EIE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C	doub	1.22Å	1.20Å
N5	C14	doub	1.29Å	1.31Å	Aromatic
N5	C3	sing	1.36Å	1.39Å	Aromatic
C14	N4	sing	1.36Å	1.37Å	Aromatic
C12	C11	doub	1.36Å	1.38Å	Aromatic
C12	C13	sing	1.40Å	1.39Å	Aromatic
C11	C10	sing	1.46Å	1.39Å	Aromatic
C3	C	sing	1.47Å	1.48Å
C3	C4	doub	1.36Å	1.37Å	Aromatic
C	O1	sing	1.35Å	1.33Å
N3	N2	doub	1.12Å	1.14Å
N4	C4	sing	1.35Å	1.38Å	Aromatic
N4	C13	sing	1.39Å	1.43Å
C4	C5	sing	1.51Å	1.48Å
C13	C8	doub	1.40Å	1.41Å	Aromatic
N2	N1	doub	1.12Å	1.28Å
C10	N1	sing	1.33Å	1.42Å
C10	C9	doub	1.41Å	1.39Å	Aromatic
O1	C1	sing	1.45Å	1.46Å
C5	N	sing	1.47Å	1.46Å
C1	C2	sing	1.53Å	1.46Å
C8	C9	sing	1.40Å	1.39Å	Aromatic
C8	C7	sing	1.47Å	1.50Å
N	C7	sing	1.33Å	1.35Å
N	C6	sing	1.46Å	1.46Å
C7	O2	doub	1.22Å	1.22Å
C9	H1	sing	1.08Å	1.08Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C5	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C6	H7	sing	1.09Å	1.10Å
C6	H8	sing	1.09Å	1.10Å
C2	H10	sing	1.09Å	1.10Å
C2	H11	sing	1.09Å	1.10Å
C2	H12	sing	1.09Å	1.10Å
C11	H13	sing	1.08Å	1.08Å
C12	H14	sing	1.08Å	1.08Å
C14	H15	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	C3	124.1°	120.1°
O	C	O1	123.3°	120.0°
C14	N5	C3	104.7°	109.0°
N5	C14	N4	112.5°	109.0°
N5	C14	H15	123.8°	125.4°
N5	C3	C	122.2°	126.4°
N5	C3	C4	110.6°	107.3°
C14	N4	C4	106.6°	107.5°
C14	N4	C13	129.6°	126.3°
N4	C14	H15	123.7°	125.6°
C11	C12	C13	120.0°	121.2°
C12	C11	C10	120.5°	119.2°
C12	C11	H13	119.7°	120.4°
C11	C12	H14	120.0°	119.4°
C12	C13	N4	118.1°	117.2°
C12	C13	C8	120.2°	120.8°
C13	C12	H14	120.0°	119.4°
C11	C10	N1	122.0°	120.5°
C11	C10	C9	119.5°	118.9°
C10	C11	H13	119.7°	120.4°
C	C3	C4	127.2°	126.3°
C3	C	O1	112.7°	120.0°
C3	C4	N4	105.6°	107.1°
C3	C4	C5	135.2°	127.0°
C	O1	C1	116.1°	117.0°
N3	N2	N1	168.7°	180.0°
C4	N4	C13	123.8°	126.1°
N4	C4	C5	119.1°	125.9°
N4	C13	C8	121.7°	121.9°
C4	C5	N	107.7°	107.6°
C4	C5	H4	109.9°	109.9°
C4	C5	H5	109.9°	109.9°
C13	C8	C9	118.7°	119.5°
C13	C8	C7	125.8°	123.2°
N2	N1	C10	112.3°	120.0°
N1	C10	C9	118.6°	120.6°
C10	C9	C8	121.0°	120.3°
C10	C9	H1	119.5°	119.9°
O1	C1	C2	108.5°	109.5°
O1	C1	H2	109.7°	109.4°
O1	C1	H3	109.7°	109.4°
C5	N	C7	122.4°	121.5°
C5	N	C6	118.0°	119.3°
N	C5	H4	109.9°	109.9°
N	C5	H5	109.9°	109.8°
C2	C1	H2	109.7°	109.5°
C2	C1	H3	109.7°	109.5°
C1	C2	H10	109.5°	109.5°
C1	C2	H11	109.5°	109.5°
C1	C2	H12	109.5°	109.5°
C9	C8	C7	115.5°	117.2°
C8	C9	H1	119.5°	119.8°
C8	C7	N	118.4°	127.3°
C8	C7	O2	119.8°	116.4°
C7	N	C6	119.6°	119.2°
N	C7	O2	121.8°	116.4°
N	C6	H6	109.5°	109.5°
N	C6	H7	109.5°	109.5°
N	C6	H8	109.5°	109.5°
H2	C1	H3	109.5°	109.5°
H4	C5	H5	109.5°	109.8°
H6	C6	H7	109.5°	109.4°
H6	C6	H8	109.4°	109.5°
H7	C6	H8	109.5°	109.5°
H10	C2	H11	109.4°	109.5°
H10	C2	H12	109.4°	109.5°
H11	C2	H12	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	C3	N5	36.0°	179.9°
O	C	C3	O1	179.0°	179.9°
O	C	C3	C4	143.1°	0.0°
O	C	O1	C1	2.0°	0.1°
N5	C14	N4	H15	180.0°	179.9°
C14	N5	C3	C	179.1°	179.7°
C14	N5	C3	C4	0.1°	0.3°
N5	C14	N4	C4	0.0°	1.8°
N5	C14	N4	C13	179.9°	176.8°
C3	N5	C14	N4	0.1°	0.9°
N5	C3	C	C4	179.1°	179.9°
N5	C3	C	O1	145.0°	0.0°
N5	C3	C4	N4	0.1°	1.4°
N5	C3	C4	C5	179.6°	178.2°
C3	N5	C14	H15	179.9°	179.1°
C14	N4	C13	C12	40.9°	35.2°
C14	N4	C4	C3	0.1°	1.9°
C14	N4	C4	C13	179.9°	178.6°
C14	N4	C4	C5	179.7°	177.7°
C14	N4	C13	C8	139.7°	145.2°
C11	C12	C13	H14	180.0°	180.0°
C12	C11	C10	H13	180.0°	180.0°
C11	C12	C13	N4	179.1°	177.4°
C11	C12	C13	C8	0.3°	2.3°
C12	C11	C10	N1	179.4°	177.8°
C12	C11	C10	C9	0.3°	2.1°
C13	C12	C11	C10	0.2°	0.4°
C12	C13	N4	C4	139.0°	143.1°
C12	C13	N4	C8	179.4°	179.6°
C12	C13	C8	C9	0.6°	3.1°
C12	C13	C8	C7	177.7°	176.1°
C13	C12	C11	H13	179.8°	179.6°
C11	C10	N1	N2	19.0°	0.1°
C11	C10	N1	C9	179.7°	179.9°
C11	C10	C9	C8	0.0°	1.3°
C11	C10	C9	H1	180.0°	178.7°
C10	C11	C12	H14	179.8°	179.6°
C	C3	C4	N4	179.1°	178.6°
C	C3	C4	C5	1.3°	1.9°
C3	C	O1	C1	177.0°	180.0°
C4	C3	C	O1	35.9°	179.9°
C3	C4	N4	C5	179.7°	179.6°
C3	C4	N4	C13	179.9°	176.7°
C3	C4	C5	N	109.5°	120.1°
C3	C4	C5	H4	10.2°	120.3°
C3	C4	C5	H5	130.8°	0.6°
C	O1	C1	C2	93.4°	180.0°
C	O1	C1	H2	26.5°	59.9°
C	O1	C1	H3	146.8°	60.0°
N3	N2	N1	C10	179.4°	168.6°
C4	N4	C13	C8	40.4°	36.5°
N4	C4	C5	N	70.1°	59.3°
N4	C4	C5	H4	170.1°	60.2°
N4	C4	C5	H5	49.6°	178.8°
C4	N4	C14	H15	180.0°	178.3°
C13	N4	C4	C5	0.4°	3.8°
N4	C13	C8	C9	178.7°	176.5°
N4	C13	C8	C7	3.0°	4.3°
N4	C13	C12	H14	0.9°	2.6°
C13	N4	C14	H15	0.1°	3.2°
C4	C5	N	H4	119.8°	119.6°
C4	C5	N	H5	119.7°	119.6°
C4	C5	N	C7	70.4°	60.8°
C4	C5	N	C6	109.8°	119.2°
C4	C5	H4	H5	120.8°	121.0°
C13	C8	C9	C10	0.5°	1.3°
C13	C8	C9	C7	178.5°	179.3°
C13	C8	C7	N	43.6°	41.2°
C13	C8	C7	O2	136.8°	138.5°
C13	C8	C9	H1	179.5°	178.7°
C8	C13	C12	H14	179.7°	177.7°
N2	N1	C10	C9	161.3°	180.0°
N1	C10	C9	C8	179.8°	178.7°
N1	C10	C9	H1	0.2°	1.4°
N1	C10	C11	H13	0.6°	2.2°
C10	C9	C8	H1	180.0°	180.0°
C10	C9	C8	C7	178.0°	178.0°
C9	C10	C11	H13	179.7°	177.9°
O1	C1	C2	H2	119.9°	120.0°
O1	C1	C2	H3	119.8°	120.0°
O1	C1	H2	H3	120.4°	119.9°
O1	C1	C2	H10	180.0°	60.0°
O1	C1	C2	H11	60.0°	60.0°
O1	C1	C2	H12	60.0°	180.0°
C5	N	C7	C8	0.4°	1.5°
C5	N	C7	C6	179.8°	180.0°
C5	N	C7	O2	179.2°	178.8°
N	C5	H4	H5	120.8°	120.8°
C5	N	C6	H6	180.0°	90.0°
C5	N	C6	H7	60.0°	150.0°
C5	N	C6	H8	60.0°	30.0°
C2	C1	H2	H3	120.4°	120.0°
C1	C2	H10	H11	120.0°	120.0°
C1	C2	H10	H12	120.0°	120.0°
C1	C2	H11	H12	120.0°	120.0°
C9	C8	C7	N	138.1°	139.5°
C9	C8	C7	O2	41.5°	40.8°
C8	C7	N	O2	179.6°	179.7°
C8	C7	N	C6	179.8°	178.5°
C7	C8	C9	H1	2.0°	2.0°
C7	N	C5	H4	169.9°	58.8°
C7	N	C5	H5	49.3°	179.6°
C7	N	C6	H6	0.2°	90.0°
C7	N	C6	H7	120.2°	30.0°
C7	N	C6	H8	119.8°	150.0°
C6	N	C7	O2	0.6°	1.2°
C6	N	C5	H4	10.0°	121.2°
C6	N	C5	H5	130.5°	0.4°
N	C6	H6	H7	120.0°	120.1°
N	C6	H6	H8	120.0°	120.0°
N	C6	H7	H8	120.0°	120.0°
H2	C1	C2	H10	60.1°	180.0°
H2	C1	C2	H11	179.9°	60.0°
H2	C1	C2	H12	59.9°	60.0°
H3	C1	C2	H10	60.2°	60.0°
H3	C1	C2	H11	59.8°	180.0°
H3	C1	C2	H12	179.8°	60.0°
H6	C6	H7	H8	120.0°	120.0°
H10	C2	H11	H12	120.0°	120.0°
H13	C11	C12	H14	0.2°	0.4°

Release date:	2022-04-13
Definition date:	2022-01-05
Last modified:	2022-08-22
Release status:	REL
Processing site:	PDBE
Derived from:	7QNE