A1A6N

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C3	sing	1.43Å	1.39Å
C2	C1	sing	1.53Å	1.52Å
C2	C3	sing	1.53Å	1.55Å
C3	C4	sing	1.54Å	1.55Å
C3	C12	sing	1.54Å	1.56Å
C4	C5	sing	1.54Å	1.54Å
C12	N1	sing	1.49Å	1.47Å
C5	N1	sing	1.49Å	1.48Å
N1	C6	sing	1.38Å	1.44Å
C6	C9	doub	1.40Å	1.42Å	Aromatic
C6	N2	sing	1.33Å	1.36Å	Aromatic
C10	C9	sing	1.46Å	1.44Å	Aromatic
C10	C11	doub	1.34Å	1.39Å	Aromatic
C9	C8	sing	1.41Å	1.41Å	Aromatic
N2	C7	doub	1.32Å	1.37Å	Aromatic
C11	N4	sing	1.37Å	1.41Å	Aromatic
C7	N3	sing	1.31Å	1.34Å	Aromatic
C8	N4	sing	1.37Å	1.39Å	Aromatic
C8	N3	doub	1.33Å	1.36Å	Aromatic
C12	H15	sing	1.09Å	1.10Å
C12	H16	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C10	H12	sing	1.08Å	1.08Å
C11	H13	sing	1.08Å	1.08Å
C2	H4	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C4	H8	sing	1.09Å	1.10Å
C4	H7	sing	1.09Å	1.10Å
C5	H9	sing	1.09Å	1.10Å
C5	H10	sing	1.09Å	1.10Å
C7	H11	sing	1.08Å	1.08Å
N4	H14	sing	0.97Å	1.00Å
O1	H6	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C3	C2	109.3°	110.4°
O1	C3	C4	104.5°	110.3°
O1	C3	C12	109.6°	110.3°
C3	O1	H6	109.5°	114.0°
C1	C2	C3	115.3°	109.5°
C2	C1	H3	109.5°	109.4°
C2	C1	H2	109.5°	109.5°
C2	C1	H1	109.4°	109.4°
C1	C2	H4	108.0°	109.5°
C1	C2	H5	108.0°	109.5°
C2	C3	C4	114.4°	110.4°
C2	C3	C12	113.8°	110.4°
C3	C2	H4	108.0°	109.5°
C3	C2	H5	108.0°	109.4°
C4	C3	C12	104.9°	105.1°
C3	C4	C5	106.1°	105.1°
C3	C4	H8	110.3°	110.3°
C3	C4	H7	110.3°	110.3°
C3	C12	N1	105.5°	104.6°
C3	C12	H15	110.5°	110.4°
C3	C12	H16	110.4°	110.4°
C4	C5	N1	107.0°	104.6°
C5	C4	H8	110.3°	110.3°
C5	C4	H7	110.3°	110.3°
C4	C5	H9	110.1°	110.4°
C4	C5	H10	110.1°	110.4°
C12	N1	C5	107.9°	104.2°
C12	N1	C6	117.8°	111.0°
N1	C12	H15	110.4°	110.4°
N1	C12	H16	110.5°	110.4°
C5	N1	C6	117.0°	111.0°
N1	C5	H9	110.1°	110.4°
N1	C5	H10	110.1°	110.4°
N1	C6	C9	116.2°	120.8°
N1	C6	N2	122.4°	120.8°
C9	C6	N2	121.4°	118.4°
C6	C9	C10	137.0°	135.1°
C6	C9	C8	116.2°	118.7°
C6	N2	C7	116.2°	121.0°
C9	C10	C11	107.4°	106.8°
C10	C9	C8	106.7°	106.2°
C9	C10	H12	126.3°	126.6°
C10	C11	N4	109.2°	109.9°
C11	C10	H12	126.3°	126.6°
C10	C11	H13	125.4°	125.0°
C9	C8	N4	109.2°	107.2°
C9	C8	N3	123.6°	118.5°
N2	C7	N3	128.0°	122.7°
N2	C7	H11	116.0°	118.6°
C11	N4	C8	107.5°	110.0°
N4	C11	H13	125.4°	125.1°
C11	N4	H14	126.2°	125.0°
C7	N3	C8	114.6°	120.7°
N3	C7	H11	116.0°	118.6°
N4	C8	N3	127.2°	134.3°
C8	N4	H14	126.3°	125.0°
H15	C12	H16	109.4°	110.5°
H3	C1	H2	109.5°	109.5°
H3	C1	H1	109.5°	109.4°
H2	C1	H1	109.4°	109.6°
H4	C2	H5	109.4°	109.5°
H8	C4	H7	109.5°	110.4°
H9	C5	H10	109.5°	110.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C3	C2	C1	178.7°	60.7°
O1	C3	C2	C4	116.7°	122.1°
O1	C3	C2	C12	122.8°	122.2°
O1	C3	C4	C12	115.3°	118.9°
O1	C3	C4	C5	106.3°	118.9°
O1	C3	C12	N1	87.7°	95.0°
O1	C3	C12	H15	152.9°	146.2°
O1	C3	C12	H16	31.7°	23.8°
O1	C3	C2	H4	57.8°	59.3°
O1	C3	C2	H5	60.4°	179.3°
O1	C3	C4	H8	13.2°	0.0°
O1	C3	C4	H7	134.3°	122.2°
C1	C2	C3	H4	120.9°	120.0°
C1	C2	C3	H5	120.9°	120.0°
C1	C2	C3	C4	64.6°	61.4°
C1	C2	C3	C12	55.9°	177.1°
C2	C1	H3	H2	120.0°	120.0°
C2	C1	H3	H1	120.0°	119.9°
C2	C1	H2	H1	119.9°	120.0°
C1	C2	H4	H5	117.3°	120.0°
C2	C3	C4	C12	125.3°	119.0°
C2	C3	C4	C5	134.3°	118.9°
C2	C3	C12	N1	149.7°	142.8°
C2	C3	C12	H15	30.3°	24.0°
C2	C3	C12	H16	90.9°	98.4°
C3	C2	C1	H3	180.0°	60.0°
C3	C2	C1	H2	60.0°	60.0°
C3	C2	C1	H1	60.0°	179.9°
C3	C2	H4	H5	117.3°	120.0°
C2	C3	C4	H8	106.2°	122.2°
C2	C3	C4	H7	14.9°	0.1°
C2	C3	O1	H6	180.0°	60.7°
C3	C4	C5	H8	119.5°	118.9°
C3	C4	C5	H7	119.5°	118.9°
C4	C3	C12	N1	24.0°	23.8°
C3	C4	C5	N1	9.0°	23.9°
C4	C3	C12	H15	95.4°	94.9°
C4	C3	C12	H16	143.4°	142.6°
C4	C3	C2	H4	174.5°	178.6°
C4	C3	C2	H5	56.3°	58.6°
C3	C4	H8	H7	121.6°	122.2°
C3	C4	C5	H9	128.6°	142.7°
C3	C4	C5	H10	110.6°	94.9°
C4	C3	O1	H6	57.2°	61.5°
C12	C3	C4	C5	9.0°	0.0°
C3	C12	N1	H15	119.4°	118.7°
C3	C12	N1	H16	119.4°	118.8°
C3	C12	N1	C5	30.6°	39.5°
C3	C12	N1	C6	165.7°	159.0°
C3	C12	H15	H16	121.8°	122.4°
C12	C3	C2	H4	65.0°	62.9°
C12	C3	C2	H5	176.8°	57.1°
C12	C3	C4	H8	128.5°	118.9°
C12	C3	C4	H7	110.5°	118.9°
C12	C3	O1	H6	54.7°	177.1°
C4	C5	N1	C12	24.9°	39.5°
C4	C5	N1	H9	119.6°	118.8°
C4	C5	N1	H10	119.6°	118.8°
C4	C5	N1	C6	160.5°	159.0°
C5	C4	H8	H7	121.5°	122.2°
C4	C5	H9	H10	121.1°	122.4°
C12	N1	C5	C6	135.6°	119.5°
C12	N1	C6	C9	150.5°	180.0°
C12	N1	C6	N2	28.9°	0.0°
N1	C12	H15	H16	121.8°	122.5°
C12	N1	C5	H9	144.6°	158.3°
C12	N1	C5	H10	94.7°	79.3°
C5	N1	C6	C9	78.3°	64.6°
C5	N1	C6	N2	102.2°	115.4°
C5	N1	C12	H15	88.8°	79.2°
C5	N1	C12	H16	149.9°	158.3°
N1	C5	C4	H8	110.5°	95.0°
N1	C5	C4	H7	128.5°	142.8°
N1	C5	H9	H10	121.2°	122.4°
N1	C6	C9	N2	179.4°	180.0°
N1	C6	C9	C10	0.0°	0.0°
N1	C6	C9	C8	179.9°	179.9°
N1	C6	N2	C7	179.9°	179.9°
C6	N1	C12	H15	46.3°	40.3°
C6	N1	C12	H16	74.9°	82.2°
C6	N1	C5	H9	79.9°	82.2°
C6	N1	C5	H10	40.9°	40.2°
C6	C9	C10	C8	180.0°	179.9°
C6	C9	C10	C11	179.9°	180.0°
C9	C6	N2	C7	0.7°	0.1°
C6	C9	C8	N4	180.0°	180.0°
C6	C9	C8	N3	0.1°	0.1°
C6	C9	C10	H12	0.2°	0.0°
N2	C6	C9	C10	179.5°	180.0°
N2	C6	C9	C8	0.5°	0.1°
C6	N2	C7	N3	0.5°	0.1°
C6	N2	C7	H11	179.5°	180.0°
C9	C10	C11	H12	180.0°	180.0°
C9	C10	C11	N4	0.2°	0.0°
C10	C9	C8	N4	0.0°	0.1°
C10	C9	C8	N3	179.9°	180.0°
C9	C10	C11	H13	179.8°	180.0°
C11	C10	C9	C8	0.1°	0.0°
C10	C11	N4	H13	180.0°	180.0°
C10	C11	N4	C8	0.2°	0.1°
C10	C11	N4	H14	179.8°	180.0°
C9	C8	N4	C11	0.1°	0.1°
C9	C8	N3	C7	0.1°	0.1°
C9	C8	N4	N3	179.8°	179.9°
C8	C9	C10	H12	179.9°	179.9°
C9	C8	N4	H14	179.9°	179.9°
N2	C7	N3	H11	180.0°	179.9°
N2	C7	N3	C8	0.1°	0.1°
C11	N4	C8	H14	180.0°	180.0°
C11	N4	C8	N3	179.8°	180.0°
N4	C11	C10	H12	179.8°	180.0°
C7	N3	C8	N4	179.8°	180.0°
C8	N4	C11	H13	179.8°	180.0°
C8	N3	C7	H11	179.8°	180.0°
N3	C8	N4	H14	0.3°	0.1°
H3	C1	H2	H1	120.0°	120.0°
H3	C1	C2	H4	59.1°	180.0°
H3	C1	C2	H5	59.1°	60.0°
H2	C1	C2	H4	60.9°	60.0°
H2	C1	C2	H5	179.2°	180.0°
H1	C1	C2	H4	179.1°	60.0°
H1	C1	C2	H5	60.9°	60.0°
H12	C10	C11	H13	0.2°	0.0°
H13	C11	N4	H14	0.2°	0.0°
H8	C4	C5	H9	9.1°	23.7°
H8	C4	C5	H10	129.9°	146.2°
H7	C4	C5	H9	111.9°	98.5°
H7	C4	C5	H10	8.9°	24.0°

Release date:	2025-06-11
Definition date:	2024-09-13
Last modified:	2025-06-06
Release status:	REL
Processing site:	RCSB
Derived from:	7HCT