UI8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N13	C12	doub	1.29Å	1.29Å
N13	B09	sing	1.50Å	1.60Å
C12	C11	sing	1.47Å	1.47Å
C17	C11	doub	1.40Å	1.44Å	Aromatic
C17	C16	sing	1.38Å	1.40Å	Aromatic
C11	C10	sing	1.40Å	1.50Å	Aromatic
O18	B09	sing	1.37Å	1.46Å
B09	C02	sing	1.56Å	1.64Å
B09	N08	sing	1.63Å	1.64Å
C16	C15	doub	1.39Å	1.41Å	Aromatic
C03	C02	doub	1.38Å	1.43Å	Aromatic
C03	C04	sing	1.39Å	1.42Å	Aromatic
C10	N08	sing	1.38Å	1.47Å
C10	C14	doub	1.39Å	1.45Å	Aromatic
C02	C01	sing	1.39Å	1.40Å	Aromatic
N08	C07	sing	1.48Å	1.52Å
C15	C14	sing	1.38Å	1.41Å	Aromatic
C04	C05	doub	1.38Å	1.41Å	Aromatic
C07	C01	sing	1.51Å	1.61Å
C01	C06	doub	1.39Å	1.42Å	Aromatic
C05	C06	sing	1.39Å	1.43Å	Aromatic
C15	H1	sing	1.08Å	1.08Å
C17	H2	sing	1.08Å	1.08Å
C03	H3	sing	1.08Å	1.08Å
C04	H4	sing	1.08Å	1.08Å
C05	H5	sing	1.08Å	1.08Å
C06	H6	sing	1.08Å	1.08Å
C07	H7	sing	1.09Å	1.10Å
C07	H8	sing	1.09Å	1.10Å
C12	H9	sing	1.08Å	1.08Å
C14	H11	sing	1.08Å	1.08Å
C16	H12	sing	1.08Å	1.08Å
O18	H10	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C12	N13	B09	117.9°	122.3°
N13	C12	C11	126.9°	120.4°
N13	C12	H9	116.6°	119.8°
N13	B09	O18	106.7°	112.1°
N13	B09	C02	122.7°	108.5°
N13	B09	N08	107.3°	110.4°
C12	C11	C17	125.1°	120.1°
C12	C11	C10	113.4°	119.8°
C11	C12	H9	116.5°	119.8°
C11	C17	C16	124.7°	119.9°
C17	C11	C10	121.4°	120.1°
C11	C17	H2	117.6°	120.1°
C17	C16	C15	115.9°	120.1°
C16	C17	H2	117.6°	120.0°
C17	C16	H12	122.0°	120.0°
C11	C10	N08	120.8°	121.5°
C11	C10	C14	109.6°	119.0°
O18	B09	C02	107.4°	112.0°
O18	B09	N08	105.2°	111.9°
B09	O18	H10	109.5°	114.0°
C02	B09	N08	106.3°	101.4°
B09	C02	C03	133.8°	129.8°
B09	C02	C01	106.9°	108.0°
B09	N08	C10	121.4°	113.4°
B09	N08	C07	95.1°	101.7°
C16	C15	C14	120.2°	120.6°
C16	C15	H1	119.9°	119.7°
C15	C16	H12	122.1°	120.0°
C02	C03	C04	122.0°	116.9°
C03	C02	C01	119.3°	122.2°
C02	C03	H3	119.0°	121.5°
C03	C04	C05	119.0°	121.3°
C04	C03	H3	119.0°	121.6°
C03	C04	H4	120.5°	119.4°
N08	C10	C14	129.6°	119.6°
C10	N08	C07	136.2°	112.8°
C10	C14	C15	128.1°	120.4°
C10	C14	H11	115.9°	119.8°
C02	C01	C07	106.3°	110.9°
C02	C01	C06	118.8°	120.6°
N08	C07	C01	111.1°	105.6°
N08	C07	H7	109.0°	110.2°
N08	C07	H8	109.1°	110.3°
C14	C15	H1	119.9°	119.7°
C15	C14	H11	116.0°	119.8°
C04	C05	C06	118.8°	121.9°
C05	C04	H4	120.5°	119.3°
C04	C05	H5	120.6°	119.1°
C07	C01	C06	134.8°	128.5°
C01	C07	H7	109.1°	110.2°
C01	C07	H8	109.1°	110.2°
C01	C06	C05	122.1°	117.1°
C01	C06	H6	118.9°	121.4°
C06	C05	H5	120.6°	119.1°
C05	C06	H6	119.0°	121.4°
H7	C07	H8	109.5°	110.2°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N13	C12	C11	H9	180.0°	179.9°
N13	C12	C11	C17	154.5°	163.1°
N13	C12	C11	C10	24.9°	17.3°
C12	N13	B09	O18	147.1°	99.2°
C12	N13	B09	C02	88.6°	136.6°
C12	N13	B09	N08	34.7°	26.3°
B09	N13	C12	C11	44.8°	0.4°
N13	B09	O18	C02	133.3°	122.2°
N13	B09	O18	N08	113.8°	124.7°
N13	B09	C02	N08	123.8°	116.2°
N13	B09	C02	C03	33.6°	83.5°
N13	B09	N08	C10	12.8°	39.0°
N13	B09	C02	C01	146.8°	96.6°
N13	B09	N08	C07	167.4°	82.3°
B09	N13	C12	H9	135.2°	179.5°
N13	B09	O18	H10	180.0°	60.7°
C12	C11	C17	C10	179.3°	179.6°
C12	C11	C17	C16	179.9°	179.1°
C12	C11	C10	N08	0.8°	1.3°
C12	C11	C10	C14	179.9°	179.0°
C12	C11	C17	H2	0.1°	1.0°
C11	C17	C16	H2	180.0°	180.0°
C11	C17	C16	C15	0.4°	0.1°
C17	C11	C10	N08	179.8°	179.1°
C17	C11	C10	C14	0.5°	0.6°
C17	C11	C12	H9	25.4°	17.0°
C11	C17	C16	H12	179.6°	180.0°
C16	C17	C11	C10	0.5°	0.5°
C17	C16	C15	H12	180.0°	179.9°
C17	C16	C15	C14	0.3°	0.2°
C17	C16	C15	H1	179.8°	179.9°
C11	C10	N08	B09	2.8°	26.4°
C11	C10	N08	C14	179.2°	179.7°
C11	C10	N08	C07	139.1°	88.4°
C11	C10	C14	C15	0.4°	0.3°
C10	C11	C17	H2	179.5°	179.4°
C10	C11	C12	H9	155.2°	162.6°
C11	C10	C14	H11	179.6°	179.6°
O18	B09	C02	N08	112.2°	119.5°
O18	B09	C02	C03	90.4°	40.8°
O18	B09	N08	C10	126.2°	86.6°
O18	B09	C02	C01	89.2°	139.1°
O18	B09	N08	C07	79.2°	152.1°
B09	C02	C03	C01	179.6°	179.9°
B09	C02	C03	C04	179.9°	179.7°
C02	B09	N08	C10	120.1°	153.8°
C02	B09	N08	C07	34.5°	32.5°
B09	C02	C01	C07	0.4°	0.8°
B09	C02	C01	C06	179.9°	179.6°
B09	C02	C03	H3	0.2°	0.3°
C02	B09	O18	H10	46.7°	61.5°
N08	B09	C02	C03	157.4°	160.3°
B09	N08	C10	C07	141.9°	114.8°
B09	N08	C10	C14	178.0°	153.3°
N08	B09	C02	C01	23.0°	19.6°
B09	N08	C07	C01	35.8°	33.9°
B09	N08	C07	H7	84.5°	85.2°
B09	N08	C07	H8	156.0°	152.9°
N08	B09	O18	H10	66.2°	174.6°
C16	C15	C14	C10	0.3°	0.1°
C16	C15	C14	H1	180.0°	179.9°
C15	C16	C17	H2	179.6°	179.9°
C16	C15	C14	H11	179.7°	180.0°
C02	C03	C04	H3	180.0°	180.0°
C02	C03	C04	C05	0.1°	0.1°
C03	C02	C01	C07	179.9°	179.3°
C03	C02	C01	C06	0.2°	0.3°
C02	C03	C04	H4	179.9°	180.0°
C04	C03	C02	C01	0.2°	0.2°
C03	C04	C05	H4	180.0°	179.9°
C03	C04	C05	C06	0.0°	0.2°
C03	C04	C05	H5	180.0°	179.9°
N08	C10	C14	C15	179.7°	179.5°
C10	N08	C07	C01	112.3°	155.6°
C10	N08	C07	H7	127.4°	36.5°
C10	N08	C07	H8	7.9°	85.4°
N08	C10	C14	H11	0.4°	0.7°
C14	C10	N08	C07	40.1°	91.8°
C10	C14	C15	H11	180.0°	179.9°
C10	C14	C15	H1	179.7°	180.0°
C02	C01	C07	N08	24.9°	23.4°
C02	C01	C07	C06	179.7°	179.6°
C02	C01	C06	C05	0.0°	0.2°
C01	C02	C03	H3	179.8°	179.8°
C02	C01	C06	H6	180.0°	179.9°
C02	C01	C07	H7	95.4°	95.6°
C02	C01	C07	H8	145.1°	142.5°
N08	C07	C01	H7	120.2°	119.0°
N08	C07	C01	H8	120.3°	119.1°
N08	C07	C01	C06	154.8°	157.0°
N08	C07	H7	H8	119.3°	121.9°
C14	C15	C16	H12	179.8°	179.7°
C04	C05	C06	C01	0.1°	0.0°
C04	C05	C06	H5	180.0°	179.9°
C05	C04	C03	H3	179.9°	179.9°
C04	C05	C06	H6	179.9°	179.9°
C07	C01	C06	C05	179.6°	179.3°
C07	C01	C06	H6	0.3°	0.6°
C01	C07	H7	H8	119.3°	121.9°
C01	C06	C05	H6	180.0°	179.9°
C01	C06	C05	H5	179.9°	180.0°
C06	C01	C07	H7	85.0°	83.9°
C06	C01	C07	H8	34.6°	37.9°
C06	C05	C04	H4	180.0°	179.9°
H1	C15	C14	H11	0.3°	0.1°
H1	C15	C16	H12	0.2°	0.2°
H2	C17	C16	H12	0.4°	0.1°
H3	C03	C04	H4	0.1°	0.1°
H4	C04	C05	H5	0.1°	0.0°
H5	C05	C06	H6	0.1°	0.1°

Release date:	2025-03-05
Definition date:	2023-06-02
Last modified:	2025-03-06
Release status:	REL
Processing site:	PDBJ
Derived from:	8ZPA