EAQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N25	N26	sing	0.00Å	1.34Å	Aromatic
N25	C24	sing	0.00Å	1.31Å	Aromatic
N26	C27	doub	0.00Å	1.28Å	Aromatic
C24	C11	doub	0.00Å	1.35Å	Aromatic
C27	C11	sing	0.00Å	1.47Å	Aromatic
C11	C4	sing	0.00Å	1.49Å
C4	C3	doub	0.00Å	1.36Å	Aromatic
C4	C5	sing	0.00Å	1.48Å	Aromatic
C21	C20	sing	0.00Å	1.55Å
C3	N2	sing	0.00Å	1.33Å	Aromatic
C5	C6	doub	0.00Å	1.33Å	Aromatic
C15	N16	doub	0.00Å	1.34Å	Aromatic
C15	C13	sing	0.00Å	1.40Å	Aromatic
N2	C9	sing	0.00Å	1.33Å	Aromatic
N2	C1	sing	0.00Å	1.31Å	Aromatic
N16	C17	sing	0.00Å	1.36Å	Aromatic
C9	C8	doub	0.00Å	1.37Å	Aromatic
C6	C1	sing	0.00Å	1.46Å	Aromatic
O14	C12	doub	0.00Å	1.21Å
C1	N7	doub	0.00Å	1.25Å	Aromatic
C8	N7	sing	0.00Å	1.43Å	Aromatic
C8	N10	sing	0.00Å	1.35Å
C12	N10	sing	0.00Å	1.35Å
C12	C13	sing	0.00Å	1.51Å
C13	C19	doub	0.00Å	1.40Å	Aromatic
C17	C20	sing	0.00Å	1.55Å
C17	C18	doub	0.00Å	1.41Å	Aromatic
C20	C22	sing	0.00Å	1.56Å
C20	C23	sing	0.00Å	1.56Å
C19	C18	sing	0.00Å	1.41Å	Aromatic
C3	H1	sing	0.00Å	1.08Å
C15	H2	sing	0.00Å	1.08Å
C18	H3	sing	0.00Å	1.08Å
C19	H4	sing	0.00Å	1.08Å
C21	H5	sing	0.00Å	1.10Å
C21	H6	sing	0.00Å	1.10Å
C21	H7	sing	0.00Å	1.10Å
C22	H8	sing	0.00Å	1.10Å
C22	H9	sing	0.00Å	1.10Å
C22	H10	sing	0.00Å	1.10Å
C23	H11	sing	0.00Å	1.10Å
C23	H12	sing	0.00Å	1.10Å
C23	H13	sing	0.00Å	1.10Å
C24	H14	sing	0.00Å	1.08Å
C27	H15	sing	0.00Å	1.08Å
C5	H16	sing	0.00Å	1.08Å
C6	H17	sing	0.00Å	1.08Å
N7	H18	sing	0.00Å	1.00Å
C9	H19	sing	0.00Å	1.08Å
N10	H20	sing	0.00Å	1.00Å
N25	H21	sing	0.00Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N26	N25	C24	109.1°	90.0°
N25	N26	C27	110.8°	90.0°
N26	N25	H21	125.5°	90.0°
N25	C24	C11	109.7°	90.0°
N25	C24	H14	125.2°	90.0°
C24	N25	H21	125.5°	90.0°
N26	C27	C11	106.4°	90.0°
N26	C27	H15	126.8°	90.0°
C24	C11	C27	104.0°	90.0°
C24	C11	C4	126.6°	90.0°
C11	C24	H14	125.2°	90.0°
C27	C11	C4	129.3°	90.0°
C11	C27	H15	126.8°	90.0°
C11	C4	C3	123.7°	90.0°
C11	C4	C5	118.6°	90.0°
C3	C4	C5	117.7°	90.0°
C4	C3	N2	120.9°	90.0°
C4	C3	H1	119.5°	90.0°
C4	C5	C6	120.5°	90.0°
C4	C5	H16	119.7°	90.0°
C21	C20	C17	109.7°	90.0°
C21	C20	C22	108.2°	90.0°
C21	C20	C23	110.5°	90.0°
C20	C21	H5	109.5°	90.0°
C20	C21	H6	109.4°	90.0°
C20	C21	H7	109.5°	90.0°
C3	N2	C9	128.8°	90.0°
C3	N2	C1	122.6°	90.0°
N2	C3	H1	119.5°	90.0°
C5	C6	C1	116.4°	90.0°
C6	C5	H16	119.7°	90.0°
C5	C6	H17	121.8°	90.0°
N16	C15	C13	120.6°	90.0°
C15	N16	C17	122.6°	90.0°
N16	C15	H2	119.7°	90.0°
C15	C13	C12	119.6°	90.0°
C15	C13	C19	118.5°	90.0°
C13	C15	H2	119.7°	90.0°
C9	N2	C1	108.4°	90.0°
N2	C9	C8	108.5°	90.0°
N2	C9	H19	125.8°	90.0°
N2	C1	C6	121.7°	90.0°
N2	C1	N7	111.3°	90.0°
N16	C17	C20	117.4°	90.0°
N16	C17	C18	119.1°	90.0°
C9	C8	N7	102.9°	90.0°
C9	C8	N10	135.2°	90.0°
C8	C9	H19	125.7°	90.0°
C6	C1	N7	126.9°	90.0°
C1	C6	H17	121.8°	90.0°
O14	C12	N10	121.5°	90.0°
O14	C12	C13	117.5°	90.0°
C1	N7	C8	108.8°	90.0°
C1	N7	H18	125.6°	90.0°
N7	C8	N10	121.9°	90.0°
C8	N7	H18	125.6°	90.0°
C8	N10	C12	125.5°	90.0°
C8	N10	H20	117.2°	90.0°
N10	C12	C13	121.0°	90.0°
C12	N10	H20	117.2°	90.0°
C12	C13	C19	121.8°	90.0°
C13	C19	C18	119.5°	90.0°
C13	C19	H4	120.2°	90.0°
C20	C17	C18	123.6°	90.0°
C17	C20	C22	109.1°	90.0°
C17	C20	C23	111.3°	90.0°
C17	C18	C19	119.6°	90.0°
C17	C18	H3	120.2°	90.0°
C22	C20	C23	107.9°	90.0°
C20	C22	H8	109.5°	90.0°
C20	C22	H9	109.4°	90.0°
C20	C22	H10	109.5°	90.0°
C20	C23	H11	109.5°	90.0°
C20	C23	H12	109.4°	90.0°
C20	C23	H13	109.4°	90.0°
C19	C18	H3	120.2°	90.0°
C18	C19	H4	120.2°	90.0°
H5	C21	H6	109.5°	90.0°
H5	C21	H7	109.4°	90.0°
H6	C21	H7	109.4°	90.0°
H8	C22	H9	109.5°	90.0°
H8	C22	H10	109.4°	90.0°
H9	C22	H10	109.5°	90.0°
H11	C23	H12	109.5°	90.0°
H11	C23	H13	109.5°	90.0°
H12	C23	H13	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N26	N25	C24	H21	180.0°	90.0°
N26	N25	C24	C11	0.3°	90.0°
N25	N26	C27	C11	0.1°	90.0°
N26	N25	C24	H14	179.7°	90.0°
N25	N26	C27	H15	179.9°	90.0°
C24	N25	N26	C27	0.1°	90.0°
N25	C24	C11	H14	180.0°	90.0°
N25	C24	C11	C27	0.4°	90.0°
N25	C24	C11	C4	177.8°	90.0°
N26	C27	C11	C24	0.3°	90.0°
N26	C27	C11	H15	180.0°	90.0°
N26	C27	C11	C4	177.8°	90.0°
C27	N26	N25	H21	179.9°	90.0°
C24	C11	C27	C4	178.1°	90.0°
C24	C11	C4	C3	160.3°	90.0°
C24	C11	C4	C5	17.5°	90.0°
C24	C11	C27	H15	179.7°	90.0°
C11	C24	N25	H21	179.7°	90.0°
C27	C11	C4	C3	17.5°	90.0°
C27	C11	C4	C5	164.8°	90.0°
C27	C11	C24	H14	179.6°	90.0°
C11	C4	C3	C5	177.8°	90.0°
C11	C4	C3	N2	176.9°	90.0°
C11	C4	C5	C6	176.5°	90.0°
C11	C4	C3	H1	3.1°	90.0°
C4	C11	C24	H14	2.2°	90.0°
C4	C11	C27	H15	2.2°	90.0°
C11	C4	C5	H16	3.4°	90.0°
C4	C3	N2	H1	180.0°	90.0°
C3	C4	C5	C6	1.3°	90.0°
C4	C3	N2	C9	176.1°	90.0°
C4	C3	N2	C1	1.5°	90.0°
C3	C4	C5	H16	178.7°	90.0°
C5	C4	C3	N2	0.9°	90.0°
C4	C5	C6	H16	180.0°	90.0°
C4	C5	C6	C1	0.4°	90.0°
C5	C4	C3	H1	179.1°	90.0°
C4	C5	C6	H17	179.6°	90.0°
C21	C20	C17	N16	68.4°	90.0°
C21	C20	C17	C22	118.4°	90.0°
C21	C20	C17	C23	122.6°	90.0°
C21	C20	C17	C18	111.6°	90.0°
C21	C20	C22	C23	119.6°	90.0°
C20	C21	H5	H6	120.0°	90.0°
C20	C21	H5	H7	120.0°	90.0°
C20	C21	H6	H7	120.0°	90.0°
C21	C20	C22	H8	180.0°	90.0°
C21	C20	C22	H9	60.0°	90.0°
C21	C20	C22	H10	60.0°	90.0°
C21	C20	C23	H11	180.0°	90.0°
C21	C20	C23	H12	60.0°	90.0°
C21	C20	C23	H13	60.0°	90.0°
C3	N2	C9	C1	175.2°	90.0°
C3	N2	C9	C8	177.5°	90.0°
C3	N2	C1	C6	3.4°	90.0°
C3	N2	C1	N7	177.4°	90.0°
C3	N2	C9	H19	2.5°	90.0°
C5	C6	C1	N2	2.8°	90.0°
C5	C6	C1	H17	180.0°	90.0°
C5	C6	C1	N7	178.2°	90.0°
N16	C15	C13	H2	180.0°	90.0°
N16	C15	C13	C12	178.8°	90.0°
N16	C15	C13	C19	1.6°	90.0°
C15	N16	C17	C20	180.0°	90.0°
C15	N16	C17	C18	0.0°	90.0°
C13	C15	N16	C17	0.8°	90.0°
C15	C13	C12	O14	30.6°	90.0°
C15	C13	C12	N10	147.5°	90.0°
C15	C13	C12	C19	177.2°	90.0°
C15	C13	C19	C18	1.5°	90.0°
C15	C13	C19	H4	178.5°	90.0°
N2	C9	C8	H19	180.0°	90.0°
C9	N2	C1	C6	179.0°	90.0°
C9	N2	C1	N7	1.8°	90.0°
N2	C9	C8	N7	1.8°	90.0°
N2	C9	C8	N10	178.7°	90.0°
C9	N2	C3	H1	3.9°	90.0°
C1	N2	C9	C8	2.2°	90.0°
N2	C1	C6	N7	179.0°	90.0°
N2	C1	N7	C8	0.7°	90.0°
C1	N2	C3	H1	178.5°	90.0°
N2	C1	C6	H17	177.2°	90.0°
N2	C1	N7	H18	179.3°	90.0°
C1	N2	C9	H19	177.7°	90.0°
N16	C17	C20	C18	180.0°	90.0°
N16	C17	C20	C22	49.9°	90.0°
N16	C17	C20	C23	169.0°	90.0°
N16	C17	C18	C19	0.0°	90.0°
C17	N16	C15	H2	179.2°	90.0°
N16	C17	C18	H3	180.0°	90.0°
C9	C8	N7	C1	0.7°	90.0°
C9	C8	N7	N10	177.5°	90.0°
C9	C8	N10	C12	1.8°	90.0°
C9	C8	N7	H18	179.3°	90.0°
C9	C8	N10	H20	178.2°	90.0°
C6	C1	N7	C8	179.8°	90.0°
C1	C6	C5	H16	179.6°	90.0°
C6	C1	N7	H18	0.2°	90.0°
O14	C12	N10	C8	1.6°	90.0°
O14	C12	N10	C13	178.1°	90.0°
O14	C12	C13	C19	152.2°	90.0°
O14	C12	N10	H20	178.4°	90.0°
C1	N7	C8	H18	180.0°	90.0°
C1	N7	C8	N10	178.2°	90.0°
N7	C1	C6	H17	1.8°	90.0°
N7	C8	N10	C12	174.7°	90.0°
N7	C8	C9	H19	178.2°	90.0°
N7	C8	N10	H20	5.3°	90.0°
C8	N10	C12	H20	180.0°	90.0°
C8	N10	C12	C13	176.5°	90.0°
N10	C8	N7	H18	1.8°	90.0°
N10	C8	C9	H19	1.2°	90.0°
N10	C12	C13	C19	29.7°	90.0°
C12	C13	C19	C18	178.7°	90.0°
C12	C13	C15	H2	1.2°	90.0°
C12	C13	C19	H4	1.3°	90.0°
C13	C12	N10	H20	3.6°	90.0°
C13	C19	C18	C17	0.8°	90.0°
C13	C19	C18	H4	180.0°	90.0°
C19	C13	C15	H2	178.5°	90.0°
C13	C19	C18	H3	179.2°	90.0°
C17	C20	C22	C23	121.1°	90.0°
C20	C17	C18	C19	180.0°	90.0°
C20	C17	C18	H3	0.0°	90.0°
C17	C20	C21	H5	180.0°	90.0°
C17	C20	C21	H6	60.0°	90.0°
C17	C20	C21	H7	60.0°	90.0°
C17	C20	C22	H8	60.6°	90.0°
C17	C20	C22	H9	179.3°	90.0°
C17	C20	C22	H10	59.3°	90.0°
C17	C20	C23	H11	57.8°	90.0°
C17	C20	C23	H12	62.2°	90.0°
C17	C20	C23	H13	177.8°	90.0°
C18	C17	C20	C22	130.1°	90.0°
C18	C17	C20	C23	11.0°	90.0°
C17	C18	C19	H3	180.0°	90.0°
C17	C18	C19	H4	179.3°	90.0°
C22	C20	C21	H5	61.0°	90.0°
C22	C20	C21	H6	178.9°	90.0°
C22	C20	C21	H7	59.0°	90.0°
C20	C22	H8	H9	120.0°	90.0°
C20	C22	H8	H10	120.0°	90.0°
C20	C22	H9	H10	120.0°	90.0°
C22	C20	C23	H11	61.9°	90.0°
C22	C20	C23	H12	178.1°	90.0°
C22	C20	C23	H13	58.1°	90.0°
C23	C20	C21	H5	56.9°	90.0°
C23	C20	C21	H6	63.1°	90.0°
C23	C20	C21	H7	176.9°	90.0°
C23	C20	C22	H8	60.5°	90.0°
C23	C20	C22	H9	59.6°	90.0°
C23	C20	C22	H10	179.6°	90.0°
C20	C23	H11	H12	120.0°	90.0°
C20	C23	H11	H13	120.0°	90.0°
C20	C23	H12	H13	120.0°	90.0°
H3	C18	C19	H4	0.7°	90.0°
H5	C21	H6	H7	120.0°	90.0°
H8	C22	H9	H10	120.0°	90.0°
H11	C23	H12	H13	120.0°	90.0°
H14	C24	N25	H21	0.3°	90.0°
H16	C5	C6	H17	0.4°	90.0°

Release date:	2018-07-18
Definition date:	2018-03-12
Last modified:	2018-07-13
Release status:	REL
Processing site:	EBI
Derived from:	6FYR