9W8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O05	C04	doub	1.22Å	1.23Å
C11	N10	sing	1.47Å	1.47Å
C11	C12	sing	1.53Å	1.52Å
C09	N10	sing	1.47Å	1.47Å
C09	C08	sing	1.53Å	1.53Å
C04	C03	sing	1.41Å	1.44Å
C04	C06	sing	1.41Å	1.46Å
N10	C13	sing	1.38Å	1.36Å
C07	C12	sing	1.53Å	1.53Å
C07	C08	sing	1.53Å	1.54Å
C07	C06	sing	1.51Å	1.53Å
C03	C02	doub	1.35Å	1.36Å
C13	N18	doub	1.33Å	1.35Å	Aromatic
C13	N14	sing	1.33Å	1.35Å	Aromatic
N18	C17	sing	1.32Å	1.35Å	Aromatic
C06	C19	doub	1.35Å	1.36Å
N14	C15	doub	1.32Å	1.35Å	Aromatic
C17	C16	doub	1.39Å	1.38Å	Aromatic
C02	C01	sing	1.51Å	1.49Å
C02	N21	sing	1.36Å	1.37Å
C19	N21	sing	1.36Å	1.40Å
C19	C20	sing	1.51Å	1.50Å
C15	C16	sing	1.39Å	1.38Å	Aromatic
C15	H1	sing	1.08Å	1.08Å
C17	H2	sing	1.08Å	1.08Å
C20	H3	sing	1.09Å	1.10Å
C20	H4	sing	1.09Å	1.10Å
C20	H5	sing	1.09Å	1.10Å
C01	H6	sing	1.09Å	1.10Å
C01	H7	sing	1.09Å	1.10Å
C01	H8	sing	1.09Å	1.10Å
C03	H9	sing	1.08Å	1.08Å
C07	H11	sing	1.09Å	1.10Å
C08	H12	sing	1.09Å	1.10Å
C08	H13	sing	1.09Å	1.10Å
C09	H14	sing	1.09Å	1.10Å
C09	H15	sing	1.09Å	1.10Å
C11	H16	sing	1.09Å	1.10Å
C11	H17	sing	1.09Å	1.10Å
C12	H18	sing	1.09Å	1.10Å
C12	H19	sing	1.09Å	1.10Å
C16	H20	sing	1.08Å	1.08Å
N21	H10	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O05	C04	C03	120.4°	120.7°
O05	C04	C06	121.2°	120.7°
N10	C11	C12	110.6°	109.5°
C11	N10	C09	112.0°	111.2°
C11	N10	C13	122.2°	111.0°
N10	C11	H16	109.2°	109.4°
N10	C11	H17	109.2°	109.5°
C11	C12	C07	109.1°	109.3°
C12	C11	H16	109.2°	109.5°
C12	C11	H17	109.2°	109.5°
C11	C12	H18	109.5°	109.5°
C11	C12	H19	109.6°	109.5°
N10	C09	C08	111.4°	109.6°
C09	N10	C13	123.0°	111.0°
N10	C09	H14	109.0°	109.4°
N10	C09	H15	109.0°	109.4°
C09	C08	C07	110.8°	109.3°
C09	C08	H12	109.1°	109.5°
C09	C08	H13	109.2°	109.5°
C08	C09	H14	109.0°	109.5°
C08	C09	H15	109.0°	109.5°
C03	C04	C06	118.3°	118.6°
C04	C03	C02	120.8°	119.3°
C04	C03	H9	119.6°	120.4°
C04	C06	C07	116.1°	120.4°
C04	C06	C19	118.7°	119.2°
N10	C13	N18	116.8°	119.2°
N10	C13	N14	116.9°	119.2°
C12	C07	C08	111.1°	109.1°
C12	C07	C06	113.7°	109.5°
C12	C07	H11	105.5°	109.5°
C07	C12	H18	109.6°	109.5°
C07	C12	H19	109.6°	109.5°
C08	C07	C06	114.6°	109.5°
C08	C07	H11	105.4°	109.5°
C07	C08	H12	109.2°	109.5°
C07	C08	H13	109.1°	109.5°
C07	C06	C19	125.2°	120.4°
C06	C07	H11	105.5°	109.6°
C03	C02	C01	124.2°	119.7°
C03	C02	N21	118.9°	120.7°
C02	C03	H9	119.6°	120.4°
N18	C13	N14	126.3°	121.6°
C13	N18	C17	115.4°	120.7°
C13	N14	C15	115.4°	120.7°
N18	C17	C16	123.6°	119.2°
N18	C17	H2	118.2°	120.4°
C06	C19	N21	119.9°	120.7°
C06	C19	C20	127.9°	119.7°
N14	C15	C16	123.4°	119.2°
N14	C15	H1	118.3°	120.3°
C17	C16	C15	115.9°	118.6°
C16	C17	H2	118.2°	120.4°
C17	C16	H20	122.1°	120.7°
C01	C02	N21	116.9°	119.6°
C02	C01	H6	109.5°	109.5°
C02	C01	H7	109.5°	109.5°
C02	C01	H8	109.5°	109.5°
C02	N21	C19	123.4°	121.5°
C02	N21	H10	118.3°	119.2°
N21	C19	C20	112.2°	119.6°
C19	N21	H10	118.3°	119.3°
C19	C20	H3	109.5°	109.5°
C19	C20	H4	109.4°	109.5°
C19	C20	H5	109.4°	109.5°
C16	C15	H1	118.3°	120.4°
C15	C16	H20	122.1°	120.8°
H3	C20	H4	109.5°	109.5°
H3	C20	H5	109.5°	109.5°
H4	C20	H5	109.5°	109.5°
H6	C01	H7	109.4°	109.4°
H6	C01	H8	109.5°	109.5°
H7	C01	H8	109.5°	109.4°
H12	C08	H13	109.5°	109.5°
H14	C09	H15	109.5°	109.4°
H16	C11	H17	109.5°	109.5°
H18	C12	H19	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O05	C04	C03	C06	180.0°	180.0°
O05	C04	C06	C07	0.1°	0.0°
O05	C04	C03	C02	179.9°	180.0°
O05	C04	C06	C19	179.7°	180.0°
O05	C04	C03	H9	0.1°	0.0°
N10	C11	C12	H16	120.2°	120.0°
N10	C11	C12	H17	120.1°	120.0°
C11	N10	C09	C13	161.4°	124.2°
C11	N10	C09	C08	57.5°	61.7°
N10	C11	C12	C07	59.2°	59.2°
C11	N10	C13	N18	24.5°	55.7°
C11	N10	C13	N14	155.5°	124.5°
C11	N10	C09	H14	62.8°	58.3°
C11	N10	C09	H15	177.8°	178.2°
N10	C11	H16	H17	119.5°	120.0°
N10	C11	C12	H18	60.7°	60.8°
N10	C11	C12	H19	179.2°	179.1°
C12	C11	N10	C09	61.1°	61.7°
C12	C11	N10	C13	100.4°	174.2°
C11	C12	C07	H18	119.9°	120.0°
C11	C12	C07	H19	120.0°	119.9°
C11	C12	C07	C08	55.4°	57.7°
C11	C12	C07	C06	173.5°	62.2°
C11	C12	C07	H11	58.4°	177.5°
C12	C11	H16	H17	119.5°	120.0°
C11	C12	H18	H19	120.2°	120.0°
N10	C09	C08	H14	120.3°	120.0°
N10	C09	C08	H15	120.3°	120.0°
N10	C09	C08	C07	52.6°	59.2°
C09	N10	C13	N18	176.0°	180.0°
C09	N10	C13	N14	4.0°	0.2°
N10	C09	C08	H12	172.8°	179.1°
N10	C09	C08	H13	67.5°	60.8°
N10	C09	H14	H15	119.1°	119.9°
C09	N10	C11	H16	178.7°	58.3°
C09	N10	C11	H17	59.0°	178.3°
C08	C09	N10	C13	103.9°	174.2°
C09	C08	C07	C12	52.5°	57.7°
C09	C08	C07	H12	120.2°	119.9°
C09	C08	C07	H13	120.2°	120.0°
C09	C08	C07	C06	176.9°	62.2°
C09	C08	C07	H11	61.4°	177.5°
C09	C08	H12	H13	119.4°	120.1°
C08	C09	H14	H15	119.1°	120.1°
C03	C04	C06	C07	179.9°	180.0°
C04	C03	C02	H9	180.0°	180.0°
C03	C04	C06	C19	0.3°	0.0°
C04	C03	C02	C01	180.0°	180.0°
C04	C03	C02	N21	0.1°	0.3°
C04	C06	C07	C12	100.7°	127.2°
C04	C06	C07	C08	129.9°	7.5°
C04	C06	C07	C19	179.6°	180.0°
C06	C04	C03	C02	0.1°	0.0°
C04	C06	C19	N21	0.2°	0.3°
C04	C06	C19	C20	179.9°	180.0°
C06	C04	C03	H9	179.9°	180.0°
C04	C06	C07	H11	14.4°	112.6°
N10	C13	N18	N14	180.0°	179.8°
N10	C13	N18	C17	180.0°	179.7°
N10	C13	N14	C15	180.0°	179.7°
C13	N10	C09	H14	135.9°	65.8°
C13	N10	C09	H15	16.4°	54.1°
C13	N10	C11	H16	19.8°	65.9°
C13	N10	C11	H17	139.4°	54.1°
C12	C07	C08	C06	130.7°	119.9°
C12	C07	C08	H11	113.8°	119.8°
C12	C07	C06	H11	115.1°	120.2°
C12	C07	C06	C19	78.9°	52.8°
C12	C07	C08	H12	172.6°	177.6°
C12	C07	C08	H13	67.7°	62.3°
C07	C12	C11	H16	179.4°	60.8°
C07	C12	C11	H17	60.9°	179.2°
C07	C12	H18	H19	120.2°	120.1°
C08	C07	C06	H11	115.5°	120.2°
C08	C07	C06	C19	50.5°	172.5°
C07	C08	H12	H13	119.4°	120.1°
C07	C08	C09	H14	67.7°	60.8°
C07	C08	C09	H15	172.9°	179.2°
C08	C07	C12	H18	64.5°	62.3°
C08	C07	C12	H19	175.3°	177.6°
C07	C06	C19	N21	179.8°	179.7°
C07	C06	C19	C20	0.3°	0.0°
C06	C07	C08	H12	56.7°	57.7°
C06	C07	C08	H13	62.9°	177.8°
C06	C07	C12	H18	66.6°	177.8°
C06	C07	C12	H19	53.5°	57.7°
C03	C02	C01	N21	179.9°	179.7°
C03	C02	N21	C19	0.1°	0.6°
C03	C02	C01	H6	180.0°	89.7°
C03	C02	C01	H7	60.0°	30.3°
C03	C02	C01	H8	60.0°	150.2°
C03	C02	N21	H10	179.9°	179.6°
N18	C13	N14	C15	0.0°	0.0°
C13	N18	C17	C16	0.1°	0.1°
C13	N18	C17	H2	179.9°	180.0°
N14	C13	N18	C17	0.0°	0.1°
C13	N14	C15	C16	0.1°	0.0°
C13	N14	C15	H1	180.0°	180.0°
N18	C17	C16	H2	180.0°	179.9°
N18	C17	C16	C15	0.2°	0.0°
N18	C17	C16	H20	179.8°	179.9°
C06	C19	N21	C02	0.0°	0.6°
C06	C19	N21	C20	179.8°	179.7°
C06	C19	C20	H3	180.0°	154.7°
C06	C19	C20	H4	60.0°	85.3°
C06	C19	C20	H5	60.0°	34.7°
C19	C06	C07	H11	165.9°	67.3°
C06	C19	N21	H10	180.0°	179.6°
N14	C15	C16	C17	0.2°	0.0°
N14	C15	C16	H1	180.0°	180.0°
N14	C15	C16	H20	179.9°	180.0°
C17	C16	C15	H20	180.0°	180.0°
C17	C16	C15	H1	179.9°	180.0°
C01	C02	N21	C19	180.0°	179.7°
C02	C01	H6	H7	120.0°	120.0°
C02	C01	H6	H8	120.0°	120.1°
C02	C01	H7	H8	120.0°	120.0°
C01	C02	C03	H9	0.0°	0.0°
C01	C02	N21	H10	0.0°	0.1°
C02	N21	C19	H10	180.0°	179.8°
C02	N21	C19	C20	179.9°	179.7°
N21	C02	C01	H6	0.1°	90.0°
N21	C02	C01	H7	119.9°	150.0°
N21	C02	C01	H8	120.1°	30.1°
N21	C02	C03	H9	179.9°	179.7°
N21	C19	C20	H3	0.2°	25.0°
N21	C19	C20	H4	119.9°	95.0°
N21	C19	C20	H5	120.2°	145.0°
C19	C20	H3	H4	120.0°	120.0°
C19	C20	H3	H5	120.0°	120.0°
C19	C20	H4	H5	119.9°	120.0°
C20	C19	N21	H10	0.1°	0.1°
C15	C16	C17	H2	179.8°	180.0°
H1	C15	C16	H20	0.1°	0.0°
H2	C17	C16	H20	0.2°	0.0°
H3	C20	H4	H5	120.0°	120.0°
H6	C01	H7	H8	120.0°	120.0°
H11	C07	C08	H12	58.8°	62.6°
H11	C07	C08	H13	178.4°	57.5°
H11	C07	C12	H18	178.3°	57.6°
H11	C07	C12	H19	61.6°	62.5°
H12	C08	C09	H14	52.5°	59.1°
H12	C08	C09	H15	66.9°	60.9°
H13	C08	C09	H14	172.2°	179.2°
H13	C08	C09	H15	52.7°	59.2°
H16	C11	C12	H18	59.5°	179.2°
H16	C11	C12	H19	60.6°	59.2°
H17	C11	C12	H18	179.2°	59.2°
H17	C11	C12	H19	59.1°	60.8°

Release date:	2018-02-14
Definition date:	2017-07-19
Last modified:	2018-02-09
Release status:	REL
Processing site:	EBI
Derived from:	5OIR