.8°	120.0°
C10	C11	C12	H11	177.8°	49.8°
C10	C11	C12	H10	58.5°	169.8°
N2	C8	C13	C12	166.3°	163.4°
N2	C8	C13	H12	46.1°	43.6°
N2	C8	C13	H13	73.5°	76.9°
C8	C13	C12	C11	43.2°	49.9°
C8	C13	C12	H12	120.2°	119.8°
C8	C13	C12	H13	120.2°	119.8°
C8	C13	C12	H11	163.6°	70.1°
C8	C13	C12	H10	77.1°	169.9°
C8	C13	H12	H13	119.4°	120.6°
C13	C8	N2	H1	1.1°	0.1°
C11	C12	C13	H11	120.3°	120.0°
C11	C12	C13	H10	120.3°	120.0°
C12	C11	C10	H7	165.8°	69.8°
C12	C11	C10	H6	74.9°	169.6°
C12	C11	H9	H8	118.8°	120.0°
C11	C12	H11	H10	119.0°	120.0°
C11	C12	C13	H12	163.4°	169.7°
C11	C12	C13	H13	77.0°	69.8°
C13	C12	C11	H9	58.6°	169.8°
C13	C12	C11	H8	177.8°	49.8°
C13	C12	H11	H10	119.0°	120.0°
C12	C13	H12	H13	119.4°	120.5°
H5	C6	C5	H4	0.2°	0.1°
H3	C3	C2	H2	0.5°	0.0°
H7	C10	C11	H9	45.4°	50.2°
H7	C10	C11	H8	73.8°	170.2°
H6	C10	C11	H9	164.7°	70.4°
H6	C10	C11	H8	45.5°	49.6°
H9	C11	C12	H11	61.8°	70.2°
H9	C11	C12	H10	178.9°	49.8°
H8	C11	C12	H11	57.4°	169.8°
H8	C11	C12	H10	61.9°	70.2°
H11	C12	C13	H12	76.2°	49.7°
H11	C12	C13	H13	43.4°	170.2°
H10	C12	C13	H12	43.1°	70.3°
H10	C12	C13	H13	162.7°	50.2°

Release date:	2012-09-14
Definition date:	2012-08-10
Last modified:	2012-09-14
Release status:	REL
Processing site:	RCSB
Derived from:	4G6N