EQX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C14	doub	1.21Å	1.25Å
C14	C13	sing	1.51Å	1.52Å
C14	O2	sing	1.34Å	1.25Å
C13	C12	sing	1.53Å	1.51Å
C12	C11	sing	1.51Å	1.50Å
O3	C11	doub	1.21Å	1.23Å
C11	N6	sing	1.35Å	1.34Å
N6	N5	sing	1.40Å	1.38Å
N5	C8	sing	1.37Å	1.35Å
N4	N1	sing	1.40Å	1.37Å	Aromatic
N4	C9	doub	1.31Å	1.34Å	Aromatic
C8	N1	sing	1.37Å	1.40Å	Aromatic
C8	N2	doub	1.31Å	1.30Å	Aromatic
C10	C9	sing	1.51Å	1.49Å
N1	C7	sing	1.37Å	1.35Å	Aromatic
C9	N3	sing	1.33Å	1.34Å	Aromatic
N2	C5	sing	1.36Å	1.39Å	Aromatic
C7	N3	doub	1.32Å	1.36Å	Aromatic
C7	C4	sing	1.47Å	1.43Å	Aromatic
C5	C4	doub	1.41Å	1.41Å	Aromatic
C5	C6	sing	1.40Å	1.40Å	Aromatic
C4	C3	sing	1.39Å	1.40Å	Aromatic
C6	C1	doub	1.38Å	1.37Å	Aromatic
C3	C2	doub	1.38Å	1.38Å	Aromatic
C1	C2	sing	1.39Å	1.39Å	Aromatic
C6	H1	sing	1.08Å	1.08Å
C10	H2	sing	1.09Å	1.10Å
C10	H3	sing	1.09Å	1.10Å
C10	H4	sing	1.09Å	1.10Å
C12	H5	sing	1.09Å	1.10Å
C12	H6	sing	1.09Å	1.10Å
C13	H7	sing	1.09Å	1.10Å
C13	H8	sing	1.09Å	1.10Å
C3	H9	sing	1.08Å	1.08Å
C1	H10	sing	1.08Å	1.08Å
C2	H11	sing	1.08Å	1.08Å
N5	H12	sing	0.97Å	1.00Å
N6	H13	sing	0.97Å	1.00Å
O2	H14	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C14	C13	118.1°	120.0°
O1	C14	O2	123.5°	120.0°
C13	C14	O2	118.4°	120.0°
C14	C13	C12	116.3°	109.5°
C14	C13	H7	107.7°	109.5°
C14	C13	H8	107.7°	109.5°
C14	O2	H14	109.5°	117.0°
C13	C12	C11	113.5°	109.5°
C13	C12	H5	108.5°	109.5°
C13	C12	H6	108.5°	109.5°
C12	C13	H7	107.8°	109.4°
C12	C13	H8	107.7°	109.5°
C12	C11	O3	123.3°	120.0°
C12	C11	N6	113.8°	120.0°
C11	C12	H5	108.5°	109.5°
C11	C12	H6	108.4°	109.5°
O3	C11	N6	122.9°	120.0°
C11	N6	N5	119.7°	120.0°
C11	N6	H13	120.1°	120.0°
N6	N5	C8	124.1°	120.0°
N6	N5	H12	105.7°	120.0°
N5	N6	H13	120.2°	120.0°
N5	C8	N1	117.0°	118.6°
N5	C8	N2	120.6°	118.7°
C8	N5	H12	105.7°	120.0°
N1	N4	C9	105.9°	107.1°
N4	N1	C8	130.9°	133.8°
N4	N1	C7	108.1°	105.9°
N4	C9	C10	124.0°	125.2°
N4	C9	N3	111.3°	109.6°
N1	C8	N2	122.4°	122.8°
C8	N1	C7	121.0°	120.3°
C8	N2	C5	119.2°	122.0°
C10	C9	N3	124.7°	125.2°
C9	C10	H2	109.5°	109.5°
C9	C10	H3	109.4°	109.5°
C9	C10	H4	109.4°	109.4°
N1	C7	N3	108.8°	107.7°
N1	C7	C4	118.2°	117.7°
C9	N3	C7	105.9°	109.7°
N2	C5	C4	120.8°	119.3°
N2	C5	C6	119.5°	121.4°
N3	C7	C4	133.0°	134.5°
C7	C4	C5	117.9°	117.9°
C7	C4	C3	122.7°	122.1°
C4	C5	C6	119.7°	119.3°
C5	C4	C3	119.4°	120.0°
C5	C6	C1	119.8°	119.8°
C5	C6	H1	120.1°	120.1°
C4	C3	C2	119.8°	119.6°
C4	C3	H9	120.1°	120.2°
C6	C1	C2	120.9°	120.8°
C1	C6	H1	120.1°	120.1°
C6	C1	H10	119.5°	119.6°
C3	C2	C1	120.4°	120.5°
C2	C3	H9	120.1°	120.2°
C3	C2	H11	119.8°	119.7°
C2	C1	H10	119.5°	119.6°
C1	C2	H11	119.8°	119.7°
H2	C10	H3	109.5°	109.5°
H2	C10	H4	109.5°	109.5°
H3	C10	H4	109.5°	109.4°
H5	C12	H6	109.5°	109.4°
H7	C13	H8	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C14	C13	O2	179.5°	179.9°
O1	C14	C13	C12	173.5°	0.0°
O1	C14	C13	H7	65.5°	120.0°
O1	C14	C13	H8	52.5°	120.0°
O1	C14	O2	H14	0.0°	0.1°
C14	C13	C12	H7	121.0°	120.0°
C14	C13	C12	H8	121.0°	120.0°
C14	C13	C12	C11	63.3°	180.0°
C14	C13	C12	H5	176.0°	59.9°
C14	C13	C12	H6	57.2°	60.0°
C14	C13	H7	H8	116.9°	120.0°
C13	C14	O2	H14	179.5°	180.0°
O2	C14	C13	C12	7.0°	180.0°
O2	C14	C13	H7	114.0°	60.1°
O2	C14	C13	H8	127.9°	59.9°
C13	C12	C11	H5	120.6°	120.0°
C13	C12	C11	H6	120.6°	120.1°
C13	C12	C11	O3	52.9°	0.0°
C13	C12	C11	N6	127.1°	180.0°
C13	C12	H5	H6	118.2°	120.0°
C12	C13	H7	H8	116.9°	120.0°
C12	C11	O3	N6	180.0°	180.0°
C12	C11	N6	N5	5.8°	180.0°
C11	C12	H5	H6	118.2°	120.0°
C11	C12	C13	H7	57.6°	59.9°
C11	C12	C13	H8	175.7°	60.0°
C12	C11	N6	H13	174.2°	0.0°
O3	C11	N6	N5	174.2°	0.0°
O3	C11	C12	H5	67.7°	120.0°
O3	C11	C12	H6	173.5°	120.0°
O3	C11	N6	H13	5.8°	180.0°
C11	N6	N5	H13	180.0°	180.0°
C11	N6	N5	C8	157.0°	180.0°
N6	C11	C12	H5	112.3°	60.0°
N6	C11	C12	H6	6.5°	59.9°
C11	N6	N5	H12	81.0°	0.0°
N6	N5	C8	H12	122.0°	180.0°
N6	N5	C8	N1	168.5°	180.0°
N6	N5	C8	N2	11.3°	0.2°
N5	C8	N1	N4	6.0°	0.2°
N5	C8	N1	N2	179.8°	179.7°
N5	C8	N1	C7	173.6°	179.9°
N5	C8	N2	C5	171.7°	180.0°
C8	N5	N6	H13	23.0°	0.0°
N4	N1	C8	C7	179.6°	179.7°
N4	N1	C8	N2	174.1°	180.0°
N1	N4	C9	C10	179.9°	179.9°
N1	N4	C9	N3	0.0°	0.3°
N4	N1	C7	N3	0.3°	0.2°
N4	N1	C7	C4	179.8°	179.8°
C9	N4	N1	C8	179.8°	179.9°
N4	C9	C10	N3	179.9°	179.7°
C9	N4	N1	C7	0.2°	0.3°
N4	C9	N3	C7	0.1°	0.2°
N4	C9	C10	H2	0.0°	90.3°
N4	C9	C10	H3	120.0°	29.8°
N4	C9	C10	H4	120.0°	149.7°
N1	C8	N2	C5	8.2°	0.3°
C8	N1	C7	N3	179.9°	180.0°
C8	N1	C7	C4	0.5°	0.1°
N1	C8	N5	H12	69.5°	0.0°
N2	C8	N1	C7	6.3°	0.3°
C8	N2	C5	C4	4.6°	0.0°
C8	N2	C5	C6	174.6°	180.0°
N2	C8	N5	H12	110.6°	179.8°
C10	C9	N3	C7	180.0°	179.9°
C9	C10	H2	H3	120.0°	120.1°
C9	C10	H2	H4	120.0°	120.0°
C9	C10	H3	H4	120.0°	120.0°
N1	C7	N3	C9	0.2°	0.1°
N1	C7	N3	C4	179.5°	179.9°
N1	C7	C4	C5	2.8°	0.2°
N1	C7	C4	C3	177.9°	179.9°
C9	N3	C7	C4	179.7°	180.0°
N3	C9	C10	H2	179.9°	90.0°
N3	C9	C10	H3	60.1°	149.9°
N3	C9	C10	H4	59.9°	30.0°
N2	C5	C4	C7	0.9°	0.3°
N2	C5	C4	C6	179.2°	180.0°
N2	C5	C4	C3	179.7°	180.0°
N2	C5	C6	C1	179.6°	180.0°
N2	C5	C6	H1	0.5°	0.0°
N3	C7	C4	C5	176.6°	179.7°
N3	C7	C4	C3	2.7°	0.0°
C7	C4	C5	C3	179.4°	179.7°
C7	C4	C5	C6	179.9°	179.8°
C7	C4	C3	C2	179.7°	179.7°
C7	C4	C3	H9	0.2°	0.2°
C4	C5	C6	C1	0.4°	0.0°
C5	C4	C3	C2	0.4°	0.0°
C4	C5	C6	H1	179.7°	180.0°
C5	C4	C3	H9	179.6°	179.9°
C6	C5	C4	C3	0.5°	0.0°
C5	C6	C1	H1	180.0°	179.9°
C5	C6	C1	C2	0.0°	0.0°
C5	C6	C1	H10	180.0°	180.0°
C4	C3	C2	H9	180.0°	179.9°
C4	C3	C2	C1	0.1°	0.0°
C4	C3	C2	H11	179.9°	180.0°
C6	C1	C2	C3	0.1°	0.0°
C6	C1	C2	H10	180.0°	180.0°
C6	C1	C2	H11	179.9°	180.0°
C3	C2	C1	H11	180.0°	180.0°
C3	C2	C1	H10	179.9°	179.9°
C2	C1	C6	H1	180.0°	179.9°
C1	C2	C3	H9	179.9°	180.0°
H1	C6	C1	H10	0.0°	0.1°
H2	C10	H3	H4	120.0°	120.0°
H5	C12	C13	H7	63.0°	60.1°
H5	C12	C13	H8	55.1°	180.0°
H6	C12	C13	H7	178.2°	180.0°
H6	C12	C13	H8	63.7°	60.0°
H9	C3	C2	H11	0.1°	0.0°
H10	C1	C2	H11	0.1°	0.1°
H12	N5	N6	H13	99.0°	180.0°

Release date:	2020-06-24
Definition date:	2020-01-21
Last modified:	2020-06-19
Release status:	REL
Processing site:	PDBJ
Derived from:	6LRJ