OJI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N5	C10	sing	1.39Å	1.45Å
C10	N3	doub	1.32Å	1.32Å	Aromatic
C10	N4	sing	1.33Å	1.33Å	Aromatic
N3	C6	sing	1.33Å	1.36Å	Aromatic
O4	C5	sing	1.43Å	1.40Å
N4	C9	doub	1.32Å	1.33Å	Aromatic
O1	C2	sing	1.44Å	1.30Å
O1	C4	sing	1.44Å	1.61Å
C6	N1	sing	1.37Å	1.36Å	Aromatic
C6	C8	doub	1.41Å	1.37Å	Aromatic
C5	C4	sing	1.53Å	1.52Å
C2	N1	sing	1.46Å	1.48Å
C2	C1	sing	1.55Å	1.55Å
C9	C8	sing	1.40Å	1.42Å	Aromatic
C4	C3	sing	1.54Å	1.29Å
N1	C7	sing	1.36Å	1.32Å	Aromatic
C8	N2	sing	1.36Å	1.36Å	Aromatic
O2	C1	sing	1.43Å	1.37Å
C1	C3	sing	1.55Å	1.53Å
C3	O3	sing	1.43Å	1.50Å
C7	N2	doub	1.30Å	1.33Å	Aromatic
C2	H1	sing	1.09Å	1.10Å
C3	H2	sing	1.09Å	1.10Å
C4	H3	sing	1.09Å	1.10Å
C5	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
O2	H6	sing	0.97Å	0.95Å
O4	H7	sing	0.97Å	0.95Å
C7	H8	sing	1.08Å	1.08Å
C1	H9	sing	1.09Å	1.10Å
C9	H10	sing	1.08Å	1.08Å
N5	H11	sing	0.97Å	1.00Å
N5	H12	sing	0.97Å	1.00Å
O3	H13	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N5	C10	N3	119.3°	118.9°
N5	C10	N4	118.8°	118.9°
C10	N5	H11	109.5°	120.0°
C10	N5	H12	109.5°	120.0°
N3	C10	N4	121.9°	122.2°
C10	N3	C6	120.6°	120.4°
C10	N4	C9	121.1°	121.2°
N3	C6	N1	133.9°	134.9°
N3	C6	C8	119.1°	119.1°
O4	C5	C4	107.1°	109.5°
O4	C5	H4	110.1°	109.4°
O4	C5	H5	110.1°	109.5°
C5	O4	H7	109.5°	114.1°
N4	C9	C8	118.9°	118.7°
N4	C9	H10	120.6°	120.6°
C2	O1	C4	104.4°	107.0°
O1	C2	N1	108.4°	110.7°
O1	C2	C1	105.1°	103.5°
O1	C2	H1	112.2°	110.7°
O1	C4	C5	111.8°	110.0°
O1	C4	C3	105.5°	107.3°
O1	C4	H3	107.5°	109.9°
N1	C6	C8	107.1°	106.0°
C6	N1	C2	124.6°	126.3°
C6	N1	C7	108.7°	107.5°
C6	C8	C9	118.5°	118.4°
C6	C8	N2	106.4°	107.0°
C5	C4	C3	111.4°	109.9°
C5	C4	H3	108.6°	109.8°
C4	C5	H4	110.1°	109.5°
C4	C5	H5	110.1°	109.5°
N1	C2	C1	113.1°	110.6°
C2	N1	C7	126.7°	126.2°
N1	C2	H1	109.5°	110.5°
C2	C1	O2	113.2°	110.9°
C2	C1	C3	105.9°	102.1°
C1	C2	H1	108.5°	110.6°
C2	C1	H9	110.3°	110.9°
C9	C8	N2	135.1°	134.6°
C8	C9	H10	120.6°	120.7°
C4	C3	C1	102.0°	104.2°
C4	C3	O3	108.6°	110.5°
C4	C3	H2	115.5°	110.4°
C3	C4	H3	112.0°	109.9°
N1	C7	N2	108.9°	110.1°
N1	C7	H8	125.6°	125.0°
C8	N2	C7	108.9°	109.5°
O2	C1	C3	103.3°	110.9°
C1	O2	H6	109.5°	114.0°
O2	C1	H9	113.1°	110.8°
C1	C3	O3	106.7°	110.5°
C1	C3	H2	111.4°	110.6°
C3	C1	H9	110.6°	110.9°
O3	C3	H2	111.8°	110.4°
C3	O3	H13	109.5°	114.0°
N2	C7	H8	125.5°	125.0°
H4	C5	H5	109.5°	109.5°
H11	N5	H12	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N5	C10	N3	N4	179.7°	180.0°
N5	C10	N3	C6	179.6°	180.0°
N5	C10	N4	C9	179.5°	179.9°
C10	N5	H11	H12	120.0°	180.0°
N3	C10	N4	C9	0.2°	0.1°
C10	N3	C6	N1	179.7°	180.0°
C10	N3	C6	C8	0.0°	0.0°
N3	C10	N5	H11	0.0°	0.0°
N3	C10	N5	H12	120.0°	180.0°
N4	C10	N3	C6	0.1°	0.0°
C10	N4	C9	C8	0.2°	0.2°
C10	N4	C9	H10	179.9°	179.9°
N4	C10	N5	H11	179.7°	180.0°
N4	C10	N5	H12	60.2°	0.0°
N3	C6	N1	C8	179.8°	180.0°
N3	C6	N1	C2	0.7°	0.2°
N3	C6	C8	C9	0.0°	0.1°
N3	C6	N1	C7	179.7°	179.9°
N3	C6	C8	N2	179.8°	179.7°
O4	C5	C4	O1	60.7°	67.1°
O4	C5	C4	H4	119.6°	120.0°
O4	C5	C4	H5	119.6°	120.0°
O4	C5	C4	C3	178.4°	175.0°
O4	C5	C4	H3	57.8°	54.0°
O4	C5	H4	H5	121.1°	120.0°
N4	C9	C8	C6	0.1°	0.2°
N4	C9	C8	H10	180.0°	179.8°
N4	C9	C8	N2	179.7°	179.6°
O1	C2	N1	C6	106.7°	160.7°
C2	O1	C4	C5	164.0°	146.0°
O1	C2	N1	C1	116.2°	114.1°
O1	C2	N1	H1	122.7°	123.0°
O1	C2	C1	H1	120.3°	118.6°
C2	O1	C4	C3	42.8°	26.5°
O1	C2	N1	C7	72.2°	19.1°
O1	C2	C1	O2	114.5°	155.2°
O1	C2	C1	C3	2.0°	37.0°
C2	O1	C4	H3	76.9°	93.0°
O1	C2	C1	H9	117.7°	81.2°
O1	C4	C5	C3	117.7°	117.9°
O1	C4	C5	H3	118.5°	121.1°
C4	O1	C2	N1	144.3°	158.6°
C4	O1	C2	C1	23.0°	40.0°
O1	C4	C3	H3	116.6°	119.4°
O1	C4	C3	C1	38.3°	2.0°
O1	C4	C3	O3	150.7°	120.7°
C4	O1	C2	H1	94.8°	78.5°
O1	C4	C3	H2	82.7°	116.8°
O1	C4	C5	H4	59.0°	172.9°
O1	C4	C5	H5	179.7°	52.9°
C6	N1	C2	C7	178.9°	179.8°
C6	N1	C2	C1	137.2°	85.2°
N1	C6	C8	C9	179.8°	179.9°
N1	C6	C8	N2	0.4°	0.3°
C6	N1	C7	N2	0.4°	0.2°
C6	N1	C2	H1	16.0°	37.6°
C6	N1	C7	H8	179.6°	179.7°
C8	C6	N1	C2	179.5°	179.8°
C6	C8	C9	N2	179.8°	179.8°
C8	C6	N1	C7	0.5°	0.0°
C6	C8	N2	C7	0.1°	0.4°
C6	C8	C9	H10	179.9°	179.9°
C5	C4	C3	H3	121.9°	121.0°
C5	C4	C3	C1	159.8°	121.6°
C5	C4	C3	O3	87.7°	119.7°
C5	C4	C3	H2	38.8°	2.7°
C4	C5	H4	H5	121.1°	120.0°
C4	C5	O4	H7	180.0°	180.0°
N1	C2	C1	H1	121.7°	122.8°
N1	C2	C1	O2	127.4°	86.2°
N1	C2	C1	C3	120.1°	155.6°
C2	N1	C7	N2	179.4°	180.0°
C2	N1	C7	H8	0.6°	0.2°
N1	C2	C1	H9	0.4°	37.3°
C2	C1	C3	C4	25.2°	20.9°
C1	C2	N1	C7	44.0°	95.0°
C2	C1	O2	C3	114.0°	112.7°
C2	C1	O2	H9	126.3°	123.6°
C2	C1	C3	H9	119.5°	118.2°
C2	C1	C3	O3	139.1°	97.8°
C2	C1	C3	H2	98.5°	139.6°
C2	C1	O2	H6	180.0°	180.0°
C9	C8	N2	C7	179.9°	179.8°
C4	C3	C1	O2	93.9°	139.1°
C4	C3	C1	O3	113.9°	118.7°
C4	C3	C1	H2	123.8°	118.7°
C4	C3	O3	H2	128.7°	122.5°
C3	C4	C5	H4	58.8°	55.0°
C3	C4	C5	H5	61.9°	64.9°
C4	C3	C1	H9	144.7°	97.3°
C4	C3	O3	H13	180.0°	63.2°
N1	C7	N2	C8	0.2°	0.4°
N1	C7	N2	H8	180.0°	179.9°
C7	N1	C2	H1	165.1°	142.2°
C8	N2	C7	H8	179.8°	179.5°
N2	C8	C9	H10	0.3°	0.2°
O2	C1	C3	H9	121.3°	123.6°
O2	C1	C3	O3	19.9°	20.4°
O2	C1	C2	H1	5.8°	36.6°
O2	C1	C3	H2	142.3°	102.2°
C1	C3	O3	H2	122.1°	122.8°
C3	C1	C2	H1	118.2°	81.6°
C1	C3	C4	H3	78.3°	117.4°
C3	C1	O2	H6	66.0°	67.3°
C1	C3	O3	H13	70.8°	178.0°
O3	C3	C4	H3	34.1°	1.3°
O3	C3	C1	H9	101.4°	144.0°
H1	C2	C1	H9	122.1°	160.1°
H2	C3	C4	H3	160.7°	123.7°
H2	C3	C1	H9	20.9°	21.4°
H2	C3	O3	H13	51.3°	59.2°
H3	C4	C5	H4	177.4°	66.0°
H3	C4	C5	H5	61.9°	174.0°
H4	C5	O4	H7	60.4°	60.0°
H5	C5	O4	H7	60.3°	60.0°
H6	O2	C1	H9	53.7°	56.4°

Release date:	2023-03-29
Definition date:	2023-02-07
Last modified:	2023-03-24
Release status:	REL
Processing site:	PDBJ
Derived from:	8I7N