VIL

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N15	C06	sing	1.47Å	1.41Å
C13	C12	doub	1.38Å	1.38Å	Aromatic
C13	C08	sing	1.39Å	1.37Å	Aromatic
C12	C11	sing	1.38Å	1.39Å	Aromatic
C06	N05	sing	1.46Å	1.40Å
C06	N07	sing	1.47Å	1.44Å
N05	C04	doub	1.30Å	1.40Å
C08	N07	sing	1.40Å	1.44Å
C08	C09	doub	1.39Å	1.39Å	Aromatic
C01	C02	sing	1.53Å	1.56Å
N07	C02	sing	1.47Å	1.45Å
C11	CL14	sing	1.74Å	1.77Å
C11	C10	doub	1.38Å	1.38Å	Aromatic
C04	N16	sing	1.37Å	1.40Å
C04	N03	sing	1.38Å	1.44Å
C09	C10	sing	1.38Å	1.38Å	Aromatic
C02	N03	sing	1.47Å	1.42Å
C02	C17	sing	1.53Å	1.52Å
C01	H1	sing	1.09Å	1.10Å
C01	H2	sing	1.09Å	1.10Å
C01	H3	sing	1.09Å	1.10Å
C06	H4	sing	1.09Å	1.10Å
C09	H5	sing	1.08Å	1.08Å
C10	H6	sing	1.08Å	1.08Å
C12	H7	sing	1.08Å	1.08Å
C13	H8	sing	1.08Å	1.08Å
C17	H9	sing	1.09Å	1.10Å
C17	H10	sing	1.09Å	1.10Å
C17	H11	sing	1.09Å	1.10Å
N03	H12	sing	0.97Å	1.00Å
N15	H13	sing	1.01Å	1.00Å
N15	H14	sing	1.01Å	1.00Å
N16	H16	sing	0.97Å	1.00Å
N16	H17	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N15	C06	N05	117.2°	109.2°
N15	C06	N07	120.4°	109.3°
N15	C06	H4	90.2°	109.1°
C06	N15	H13	109.5°	111.0°
C06	N15	H14	109.4°	111.0°
C12	C13	C08	117.0°	119.9°
C13	C12	C11	120.7°	120.0°
C13	C12	H7	119.6°	119.9°
C12	C13	H8	121.5°	120.0°
C13	C08	N07	128.1°	120.1°
C13	C08	C09	122.0°	119.9°
C08	C13	H8	121.5°	120.1°
C12	C11	CL14	120.4°	119.9°
C12	C11	C10	122.6°	120.1°
C11	C12	H7	119.7°	120.0°
N05	C06	N07	122.3°	110.8°
C06	N05	C04	118.2°	123.0°
N05	C06	H4	90.2°	109.2°
C06	N07	C08	118.4°	111.0°
C06	N07	C02	119.1°	110.3°
N07	C06	H4	90.2°	109.2°
N05	C04	N16	116.5°	119.5°
N05	C04	N03	120.6°	121.1°
N07	C08	C09	109.8°	120.1°
C08	N07	C02	122.4°	111.0°
C08	C09	C10	121.2°	120.0°
C08	C09	H5	119.4°	120.0°
C01	C02	N07	102.5°	109.9°
C01	C02	N03	100.1°	109.8°
C01	C02	C17	110.7°	109.9°
C02	C01	H1	109.5°	109.5°
C02	C01	H2	109.5°	109.4°
C02	C01	H3	109.5°	109.5°
N07	C02	N03	116.3°	107.4°
N07	C02	C17	115.4°	109.9°
CL14	C11	C10	117.0°	119.9°
C11	C10	C09	116.5°	120.0°
C11	C10	H6	121.8°	119.9°
N16	C04	N03	122.8°	119.4°
C04	N16	H16	120.0°	120.1°
C04	N16	H17	120.0°	120.0°
C04	N03	C02	121.4°	118.2°
C04	N03	H12	119.3°	120.9°
C10	C09	H5	119.4°	120.0°
C09	C10	H6	121.7°	120.0°
N03	C02	C17	110.4°	109.8°
C02	N03	H12	119.3°	120.9°
C02	C17	H9	109.5°	109.5°
C02	C17	H10	109.5°	109.5°
C02	C17	H11	109.5°	109.5°
H1	C01	H2	109.5°	109.4°
H1	C01	H3	109.5°	109.5°
H2	C01	H3	109.4°	109.5°
H9	C17	H10	109.5°	109.5°
H9	C17	H11	109.5°	109.4°
H10	C17	H11	109.5°	109.5°
H13	N15	H14	109.5°	111.0°
H16	N16	H17	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N15	C06	N05	N07	179.3°	120.4°
N15	C06	N05	H4	90.3°	119.2°
N15	C06	N07	H4	90.3°	119.3°
N15	C06	N05	C04	175.7°	141.0°
N15	C06	N07	C08	3.0°	65.4°
N15	C06	N07	C02	175.6°	171.2°
C06	N15	H13	H14	120.0°	123.9°
C12	C13	C08	H8	180.0°	179.4°
C13	C12	C11	H7	180.0°	179.6°
C12	C13	C08	N07	179.3°	179.6°
C12	C13	C08	C09	0.8°	0.6°
C13	C12	C11	CL14	179.6°	179.7°
C13	C12	C11	C10	0.5°	0.3°
C08	C13	C12	C11	0.2°	0.6°
C13	C08	N07	C06	97.2°	141.7°
C13	C08	N07	C09	179.9°	179.8°
C13	C08	N07	C02	81.4°	95.3°
C13	C08	C09	C10	0.6°	0.2°
C13	C08	C09	H5	179.3°	179.8°
C08	C13	C12	H7	179.8°	179.7°
C12	C11	CL14	C10	179.9°	180.0°
C12	C11	C10	C09	0.7°	0.0°
C12	C11	C10	H6	179.3°	179.9°
C11	C12	C13	H8	179.8°	180.0°
N05	C06	N07	H4	90.4°	120.3°
N05	C06	N07	C08	177.7°	174.3°
N05	C06	N07	C02	3.6°	50.8°
C06	N05	C04	N16	175.6°	179.1°
C06	N05	C04	N03	2.7°	0.9°
N05	C06	N15	H13	180.0°	60.0°
N05	C06	N15	H14	60.0°	64.0°
N07	C06	N05	C04	5.0°	20.6°
C06	N07	C08	C02	178.6°	123.0°
C06	N07	C08	C09	82.9°	38.1°
C06	N07	C02	C01	93.9°	179.9°
C06	N07	C02	N03	14.1°	60.7°
C06	N07	C02	C17	145.7°	58.8°
N07	C06	N15	H13	0.7°	178.7°
N07	C06	N15	H14	120.7°	57.3°
N05	C04	N16	N03	178.2°	180.0°
N05	C04	N03	C02	8.6°	12.4°
C04	N05	C06	H4	85.4°	99.7°
N05	C04	N03	H12	171.5°	167.7°
N05	C04	N16	H16	0.0°	180.0°
N05	C04	N16	H17	180.0°	0.1°
C08	N07	C02	C01	84.7°	56.4°
N07	C08	C09	C10	179.5°	180.0°
C08	N07	C02	N03	167.3°	175.9°
C08	N07	C02	C17	35.7°	64.7°
C08	N07	C06	H4	87.3°	53.9°
N07	C08	C09	H5	0.6°	0.0°
N07	C08	C13	H8	0.7°	0.3°
C09	C08	N07	C02	98.5°	84.9°
C08	C09	C10	C11	0.1°	0.1°
C08	C09	C10	H5	180.0°	180.0°
C08	C09	C10	H6	179.9°	180.0°
C09	C08	C13	H8	179.2°	179.9°
C01	C02	N07	N03	108.0°	119.5°
C01	C02	N07	C17	120.4°	121.1°
C01	C02	N03	C04	92.7°	161.3°
C01	C02	N03	C17	116.7°	121.0°
C02	C01	H1	H2	120.0°	120.0°
C02	C01	H1	H3	120.0°	120.1°
C02	C01	H2	H3	120.0°	120.0°
C01	C02	C17	H9	180.0°	65.6°
C01	C02	C17	H10	60.0°	174.4°
C01	C02	C17	H11	60.0°	54.3°
C01	C02	N03	H12	87.2°	18.8°
N07	C02	N03	C04	16.7°	41.8°
N07	C02	N03	C17	133.9°	119.5°
N07	C02	C01	H1	180.0°	178.0°
N07	C02	C01	H2	60.0°	62.0°
N07	C02	C01	H3	60.0°	57.9°
C02	N07	C06	H4	94.0°	69.5°
N07	C02	C17	H9	64.2°	173.3°
N07	C02	C17	H10	55.8°	53.3°
N07	C02	C17	H11	175.8°	66.7°
N07	C02	N03	H12	163.3°	138.3°
CL14	C11	C10	C09	179.5°	180.0°
CL14	C11	C10	H6	0.5°	0.1°
CL14	C11	C12	H7	0.4°	0.0°
C11	C10	C09	H6	180.0°	179.9°
C11	C10	C09	H5	179.9°	179.9°
C10	C11	C12	H7	179.5°	180.0°
N16	C04	N03	C02	173.3°	167.6°
N16	C04	N03	H12	6.7°	12.3°
C04	N16	H16	H17	180.0°	179.9°
C04	N03	C02	H12	180.0°	179.9°
C04	N03	C02	C17	150.6°	77.7°
N03	C04	N16	H16	178.2°	0.0°
N03	C04	N16	H17	1.8°	179.9°
N03	C02	C01	H1	60.0°	60.0°
N03	C02	C01	H2	180.0°	180.0°
N03	C02	C01	H3	60.0°	60.0°
N03	C02	C17	H9	70.1°	55.3°
N03	C02	C17	H10	169.9°	64.7°
N03	C02	C17	H11	49.9°	175.3°
C17	C02	C01	H1	56.4°	60.9°
C17	C02	C01	H2	63.6°	59.1°
C17	C02	C01	H3	176.5°	179.0°
C02	C17	H9	H10	120.0°	120.0°
C02	C17	H9	H11	120.0°	120.0°
C02	C17	H10	H11	120.0°	120.0°
C17	C02	N03	H12	29.4°	102.2°
H1	C01	H2	H3	120.0°	120.0°
H4	C06	N15	H13	89.7°	59.3°
H4	C06	N15	H14	30.3°	176.7°
H5	C09	C10	H6	0.1°	0.0°
H7	C12	C13	H8	0.2°	0.3°
H9	C17	H10	H11	120.0°	120.0°

Release date:	2023-08-02
Definition date:	2023-03-08
Last modified:	2023-07-28
Release status:	REL
Processing site:	PDBE
Derived from:	8CRH