EQR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O4	C14	doub	1.21Å	1.25Å
C14	O5	sing	1.34Å	1.25Å
C14	C13	sing	1.51Å	1.53Å
C13	N1	sing	1.47Å	1.46Å
N3	C8	sing	1.34Å	1.33Å
N3	C3	doub	1.32Å	1.34Å
O3	C8	doub	1.22Å	1.21Å
N1	C3	sing	1.37Å	1.40Å
N1	C2	sing	1.39Å	1.42Å
C8	C9	sing	1.46Å	1.42Å
C3	N2	sing	1.36Å	1.36Å
C2	C7	sing	1.39Å	1.39Å	Aromatic
C2	C1	doub	1.40Å	1.40Å	Aromatic
C7	C6	doub	1.38Å	1.38Å	Aromatic
N2	C1	sing	1.39Å	1.41Å
N2	N4	sing	1.40Å	1.36Å
C9	N4	doub	1.30Å	1.32Å
C9	C10	sing	1.51Å	1.50Å
C1	C4	sing	1.39Å	1.39Å	Aromatic
C6	C5	sing	1.39Å	1.39Å	Aromatic
C10	C11	sing	1.53Å	1.52Å
C4	C5	doub	1.38Å	1.39Å	Aromatic
C11	C12	sing	1.51Å	1.52Å
O1	C12	doub	1.21Å	1.25Å
C12	O2	sing	1.34Å	1.25Å
C4	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C6	H3	sing	1.08Å	1.08Å
C11	H4	sing	1.09Å	1.10Å
C11	H5	sing	1.09Å	1.10Å
C7	H6	sing	1.08Å	1.08Å
C10	H7	sing	1.09Å	1.10Å
C10	H8	sing	1.09Å	1.10Å
C13	H9	sing	1.09Å	1.10Å
C13	H10	sing	1.09Å	1.10Å
O2	H12	sing	0.97Å	0.95Å
O5	H13	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O4	C14	O5	126.7°	120.0°
O4	C14	C13	116.5°	120.0°
O5	C14	C13	116.9°	119.9°
C14	O5	H13	109.5°	117.0°
C14	C13	N1	115.4°	109.5°
C14	C13	H9	108.0°	109.5°
C14	C13	H10	107.9°	109.5°
C13	N1	C3	124.7°	125.9°
C13	N1	C2	127.2°	125.8°
N1	C13	H9	108.0°	109.4°
N1	C13	H10	108.0°	109.4°
C8	N3	C3	115.3°	120.8°
N3	C8	O3	118.3°	120.2°
N3	C8	C9	121.7°	119.5°
N3	C3	N1	128.2°	130.4°
N3	C3	N2	124.3°	120.8°
O3	C8	C9	120.1°	120.3°
C3	N1	C2	108.1°	108.3°
N1	C3	N2	107.5°	108.8°
N1	C2	C7	131.7°	133.1°
N1	C2	C1	107.5°	107.2°
C8	C9	N4	121.7°	118.8°
C8	C9	C10	119.9°	120.6°
C3	N2	C1	110.5°	108.4°
C3	N2	N4	120.9°	120.5°
C7	C2	C1	120.8°	119.7°
C2	C7	C6	117.9°	119.9°
C2	C7	H6	121.0°	120.0°
C2	C1	N2	106.4°	107.2°
C2	C1	C4	121.3°	119.9°
C7	C6	C5	121.1°	120.3°
C7	C6	H3	119.4°	119.8°
C6	C7	H6	121.0°	120.1°
C1	N2	N4	128.6°	131.0°
N2	C1	C4	132.3°	132.9°
N2	N4	C9	116.1°	119.5°
N4	C9	C10	118.3°	120.6°
C9	C10	C11	113.2°	109.5°
C9	C10	H7	108.5°	109.5°
C9	C10	H8	108.5°	109.5°
C1	C4	C5	117.5°	119.8°
C1	C4	H1	121.3°	120.1°
C6	C5	C4	121.4°	120.3°
C6	C5	H2	119.3°	119.8°
C5	C6	H3	119.5°	119.9°
C10	C11	C12	114.0°	109.5°
C10	C11	H4	108.3°	109.4°
C10	C11	H5	108.4°	109.5°
C11	C10	H7	108.5°	109.4°
C11	C10	H8	108.6°	109.5°
C5	C4	H1	121.3°	120.1°
C4	C5	H2	119.3°	119.9°
C11	C12	O1	118.0°	120.0°
C11	C12	O2	118.3°	120.0°
C12	C11	H4	108.3°	109.5°
C12	C11	H5	108.3°	109.5°
O1	C12	O2	123.7°	120.0°
C12	O2	H12	109.5°	117.0°
H4	C11	H5	109.4°	109.4°
H7	C10	H8	109.5°	109.5°
H9	C13	H10	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O4	C14	O5	C13	179.9°	179.9°
O4	C14	C13	N1	125.6°	0.0°
O4	C14	C13	H9	4.7°	119.9°
O4	C14	C13	H10	113.6°	120.0°
O4	C14	O5	H13	0.0°	0.1°
O5	C14	C13	N1	54.5°	180.0°
O5	C14	C13	H9	175.4°	60.0°
O5	C14	C13	H10	66.4°	60.1°
C14	C13	N1	H9	120.9°	120.0°
C14	C13	N1	H10	120.8°	120.0°
C14	C13	N1	C3	142.5°	90.0°
C14	C13	N1	C2	37.9°	90.0°
C14	C13	H9	H10	117.3°	120.1°
C13	C14	O5	H13	179.9°	180.0°
C13	N1	C3	N3	0.1°	0.0°
C13	N1	C3	C2	179.6°	180.0°
C13	N1	C3	N2	179.7°	179.8°
C13	N1	C2	C7	0.3°	0.0°
C13	N1	C2	C1	179.6°	179.8°
N1	C13	H9	H10	117.3°	119.9°
N3	C8	O3	C9	179.8°	179.7°
C8	N3	C3	N1	179.7°	180.0°
C8	N3	C3	N2	0.0°	0.3°
N3	C8	C9	N4	0.1°	0.3°
N3	C8	C9	C10	179.9°	179.9°
C3	N3	C8	O3	179.9°	179.8°
N3	C3	N1	N2	179.8°	179.8°
N3	C3	N1	C2	179.8°	180.0°
C3	N3	C8	C9	0.1°	0.2°
N3	C3	N2	C1	179.8°	180.0°
N3	C3	N2	N4	0.1°	0.4°
O3	C8	C9	N4	179.9°	179.9°
O3	C8	C9	C10	0.1°	0.3°
C3	N1	C2	C7	179.9°	180.0°
C3	N1	C2	C1	0.0°	0.2°
N1	C3	N2	C1	0.0°	0.2°
N1	C3	N2	N4	179.9°	179.8°
C3	N1	C13	H9	96.7°	30.0°
C3	N1	C13	H10	21.7°	150.0°
C2	N1	C3	N2	0.0°	0.2°
N1	C2	C7	C1	179.9°	179.8°
N1	C2	C7	C6	179.8°	180.0°
N1	C2	C1	N2	0.0°	0.1°
N1	C2	C1	C4	180.0°	179.7°
N1	C2	C7	H6	0.2°	0.0°
C2	N1	C13	H9	82.9°	150.0°
C2	N1	C13	H10	158.8°	30.0°
C8	C9	N4	N2	0.0°	0.4°
C8	C9	N4	C10	180.0°	179.8°
C8	C9	C10	C11	151.1°	65.0°
C8	C9	C10	H7	30.6°	175.0°
C8	C9	C10	H8	88.3°	55.0°
C3	N2	C1	C2	0.0°	0.1°
C3	N2	C1	N4	179.8°	179.5°
C3	N2	N4	C9	0.1°	0.5°
C3	N2	C1	C4	180.0°	179.5°
C2	C7	C6	H6	180.0°	180.0°
C7	C2	C1	N2	179.9°	179.9°
C7	C2	C1	C4	0.1°	0.4°
C2	C7	C6	C5	0.1°	0.1°
C2	C7	C6	H3	179.9°	180.0°
C1	C2	C7	C6	0.1°	0.2°
C2	C1	N2	C4	180.0°	179.6°
C2	C1	N2	N4	179.8°	179.6°
C2	C1	C4	C5	0.3°	0.5°
C2	C1	C4	H1	179.7°	179.8°
C1	C2	C7	H6	180.0°	179.8°
C7	C6	C5	H3	180.0°	179.9°
C7	C6	C5	C4	0.1°	0.0°
C7	C6	C5	H2	179.9°	180.0°
C1	N2	N4	C9	179.7°	180.0°
N2	C1	C4	C5	179.8°	180.0°
N2	C1	C4	H1	0.3°	0.3°
N2	N4	C9	C10	180.0°	179.8°
N4	N2	C1	C4	0.2°	0.0°
N4	C9	C10	C11	28.8°	114.8°
N4	C9	C10	H7	149.4°	5.2°
N4	C9	C10	H8	91.7°	125.2°
C9	C10	C11	H7	120.5°	120.0°
C9	C10	C11	H8	120.6°	120.0°
C9	C10	C11	C12	79.7°	180.0°
C9	C10	C11	H4	40.9°	59.9°
C9	C10	C11	H5	159.6°	60.0°
C9	C10	H7	H8	118.3°	120.0°
C1	C4	C5	C6	0.3°	0.3°
C1	C4	C5	H1	180.0°	179.7°
C1	C4	C5	H2	179.7°	179.7°
C6	C5	C4	H2	180.0°	180.0°
C6	C5	C4	H1	179.7°	180.0°
C5	C6	C7	H6	180.0°	180.0°
C10	C11	C12	H4	120.7°	120.0°
C10	C11	C12	H5	120.7°	120.0°
C10	C11	C12	O1	56.3°	0.0°
C10	C11	C12	O2	124.1°	180.0°
C10	C11	H4	H5	117.9°	120.0°
C11	C10	H7	H8	118.3°	120.0°
C4	C5	C6	H3	179.9°	179.9°
C11	C12	O1	O2	179.5°	180.0°
C12	C11	H4	H5	117.9°	120.0°
C12	C11	C10	H7	159.7°	60.0°
C12	C11	C10	H8	40.8°	60.0°
C11	C12	O2	H12	179.5°	180.0°
O1	C12	C11	H4	177.0°	120.0°
O1	C12	C11	H5	64.4°	120.0°
O1	C12	O2	H12	0.0°	0.0°
O2	C12	C11	H4	3.5°	60.0°
O2	C12	C11	H5	115.2°	59.9°
H1	C4	C5	H2	0.3°	0.1°
H2	C5	C6	H3	0.1°	0.1°
H3	C6	C7	H6	0.1°	0.1°
H4	C11	C10	H7	79.6°	60.0°
H4	C11	C10	H8	161.5°	180.0°
H5	C11	C10	H7	39.0°	180.0°
H5	C11	C10	H8	79.9°	60.0°

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