A1BP7

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	1.53Å
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	1.53Å
C6	C7	sing	1.53Å	1.55Å
C7	C8	sing	1.53Å	1.51Å
C8	O2	sing	1.43Å	1.45Å
O2	C9	sing	1.36Å	1.37Å
C9	C10	doub	1.39Å	1.39Å	Aromatic
C10	C11	sing	1.38Å	1.38Å	Aromatic
C11	C12	doub	1.38Å	1.38Å	Aromatic
C12	CL	sing	1.74Å	1.74Å
C13	C12	sing	1.38Å	1.38Å	Aromatic
C14	C13	doub	1.39Å	1.40Å	Aromatic
C9	C14	sing	1.38Å	1.40Å	Aromatic
C6	C14	sing	1.51Å	1.52Å
C15	N1	sing	1.47Å	1.47Å
C1	C15	sing	1.53Å	1.53Å
C4	H8	sing	1.09Å	1.10Å
C4	H9	sing	1.09Å	1.10Å
C6	H1	sing	1.09Å	1.10Å
C7	H10	sing	1.09Å	1.10Å
C7	H11	sing	1.09Å	1.10Å
C8	H12	sing	1.09Å	1.10Å
C8	H13	sing	1.09Å	1.10Å
C10	H14	sing	1.08Å	1.08Å
C13	H16	sing	1.08Å	1.08Å
C15	H18	sing	1.09Å	1.10Å
C15	H17	sing	1.09Å	1.10Å
C11	H15	sing	1.08Å	1.08Å
C3	H7	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C1	H	sing	1.09Å	1.10Å
N	H2	sing	0.97Å	1.00Å
N	H3	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N	C	O	122.9°	119.9°
N	C	C1	116.2°	120.0°
C	N	H2	120.0°	120.0°
C	N	H3	120.0°	120.0°
O	C	C1	120.9°	120.1°
C	C1	C2	111.4°	109.5°
C	C1	C15	114.0°	109.7°
C	C1	H	107.4°	109.5°
C1	C2	C3	111.3°	109.7°
C2	C1	C15	109.4°	109.3°
C1	C2	H5	109.0°	109.2°
C1	C2	H4	109.0°	109.6°
C2	C1	H	107.2°	109.5°
C2	C3	C4	111.0°	109.3°
C2	C3	H7	109.1°	109.5°
C2	C3	H6	109.1°	109.5°
C3	C2	H5	109.0°	109.4°
C3	C2	H4	109.0°	109.5°
C3	C4	N1	111.4°	108.8°
C3	C4	H8	109.0°	109.6°
C3	C4	H9	109.0°	109.7°
C4	C3	H7	109.1°	109.5°
C4	C3	H6	109.1°	109.5°
C4	N1	C5	126.4°	120.7°
C4	N1	C15	112.8°	118.7°
N1	C4	H8	109.0°	109.6°
N1	C4	H9	109.0°	109.6°
N1	C5	O1	121.5°	120.0°
N1	C5	C6	118.3°	120.0°
C5	N1	C15	120.8°	120.6°
O1	C5	C6	120.1°	120.0°
C5	C6	C7	110.3°	109.4°
C5	C6	C14	107.6°	109.4°
C5	C6	H1	108.1°	109.4°
C6	C7	C8	111.3°	108.3°
C7	C6	C14	114.8°	109.7°
C7	C6	H1	107.7°	109.4°
C6	C7	H10	109.0°	109.7°
C6	C7	H11	109.0°	109.7°
C7	C8	O2	113.5°	108.4°
C8	C7	H10	109.0°	109.7°
C8	C7	H11	109.0°	109.7°
C7	C8	H12	108.4°	109.7°
C7	C8	H13	108.5°	109.7°
C8	O2	C9	114.7°	117.9°
O2	C8	H12	108.4°	109.7°
O2	C8	H13	108.4°	109.7°
O2	C9	C10	115.9°	118.5°
O2	C9	C14	122.6°	121.8°
C9	C10	C11	119.6°	120.2°
C10	C9	C14	121.2°	119.7°
C9	C10	H14	120.2°	119.9°
C10	C11	C12	119.3°	119.9°
C11	C10	H14	120.2°	119.9°
C10	C11	H15	120.3°	120.0°
C11	C12	CL	119.5°	120.0°
C11	C12	C13	121.6°	119.9°
C12	C11	H15	120.3°	120.0°
CL	C12	C13	118.9°	120.1°
C12	C13	C14	120.0°	120.3°
C12	C13	H16	120.0°	119.9°
C13	C14	C9	118.2°	119.8°
C13	C14	C6	121.5°	118.7°
C14	C13	H16	120.0°	119.8°
C9	C14	C6	120.3°	121.4°
C14	C6	H1	108.2°	109.4°
N1	C15	C1	108.7°	108.8°
N1	C15	H18	109.7°	109.6°
N1	C15	H17	109.6°	109.6°
C1	C15	H18	109.6°	109.6°
C1	C15	H17	109.7°	109.7°
C15	C1	H	107.2°	109.3°
H8	C4	H9	109.4°	109.6°
H10	C7	H11	109.5°	109.8°
H12	C8	H13	109.5°	109.6°
H18	C15	H17	109.5°	109.6°
H7	C3	H6	109.5°	109.5°
H5	C2	H4	109.5°	109.4°
H2	N	H3	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C	O	C1	179.8°	180.0°
N	C	C1	C2	61.8°	60.0°
N	C	C1	C15	62.5°	180.0°
N	C	C1	H	178.9°	60.1°
C	N	H2	H3	180.0°	179.9°
O	C	C1	C2	118.0°	120.0°
O	C	C1	C15	117.7°	0.1°
O	C	C1	H	0.9°	119.9°
O	C	N	H2	0.0°	179.9°
O	C	N	H3	180.0°	0.0°
C	C1	C2	C15	126.9°	120.2°
C	C1	C2	H	117.2°	120.0°
C	C1	C2	C3	177.2°	178.7°
C	C1	C15	N1	174.8°	174.6°
C	C1	C15	H	118.7°	120.1°
C	C1	C15	H18	54.9°	65.6°
C	C1	C15	H17	65.3°	54.8°
C	C1	C2	H5	56.9°	61.4°
C	C1	C2	H4	62.5°	58.5°
C1	C	N	H2	179.8°	0.0°
C1	C	N	H3	0.2°	180.0°
C1	C2	C3	H5	120.3°	119.8°
C1	C2	C3	H4	120.3°	120.3°
C1	C2	C3	C4	51.6°	61.1°
C2	C1	C15	N1	59.7°	54.5°
C2	C1	C15	H	115.9°	119.8°
C2	C1	C15	H18	179.6°	174.3°
C2	C1	C15	H17	60.1°	65.3°
C1	C2	C3	H7	68.6°	178.9°
C1	C2	C3	H6	171.9°	58.8°
C1	C2	H5	H4	119.2°	119.9°
C2	C3	C4	H7	120.2°	120.0°
C2	C3	C4	H6	120.2°	119.9°
C2	C3	C4	N1	51.6°	54.6°
C3	C2	C1	C15	55.9°	61.1°
C2	C3	C4	H8	171.9°	65.2°
C2	C3	C4	H9	68.7°	174.5°
C2	C3	H7	H6	119.3°	120.1°
C3	C2	H5	H4	119.1°	120.0°
C3	C2	C1	H	60.1°	58.6°
C3	C4	N1	H8	120.3°	119.8°
C3	C4	N1	H9	120.3°	119.9°
C3	C4	N1	C5	122.5°	126.4°
C3	C4	N1	C15	58.1°	53.9°
C3	C4	H8	H9	119.1°	120.4°
C4	C3	H7	H6	119.3°	120.0°
C4	C3	C2	H5	171.9°	58.7°
C4	C3	C2	H4	68.6°	178.7°
C4	N1	C5	C15	179.4°	179.8°
C4	N1	C5	O1	174.4°	174.4°
C4	N1	C5	C6	8.6°	5.5°
C4	N1	C15	C1	61.9°	53.9°
N1	C4	H8	H9	119.1°	120.3°
C4	N1	C15	H18	178.3°	173.7°
C4	N1	C15	H17	58.0°	66.0°
N1	C4	C3	H7	68.6°	174.6°
N1	C4	C3	H6	171.8°	65.3°
N1	C5	O1	C6	177.0°	179.9°
N1	C5	C6	C7	86.7°	94.5°
N1	C5	C6	C14	147.5°	145.2°
C5	N1	C15	C1	118.7°	126.4°
C5	N1	C4	H8	2.2°	113.9°
C5	N1	C4	H9	117.2°	6.4°
N1	C5	C6	H1	30.9°	25.3°
C5	N1	C15	H18	1.2°	6.5°
C5	N1	C15	H17	121.5°	113.7°
O1	C5	C6	C7	90.4°	85.4°
O1	C5	C6	C14	35.5°	34.8°
O1	C5	N1	C15	6.2°	5.3°
O1	C5	C6	H1	152.1°	154.7°
C5	C6	C7	C14	121.7°	120.1°
C5	C6	C7	H1	117.7°	119.9°
C5	C6	C7	C8	149.2°	168.3°
C5	C6	C14	C13	51.3°	42.0°
C5	C6	C14	C9	129.6°	138.0°
C5	C6	C14	H1	116.5°	119.9°
C6	C5	N1	C15	170.8°	174.8°
C5	C6	C7	H10	90.5°	72.0°
C5	C6	C7	H11	28.9°	48.7°
C6	C7	C8	H10	120.3°	119.7°
C6	C7	C8	H11	120.3°	119.6°
C6	C7	C8	O2	50.9°	64.7°
C7	C6	C14	C13	174.4°	162.1°
C7	C6	C14	C9	6.4°	18.0°
C7	C6	C14	H1	120.3°	120.0°
C6	C7	H10	H11	119.1°	120.6°
C6	C7	C8	H12	69.7°	55.1°
C6	C7	C8	H13	171.5°	175.5°
C7	C8	O2	H12	120.6°	119.8°
C7	C8	O2	H13	120.6°	119.7°
C7	C8	O2	C9	53.3°	49.2°
C8	C7	C6	C14	27.5°	48.3°
C8	C7	C6	H1	93.1°	71.8°
C8	C7	H10	H11	119.2°	120.6°
C7	C8	H12	H13	118.2°	120.5°
C8	O2	C9	C10	154.2°	163.0°
C8	O2	C9	C14	30.9°	17.3°
O2	C8	C7	H10	171.2°	175.6°
O2	C8	C7	H11	69.4°	55.0°
O2	C8	H12	H13	118.2°	120.5°
O2	C9	C10	C14	174.9°	179.7°
O2	C9	C10	C11	172.7°	179.5°
O2	C9	C14	C13	173.2°	179.4°
O2	C9	C14	C6	7.6°	0.6°
C9	O2	C8	H12	67.2°	70.6°
C9	O2	C8	H13	173.9°	168.9°
O2	C9	C10	H14	7.3°	0.4°
C9	C10	C11	H14	180.0°	179.9°
C9	C10	C11	C12	1.6°	0.1°
C10	C9	C14	C13	1.4°	0.2°
C10	C9	C14	C6	177.8°	179.7°
C9	C10	C11	H15	178.4°	180.0°
C10	C11	C12	H15	180.0°	179.9°
C10	C11	C12	CL	179.0°	179.9°
C10	C11	C12	C13	0.2°	0.0°
C11	C10	C9	C14	2.2°	0.2°
C11	C12	CL	C13	178.8°	180.0°
C11	C12	C13	C14	0.6°	0.0°
C12	C11	C10	H14	178.4°	180.0°
C11	C12	C13	H16	179.4°	180.0°
CL	C12	C13	C14	178.2°	179.9°
CL	C12	C13	H16	1.8°	0.0°
CL	C12	C11	H15	1.0°	0.1°
C12	C13	C14	H16	180.0°	180.0°
C12	C13	C14	C9	0.0°	0.1°
C12	C13	C14	C6	179.2°	179.8°
C13	C12	C11	H15	179.7°	179.9°
C13	C14	C9	C6	179.2°	179.9°
C13	C14	C6	H1	65.2°	77.8°
C9	C14	C6	H1	113.9°	102.1°
C14	C9	C10	H14	177.8°	179.9°
C9	C14	C13	H16	180.0°	179.9°
C14	C6	C7	H10	147.8°	167.9°
C14	C6	C7	H11	92.8°	71.4°
C6	C14	C13	H16	0.8°	0.2°
N1	C15	C1	H18	119.9°	119.8°
N1	C15	C1	H17	119.9°	119.8°
C15	N1	C4	H8	178.4°	65.9°
C15	N1	C4	H9	62.2°	173.8°
N1	C15	H18	H17	120.4°	120.3°
N1	C15	C1	H	56.2°	65.3°
C1	C15	H18	H17	120.3°	120.4°
C15	C1	C2	H5	176.2°	58.8°
C15	C1	C2	H4	64.4°	178.7°
H8	C4	C3	H7	51.7°	54.8°
H8	C4	C3	H6	67.9°	174.9°
H9	C4	C3	H7	171.1°	65.5°
H9	C4	C3	H6	51.5°	54.5°
H1	C6	C7	H10	27.2°	47.9°
H1	C6	C7	H11	146.6°	168.6°
H10	C7	C8	H12	50.6°	64.6°
H10	C7	C8	H13	68.2°	55.9°
H11	C7	C8	H12	170.1°	174.7°
H11	C7	C8	H13	51.2°	64.8°
H14	C10	C11	H15	1.6°	0.1°
H18	C15	C1	H	63.7°	54.5°
H17	C15	C1	H	176.0°	174.9°
H7	C3	C2	H5	51.7°	61.3°
H7	C3	C2	H4	171.1°	58.6°
H6	C3	C2	H5	67.8°	178.6°
H6	C3	C2	H4	51.6°	61.4°
H5	C2	C1	H	60.2°	178.6°
H4	C2	C1	H	179.7°	61.6°

Release date:	2025-02-26
Definition date:	2025-01-13
Last modified:	2025-02-21
Release status:	REL
Processing site:	RCSB
Derived from:	7HXE