EJQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C15	C14	sing	1.55Å	1.34Å
C15	N11	sing	1.49Å	1.63Å
C10	C08	sing	1.51Å	1.55Å
C10	N11	sing	1.47Å	1.47Å
N07	C08	sing	1.35Å	1.43Å
N07	C06	sing	1.40Å	1.46Å
C14	C13	sing	1.55Å	1.51Å
C08	O09	doub	1.21Å	1.19Å
C06	C05	doub	1.39Å	1.39Å	Aromatic
C06	C01	sing	1.39Å	1.41Å	Aromatic
C05	C04	sing	1.38Å	1.39Å	Aromatic
N11	C12	sing	1.48Å	1.28Å
C01	C02	doub	1.38Å	1.39Å	Aromatic
C04	C03	doub	1.38Å	1.41Å	Aromatic
C02	C03	sing	1.38Å	1.39Å	Aromatic
C03	F16	sing	1.35Å	1.37Å
C12	C13	sing	1.54Å	1.59Å
C10	H1	sing	1.09Å	1.10Å
C10	H2	sing	1.09Å	1.10Å
C13	H3	sing	1.09Å	1.10Å
C13	H4	sing	1.09Å	1.10Å
C15	H5	sing	1.09Å	1.10Å
C15	H6	sing	1.09Å	1.10Å
C01	H7	sing	1.08Å	1.08Å
C02	H8	sing	1.08Å	1.08Å
C04	H9	sing	1.08Å	1.08Å
C05	H10	sing	1.08Å	1.08Å
C12	H11	sing	1.09Å	1.10Å
C12	H12	sing	1.09Å	1.10Å
C14	H13	sing	1.09Å	1.10Å
C14	H14	sing	1.09Å	1.10Å
N07	H15	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C14	C15	N11	104.6°	103.2°
C15	C14	C13	105.9°	102.9°
C14	C15	H5	110.7°	110.7°
C14	C15	H6	110.7°	110.7°
C15	C14	H13	110.3°	110.7°
C15	C14	H14	110.4°	110.7°
C15	N11	C10	111.1°	111.0°
C15	N11	C12	105.4°	105.8°
N11	C15	H5	110.6°	110.8°
N11	C15	H6	110.6°	110.6°
C08	C10	N11	107.6°	109.5°
C10	C08	N07	119.9°	120.0°
C10	C08	O09	118.2°	120.0°
C08	C10	H1	109.9°	109.5°
C08	C10	H2	109.9°	109.5°
C10	N11	C12	111.0°	111.0°
N11	C10	H1	109.9°	109.5°
N11	C10	H2	109.9°	109.5°
C08	N07	C06	124.2°	120.0°
N07	C08	O09	121.9°	120.0°
C08	N07	H15	117.9°	120.0°
N07	C06	C05	117.8°	120.0°
N07	C06	C01	122.4°	120.1°
C06	N07	H15	117.9°	120.0°
C14	C13	C12	105.4°	105.2°
C14	C13	H3	110.5°	110.3°
C14	C13	H4	110.5°	110.3°
C13	C14	H13	110.4°	110.7°
C13	C14	H14	110.3°	110.8°
C05	C06	C01	119.8°	119.9°
C06	C05	C04	120.3°	119.9°
C06	C05	H10	119.8°	120.0°
C06	C01	C02	120.3°	120.0°
C06	C01	H7	119.9°	120.0°
C05	C04	C03	119.7°	120.0°
C05	C04	H9	120.2°	120.0°
C04	C05	H10	119.8°	120.0°
N11	C12	C13	104.0°	107.1°
N11	C12	H11	110.8°	110.0°
N11	C12	H12	110.8°	110.1°
C01	C02	C03	119.4°	120.0°
C02	C01	H7	119.9°	120.0°
C01	C02	H8	120.3°	120.0°
C04	C03	C02	120.5°	120.1°
C04	C03	F16	119.5°	120.0°
C03	C04	H9	120.2°	120.0°
C02	C03	F16	120.0°	120.0°
C03	C02	H8	120.3°	119.9°
C12	C13	H3	110.5°	110.3°
C12	C13	H4	110.5°	110.3°
C13	C12	H11	110.8°	109.9°
C13	C12	H12	110.8°	109.9°
H1	C10	H2	109.5°	109.4°
H3	C13	H4	109.4°	110.3°
H5	C15	H6	109.5°	110.7°
H11	C12	H12	109.5°	109.9°
H13	C14	H14	109.5°	110.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C14	C15	N11	H5	119.2°	118.5°
C14	C15	N11	H6	119.2°	118.4°
C14	C15	N11	C10	160.9°	159.7°
C15	C14	C13	H13	119.4°	118.4°
C15	C14	C13	H14	119.4°	118.4°
C14	C15	N11	C12	40.6°	39.1°
C15	C14	C13	C12	6.3°	21.9°
C15	C14	C13	H3	113.1°	140.8°
C15	C14	C13	H4	125.6°	97.0°
C14	C15	H5	H6	122.3°	123.1°
C15	C14	H13	H14	121.6°	123.2°
C15	N11	C10	C08	147.5°	170.0°
C15	N11	C10	C12	116.9°	117.4°
N11	C15	C14	C13	24.7°	37.3°
C15	N11	C12	C13	33.9°	25.3°
C15	N11	C10	H1	92.8°	70.0°
C15	N11	C10	H2	27.8°	49.9°
N11	C15	H5	H6	122.2°	123.0°
C15	N11	C12	H11	153.0°	94.1°
C15	N11	C12	H12	85.2°	144.7°
N11	C15	C14	H13	144.2°	81.0°
N11	C15	C14	H14	94.7°	155.8°
C08	C10	N11	H1	119.7°	120.0°
C08	C10	N11	H2	119.7°	120.0°
C10	C08	N07	O09	179.4°	180.0°
C10	C08	N07	C06	179.6°	175.4°
C08	C10	N11	C12	95.6°	72.6°
C08	C10	H1	H2	120.9°	120.0°
C10	C08	N07	H15	0.4°	4.6°
N11	C10	C08	N07	173.8°	180.0°
N11	C10	C08	O09	6.8°	0.0°
C10	N11	C12	C13	154.3°	145.8°
N11	C10	H1	H2	120.9°	120.0°
C10	N11	C15	H5	79.9°	81.8°
C10	N11	C15	H6	41.7°	41.3°
C10	N11	C12	H11	86.6°	26.5°
C10	N11	C12	H12	35.2°	94.7°
C08	N07	C06	H15	180.0°	180.0°
C08	N07	C06	C05	164.1°	144.9°
C08	N07	C06	C01	17.6°	35.6°
N07	C08	C10	H1	54.1°	60.0°
N07	C08	C10	H2	66.5°	60.0°
C06	N07	C08	O09	0.2°	4.6°
N07	C06	C05	C01	178.4°	179.5°
N07	C06	C05	C04	179.6°	180.0°
N07	C06	C01	C02	179.8°	180.0°
N07	C06	C01	H7	0.1°	0.3°
N07	C06	C05	H10	0.4°	0.2°
C14	C13	C12	N11	20.2°	1.3°
C14	C13	C12	H3	119.4°	118.9°
C14	C13	C12	H4	119.4°	118.9°
C14	C13	H3	H4	121.9°	122.1°
C13	C14	C15	H5	144.0°	155.9°
C13	C14	C15	H6	94.5°	81.0°
C14	C13	C12	H11	139.3°	118.1°
C14	C13	C12	H12	98.9°	120.8°
C13	C14	H13	H14	121.6°	123.3°
O09	C08	C10	H1	126.5°	120.0°
O09	C08	C10	H2	112.9°	120.0°
O09	C08	N07	H15	179.8°	175.4°
C06	C05	C04	H10	180.0°	179.8°
C05	C06	C01	C02	1.5°	0.5°
C06	C05	C04	C03	0.4°	0.3°
C05	C06	C01	H7	178.4°	179.8°
C06	C05	C04	H9	179.6°	179.8°
C05	C06	N07	H15	15.9°	35.0°
C01	C06	C05	C04	1.2°	0.5°
C06	C01	C02	H7	180.0°	179.7°
C06	C01	C02	C03	1.1°	0.2°
C06	C01	C02	H8	178.9°	179.8°
C01	C06	C05	H10	178.8°	179.7°
C01	C06	N07	H15	162.4°	144.5°
C05	C04	C03	H9	180.0°	180.0°
C05	C04	C03	C02	0.1°	0.0°
C05	C04	C03	F16	180.0°	180.0°
N11	C12	C13	H11	119.1°	119.4°
N11	C12	C13	H12	119.1°	119.6°
C12	N11	C10	H1	24.1°	47.5°
C12	N11	C10	H2	144.7°	167.4°
N11	C12	C13	H3	139.6°	117.6°
N11	C12	C13	H4	99.2°	120.2°
C12	N11	C15	H5	159.8°	157.7°
C12	N11	C15	H6	78.6°	79.3°
N11	C12	H11	H12	122.5°	121.4°
C01	C02	C03	C04	0.2°	0.0°
C01	C02	C03	H8	180.0°	180.0°
C01	C02	C03	F16	179.6°	180.0°
C04	C03	C02	F16	179.9°	179.9°
C04	C03	C02	H8	179.7°	180.0°
C03	C04	C05	H10	179.6°	180.0°
C03	C02	C01	H7	178.9°	179.9°
C02	C03	C04	H9	179.9°	179.9°
F16	C03	C02	H8	0.4°	0.0°
F16	C03	C04	H9	0.0°	0.0°
C12	C13	H3	H4	121.9°	122.2°
C13	C12	H11	H12	122.6°	121.0°
C12	C13	C14	H13	125.7°	96.4°
C12	C13	C14	H14	113.1°	140.3°
H3	C13	C12	H11	101.4°	123.0°
H3	C13	C12	H12	20.5°	1.9°
H3	C13	C14	H13	6.3°	22.5°
H3	C13	C14	H14	127.5°	100.8°
H4	C13	C12	H11	19.9°	0.8°
H4	C13	C12	H12	141.7°	120.2°
H4	C13	C14	H13	114.9°	144.6°
H4	C13	C14	H14	6.2°	21.4°
H5	C15	C14	H13	96.6°	37.6°
H5	C15	C14	H14	24.5°	85.6°
H6	C15	C14	H13	25.0°	160.7°
H6	C15	C14	H14	146.1°	37.5°
H7	C01	C02	H8	1.1°	0.0°
H9	C04	C05	H10	0.4°	0.0°

Release date:	2019-04-10
Definition date:	2018-03-23
Last modified:	2019-04-05
Release status:	REL
Processing site:	EBI
Derived from:	6G2X