A1ACC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C	trip	1.14Å	1.14Å
C	C1	sing	1.43Å	1.39Å
CL	C14	sing	1.74Å	1.69Å
N5	C2	sing	1.33Å	1.37Å	Aromatic
N5	C14	doub	1.32Å	1.32Å	Aromatic
C1	C2	doub	1.41Å	1.37Å	Aromatic
C1	C3	sing	1.41Å	1.44Å	Aromatic
C2	N1	sing	1.37Å	1.43Å	Aromatic
C14	C13	sing	1.39Å	1.41Å	Aromatic
C3	N2	doub	1.31Å	1.36Å	Aromatic
N1	N2	sing	1.40Å	1.37Å	Aromatic
N1	C4	sing	1.37Å	1.40Å	Aromatic
C13	C4	doub	1.38Å	1.42Å	Aromatic
C4	N3	sing	1.38Å	1.37Å
N3	C5	sing	1.40Å	1.42Å
C5	C12	doub	1.39Å	1.43Å	Aromatic
C5	C6	sing	1.39Å	1.42Å	Aromatic
C12	C11	sing	1.38Å	1.40Å	Aromatic
C6	C7	doub	1.38Å	1.39Å	Aromatic
C11	C10	doub	1.39Å	1.40Å	Aromatic
C7	C10	sing	1.39Å	1.44Å	Aromatic
C7	C8	sing	1.51Å	1.49Å
C10	N4	sing	1.40Å	1.40Å
C8	C9	sing	1.51Å	1.54Å
N4	C9	sing	1.34Å	1.41Å
C9	O	doub	1.21Å	1.20Å
N3	H1	sing	0.97Å	1.00Å
N4	H2	sing	0.97Å	1.00Å
C13	H3	sing	1.08Å	1.08Å
C12	H4	sing	1.08Å	1.08Å
C11	H5	sing	1.08Å	1.08Å
C8	H6	sing	1.09Å	1.10Å
C8	H7	sing	1.09Å	1.10Å
C6	H8	sing	1.08Å	1.08Å
C3	H9	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N	C	C1	178.8°	180.0°
C	C1	C2	124.3°	126.6°
C	C1	C3	128.6°	126.5°
CL	C14	N5	114.2°	119.9°
CL	C14	C13	117.8°	119.9°
C2	N5	C14	114.6°	121.2°
N5	C2	C1	131.8°	132.4°
N5	C2	N1	123.1°	121.0°
N5	C14	C13	128.0°	120.2°
C2	C1	C3	106.8°	106.9°
C1	C2	N1	105.0°	106.7°
C1	C3	N2	111.2°	108.7°
C1	C3	H9	124.4°	125.7°
C2	N1	N2	112.7°	108.1°
C2	N1	C4	120.4°	119.6°
C14	C13	C4	117.2°	119.1°
C14	C13	H3	121.4°	120.4°
C3	N2	N1	104.3°	109.6°
N2	C3	H9	124.4°	125.6°
N2	N1	C4	126.8°	132.2°
N1	C4	C13	116.6°	118.8°
N1	C4	N3	114.8°	120.6°
C13	C4	N3	128.2°	120.6°
C4	C13	H3	121.4°	120.4°
C4	N3	C5	123.3°	120.0°
C4	N3	H1	118.4°	120.0°
N3	C5	C12	118.3°	120.1°
N3	C5	C6	118.3°	120.2°
C5	N3	H1	118.3°	120.0°
C12	C5	C6	123.4°	119.7°
C5	C12	C11	119.6°	120.3°
C5	C12	H4	120.2°	119.9°
C5	C6	C7	116.2°	119.9°
C5	C6	H8	121.9°	120.1°
C12	C11	C10	117.2°	120.2°
C11	C12	H4	120.2°	119.8°
C12	C11	H5	121.4°	119.9°
C6	C7	C10	121.0°	120.9°
C6	C7	C8	129.6°	132.8°
C7	C6	H8	121.9°	120.1°
C11	C10	C7	122.6°	119.1°
C11	C10	N4	127.7°	130.7°
C10	C11	H5	121.4°	119.9°
C10	C7	C8	109.3°	106.3°
C7	C10	N4	109.8°	110.2°
C7	C8	C9	102.1°	104.1°
C7	C8	H6	111.3°	110.2°
C7	C8	H7	111.3°	110.9°
C10	N4	C9	109.8°	112.2°
C10	N4	H2	125.1°	123.9°
C8	C9	N4	109.0°	107.1°
C8	C9	O	129.6°	126.4°
C9	C8	H6	111.3°	110.5°
C9	C8	H7	111.3°	110.5°
N4	C9	O	121.4°	126.4°
C9	N4	H2	125.1°	123.9°
H6	C8	H7	109.5°	110.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C	C1	C2	48.5°	50.8°
N	C	C1	C3	123.9°	129.2°
C	C1	C2	N5	3.8°	0.5°
C	C1	C2	C3	173.8°	180.0°
C	C1	C2	N1	172.3°	180.0°
C	C1	C3	N2	172.4°	180.0°
C	C1	C3	H9	7.6°	0.0°
CL	C14	N5	C2	178.3°	179.7°
CL	C14	N5	C13	179.4°	179.7°
CL	C14	C13	C4	179.1°	180.0°
CL	C14	C13	H3	0.9°	0.1°
N5	C2	C1	N1	176.1°	179.4°
N5	C2	C1	C3	177.6°	179.5°
C2	N5	C14	C13	1.2°	0.0°
N5	C2	N1	N2	178.2°	179.5°
N5	C2	N1	C4	2.8°	0.9°
C14	N5	C2	C1	175.1°	180.0°
C14	N5	C2	N1	0.4°	0.6°
N5	C14	C13	C4	0.3°	0.3°
N5	C14	C13	H3	179.7°	179.7°
C2	C1	C3	N2	1.0°	0.0°
C1	C2	N1	N2	1.7°	0.0°
C1	C2	N1	C4	173.8°	179.6°
C2	C1	C3	H9	179.0°	180.0°
C3	C1	C2	N1	1.5°	0.0°
C1	C3	N2	H9	180.0°	180.0°
C1	C3	N2	N1	0.1°	0.0°
C2	N1	N2	C3	1.1°	0.0°
C2	N1	N2	C4	175.1°	179.5°
C2	N1	C4	C13	3.4°	0.6°
C2	N1	C4	N3	170.3°	179.4°
C14	C13	C4	N1	2.0°	0.0°
C14	C13	C4	H3	180.0°	179.9°
C14	C13	C4	N3	170.7°	179.9°
C3	N2	N1	C4	174.0°	179.5°
N2	N1	C4	C13	178.2°	180.0°
N2	N1	C4	N3	4.5°	0.1°
N1	N2	C3	H9	179.9°	180.0°
N1	C4	C13	N3	172.7°	180.0°
N1	C4	N3	C5	178.7°	58.1°
N1	C4	N3	H1	1.3°	122.2°
N1	C4	C13	H3	178.0°	179.9°
C13	C4	N3	C5	5.9°	121.9°
C13	C4	N3	H1	174.1°	57.8°
C4	N3	C5	H1	180.0°	179.7°
C4	N3	C5	C12	55.3°	173.0°
C4	N3	C5	C6	123.1°	7.1°
N3	C4	C13	H3	9.3°	0.0°
N3	C5	C12	C6	178.4°	179.9°
N3	C5	C12	C11	177.6°	180.0°
N3	C5	C6	C7	178.6°	180.0°
N3	C5	C12	H4	2.4°	0.0°
N3	C5	C6	H8	1.5°	0.1°
C5	C12	C11	H4	180.0°	179.9°
C12	C5	C6	C7	0.2°	0.0°
C5	C12	C11	C10	1.2°	0.1°
C12	C5	N3	H1	124.7°	7.3°
C5	C12	C11	H5	178.8°	179.9°
C12	C5	C6	H8	179.8°	180.0°
C6	C5	C12	C11	0.8°	0.1°
C5	C6	C7	H8	180.0°	179.9°
C5	C6	C7	C10	0.6°	0.0°
C5	C6	C7	C8	179.8°	179.8°
C6	C5	N3	H1	56.9°	172.6°
C6	C5	C12	H4	179.3°	180.0°
C12	C11	C10	H5	180.0°	180.0°
C12	C11	C10	C7	0.8°	0.1°
C12	C11	C10	N4	178.7°	180.0°
C6	C7	C10	C11	0.2°	0.0°
C6	C7	C10	C8	179.7°	179.8°
C6	C7	C10	N4	178.1°	179.9°
C6	C7	C8	C9	177.2°	179.9°
C6	C7	C8	H6	58.4°	61.4°
C6	C7	C8	H7	64.0°	61.3°
C11	C10	C7	N4	178.3°	179.9°
C11	C10	C7	C8	179.9°	179.8°
C11	C10	N4	C9	178.0°	180.0°
C11	C10	N4	H2	1.9°	0.2°
C10	C11	C12	H4	178.8°	180.0°
C10	C7	C8	C9	2.4°	0.3°
C7	C10	N4	C9	0.1°	0.0°
C7	C10	N4	H2	179.9°	179.7°
C7	C10	C11	H5	179.3°	179.9°
C10	C7	C8	H6	121.2°	118.9°
C10	C7	C8	H7	116.4°	118.5°
C10	C7	C6	H8	179.4°	179.9°
C8	C7	C10	N4	1.6°	0.2°
C7	C8	C9	H6	118.8°	118.3°
C7	C8	C9	H7	118.8°	119.2°
C7	C8	C9	N4	2.5°	0.3°
C7	C8	C9	O	176.4°	179.6°
C7	C8	H6	H7	123.5°	122.9°
C8	C7	C6	H8	0.2°	0.3°
C10	N4	C9	C8	1.7°	0.2°
C10	N4	C9	H2	180.0°	179.8°
C10	N4	C9	O	177.3°	179.7°
N4	C10	C11	H5	1.3°	0.0°
C8	C9	N4	O	179.0°	179.9°
C8	C9	N4	H2	178.3°	180.0°
C9	C8	H6	H7	123.4°	122.5°
N4	C9	C8	H6	121.3°	118.6°
N4	C9	C8	H7	116.3°	118.9°
O	C9	N4	H2	2.7°	0.0°
O	C9	C8	H6	57.6°	61.3°
O	C9	C8	H7	64.8°	61.2°
H4	C12	C11	H5	1.1°	0.0°

Release date:	2024-12-11
Definition date:	2024-01-09
Last modified:	2024-12-06
Release status:	REL
Processing site:	RCSB
Derived from:	7GXP