A1BOG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C	sing	1.35Å	1.32Å
O	C	doub	1.21Å	1.23Å
C	C1	sing	1.51Å	1.52Å
C1	C2	sing	1.53Å	1.54Å
C2	C3	sing	1.53Å	1.53Å
C3	C4	sing	1.53Å	1.52Å
C4	N1	sing	1.47Å	1.47Å
N1	C5	sing	1.35Å	1.35Å
O1	C5	doub	1.21Å	1.22Å
C5	C6	sing	1.51Å	1.52Å
C6	C7	sing	1.51Å	1.51Å
C7	C8	doub	1.39Å	1.39Å	Aromatic
C8	C9	sing	1.38Å	1.38Å	Aromatic
C9	N2	doub	1.32Å	1.34Å	Aromatic
N2	C10	sing	1.32Å	1.34Å	Aromatic
C10	C11	doub	1.38Å	1.38Å	Aromatic
C7	C11	sing	1.39Å	1.39Å	Aromatic
C11	CL	sing	1.74Å	1.73Å
C12	N1	sing	1.47Å	1.47Å
C1	C12	sing	1.54Å	1.53Å
C4	H7	sing	1.09Å	1.10Å
C4	H8	sing	1.09Å	1.10Å
C6	H10	sing	1.09Å	1.10Å
C6	H9	sing	1.09Å	1.10Å
C8	H11	sing	1.08Å	1.08Å
C10	H13	sing	1.08Å	1.08Å
C9	H12	sing	1.08Å	1.08Å
C3	H6	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C2	H3	sing	1.09Å	1.10Å
C12	H15	sing	1.09Å	1.10Å
C12	H14	sing	1.09Å	1.10Å
C1	H	sing	1.09Å	1.10Å
N	H1	sing	0.97Å	1.00Å
N	H2	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N	C	O	122.7°	120.0°
N	C	C1	116.0°	120.0°
C	N	H1	120.0°	120.1°
C	N	H2	120.0°	120.0°
O	C	C1	121.3°	120.0°
C	C1	C2	111.4°	109.5°
C	C1	C12	112.1°	109.4°
C	C1	H	107.9°	109.6°
C1	C2	C3	112.5°	109.5°
C2	C1	C12	109.7°	109.2°
C1	C2	H4	108.7°	109.4°
C1	C2	H3	108.7°	109.4°
C2	C1	H	107.7°	109.5°
C2	C3	C4	111.0°	109.3°
C2	C3	H6	109.1°	109.4°
C2	C3	H5	109.1°	109.5°
C3	C2	H4	108.7°	109.5°
C3	C2	H3	108.7°	109.5°
C3	C4	N1	110.6°	108.8°
C3	C4	H7	109.2°	109.6°
C3	C4	H8	109.2°	109.7°
C4	C3	H6	109.1°	109.5°
C4	C3	H5	109.1°	109.5°
C4	N1	C5	125.1°	120.7°
C4	N1	C12	113.0°	118.7°
N1	C4	H7	109.2°	109.6°
N1	C4	H8	109.2°	109.6°
N1	C5	O1	122.1°	120.0°
N1	C5	C6	115.8°	120.0°
C5	N1	C12	121.9°	120.6°
O1	C5	C6	122.1°	120.0°
C5	C6	C7	114.1°	109.5°
C5	C6	H10	108.3°	109.5°
C5	C6	H9	108.3°	109.5°
C6	C7	C8	120.6°	120.8°
C6	C7	C11	122.6°	120.8°
C7	C6	H10	108.3°	109.4°
C7	C6	H9	108.3°	109.5°
C7	C8	C9	119.6°	119.2°
C8	C7	C11	116.5°	118.4°
C7	C8	H11	120.2°	120.4°
C8	C9	N2	123.8°	120.8°
C9	C8	H11	120.2°	120.4°
C8	C9	H12	118.1°	119.7°
C9	N2	C10	116.9°	121.7°
N2	C9	H12	118.1°	119.6°
N2	C10	C11	122.8°	120.8°
N2	C10	H13	118.6°	119.6°
C10	C11	C7	120.4°	119.1°
C10	C11	CL	119.5°	120.4°
C11	C10	H13	118.6°	119.6°
C7	C11	CL	120.1°	120.4°
N1	C12	C1	110.2°	108.5°
N1	C12	H15	109.3°	109.6°
N1	C12	H14	109.3°	109.6°
C1	C12	H15	109.3°	109.6°
C1	C12	H14	109.3°	109.8°
C12	C1	H	107.8°	109.7°
H7	C4	H8	109.5°	109.6°
H10	C6	H9	109.5°	109.5°
H6	C3	H5	109.5°	109.5°
H4	C2	H3	109.4°	109.5°
H15	C12	H14	109.5°	109.6°
H1	N	H2	120.0°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C	O	C1	179.8°	179.9°
N	C	C1	C2	117.9°	180.0°
N	C	C1	C12	118.7°	60.4°
N	C	C1	H	0.1°	59.9°
C	N	H1	H2	180.0°	179.9°
O	C	C1	C2	62.2°	0.0°
O	C	C1	C12	61.1°	119.7°
O	C	C1	H	179.7°	120.0°
O	C	N	H1	0.0°	180.0°
O	C	N	H2	180.0°	0.1°
C	C1	C2	C12	124.8°	119.8°
C	C1	C2	H	118.2°	120.1°
C	C1	C2	C3	176.9°	178.7°
C	C1	C12	N1	179.9°	174.7°
C	C1	C12	H	118.6°	120.2°
C	C1	C2	H4	62.7°	61.3°
C	C1	C2	H3	56.4°	58.7°
C	C1	C12	H15	59.8°	65.6°
C	C1	C12	H14	60.0°	54.9°
C1	C	N	H1	179.8°	0.1°
C1	C	N	H2	0.2°	180.0°
C1	C2	C3	H4	120.5°	119.9°
C1	C2	C3	H3	120.5°	120.0°
C1	C2	C3	C4	51.2°	61.4°
C2	C1	C12	N1	55.8°	54.9°
C2	C1	C12	H	117.0°	120.0°
C1	C2	C3	H6	69.1°	178.7°
C1	C2	C3	H5	171.4°	58.6°
C1	C2	H4	H3	118.6°	119.9°
C2	C1	C12	H15	175.9°	174.5°
C2	C1	C12	H14	64.4°	65.0°
C2	C3	C4	H6	120.3°	119.9°
C2	C3	C4	H5	120.2°	120.0°
C2	C3	C4	N1	53.1°	54.7°
C3	C2	C1	C12	52.1°	61.5°
C2	C3	C4	H7	173.3°	65.1°
C2	C3	C4	H8	67.1°	174.5°
C2	C3	H6	H5	119.3°	120.1°
C3	C2	H4	H3	118.6°	120.1°
C3	C2	C1	H	64.9°	58.6°
C3	C4	N1	H7	120.2°	119.8°
C3	C4	N1	H8	120.2°	119.9°
C3	C4	N1	C5	120.8°	126.4°
C3	C4	N1	C12	59.4°	53.9°
C3	C4	H7	H8	119.5°	120.4°
C4	C3	H6	H5	119.3°	120.1°
C4	C3	C2	H4	171.6°	58.6°
C4	C3	C2	H3	69.3°	178.6°
C4	N1	C5	C12	179.8°	179.7°
C4	N1	C5	O1	169.9°	180.0°
C4	N1	C5	C6	9.7°	0.0°
C4	N1	C12	C1	60.9°	54.0°
N1	C4	H7	H8	119.5°	120.3°
N1	C4	C3	H6	67.1°	174.6°
N1	C4	C3	H5	173.4°	65.3°
C4	N1	C12	H15	179.0°	173.6°
C4	N1	C12	H14	59.2°	66.0°
N1	C5	O1	C6	179.6°	180.0°
N1	C5	C6	C7	176.8°	180.0°
C5	N1	C12	C1	119.3°	126.3°
C5	N1	C4	H7	0.6°	113.8°
C5	N1	C4	H8	119.0°	6.5°
N1	C5	C6	H10	62.5°	60.1°
N1	C5	C6	H9	56.1°	60.0°
C5	N1	C12	H15	0.8°	6.7°
C5	N1	C12	H14	120.6°	113.7°
O1	C5	C6	C7	2.9°	0.0°
O1	C5	N1	C12	9.9°	0.3°
O1	C5	C6	H10	117.8°	120.0°
O1	C5	C6	H9	123.5°	120.0°
C5	C6	C7	H10	120.7°	120.0°
C5	C6	C7	H9	120.7°	120.0°
C5	C6	C7	C8	104.7°	100.0°
C5	C6	C7	C11	81.2°	80.3°
C6	C5	N1	C12	170.5°	179.7°
C5	C6	H10	H9	117.9°	120.1°
C6	C7	C8	C11	174.5°	179.8°
C6	C7	C8	C9	174.4°	180.0°
C6	C7	C11	C10	174.3°	180.0°
C6	C7	C11	CL	5.1°	0.0°
C7	C6	H10	H9	117.9°	120.0°
C6	C7	C8	H11	5.5°	0.0°
C7	C8	C9	H11	180.0°	180.0°
C7	C8	C9	N2	0.0°	0.0°
C8	C7	C11	C10	0.1°	0.2°
C8	C7	C11	CL	179.4°	179.7°
C8	C7	C6	H10	134.7°	20.0°
C8	C7	C6	H9	16.0°	140.0°
C7	C8	C9	H12	180.0°	180.0°
C8	C9	N2	H12	180.0°	179.9°
C8	C9	N2	C10	0.1°	0.2°
C9	C8	C7	C11	0.0°	0.3°
C9	N2	C10	C11	0.2°	0.3°
N2	C9	C8	H11	180.0°	180.0°
C9	N2	C10	H13	179.9°	179.8°
N2	C10	C11	H13	180.0°	179.9°
N2	C10	C11	C7	0.2°	0.1°
N2	C10	C11	CL	179.5°	180.0°
C10	N2	C9	H12	179.9°	179.7°
C10	C11	C7	CL	179.3°	179.9°
C11	C7	C6	H10	39.5°	159.7°
C11	C7	C6	H9	158.1°	39.7°
C11	C7	C8	H11	180.0°	179.8°
C7	C11	C10	H13	179.9°	180.0°
CL	C11	C10	H13	0.5°	0.1°
N1	C12	C1	H15	120.1°	119.7°
N1	C12	C1	H14	120.1°	119.8°
C12	N1	C4	H7	179.6°	65.9°
C12	N1	C4	H8	60.8°	173.8°
N1	C12	H15	H14	119.7°	120.4°
N1	C12	C1	H	61.3°	65.1°
C12	C1	C2	H4	172.6°	58.5°
C12	C1	C2	H3	68.4°	178.5°
C1	C12	H15	H14	119.7°	120.6°
H7	C4	C3	H6	53.1°	54.8°
H7	C4	C3	H5	66.4°	174.9°
H8	C4	C3	H6	172.7°	65.6°
H8	C4	C3	H5	53.2°	54.5°
H11	C8	C9	H12	0.0°	0.1°
H6	C3	C2	H4	51.4°	61.4°
H6	C3	C2	H3	170.5°	58.7°
H5	C3	C2	H4	68.1°	178.6°
H5	C3	C2	H3	51.0°	61.4°
H4	C2	C1	H	55.5°	178.6°
H3	C2	C1	H	174.6°	61.5°
H15	C12	C1	H	58.8°	54.6°
H14	C12	C1	H	178.6°	175.1°

Release date:	2025-02-26
Definition date:	2025-01-10
Last modified:	2025-02-21
Release status:	REL
Processing site:	RCSB
Derived from:	7HZ3