ELQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O09	C08	doub	1.22Å	0.00Å
C11	C12	doub	1.38Å	0.00Å	Aromatic
C11	C10	sing	1.40Å	0.00Å	Aromatic
C08	C10	sing	1.48Å	0.00Å
C08	N05	sing	1.35Å	0.00Å
C12	C13	sing	1.39Å	0.00Å	Aromatic
C03	C04	sing	1.53Å	0.00Å
C03	N02	sing	1.47Å	0.00Å
C10	C15	doub	1.40Å	0.00Å	Aromatic
C13	F17	sing	1.35Å	0.00Å
C13	C14	doub	1.39Å	0.00Å	Aromatic
C04	N05	sing	1.47Å	0.00Å
C15	C14	sing	1.38Å	0.00Å	Aromatic
N05	C06	sing	1.47Å	0.00Å
C14	F16	sing	1.35Å	0.00Å
C07	N02	sing	1.47Å	0.00Å
C07	C06	sing	1.53Å	0.00Å
N02	C01	sing	1.47Å	0.00Å
C15	H1	sing	1.08Å	0.00Å
C01	H2	sing	1.09Å	0.00Å
C01	H3	sing	1.09Å	0.00Å
C01	H4	sing	1.09Å	0.00Å
C03	H5	sing	1.09Å	0.00Å
C03	H6	sing	1.09Å	0.00Å
C04	H7	sing	1.09Å	0.00Å
C04	H8	sing	1.09Å	0.00Å
C06	H9	sing	1.09Å	0.00Å
C06	H10	sing	1.09Å	0.00Å
C07	H11	sing	1.09Å	0.00Å
C07	H12	sing	1.09Å	0.00Å
C11	H13	sing	1.08Å	0.00Å
C12	H14	sing	1.08Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O09	C08	C10	90.0°	120.0°
O09	C08	N05	90.0°	120.1°
C12	C11	C10	90.0°	119.9°
C11	C12	C13	90.0°	120.2°
C12	C11	H13	90.0°	120.0°
C11	C12	H14	90.0°	119.9°
C11	C10	C08	90.0°	120.1°
C11	C10	C15	90.0°	119.8°
C10	C11	H13	90.0°	120.1°
C10	C08	N05	90.0°	120.0°
C08	C10	C15	90.0°	120.1°
C08	N05	C04	90.0°	120.9°
C08	N05	C06	90.0°	120.9°
C12	C13	F17	90.0°	119.9°
C12	C13	C14	90.0°	120.2°
C13	C12	H14	90.0°	120.0°
C04	C03	N02	90.0°	109.4°
C03	C04	N05	90.0°	108.5°
C04	C03	H5	90.0°	109.5°
C04	C03	H6	90.0°	109.5°
C03	C04	H7	90.0°	109.7°
C03	C04	H8	90.0°	109.7°
C03	N02	C07	90.0°	111.2°
C03	N02	C01	90.0°	111.0°
N02	C03	H5	90.0°	109.5°
N02	C03	H6	90.0°	109.5°
C10	C15	C14	90.0°	119.8°
C10	C15	H1	90.0°	120.0°
F17	C13	C14	90.0°	119.9°
C13	C14	C15	90.0°	120.1°
C13	C14	F16	90.0°	119.9°
C04	N05	C06	90.0°	118.2°
N05	C04	H7	90.0°	109.6°
N05	C04	H8	90.0°	109.6°
C15	C14	F16	90.0°	119.9°
C14	C15	H1	90.0°	120.1°
N05	C06	C07	90.0°	108.5°
N05	C06	H9	90.0°	109.6°
N05	C06	H10	90.0°	109.8°
N02	C07	C06	90.0°	109.3°
C07	N02	C01	90.0°	111.0°
N02	C07	H11	90.0°	109.4°
N02	C07	H12	90.0°	109.5°
C07	C06	H9	90.0°	109.6°
C07	C06	H10	90.0°	109.7°
C06	C07	H11	90.0°	109.5°
C06	C07	H12	90.0°	109.5°
N02	C01	H2	90.0°	109.5°
N02	C01	H3	90.0°	109.4°
N02	C01	H4	90.0°	109.5°
H2	C01	H3	90.0°	109.5°
H2	C01	H4	90.0°	109.5°
H3	C01	H4	90.0°	109.5°
H5	C03	H6	90.0°	109.5°
H7	C04	H8	90.0°	109.8°
H9	C06	H10	90.0°	109.6°
H11	C07	H12	90.0°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O09	C08	C10	C11	90.0°	140.7°
O09	C08	C10	N05	90.0°	179.9°
O09	C08	C10	C15	90.0°	39.1°
O09	C08	N05	C04	90.0°	5.7°
O09	C08	N05	C06	90.0°	174.2°
C12	C11	C10	H13	90.0°	180.0°
C12	C11	C10	C08	90.0°	179.7°
C11	C12	C13	H14	90.0°	180.0°
C12	C11	C10	C15	90.0°	0.0°
C11	C12	C13	F17	90.0°	179.7°
C11	C12	C13	C14	90.0°	0.3°
C11	C10	C08	C15	90.0°	179.7°
C11	C10	C08	N05	90.0°	39.3°
C10	C11	C12	C13	90.0°	0.0°
C11	C10	C15	C14	90.0°	0.3°
C11	C10	C15	H1	90.0°	179.7°
C10	C11	C12	H14	90.0°	180.0°
C10	C08	N05	C04	90.0°	174.2°
C08	C10	C15	C14	90.0°	180.0°
C10	C08	N05	C06	90.0°	5.8°
C08	C10	C15	H1	90.0°	0.1°
C08	C10	C11	H13	90.0°	0.3°
C08	N05	C04	C03	90.0°	128.8°
N05	C08	C10	C15	90.0°	141.0°
C08	N05	C04	C06	90.0°	180.0°
C08	N05	C06	C07	90.0°	128.8°
C08	N05	C04	H7	90.0°	111.5°
C08	N05	C04	H8	90.0°	9.0°
C08	N05	C06	H9	90.0°	9.1°
C08	N05	C06	H10	90.0°	111.4°
C12	C13	F17	C14	90.0°	179.4°
C12	C13	C14	C15	90.0°	0.5°
C12	C13	C14	F16	90.0°	180.0°
C13	C12	C11	H13	90.0°	180.0°
C04	C03	N02	H5	90.0°	120.0°
C04	C03	N02	H6	90.0°	120.0°
C03	C04	N05	H7	90.0°	119.7°
C03	C04	N05	H8	90.0°	119.7°
C03	C04	N05	C06	90.0°	51.2°
C04	C03	N02	C07	90.0°	63.1°
C04	C03	N02	C01	90.0°	172.8°
C04	C03	H5	H6	90.0°	120.1°
C03	C04	H7	H8	90.0°	120.5°
N02	C03	C04	N05	90.0°	53.8°
C03	N02	C07	C01	90.0°	124.1°
C03	N02	C07	C06	90.0°	63.1°
C03	N02	C01	H2	90.0°	60.0°
C03	N02	C01	H3	90.0°	180.0°
C03	N02	C01	H4	90.0°	60.0°
N02	C03	H5	H6	90.0°	120.0°
N02	C03	C04	H7	90.0°	65.9°
N02	C03	C04	H8	90.0°	173.5°
C03	N02	C07	H11	90.0°	177.0°
C03	N02	C07	H12	90.0°	56.9°
C10	C15	C14	C13	90.0°	0.5°
C10	C15	C14	H1	90.0°	179.9°
C10	C15	C14	F16	90.0°	180.0°
C15	C10	C11	H13	90.0°	180.0°
F17	C13	C14	C15	90.0°	180.0°
F17	C13	C14	F16	90.0°	0.6°
F17	C13	C12	H14	90.0°	0.3°
C13	C14	C15	F16	90.0°	179.5°
C13	C14	C15	H1	90.0°	179.4°
C14	C13	C12	H14	90.0°	179.7°
C04	N05	C06	C07	90.0°	51.2°
N05	C04	C03	H5	90.0°	66.1°
N05	C04	C03	H6	90.0°	173.8°
N05	C04	H7	H8	90.0°	120.4°
C04	N05	C06	H9	90.0°	170.8°
C04	N05	C06	H10	90.0°	68.7°
N05	C06	C07	N02	90.0°	53.9°
N05	C06	C07	H9	90.0°	119.7°
N05	C06	C07	H10	90.0°	119.9°
C06	N05	C04	H7	90.0°	68.6°
C06	N05	C04	H8	90.0°	170.9°
N05	C06	H9	H10	90.0°	120.6°
N05	C06	C07	H11	90.0°	173.8°
N05	C06	C07	H12	90.0°	66.1°
F16	C14	C15	H1	90.0°	0.1°
N02	C07	C06	H11	90.0°	119.9°
N02	C07	C06	H12	90.0°	120.0°
C07	N02	C01	H2	90.0°	175.7°
C07	N02	C01	H3	90.0°	55.7°
C07	N02	C01	H4	90.0°	64.2°
C07	N02	C03	H5	90.0°	56.9°
C07	N02	C03	H6	90.0°	176.9°
N02	C07	C06	H9	90.0°	173.6°
N02	C07	C06	H10	90.0°	66.0°
N02	C07	H11	H12	90.0°	120.1°
C06	C07	N02	C01	90.0°	172.8°
C07	C06	H9	H10	90.0°	120.4°
C06	C07	H11	H12	90.0°	120.1°
N02	C01	H2	H3	90.0°	119.9°
N02	C01	H2	H4	90.0°	120.0°
N02	C01	H3	H4	90.0°	120.0°
C01	N02	C03	H5	90.0°	67.2°
C01	N02	C03	H6	90.0°	52.8°
C01	N02	C07	H11	90.0°	52.9°
C01	N02	C07	H12	90.0°	67.3°
H2	C01	H3	H4	90.0°	120.0°
H5	C03	C04	H7	90.0°	174.2°
H5	C03	C04	H8	90.0°	53.6°
H6	C03	C04	H7	90.0°	54.1°
H6	C03	C04	H8	90.0°	66.5°
H9	C06	C07	H11	90.0°	66.6°
H9	C06	C07	H12	90.0°	53.6°
H10	C06	C07	H11	90.0°	53.8°
H10	C06	C07	H12	90.0°	174.0°
H13	C11	C12	H14	90.0°	0.0°

Release date:	2018-12-19
Definition date:	2018-03-27
Last modified:	2018-12-14
Release status:	REL
Processing site:	EBI