A1A7D

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C8	C7	doub	1.33Å	1.35Å	Aromatic
C8	S1	sing	1.76Å	1.70Å	Aromatic
C7	C6	sing	1.38Å	1.44Å	Aromatic
S1	C5	sing	1.76Å	1.72Å	Aromatic
C6	C5	doub	1.33Å	1.36Å	Aromatic
C5	C4	sing	1.51Å	1.49Å
C3	C4	sing	1.55Å	1.56Å
C3	C2	sing	1.55Å	1.52Å
C4	N1	sing	1.47Å	1.48Å
C2	C1	sing	1.51Å	1.52Å
N1	C1	sing	1.34Å	1.42Å
N1	N2	sing	1.40Å	1.39Å
C1	O1	doub	1.21Å	1.21Å
N2	C9	sing	1.38Å	1.39Å
C9	C12	doub	1.40Å	1.44Å	Aromatic
C9	N3	sing	1.33Å	1.37Å	Aromatic
C13	C12	sing	1.46Å	1.44Å	Aromatic
C13	C14	doub	1.34Å	1.38Å	Aromatic
C12	C11	sing	1.41Å	1.43Å	Aromatic
N3	C10	doub	1.32Å	1.38Å	Aromatic
C14	CL1	sing	1.74Å	1.67Å
C14	N5	sing	1.37Å	1.40Å	Aromatic
C11	N5	sing	1.37Å	1.38Å	Aromatic
C11	N4	doub	1.33Å	1.37Å	Aromatic
C10	N4	sing	1.32Å	1.34Å	Aromatic
C2	H3	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C3	H4	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C4	H1	sing	1.09Å	1.10Å
C6	H6	sing	1.08Å	1.08Å
C7	H7	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
C10	H10	sing	1.08Å	1.08Å
C13	H11	sing	1.08Å	1.08Å
N2	H9	sing	0.97Å	1.00Å
N5	H12	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C7	C8	S1	112.1°	109.6°
C8	C7	C6	112.1°	114.9°
C8	C7	H7	123.9°	122.6°
C7	C8	H8	123.9°	125.2°
C8	S1	C5	92.4°	90.9°
S1	C8	H8	123.9°	125.2°
C7	C6	C5	112.8°	114.9°
C7	C6	H6	123.6°	122.6°
C6	C7	H7	124.0°	122.5°
S1	C5	C6	110.5°	109.6°
S1	C5	C4	123.9°	125.2°
C6	C5	C4	125.6°	125.2°
C5	C6	H6	123.6°	122.5°
C5	C4	C3	108.5°	110.2°
C5	C4	N1	112.4°	110.1°
C5	C4	H1	110.6°	110.3°
C4	C3	C2	106.8°	101.8°
C3	C4	N1	104.8°	105.4°
C4	C3	H4	110.1°	111.0°
C4	C3	H5	110.1°	111.0°
C3	C4	H1	109.6°	110.3°
C3	C2	C1	106.4°	104.2°
C3	C2	H3	110.2°	110.5°
C3	C2	H2	110.2°	110.6°
C2	C3	H4	110.1°	110.8°
C2	C3	H5	110.1°	111.2°
C4	N1	C1	112.8°	111.3°
C4	N1	N2	120.7°	124.3°
N1	C4	H1	110.7°	110.5°
C2	C1	N1	108.6°	110.1°
C2	C1	O1	125.9°	124.9°
C1	C2	H3	110.2°	110.5°
C1	C2	H2	110.2°	110.5°
C1	N1	N2	126.4°	124.3°
N1	C1	O1	125.5°	124.9°
N1	N2	C9	132.8°	120.0°
N1	N2	H9	103.4°	120.0°
N2	C9	C12	120.9°	120.8°
N2	C9	N3	119.1°	120.8°
C9	N2	H9	103.3°	119.9°
C12	C9	N3	120.1°	118.3°
C9	C12	C13	140.3°	135.1°
C9	C12	C11	115.0°	118.6°
C9	N3	C10	117.4°	121.0°
C12	C13	C14	107.9°	106.8°
C13	C12	C11	104.6°	106.2°
C12	C13	H11	126.1°	126.6°
C13	C14	CL1	133.5°	125.2°
C13	C14	N5	110.8°	109.8°
C14	C13	H11	126.1°	126.6°
C12	C11	N5	110.5°	107.2°
C12	C11	N4	126.6°	118.5°
N3	C10	N4	129.4°	122.7°
N3	C10	H10	115.3°	118.7°
CL1	C14	N5	115.7°	125.1°
C14	N5	C11	106.2°	110.0°
C14	N5	H12	126.9°	125.0°
N5	C11	N4	123.0°	134.3°
C11	N5	H12	126.9°	125.0°
C11	N4	C10	111.6°	120.7°
N4	C10	H10	115.3°	118.6°
H3	C2	H2	109.5°	110.4°
H4	C3	H5	109.5°	110.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C7	C8	S1	H8	180.0°	179.8°
C8	C7	C6	H7	180.0°	180.0°
C7	C8	S1	C5	0.3°	0.3°
C8	C7	C6	C5	0.3°	0.0°
C8	C7	C6	H6	179.8°	180.0°
S1	C8	C7	C6	0.1°	0.2°
C8	S1	C5	C6	0.5°	0.3°
C8	S1	C5	C4	179.1°	179.9°
S1	C8	C7	H7	179.9°	179.8°
C7	C6	C5	S1	0.5°	0.2°
C7	C6	C5	H6	180.0°	180.0°
C7	C6	C5	C4	179.1°	180.0°
C6	C7	C8	H8	179.8°	180.0°
S1	C5	C6	C4	178.6°	179.8°
S1	C5	C4	C3	54.4°	79.7°
S1	C5	C4	N1	61.1°	36.2°
S1	C5	C4	H1	174.6°	158.3°
S1	C5	C6	H6	179.5°	179.8°
C5	S1	C8	H8	179.6°	179.9°
C6	C5	C4	C3	127.2°	100.1°
C6	C5	C4	N1	117.4°	144.1°
C6	C5	C4	H1	7.0°	21.9°
C5	C6	C7	H7	179.7°	180.0°
C5	C4	C3	N1	120.3°	118.8°
C5	C4	C3	H1	120.8°	122.0°
C5	C4	C3	C2	127.7°	144.4°
C5	C4	N1	H1	124.3°	122.1°
C5	C4	N1	C1	121.7°	136.3°
C5	C4	N1	N2	55.8°	44.1°
C5	C4	C3	H4	8.2°	97.7°
C5	C4	C3	H5	112.7°	26.0°
C4	C5	C6	H6	0.9°	0.0°
C4	C3	C2	H4	119.6°	118.0°
C4	C3	C2	H5	119.6°	118.2°
C3	C4	N1	H1	118.1°	119.1°
C4	C3	C2	C1	8.1°	24.8°
C3	C4	N1	C1	4.0°	17.4°
C3	C4	N1	N2	173.5°	163.0°
C4	C3	C2	H3	127.7°	93.9°
C4	C3	C2	H2	111.4°	143.6°
C4	C3	H4	H5	121.3°	123.8°
C2	C3	C4	N1	7.4°	25.6°
C3	C2	C1	H3	119.5°	118.7°
C3	C2	C1	H2	119.5°	118.9°
C3	C2	C1	N1	5.9°	16.0°
C3	C2	C1	O1	174.6°	163.7°
C3	C2	H3	H2	121.4°	122.7°
C2	C3	H4	H5	121.2°	123.9°
C2	C3	C4	H1	111.4°	93.6°
C4	N1	C1	C2	1.1°	0.8°
C4	N1	C1	N2	177.3°	179.6°
C4	N1	C1	O1	179.4°	179.5°
C4	N1	N2	C9	119.6°	105.0°
N1	C4	C3	H4	112.2°	143.6°
N1	C4	C3	H5	127.0°	92.7°
C4	N1	N2	H9	3.3°	75.0°
C2	C1	N1	O1	179.5°	179.7°
C2	C1	N1	N2	178.4°	179.5°
C1	C2	H3	H2	121.4°	122.6°
C1	C2	C3	H4	111.4°	142.8°
C1	C2	C3	H5	127.7°	93.4°
C1	N1	N2	C9	63.3°	75.5°
N1	C1	C2	H3	125.4°	102.7°
N1	C1	C2	H2	113.6°	134.8°
C1	N1	C4	H1	114.1°	101.7°
C1	N1	N2	H9	173.7°	104.6°
N2	N1	C1	O1	2.1°	0.1°
N1	N2	C9	H9	123.0°	180.0°
N1	N2	C9	C12	178.4°	180.0°
N1	N2	C9	N3	1.5°	0.3°
N2	N1	C4	H1	68.5°	77.9°
O1	C1	C2	H3	55.1°	77.6°
O1	C1	C2	H2	65.9°	44.8°
N2	C9	C12	N3	179.9°	179.7°
N2	C9	C12	C13	0.0°	0.2°
N2	C9	C12	C11	179.9°	179.7°
N2	C9	N3	C10	179.8°	179.7°
C9	C12	C13	C11	179.9°	180.0°
C9	C12	C13	C14	179.9°	180.0°
C12	C9	N3	C10	0.1°	0.0°
C9	C12	C11	N5	180.0°	180.0°
C9	C12	C11	N4	0.0°	0.0°
C9	C12	C13	H11	0.1°	0.1°
C12	C9	N2	H9	58.6°	0.0°
N3	C9	C12	C13	179.9°	179.9°
N3	C9	C12	C11	0.0°	0.0°
C9	N3	C10	N4	0.1°	0.0°
C9	N3	C10	H10	179.9°	180.0°
N3	C9	N2	H9	121.5°	179.7°
C12	C13	C14	H11	180.0°	179.9°
C12	C13	C14	CL1	180.0°	180.0°
C12	C13	C14	N5	0.0°	0.0°
C13	C12	C11	N5	0.1°	0.0°
C13	C12	C11	N4	179.9°	179.9°
C14	C13	C12	C11	0.0°	0.0°
C13	C14	CL1	N5	180.0°	180.0°
C13	C14	N5	C11	0.0°	0.1°
C13	C14	N5	H12	180.0°	180.0°
C12	C11	N5	C14	0.1°	0.0°
C12	C11	N5	N4	180.0°	179.9°
C12	C11	N4	C10	0.0°	0.0°
C11	C12	C13	H11	180.0°	180.0°
C12	C11	N5	H12	179.9°	179.9°
N3	C10	N4	C11	0.1°	0.0°
N3	C10	N4	H10	180.0°	180.0°
CL1	C14	N5	C11	180.0°	180.0°
CL1	C14	C13	H11	0.0°	0.1°
CL1	C14	N5	H12	0.0°	0.1°
C14	N5	C11	H12	180.0°	179.9°
C14	N5	C11	N4	179.9°	179.9°
N5	C14	C13	H11	180.0°	180.0°
N5	C11	N4	C10	180.0°	179.9°
C11	N4	C10	H10	179.9°	180.0°
N4	C11	N5	H12	0.1°	0.2°
H3	C2	C3	H4	8.1°	24.2°
H3	C2	C3	H5	112.8°	147.9°
H2	C2	C3	H4	129.1°	98.4°
H2	C2	C3	H5	8.2°	25.4°
H4	C3	C4	H1	129.0°	24.3°
H5	C3	C4	H1	8.1°	148.1°
H6	C6	C7	H7	0.2°	0.0°
H7	C7	C8	H8	0.1°	0.0°

Release date:	2025-08-20
Definition date:	2024-09-17
Last modified:	2025-08-15
Release status:	REL
Processing site:	RCSB
Derived from:	7HI3