HCU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O5	P1	doub	1.48Å	1.46Å
C9	O3	sing	1.43Å	1.22Å
C9	C8	sing	1.53Å	1.46Å
O3	P1	sing	1.61Å	1.43Å
C7	C6	sing	1.53Å	1.48Å
C7	C8	sing	1.53Å	1.38Å
C6	N3	sing	1.47Å	1.45Å
P1	O4	sing	1.61Å	1.34Å
C8	C10	sing	1.53Å	1.38Å
C10	O2	sing	1.43Å	1.44Å
N3	C5	sing	1.36Å	1.32Å	Aromatic
N3	C3	sing	1.36Å	1.35Å	Aromatic
C5	N4	doub	1.30Å	1.32Å	Aromatic
C3	N2	sing	1.37Å	1.35Å
C3	C4	doub	1.39Å	1.38Å	Aromatic
N4	C4	sing	1.35Å	1.34Å	Aromatic
N2	C2	sing	1.36Å	1.33Å
C4	C1	sing	1.47Å	1.39Å
C2	N5	sing	1.37Å	1.45Å
C2	N1	doub	1.32Å	1.32Å
C1	N1	sing	1.34Å	1.33Å
C1	O1	doub	1.22Å	1.40Å
P1	O6	sing	1.61Å	1.51Å
C5	H1	sing	1.08Å	1.08Å
C6	H2	sing	1.09Å	1.10Å
C6	H3	sing	1.09Å	1.10Å
C7	H4	sing	1.09Å	1.10Å
C7	H5	sing	1.09Å	1.10Å
C8	H6	sing	1.09Å	1.10Å
C10	H7	sing	1.09Å	1.10Å
C10	H8	sing	1.09Å	1.10Å
N2	H9	sing	0.97Å	1.00Å
N5	H10	sing	0.97Å	1.00Å
N5	H11	sing	0.97Å	1.00Å
C9	H12	sing	1.09Å	1.10Å
C9	H13	sing	1.09Å	1.10Å
O2	H14	sing	0.97Å	0.95Å
O4	H15	sing	0.97Å	0.95Å
O6	H16	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O5	P1	O3	110.4°	109.4°
O5	P1	O4	109.5°	109.5°
O5	P1	O6	112.3°	109.5°
O3	C9	C8	108.4°	109.5°
C9	O3	P1	138.0°	123.0°
O3	C9	H12	109.7°	109.4°
O3	C9	H13	109.7°	109.4°
C9	C8	C7	132.7°	109.5°
C9	C8	C10	120.5°	109.5°
C9	C8	H6	99.7°	109.4°
C8	C9	H12	109.8°	109.5°
C8	C9	H13	109.7°	109.5°
O3	P1	O4	110.5°	109.5°
O3	P1	O6	101.0°	109.5°
C6	C7	C8	103.8°	109.5°
C7	C6	N3	111.3°	109.5°
C7	C6	H2	109.0°	109.5°
C7	C6	H3	109.0°	109.5°
C6	C7	H4	110.9°	109.4°
C6	C7	H5	110.9°	109.5°
C7	C8	C10	97.3°	109.5°
C8	C7	H4	110.9°	109.5°
C8	C7	H5	110.9°	109.5°
C7	C8	H6	100.2°	109.5°
C6	N3	C5	123.4°	126.2°
C6	N3	C3	127.8°	126.2°
N3	C6	H2	109.0°	109.4°
N3	C6	H3	109.0°	109.5°
O4	P1	O6	112.8°	109.4°
P1	O4	H15	109.5°	113.9°
C8	C10	O2	110.5°	109.5°
C10	C8	H6	100.2°	109.5°
C8	C10	H7	109.2°	109.5°
C8	C10	H8	109.2°	109.5°
O2	C10	H7	109.2°	109.5°
O2	C10	H8	109.2°	109.5°
C10	O2	H14	109.5°	114.0°
C5	N3	C3	108.8°	107.6°
N3	C5	N4	109.0°	109.5°
N3	C5	H1	125.5°	125.3°
N3	C3	N2	134.7°	134.7°
N3	C3	C4	106.3°	106.4°
C5	N4	C4	108.9°	109.1°
N4	C5	H1	125.5°	125.2°
N2	C3	C4	119.0°	118.9°
C3	N2	C2	120.7°	120.5°
C3	N2	H9	119.6°	119.7°
C3	C4	N4	106.9°	107.4°
C3	C4	C1	118.5°	118.1°
N4	C4	C1	134.6°	134.5°
N2	C2	N5	119.1°	118.7°
N2	C2	N1	121.4°	122.5°
C2	N2	H9	119.7°	119.8°
C4	C1	N1	119.5°	118.6°
C4	C1	O1	121.8°	120.7°
N5	C2	N1	119.5°	118.8°
C2	N5	H10	120.0°	120.0°
C2	N5	H11	120.0°	120.0°
C2	N1	C1	120.9°	121.4°
N1	C1	O1	118.7°	120.7°
P1	O6	H16	109.5°	114.0°
H2	C6	H3	109.5°	109.5°
H4	C7	H5	109.5°	109.5°
H7	C10	H8	109.5°	109.4°
H10	N5	H11	120.0°	120.0°
H12	C9	H13	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O5	P1	O3	C9	40.2°	55.1°
O5	P1	O3	O4	121.3°	120.0°
O5	P1	O3	O6	119.0°	120.0°
O5	P1	O4	O6	125.9°	120.1°
O5	P1	O4	H15	0.0°	60.0°
O5	P1	O6	H16	0.0°	180.0°
O3	C9	C8	H12	119.8°	120.0°
O3	C9	C8	H13	119.8°	120.0°
O3	C9	C8	C7	74.8°	175.0°
C9	O3	P1	O4	81.2°	175.0°
O3	C9	C8	C10	147.1°	65.0°
C9	O3	P1	O6	159.2°	65.0°
O3	C9	C8	H6	39.0°	55.0°
O3	C9	H12	H13	120.5°	119.9°
C8	C9	O3	P1	137.6°	180.0°
C9	C8	C7	C6	78.6°	65.7°
C9	C8	C7	C10	144.5°	120.0°
C9	C8	C7	H6	113.6°	120.0°
C9	C8	C10	H6	107.8°	119.9°
C9	C8	C10	O2	92.0°	175.2°
C9	C8	C7	H4	40.5°	54.3°
C9	C8	C7	H5	162.3°	174.3°
C9	C8	C10	H7	28.2°	55.1°
C9	C8	C10	H8	147.9°	64.8°
C8	C9	H12	H13	120.5°	120.1°
O3	P1	O4	O6	112.2°	120.0°
P1	O3	C9	H12	17.8°	60.0°
P1	O3	C9	H13	102.6°	59.9°
O3	P1	O4	H15	121.9°	180.0°
O3	P1	O6	H16	117.6°	60.0°
C6	C7	C8	H4	119.1°	119.9°
C6	C7	C8	H5	119.1°	120.0°
C7	C6	N3	H2	120.3°	120.0°
C7	C6	N3	H3	120.3°	120.1°
C6	C7	C8	C10	136.9°	174.3°
C7	C6	N3	C5	60.5°	95.0°
C7	C6	N3	C3	118.5°	85.0°
C7	C6	H2	H3	119.2°	120.0°
C6	C7	H4	H5	122.6°	120.0°
C6	C7	C8	H6	35.1°	54.3°
C8	C7	C6	N3	106.2°	174.7°
C7	C8	C10	H6	101.8°	120.1°
C7	C8	C10	O2	117.7°	64.8°
C8	C7	C6	H2	133.5°	54.8°
C8	C7	C6	H3	14.0°	65.2°
C8	C7	H4	H5	122.7°	120.0°
C7	C8	C10	H7	122.2°	175.1°
C7	C8	C10	H8	2.5°	55.2°
C7	C8	C9	H12	165.4°	55.0°
C7	C8	C9	H13	45.0°	65.0°
C6	N3	C5	C3	179.2°	180.0°
C6	N3	C5	N4	179.7°	179.9°
C6	N3	C3	N2	0.7°	0.1°
C6	N3	C3	C4	179.6°	180.0°
C6	N3	C5	H1	0.3°	0.0°
N3	C6	H2	H3	119.1°	120.0°
N3	C6	C7	H4	134.7°	65.3°
N3	C6	C7	H5	12.9°	54.8°
O4	P1	O6	H16	124.4°	60.0°
C8	C10	O2	H7	120.1°	120.1°
C8	C10	O2	H8	120.1°	120.0°
C10	C8	C7	H4	104.0°	65.7°
C10	C8	C7	H5	17.8°	54.3°
C8	C10	H7	H8	119.5°	120.0°
C10	C8	C9	H12	27.3°	175.0°
C10	C8	C9	H13	93.1°	55.0°
C8	C10	O2	H14	180.0°	180.0°
O2	C10	C8	H6	15.8°	55.3°
O2	C10	H7	H8	119.6°	120.0°
N3	C5	N4	H1	180.0°	180.0°
C5	N3	C3	N2	179.9°	180.0°
C5	N3	C3	C4	0.4°	0.0°
N3	C5	N4	C4	0.4°	0.1°
C5	N3	C6	H2	59.8°	25.0°
C5	N3	C6	H3	179.2°	145.0°
C3	N3	C5	N4	0.5°	0.1°
N3	C3	N2	C4	179.7°	179.9°
N3	C3	C4	N4	0.2°	0.0°
N3	C3	N2	C2	179.8°	180.0°
N3	C3	C4	C1	179.3°	180.0°
C3	N3	C5	H1	179.5°	180.0°
C3	N3	C6	H2	121.2°	155.0°
C3	N3	C6	H3	1.8°	35.0°
N3	C3	N2	H9	0.2°	0.0°
C5	N4	C4	C3	0.1°	0.1°
C5	N4	C4	C1	178.8°	180.0°
N2	C3	C4	N4	179.9°	179.9°
C3	N2	C2	H9	180.0°	180.0°
N2	C3	C4	C1	0.9°	0.1°
C3	N2	C2	N5	179.9°	179.9°
C3	N2	C2	N1	1.3°	0.0°
C3	C4	N4	C1	178.9°	180.0°
C4	C3	N2	C2	0.1°	0.1°
C3	C4	C1	N1	2.9°	0.0°
C3	C4	C1	O1	178.8°	180.0°
C4	C3	N2	H9	179.9°	180.0°
N4	C4	C1	N1	178.3°	179.9°
N4	C4	C1	O1	2.4°	0.1°
C4	N4	C5	H1	179.6°	179.9°
N2	C2	N5	N1	178.7°	180.0°
N2	C2	N1	C1	3.4°	0.0°
N2	C2	N5	H10	178.7°	180.0°
N2	C2	N5	H11	1.3°	0.0°
C4	C1	N1	C2	4.1°	0.0°
C4	C1	N1	O1	176.0°	180.0°
N5	C2	N1	C1	178.0°	180.0°
N5	C2	N2	H9	0.0°	0.1°
C2	N5	H10	H11	180.0°	180.0°
C2	N1	C1	O1	179.8°	180.0°
N1	C2	N2	H9	178.7°	180.0°
N1	C2	N5	H10	0.0°	0.0°
N1	C2	N5	H11	180.0°	180.0°
O6	P1	O4	H15	125.9°	60.0°
H2	C6	C7	H4	14.4°	174.8°
H2	C6	C7	H5	107.4°	65.2°
H3	C6	C7	H4	105.0°	54.8°
H3	C6	C7	H5	133.2°	174.8°
H4	C7	C8	H6	154.1°	174.2°
H5	C7	C8	H6	84.0°	65.7°
H6	C8	C10	H7	135.9°	64.8°
H6	C8	C10	H8	104.3°	175.3°
H6	C8	C9	H12	80.8°	65.0°
H6	C8	C9	H13	158.9°	175.0°
H7	C10	O2	H14	59.8°	59.9°
H8	C10	O2	H14	59.9°	60.0°

Release date:	2021-12-15
Definition date:	2020-12-17
Last modified:	2021-12-10
Release status:	REL
Processing site:	PDBJ
Derived from:	7DOI