A1A6V

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	C11	sing	1.54Å	1.57Å
C10	C9	sing	1.54Å	1.56Å
C11	C8	sing	1.54Å	1.55Å
C9	C8	sing	1.54Å	1.55Å
C8	C7	sing	1.53Å	1.59Å
C8	O1	sing	1.43Å	1.41Å
C7	N4	sing	1.46Å	1.48Å
N4	C6	sing	1.38Å	1.42Å
C1	C2	sing	1.51Å	1.48Å
C6	C12	doub	1.40Å	1.45Å	Aromatic
C6	N3	sing	1.33Å	1.38Å	Aromatic
C2	C12	sing	1.46Å	1.47Å	Aromatic
C2	C3	doub	1.34Å	1.40Å	Aromatic
C12	C4	sing	1.41Å	1.44Å	Aromatic
N3	C5	doub	1.32Å	1.38Å	Aromatic
C3	N1	sing	1.37Å	1.36Å	Aromatic
C4	N1	sing	1.37Å	1.36Å	Aromatic
C4	N2	doub	1.33Å	1.36Å	Aromatic
C5	N2	sing	1.32Å	1.33Å	Aromatic
C3	H4	sing	1.08Å	1.08Å
C9	H11	sing	1.09Å	1.10Å
C9	H12	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C10	H14	sing	1.09Å	1.10Å
C10	H13	sing	1.09Å	1.10Å
C11	H15	sing	1.09Å	1.10Å
C11	H16	sing	1.09Å	1.10Å
C5	H6	sing	1.08Å	1.08Å
C7	H9	sing	1.09Å	1.10Å
C7	H8	sing	1.09Å	1.10Å
N1	H5	sing	0.97Å	1.00Å
N4	H7	sing	0.97Å	1.00Å
O1	H10	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C11	C10	C9	89.7°	87.0°
C10	C11	C8	89.3°	87.1°
C11	C10	H14	114.1°	113.6°
C11	C10	H13	114.1°	113.6°
C10	C11	H15	114.3°	113.6°
C10	C11	H16	114.3°	113.6°
C10	C9	C8	89.3°	87.1°
C10	C9	H11	114.3°	113.6°
C10	C9	H12	114.3°	113.7°
C9	C10	H14	114.2°	113.6°
C9	C10	H13	114.2°	113.6°
C11	C8	C9	90.6°	87.1°
C11	C8	C7	112.6°	113.6°
C11	C8	O1	113.9°	113.6°
C8	C11	H15	114.3°	113.6°
C8	C11	H16	114.3°	113.6°
C9	C8	C7	111.8°	113.6°
C9	C8	O1	114.0°	113.6°
C8	C9	H11	114.2°	113.6°
C8	C9	H12	114.3°	113.6°
C7	C8	O1	112.3°	113.0°
C8	C7	N4	114.0°	109.4°
C8	C7	H9	108.3°	109.5°
C8	C7	H8	108.4°	109.5°
C8	O1	H10	109.5°	113.9°
C7	N4	C6	125.5°	120.0°
N4	C7	H9	108.3°	109.5°
N4	C7	H8	108.3°	109.4°
C7	N4	H7	105.3°	120.0°
N4	C6	C12	121.7°	120.8°
N4	C6	N3	120.7°	120.8°
C6	N4	H7	105.3°	120.0°
C1	C2	C12	126.4°	126.6°
C1	C2	C3	126.6°	126.6°
C2	C1	H2	109.5°	109.4°
C2	C1	H3	109.5°	109.5°
C2	C1	H1	109.5°	109.4°
C12	C6	N3	117.6°	118.3°
C6	C12	C2	139.9°	135.1°
C6	C12	C4	114.4°	118.7°
C6	N3	C5	121.5°	121.0°
C12	C2	C3	107.0°	106.8°
C2	C12	C4	105.7°	106.2°
C2	C3	N1	107.7°	109.8°
C2	C3	H4	126.1°	125.0°
C12	C4	N1	106.6°	107.1°
C12	C4	N2	127.1°	118.6°
N3	C5	N2	125.2°	122.7°
N3	C5	H6	117.4°	118.7°
C3	N1	C4	113.0°	110.1°
N1	C3	H4	126.2°	125.1°
C3	N1	H5	123.5°	125.0°
N1	C4	N2	126.3°	134.3°
C4	N1	H5	123.5°	125.0°
C4	N2	C5	114.1°	120.7°
N2	C5	H6	117.4°	118.6°
H11	C9	H12	109.5°	112.8°
H2	C1	H3	109.5°	109.5°
H2	C1	H1	109.4°	109.5°
H3	C1	H1	109.4°	109.5°
H14	C10	H13	109.5°	112.9°
H15	C11	H16	109.5°	112.9°
H9	C7	H8	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C11	C10	C9	H14	116.5°	114.5°
C11	C10	C9	H13	116.5°	114.6°
C10	C11	C8	H15	116.4°	114.5°
C10	C11	C8	H16	116.4°	114.5°
C11	C10	C9	C8	7.8°	25.4°
C10	C11	C8	C7	106.1°	139.9°
C10	C11	C8	O1	124.6°	89.1°
C11	C10	C9	H11	124.2°	89.2°
C11	C10	C9	H12	108.6°	140.0°
C11	C10	H14	H13	129.3°	131.3°
C10	C11	H15	H16	129.6°	131.2°
C10	C9	C8	H11	116.4°	114.6°
C10	C9	C8	H12	116.4°	114.6°
C10	C9	C8	C7	106.8°	140.0°
C10	C9	C8	O1	124.5°	89.1°
C10	C9	H11	H12	129.6°	131.3°
C9	C10	H14	H13	129.4°	131.3°
C9	C10	C11	H15	108.6°	140.0°
C9	C10	C11	H16	124.3°	89.1°
C11	C8	C9	C7	114.7°	114.5°
C11	C8	C9	O1	116.6°	114.6°
C11	C8	C7	O1	130.1°	131.3°
C11	C8	C7	N4	168.6°	77.5°
C11	C8	C9	H11	124.3°	89.1°
C11	C8	C9	H12	108.5°	140.1°
C8	C11	C10	H14	108.7°	89.1°
C8	C11	C10	H13	124.4°	140.0°
C8	C11	H15	H16	129.6°	131.3°
C11	C8	C7	H9	70.7°	42.5°
C11	C8	C7	H8	47.9°	162.5°
C11	C8	O1	H10	180.0°	82.5°
C9	C8	C7	O1	129.5°	131.2°
C9	C8	C7	N4	68.3°	175.0°
C8	C9	H11	H12	129.6°	131.2°
C8	C9	C10	H14	108.7°	89.1°
C8	C9	C10	H13	124.3°	140.0°
C9	C8	C11	H15	108.5°	140.0°
C9	C8	C11	H16	124.3°	89.1°
C9	C8	C7	H9	171.1°	55.0°
C9	C8	C7	H8	52.4°	65.0°
C9	C8	O1	H10	77.9°	180.0°
C8	C7	N4	H9	120.7°	120.0°
C8	C7	N4	H8	120.7°	120.0°
C8	C7	N4	C6	90.7°	180.0°
C7	C8	C9	H11	9.6°	25.4°
C7	C8	C9	H12	136.7°	105.4°
C7	C8	C11	H15	137.4°	105.5°
C7	C8	C11	H16	10.3°	25.4°
C8	C7	H9	H8	118.0°	120.0°
C8	C7	N4	H7	147.1°	0.0°
C7	C8	O1	H10	50.6°	48.8°
O1	C8	C7	N4	61.3°	53.8°
O1	C8	C9	H11	119.0°	156.3°
O1	C8	C9	H12	8.1°	25.5°
O1	C8	C11	H15	8.2°	25.5°
O1	C8	C11	H16	119.0°	156.4°
O1	C8	C7	H9	59.4°	173.8°
O1	C8	C7	H8	178.0°	66.2°
C7	N4	C6	H7	122.1°	180.0°
C7	N4	C6	C12	157.7°	179.9°
C7	N4	C6	N3	21.7°	0.1°
N4	C7	H9	H8	117.9°	120.0°
N4	C6	C12	N3	179.4°	179.9°
N4	C6	C12	C2	0.4°	0.2°
N4	C6	C12	C4	179.7°	180.0°
N4	C6	N3	C5	179.6°	179.9°
C6	N4	C7	H9	29.9°	60.0°
C6	N4	C7	H8	148.6°	60.0°
C1	C2	C12	C6	0.7°	0.1°
C1	C2	C12	C3	179.0°	180.0°
C1	C2	C12	C4	179.2°	180.0°
C1	C2	C3	N1	179.4°	180.0°
C1	C2	C3	H4	0.6°	0.0°
C2	C1	H2	H3	120.0°	120.0°
C2	C1	H2	H1	120.0°	120.0°
C2	C1	H3	H1	120.0°	120.0°
C6	C12	C2	C4	179.9°	179.9°
C6	C12	C2	C3	179.7°	179.9°
C12	C6	N3	C5	0.2°	0.0°
C6	C12	C4	N1	179.9°	179.9°
C6	C12	C4	N2	0.3°	0.1°
C12	C6	N4	H7	35.5°	0.1°
N3	C6	C12	C2	179.8°	179.9°
N3	C6	C12	C4	0.3°	0.1°
C6	N3	C5	N2	0.1°	0.0°
C6	N3	C5	H6	179.9°	180.0°
N3	C6	N4	H7	143.8°	180.0°
C12	C2	C3	N1	0.3°	0.0°
C2	C12	C4	N1	0.0°	0.0°
C2	C12	C4	N2	179.7°	180.0°
C12	C2	C3	H4	179.7°	180.0°
C12	C2	C1	H2	89.4°	90.0°
C12	C2	C1	H3	150.5°	150.0°
C12	C2	C1	H1	30.6°	30.0°
C3	C2	C12	C4	0.2°	0.0°
C2	C3	N1	H4	180.0°	180.0°
C2	C3	N1	C4	0.3°	0.0°
C3	C2	C1	H2	89.4°	90.0°
C3	C2	C1	H3	30.6°	30.0°
C3	C2	C1	H1	150.6°	150.0°
C2	C3	N1	H5	179.6°	179.9°
C12	C4	N1	C3	0.2°	0.0°
C12	C4	N1	N2	179.7°	180.0°
C12	C4	N2	C5	0.3°	0.1°
C12	C4	N1	H5	179.8°	180.0°
N3	C5	N2	C4	0.2°	0.0°
N3	C5	N2	H6	180.0°	180.0°
C3	N1	C4	H5	180.0°	179.9°
C3	N1	C4	N2	179.9°	180.0°
N1	C4	N2	C5	180.0°	180.0°
C4	N1	C3	H4	179.6°	180.0°
C4	N2	C5	H6	179.8°	180.0°
N2	C4	N1	H5	0.1°	0.1°
H4	C3	N1	H5	0.4°	0.1°
H11	C9	C10	H14	7.7°	156.3°
H11	C9	C10	H13	119.3°	25.4°
H12	C9	C10	H14	134.9°	25.5°
H12	C9	C10	H13	7.9°	105.4°
H2	C1	H3	H1	119.9°	120.0°
H14	C10	C11	H15	134.9°	25.5°
H14	C10	C11	H16	7.7°	156.4°
H13	C10	C11	H15	7.9°	105.4°
H13	C10	C11	H16	119.2°	25.4°
H9	C7	N4	H7	92.2°	120.0°
H8	C7	N4	H7	26.4°	120.0°

Release date:	2025-06-11
Definition date:	2024-09-16
Last modified:	2025-06-06
Release status:	REL
Processing site:	RCSB
Derived from:	7HCX