A1ACZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C9	sing	1.43Å	1.43Å
CL	C4	sing	1.74Å	1.71Å
C9	C8	sing	1.53Å	1.51Å
C4	N2	doub	1.30Å	1.30Å	Aromatic
C4	N3	sing	1.36Å	1.37Å	Aromatic
N2	C3	sing	1.36Å	1.39Å	Aromatic
C8	O	sing	1.44Å	1.45Å
C8	C7	sing	1.55Å	1.53Å
O	C5	sing	1.44Å	1.41Å
C7	C6	sing	1.55Å	1.53Å
C7	O2	sing	1.43Å	1.43Å
C6	C5	sing	1.54Å	1.53Å
C6	O3	sing	1.43Å	1.42Å
N3	C5	sing	1.47Å	1.45Å
N3	C2	sing	1.37Å	1.39Å	Aromatic
C3	C2	doub	1.41Å	1.38Å	Aromatic
C3	C	sing	1.41Å	1.41Å	Aromatic
N4	C	sing	1.38Å	1.34Å
C2	N1	sing	1.33Å	1.34Å	Aromatic
C	N	doub	1.33Å	1.35Å	Aromatic
N1	C1	doub	1.32Å	1.34Å	Aromatic
N	C1	sing	1.32Å	1.34Å	Aromatic
N4	H1	sing	0.97Å	1.00Å
N4	H2	sing	0.97Å	1.00Å
C1	H3	sing	1.08Å	1.08Å
C5	H4	sing	1.09Å	1.10Å
C8	H5	sing	1.09Å	1.10Å
C9	H6	sing	1.09Å	1.10Å
C9	H7	sing	1.09Å	1.10Å
O1	H8	sing	0.97Å	0.95Å
C7	H9	sing	1.09Å	1.10Å
O2	H10	sing	0.97Å	0.95Å
C6	H11	sing	1.09Å	1.10Å
O3	H12	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C9	C8	111.2°	109.4°
O1	C9	H6	109.0°	109.4°
O1	C9	H7	109.0°	109.5°
C9	O1	H8	109.5°	114.0°
CL	C4	N2	123.5°	125.0°
CL	C4	N3	121.2°	125.1°
C9	C8	O	109.5°	110.4°
C9	C8	C7	117.0°	110.4°
C9	C8	H5	107.8°	110.4°
C8	C9	H6	109.0°	109.5°
C8	C9	H7	109.0°	109.5°
N2	C4	N3	115.2°	109.9°
C4	N2	C3	103.4°	109.5°
C4	N3	C5	130.3°	126.3°
C4	N3	C2	104.8°	107.5°
N2	C3	C2	110.9°	107.1°
N2	C3	C	132.1°	134.7°
O	C8	C7	106.0°	104.8°
C8	O	C5	110.1°	105.2°
O	C8	H5	108.6°	110.4°
C8	C7	C6	102.9°	104.1°
C8	C7	O2	108.5°	110.5°
C7	C8	H5	107.6°	110.4°
C8	C7	H9	110.9°	110.5°
O	C5	C6	105.7°	104.9°
O	C5	N3	108.3°	110.3°
O	C5	H4	109.8°	110.4°
C6	C7	O2	110.5°	110.4°
C7	C6	C5	100.9°	104.0°
C7	C6	O3	113.9°	110.5°
C6	C7	H9	111.0°	110.6°
C7	C6	H11	110.0°	110.5°
O2	C7	H9	112.6°	110.5°
C7	O2	H10	109.5°	114.1°
C5	C6	O3	109.9°	110.6°
C6	C5	N3	115.4°	110.4°
C6	C5	H4	108.3°	110.4°
C5	C6	H11	110.0°	110.5°
O3	C6	H11	111.6°	110.6°
C6	O3	H12	109.5°	114.0°
C5	N3	C2	124.9°	126.2°
N3	C5	H4	109.2°	110.3°
N3	C2	C3	105.7°	106.0°
N3	C2	N1	127.7°	134.9°
C2	C3	C	116.9°	118.2°
C3	C2	N1	126.5°	119.1°
C3	C	N4	124.1°	120.7°
C3	C	N	117.7°	118.5°
N4	C	N	118.1°	120.8°
C	N4	H1	109.5°	120.0°
C	N4	H2	109.5°	120.0°
C2	N1	C1	111.3°	120.6°
C	N	C1	118.8°	121.2°
N1	C1	N	128.7°	122.5°
N1	C1	H3	115.7°	118.7°
N	C1	H3	115.7°	118.8°
H1	N4	H2	109.4°	120.0°
H6	C9	H7	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C9	C8	H6	120.3°	119.9°
O1	C9	C8	H7	120.3°	120.1°
O1	C9	C8	O	61.9°	66.5°
O1	C9	C8	C7	177.4°	178.1°
O1	C9	C8	H5	56.1°	55.8°
O1	C9	H6	H7	119.2°	120.0°
CL	C4	N2	N3	178.4°	179.7°
CL	C4	N2	C3	178.5°	180.0°
CL	C4	N3	C5	5.2°	0.0°
CL	C4	N3	C2	177.7°	179.9°
C9	C8	O	C7	127.1°	118.8°
C9	C8	O	H5	117.5°	122.3°
C9	C8	C7	H5	121.4°	122.3°
C9	C8	O	C5	127.9°	159.3°
C9	C8	C7	C6	100.2°	142.9°
C9	C8	C7	O2	142.7°	98.5°
C8	C9	H6	H7	119.2°	120.0°
C8	C9	O1	H8	180.0°	180.0°
C9	C8	C7	H9	18.6°	24.1°
N2	C4	N3	C5	176.3°	179.7°
N2	C4	N3	C2	0.8°	0.4°
C4	N2	C3	C2	1.0°	0.0°
C4	N2	C3	C	176.8°	180.0°
N3	C4	N2	C3	0.1°	0.3°
C4	N3	C5	O	61.6°	42.1°
C4	N3	C5	C6	56.6°	73.4°
C4	N3	C5	C2	176.6°	179.9°
C4	N3	C2	C3	1.3°	0.4°
C4	N3	C2	N1	179.5°	179.9°
C4	N3	C5	H4	178.9°	164.3°
N2	C3	C2	N3	1.5°	0.2°
N2	C3	C2	C	178.1°	179.9°
N2	C3	C	N4	4.4°	0.0°
N2	C3	C2	N1	179.7°	180.0°
N2	C3	C	N	179.8°	180.0°
O	C8	C7	H5	116.1°	118.8°
O	C8	C7	C6	22.3°	24.1°
O	C8	C7	O2	94.8°	142.6°
C8	O	C5	C6	23.9°	40.5°
C8	O	C5	N3	148.1°	159.3°
C8	O	C5	H4	92.7°	78.5°
O	C8	C9	H6	58.4°	173.6°
O	C8	C9	H7	177.8°	53.6°
O	C8	C7	H9	141.0°	94.7°
C7	C8	O	C5	0.7°	40.5°
C8	C7	C6	O2	115.7°	118.6°
C8	C7	C6	H9	118.7°	118.7°
C8	C7	O2	H9	123.2°	122.6°
C8	C7	C6	C5	35.0°	0.1°
C8	C7	C6	O3	152.7°	118.6°
C7	C8	C9	H6	62.3°	58.2°
C7	C8	C9	H7	57.2°	61.8°
C8	C7	O2	H10	180.0°	61.4°
C8	C7	C6	H11	81.2°	118.7°
O	C5	C6	C7	36.6°	23.9°
O	C5	C6	N3	119.7°	118.8°
O	C5	C6	H4	117.6°	118.9°
O	C5	C6	O3	157.2°	142.5°
O	C5	N3	H4	119.6°	122.2°
O	C5	N3	C2	121.8°	137.8°
C5	O	C8	H5	114.6°	78.3°
O	C5	C6	H11	79.5°	94.7°
C6	C7	O2	H9	124.7°	122.8°
C7	C6	C5	O3	120.6°	118.7°
C7	C6	C5	H11	116.1°	118.6°
C7	C6	O3	H11	125.2°	122.7°
C7	C6	C5	N3	156.3°	142.7°
C7	C6	C5	H4	81.0°	95.0°
C6	C7	C8	H5	138.4°	94.7°
C6	C7	O2	H10	67.9°	176.0°
C7	C6	O3	H12	180.0°	61.5°
O2	C7	C6	C5	80.7°	118.7°
O2	C7	C6	O3	37.0°	0.0°
O2	C7	C8	H5	21.3°	23.8°
O2	C7	C6	H11	163.1°	122.7°
C5	C6	O3	H11	122.4°	122.7°
C6	C5	N3	H4	122.3°	122.3°
C6	C5	N3	C2	120.0°	106.7°
C5	C6	C7	H9	153.7°	118.6°
C5	C6	O3	H12	67.6°	176.1°
O3	C6	C5	N3	83.1°	98.6°
O3	C6	C5	H4	39.6°	23.6°
O3	C6	C7	H9	88.6°	122.7°
C5	N3	C2	C3	176.0°	179.8°
C5	N3	C2	N1	2.2°	0.0°
N3	C5	C6	H11	40.2°	24.1°
N3	C2	C3	N1	178.2°	179.8°
N3	C2	C3	C	176.7°	179.8°
N3	C2	N1	C1	178.4°	179.7°
C2	N3	C5	H4	2.2°	15.6°
C2	C3	C	N4	173.3°	180.0°
C2	C3	C	N	2.6°	0.1°
C3	C2	N1	C1	0.6°	0.1°
C3	C	N4	N	175.8°	180.0°
C	C3	C2	N1	1.5°	0.0°
C3	C	N	C1	1.5°	0.1°
C3	C	N4	H1	175.8°	0.1°
C3	C	N4	H2	64.2°	180.0°
N4	C	N	C1	174.6°	179.9°
C	N4	H1	H2	120.0°	179.9°
C2	N1	C1	N	1.9°	0.1°
C2	N1	C1	H3	178.1°	180.0°
C	N	C1	N1	0.9°	0.1°
N	C	N4	H1	0.0°	179.9°
N	C	N4	H2	120.0°	0.0°
C	N	C1	H3	179.1°	180.0°
N1	C1	N	H3	180.0°	179.9°
H4	C5	C6	H11	162.9°	146.4°
H5	C8	C9	H6	176.4°	64.1°
H5	C8	C9	H7	64.1°	175.9°
H5	C8	C7	H9	102.9°	146.5°
H6	C9	O1	H8	59.7°	60.0°
H7	C9	O1	H8	59.7°	60.0°
H9	C7	O2	H10	56.8°	61.2°
H9	C7	C6	H11	37.5°	0.0°
H11	C6	O3	H12	54.8°	61.2°

Release date:	2024-12-11
Definition date:	2024-01-17
Last modified:	2024-12-06
Release status:	REL
Processing site:	RCSB
Derived from:	7GYR