A1B07

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	O	sing	1.43Å	1.43Å
O	C1	sing	1.43Å	1.41Å
C1	C2	sing	1.51Å	1.51Å
O1	C2	doub	1.21Å	1.22Å
C2	N	sing	1.35Å	1.34Å
N	C3	sing	1.40Å	1.43Å
C3	C4	doub	1.39Å	1.40Å	Aromatic
C4	CL	sing	1.74Å	1.75Å
C5	C4	sing	1.38Å	1.38Å	Aromatic
C6	C5	doub	1.38Å	1.39Å	Aromatic
C7	C6	sing	1.51Å	1.51Å
C8	C6	sing	1.38Å	1.38Å	Aromatic
C9	C8	doub	1.39Å	1.37Å	Aromatic
C3	C9	sing	1.39Å	1.41Å	Aromatic
O2	C9	sing	1.36Å	1.37Å
C10	O2	sing	1.43Å	1.44Å
C11	C10	sing	1.51Å	1.52Å
C11	N1	doub	1.32Å	1.36Å	Aromatic
N1	C12	sing	1.32Å	1.34Å	Aromatic
C12	C13	doub	1.39Å	1.37Å	Aromatic
C13	C14	sing	1.39Å	1.38Å	Aromatic
C14	N2	doub	1.32Å	1.34Å	Aromatic
N2	C11	sing	1.32Å	1.36Å	Aromatic
C5	H6	sing	1.08Å	1.08Å
C7	H8	sing	1.09Å	1.10Å
C7	H9	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
C8	H10	sing	1.08Å	1.08Å
C10	H11	sing	1.09Å	1.10Å
C10	H12	sing	1.09Å	1.10Å
C13	H14	sing	1.08Å	1.08Å
N	H5	sing	0.97Å	1.00Å
C1	H4	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C	H2	sing	1.09Å	1.10Å
C	H	sing	1.09Å	1.10Å
C	H1	sing	1.09Å	1.10Å
C14	H15	sing	1.08Å	1.08Å
C12	H13	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	O	C1	113.8°	114.0°
O	C	H2	109.5°	109.5°
O	C	H	109.4°	109.5°
O	C	H1	109.5°	109.4°
O	C1	C2	112.9°	109.5°
O	C1	H4	108.6°	109.5°
O	C1	H3	108.6°	109.5°
C1	C2	O1	121.1°	120.0°
C1	C2	N	114.4°	120.0°
C2	C1	H4	108.6°	109.5°
C2	C1	H3	108.6°	109.5°
O1	C2	N	124.5°	120.0°
C2	N	C3	124.7°	120.0°
C2	N	H5	117.7°	120.0°
N	C3	C4	122.1°	120.1°
N	C3	C9	121.1°	120.1°
C3	N	H5	117.6°	120.0°
C3	C4	CL	120.5°	120.0°
C3	C4	C5	121.2°	119.9°
C4	C3	C9	116.7°	119.8°
CL	C4	C5	118.3°	120.0°
C4	C5	C6	120.9°	120.2°
C4	C5	H6	119.5°	119.9°
C5	C6	C7	121.1°	119.9°
C5	C6	C8	118.4°	120.2°
C6	C5	H6	119.6°	119.9°
C7	C6	C8	120.0°	119.9°
C6	C7	H8	109.5°	109.5°
C6	C7	H9	109.5°	109.5°
C6	C7	H7	109.4°	109.4°
C6	C8	C9	120.9°	120.0°
C6	C8	H10	119.6°	120.0°
C8	C9	C3	121.7°	119.9°
C8	C9	O2	122.7°	120.0°
C9	C8	H10	119.6°	120.0°
C3	C9	O2	115.6°	120.1°
C9	O2	C10	117.3°	117.0°
O2	C10	C11	101.6°	109.5°
O2	C10	H11	111.4°	109.5°
O2	C10	H12	111.4°	109.5°
C10	C11	N1	117.5°	119.1°
C10	C11	N2	117.8°	119.1°
C11	C10	H11	111.4°	109.5°
C11	C10	H12	111.4°	109.5°
C11	N1	C12	116.0°	120.8°
N1	C11	N2	124.5°	121.7°
N1	C12	C13	123.7°	119.1°
N1	C12	H13	118.1°	120.4°
C12	C13	C14	116.2°	118.4°
C12	C13	H14	121.9°	120.8°
C13	C12	H13	118.2°	120.4°
C13	C14	N2	123.5°	119.1°
C14	C13	H14	121.9°	120.8°
C13	C14	H15	118.2°	120.5°
C14	N2	C11	116.0°	120.9°
N2	C14	H15	118.2°	120.5°
H8	C7	H9	109.4°	109.5°
H8	C7	H7	109.5°	109.5°
H9	C7	H7	109.5°	109.5°
H11	C10	H12	109.5°	109.5°
H4	C1	H3	109.5°	109.5°
H2	C	H	109.5°	109.5°
H2	C	H1	109.5°	109.4°
H	C	H1	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	O	C1	C2	94.3°	180.0°
C	O	C1	H4	26.2°	60.0°
C	O	C1	H3	145.2°	60.0°
O	C	H2	H	120.0°	120.1°
O	C	H2	H1	120.0°	120.0°
O	C	H	H1	120.0°	120.0°
O	C1	C2	H4	120.5°	120.0°
O	C1	C2	H3	120.5°	120.0°
O	C1	C2	O1	63.9°	0.0°
O	C1	C2	N	115.8°	180.0°
O	C1	H4	H3	118.4°	120.0°
C1	O	C	H2	180.0°	60.0°
C1	O	C	H	60.0°	60.0°
C1	O	C	H1	60.0°	180.0°
C1	C2	O1	N	179.7°	180.0°
C1	C2	N	C3	162.7°	175.1°
C1	C2	N	H5	17.2°	4.8°
C2	C1	H4	H3	118.4°	120.0°
O1	C2	N	C3	17.5°	4.9°
O1	C2	N	H5	162.5°	175.2°
O1	C2	C1	H4	175.5°	120.0°
O1	C2	C1	H3	56.6°	120.0°
C2	N	C3	H5	180.0°	179.9°
C2	N	C3	C4	122.6°	90.8°
C2	N	C3	C9	52.8°	89.5°
N	C2	C1	H4	4.7°	60.0°
N	C2	C1	H3	123.6°	60.0°
N	C3	C4	C9	175.5°	179.8°
N	C3	C4	CL	9.1°	0.0°
N	C3	C4	C5	172.1°	179.8°
N	C3	C9	C8	173.7°	179.7°
N	C3	C9	O2	3.8°	0.0°
C3	C4	CL	C5	178.9°	179.8°
C3	C4	C5	C6	0.6°	0.2°
C4	C3	C9	C8	1.9°	0.5°
C4	C3	C9	O2	179.4°	179.8°
C3	C4	C5	H6	179.4°	179.7°
C4	C3	N	H5	57.4°	89.2°
CL	C4	C5	C6	178.2°	180.0°
CL	C4	C3	C9	175.4°	179.8°
CL	C4	C5	H6	1.8°	0.1°
C4	C5	C6	H6	180.0°	179.9°
C4	C5	C6	C7	167.5°	180.0°
C4	C5	C6	C8	3.9°	0.0°
C5	C4	C3	C9	3.5°	0.4°
C5	C6	C7	C8	171.2°	180.0°
C5	C6	C8	C9	5.4°	0.0°
C5	C6	C7	H8	94.5°	90.0°
C5	C6	C7	H9	145.5°	150.0°
C5	C6	C7	H7	25.5°	30.0°
C5	C6	C8	H10	174.6°	180.0°
C7	C6	C8	C9	166.1°	180.0°
C7	C6	C5	H6	12.5°	0.1°
C6	C7	H8	H9	120.0°	120.0°
C6	C7	H8	H7	120.0°	120.0°
C6	C7	H9	H7	120.0°	120.0°
C7	C6	C8	H10	13.9°	0.0°
C6	C8	C9	H10	180.0°	180.0°
C6	C8	C9	C3	2.6°	0.3°
C6	C8	C9	O2	174.8°	180.0°
C8	C6	C5	H6	176.1°	179.9°
C8	C6	C7	H8	94.3°	90.0°
C8	C6	C7	H9	25.7°	30.0°
C8	C6	C7	H7	145.7°	150.0°
C8	C9	C3	O2	177.5°	179.7°
C8	C9	O2	C10	61.1°	0.0°
C3	C9	O2	C10	121.4°	179.7°
C3	C9	C8	H10	177.5°	179.7°
C9	C3	N	H5	127.2°	90.6°
C9	O2	C10	C11	86.2°	180.0°
O2	C9	C8	H10	5.2°	0.0°
C9	O2	C10	H11	155.1°	60.0°
C9	O2	C10	H12	32.6°	60.0°
O2	C10	C11	H11	118.7°	120.0°
O2	C10	C11	H12	118.7°	120.0°
O2	C10	C11	N1	68.0°	90.1°
O2	C10	C11	N2	106.3°	90.0°
O2	C10	H11	H12	123.7°	120.0°
C10	C11	N1	N2	173.9°	179.9°
C10	C11	N1	C12	170.6°	180.0°
C10	C11	N2	C14	171.9°	180.0°
C11	C10	H11	H12	123.7°	120.0°
C11	N1	C12	C13	2.4°	0.1°
N1	C11	N2	C14	2.0°	0.0°
N1	C11	C10	H11	50.7°	30.0°
N1	C11	C10	H12	173.3°	150.0°
C11	N1	C12	H13	177.6°	180.0°
N1	C12	C13	H13	180.0°	180.0°
N1	C12	C13	C14	0.2°	0.1°
C12	N1	C11	N2	3.4°	0.1°
N1	C12	C13	H14	179.8°	180.0°
C12	C13	C14	H14	180.0°	180.0°
C12	C13	C14	N2	1.3°	0.0°
C12	C13	C14	H15	178.6°	179.9°
C13	C14	N2	H15	180.0°	179.9°
C13	C14	N2	C11	0.5°	0.0°
C14	C13	C12	H13	179.8°	180.0°
N2	C14	C13	H14	178.7°	180.0°
N2	C11	C10	H11	135.0°	150.0°
N2	C11	C10	H12	12.4°	30.0°
C11	N2	C14	H15	179.5°	179.9°
H8	C7	H9	H7	120.0°	120.0°
H14	C13	C14	H15	1.4°	0.1°
H14	C13	C12	H13	0.2°	0.0°
H2	C	H	H1	120.0°	119.9°

Release date:	2025-04-02
Definition date:	2025-03-19
Last modified:	2025-03-28
Release status:	REL
Processing site:	RCSB
Derived from:	7I34