A1BGC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C6	doub	1.32Å	1.35Å	Aromatic
N1	C2	sing	1.32Å	1.33Å	Aromatic
C2A	C2	sing	1.51Å	1.50Å
C6	C5	sing	1.38Å	1.38Å	Aromatic
C2	C3	doub	1.39Å	1.40Å	Aromatic
C5	C5A	sing	1.51Å	1.50Å
C5	C4	doub	1.40Å	1.41Å	Aromatic
C3	C4	sing	1.40Å	1.40Å	Aromatic
C3	O3	sing	1.36Å	1.35Å
OP4	C5A	sing	1.43Å	1.46Å
OP4	P	sing	1.61Å	1.62Å
C4	C4A	sing	1.48Å	1.47Å
OP2	P	doub	1.48Å	1.52Å
P	OP1	sing	1.61Å	1.53Å
P	OP3	sing	1.61Å	1.52Å
C4A	N7	doub	1.29Å	1.28Å
N7	C8	sing	1.46Å	1.46Å
N14	C13	doub	1.32Å	1.34Å	Aromatic
N14	C9	sing	1.32Å	1.34Å	Aromatic
C8	C9	sing	1.51Å	1.51Å
C13	C12	sing	1.38Å	1.37Å	Aromatic
C9	C10	doub	1.38Å	1.38Å	Aromatic
C12	C11	doub	1.39Å	1.37Å	Aromatic
C10	C11	sing	1.39Å	1.38Å	Aromatic
C6	H1	sing	1.08Å	1.08Å
C8	H2	sing	1.09Å	1.10Å
C8	H3	sing	1.09Å	1.10Å
C10	H4	sing	1.08Å	1.08Å
C13	H5	sing	1.08Å	1.08Å
C11	H6	sing	1.08Å	1.08Å
C12	H7	sing	1.08Å	1.08Å
C2A	H8	sing	1.09Å	1.10Å
C2A	H9	sing	1.09Å	1.10Å
C2A	H10	sing	1.09Å	1.10Å
C4A	H11	sing	1.08Å	1.08Å
C5A	H12	sing	1.09Å	1.10Å
C5A	H13	sing	1.09Å	1.10Å
O3	H14	sing	0.97Å	0.95Å
OP1	H15	sing	0.97Å	0.95Å
OP3	H16	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C6	N1	C2	119.5°	122.1°
N1	C6	C5	123.1°	121.1°
N1	C6	H1	118.4°	119.5°
N1	C2	C2A	118.6°	119.6°
N1	C2	C3	121.1°	120.8°
C2A	C2	C3	120.3°	119.6°
C2	C2A	H8	109.5°	109.5°
C2	C2A	H9	109.4°	109.5°
C2	C2A	H10	109.4°	109.5°
C6	C5	C5A	120.0°	120.5°
C6	C5	C4	118.5°	119.0°
C5	C6	H1	118.4°	119.5°
C2	C3	C4	120.1°	118.9°
C2	C3	O3	116.3°	120.5°
C5A	C5	C4	121.5°	120.5°
C5	C5A	OP4	113.0°	109.5°
C5	C5A	H12	108.6°	109.5°
C5	C5A	H13	108.6°	109.5°
C5	C4	C3	117.7°	118.1°
C5	C4	C4A	122.1°	120.9°
C4	C3	O3	123.6°	120.6°
C3	C4	C4A	120.2°	121.0°
C3	O3	H14	109.5°	114.0°
C5A	OP4	P	115.7°	123.0°
OP4	C5A	H12	108.6°	109.5°
OP4	C5A	H13	108.6°	109.4°
OP4	P	OP2	104.0°	109.5°
OP4	P	OP1	106.7°	109.4°
OP4	P	OP3	106.4°	109.5°
C4	C4A	N7	120.7°	120.0°
C4	C4A	H11	119.7°	120.0°
OP2	P	OP1	113.4°	109.5°
OP2	P	OP3	114.8°	109.5°
OP1	P	OP3	110.8°	109.5°
P	OP1	H15	109.5°	114.0°
P	OP3	H16	109.5°	114.0°
C4A	N7	C8	119.0°	120.0°
N7	C4A	H11	119.6°	120.0°
N7	C8	C9	112.2°	109.5°
N7	C8	H2	108.8°	109.5°
N7	C8	H3	108.8°	109.5°
C13	N14	C9	117.9°	121.7°
N14	C13	C12	123.3°	120.8°
N14	C13	H5	118.3°	119.6°
N14	C9	C8	116.5°	119.6°
N14	C9	C10	122.0°	120.8°
C8	C9	C10	121.5°	119.6°
C9	C8	H2	108.8°	109.5°
C9	C8	H3	108.8°	109.5°
C13	C12	C11	118.3°	119.2°
C12	C13	H5	118.3°	119.6°
C13	C12	H7	120.9°	120.4°
C9	C10	C11	119.1°	119.2°
C9	C10	H4	120.4°	120.4°
C12	C11	C10	119.4°	118.4°
C12	C11	H6	120.3°	120.8°
C11	C12	H7	120.8°	120.4°
C11	C10	H4	120.5°	120.4°
C10	C11	H6	120.3°	120.8°
H2	C8	H3	109.4°	109.4°
H8	C2A	H9	109.5°	109.5°
H8	C2A	H10	109.5°	109.5°
H9	C2A	H10	109.5°	109.4°
H12	C5A	H13	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C6	N1	C2	C2A	179.8°	180.0°
N1	C6	C5	H1	180.0°	179.9°
C6	N1	C2	C3	0.2°	0.0°
N1	C6	C5	C5A	177.9°	179.9°
N1	C6	C5	C4	1.9°	0.1°
N1	C2	C2A	C3	180.0°	179.9°
C2	N1	C6	C5	1.0°	0.0°
N1	C2	C3	C4	0.3°	0.0°
N1	C2	C3	O3	179.9°	179.9°
C2	N1	C6	H1	179.0°	179.9°
N1	C2	C2A	H8	0.0°	89.9°
N1	C2	C2A	H9	120.0°	150.0°
N1	C2	C2A	H10	120.0°	30.1°
C2A	C2	C3	C4	179.6°	179.9°
C2A	C2	C3	O3	0.1°	0.0°
C2	C2A	H8	H9	120.0°	120.0°
C2	C2A	H8	H10	120.0°	120.0°
C2	C2A	H9	H10	120.0°	120.0°
C6	C5	C5A	C4	175.9°	180.0°
C6	C5	C4	C3	1.7°	0.1°
C6	C5	C5A	OP4	108.0°	0.0°
C6	C5	C4	C4A	178.3°	180.0°
C6	C5	C5A	H12	12.5°	120.0°
C6	C5	C5A	H13	131.5°	120.0°
C2	C3	C4	C5	0.6°	0.0°
C2	C3	C4	O3	179.8°	179.9°
C2	C3	C4	C4A	179.3°	180.0°
C3	C2	C2A	H8	180.0°	90.0°
C3	C2	C2A	H9	60.0°	30.1°
C3	C2	C2A	H10	60.0°	150.0°
C2	C3	O3	H14	180.0°	90.0°
C5A	C5	C4	C3	177.6°	179.9°
C5	C5A	OP4	H12	120.5°	120.0°
C5	C5A	OP4	H13	120.5°	120.0°
C5	C5A	OP4	P	152.2°	180.0°
C5A	C5	C4	C4A	2.3°	0.0°
C5A	C5	C6	H1	2.1°	0.0°
C5	C5A	H12	H13	118.4°	120.0°
C5	C4	C3	C4A	179.9°	180.0°
C5	C4	C3	O3	179.2°	180.0°
C4	C5	C5A	OP4	76.1°	180.0°
C5	C4	C4A	N7	171.7°	180.0°
C4	C5	C6	H1	178.1°	180.0°
C5	C4	C4A	H11	8.3°	0.0°
C4	C5	C5A	H12	163.3°	60.0°
C4	C5	C5A	H13	44.4°	60.0°
C3	C4	C4A	N7	8.2°	0.0°
C3	C4	C4A	H11	171.8°	179.9°
C4	C3	O3	H14	0.3°	89.9°
O3	C3	C4	C4A	0.9°	0.1°
C5A	OP4	P	OP2	169.9°	55.0°
C5A	OP4	P	OP1	49.7°	65.0°
C5A	OP4	P	OP3	68.6°	175.0°
OP4	C5A	H12	H13	118.4°	120.0°
OP4	P	OP2	OP1	115.5°	120.0°
OP4	P	OP2	OP3	115.8°	120.0°
OP4	P	OP1	OP3	115.4°	120.0°
P	OP4	C5A	H12	87.2°	60.0°
P	OP4	C5A	H13	31.7°	60.0°
OP4	P	OP1	H15	113.9°	60.0°
OP4	P	OP3	H16	114.4°	180.0°
C4	C4A	N7	H11	180.0°	180.0°
C4	C4A	N7	C8	179.1°	180.0°
OP2	P	OP1	OP3	130.7°	120.0°
OP2	P	OP1	H15	0.0°	180.0°
OP2	P	OP3	H16	0.0°	60.0°
OP1	P	OP3	H16	130.0°	60.0°
OP3	P	OP1	H15	130.7°	60.0°
C4A	N7	C8	C9	179.5°	115.0°
C4A	N7	C8	H2	59.1°	5.0°
C4A	N7	C8	H3	60.1°	125.0°
N7	C8	C9	N14	26.2°	85.0°
N7	C8	C9	H2	120.4°	120.0°
N7	C8	C9	H3	120.4°	120.0°
N7	C8	C9	C10	152.1°	95.0°
N7	C8	H2	H3	118.8°	120.0°
C8	N7	C4A	H11	0.8°	0.0°
C13	N14	C9	C8	179.9°	179.5°
N14	C13	C12	H5	180.0°	179.6°
C13	N14	C9	C10	1.6°	0.4°
N14	C13	C12	C11	0.5°	0.5°
N14	C13	C12	H7	179.5°	179.5°
N14	C9	C8	C10	178.3°	180.0°
C9	N14	C13	C12	0.8°	0.7°
N14	C9	C10	C11	1.0°	0.1°
N14	C9	C8	H2	94.2°	35.0°
N14	C9	C8	H3	146.6°	155.0°
N14	C9	C10	H4	178.9°	179.7°
C9	N14	C13	H5	179.1°	179.7°
C8	C9	C10	C11	179.2°	179.9°
C9	C8	H2	H3	118.8°	120.0°
C8	C9	C10	H4	0.7°	0.3°
C13	C12	C11	H7	180.0°	180.0°
C13	C12	C11	C10	1.1°	0.1°
C13	C12	C11	H6	178.9°	180.0°
C9	C10	C11	C12	0.4°	0.3°
C9	C10	C11	H4	180.0°	179.6°
C10	C9	C8	H2	87.5°	145.0°
C10	C9	C8	H3	31.6°	25.0°
C9	C10	C11	H6	179.6°	179.8°
C12	C11	C10	H6	180.0°	179.9°
C12	C11	C10	H4	179.6°	180.0°
C11	C12	C13	H5	179.5°	180.0°
C10	C11	C12	H7	178.9°	180.0°
H4	C10	C11	H6	0.4°	0.1°
H5	C13	C12	H7	0.5°	0.1°
H6	C11	C12	H7	1.1°	0.1°
H8	C2A	H9	H10	120.0°	120.0°

Release date:	2025-07-23
Definition date:	2024-11-08
Last modified:	2025-07-18
Release status:	REL
Processing site:	RCSB
Derived from:	9E97