MZU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O9	C9	sing	1.43Å	1.42Å
O8	C8	sing	1.43Å	1.42Å
C8	C9	sing	1.55Å	1.54Å
C8	C6	sing	1.55Å	1.54Å
C9	C5	sing	1.54Å	1.54Å
O7	P1	doub	1.48Å	1.52Å
C6	C7	sing	1.53Å	1.51Å
C6	O3	sing	1.44Å	1.44Å
O5	P1	sing	1.61Å	1.52Å
C5	C4	sing	1.51Å	1.50Å
C5	O3	sing	1.44Å	1.43Å
O4	P1	sing	1.61Å	1.60Å
O4	C7	sing	1.43Å	1.45Å
P1	O6	sing	1.61Å	1.53Å
C4	N3	doub	1.31Å	1.36Å	Aromatic
C4	C1	sing	1.40Å	1.39Å	Aromatic
N3	N2	sing	1.28Å	1.36Å	Aromatic
C1	N1	sing	1.39Å	1.40Å
C1	C2	doub	1.39Å	1.37Å	Aromatic
N2	C2	sing	1.37Å	1.34Å	Aromatic
C2	C3	sing	1.46Å	1.46Å
C3	O1	doub	1.22Å	1.22Å
C3	O2	sing	1.35Å	1.21Å
C5	H1	sing	1.09Å	1.10Å
O2	H2	sing	0.97Å	0.95Å
O5	H3	sing	0.97Å	0.95Å
O6	H4	sing	0.97Å	0.95Å
N1	H5	sing	0.97Å	1.00Å
N1	H6	sing	0.97Å	1.00Å
N2	H7	sing	0.97Å	1.00Å
C6	H8	sing	1.09Å	1.10Å
C7	H9	sing	1.09Å	1.10Å
C7	H10	sing	1.09Å	1.10Å
C8	H11	sing	1.09Å	1.10Å
O8	H12	sing	0.97Å	0.95Å
C9	H13	sing	1.09Å	1.10Å
O9	H14	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O9	C9	C8	109.2°	110.5°
O9	C9	C5	110.6°	110.5°
O9	C9	H13	111.8°	110.6°
C9	O9	H14	109.5°	114.0°
O8	C8	C9	111.1°	110.5°
O8	C8	C6	111.7°	110.5°
O8	C8	H11	110.5°	110.5°
C8	O8	H12	109.5°	113.9°
C9	C8	C6	105.6°	104.1°
C8	C9	C5	104.8°	104.0°
C9	C8	H11	108.9°	110.5°
C8	C9	H13	110.1°	110.5°
C8	C6	C7	115.3°	110.4°
C8	C6	O3	107.6°	104.7°
C8	C6	H8	108.1°	110.5°
C6	C8	H11	108.9°	110.5°
C9	C5	C4	116.3°	110.4°
C9	C5	O3	107.1°	104.8°
C9	C5	H1	108.0°	110.5°
C5	C9	H13	110.1°	110.5°
O7	P1	O5	113.9°	109.4°
O7	P1	O4	105.7°	109.5°
O7	P1	O6	112.3°	109.5°
C7	C6	O3	107.9°	110.4°
C6	C7	O4	109.1°	109.5°
C7	C6	H8	108.5°	110.4°
C6	C7	H9	109.6°	109.5°
C6	C7	H10	109.6°	109.4°
C6	O3	C5	110.8°	105.3°
O3	C6	H8	109.4°	110.4°
O5	P1	O4	106.6°	109.4°
O5	P1	O6	112.5°	109.4°
P1	O5	H3	109.5°	114.0°
C4	C5	O3	107.6°	110.4°
C5	C4	N3	123.0°	126.0°
C5	C4	C1	130.2°	126.1°
C4	C5	H1	108.4°	110.3°
O3	C5	H1	109.3°	110.4°
P1	O4	C7	117.5°	123.0°
O4	P1	O6	105.1°	109.5°
O4	C7	H9	109.5°	109.5°
O4	C7	H10	109.6°	109.5°
P1	O6	H4	109.5°	114.0°
N3	C4	C1	106.7°	107.9°
C4	N3	N2	110.1°	111.3°
C4	C1	N1	127.1°	127.4°
C4	C1	C2	106.4°	105.1°
N3	N2	C2	106.8°	109.7°
N3	N2	H7	126.6°	125.2°
N1	C1	C2	126.4°	127.4°
C1	N1	H5	109.5°	120.0°
C1	N1	H6	109.5°	120.0°
C1	C2	N2	110.0°	106.0°
C1	C2	C3	130.2°	127.0°
N2	C2	C3	119.8°	127.1°
C2	N2	H7	126.6°	125.2°
C2	C3	O1	117.9°	120.1°
C2	C3	O2	117.0°	120.0°
O1	C3	O2	125.1°	119.9°
C3	O2	H2	109.5°	114.1°
H5	N1	H6	109.5°	120.0°
H9	C7	H10	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O9	C9	C8	O8	10.1°	0.0°
O9	C9	C8	C5	118.6°	118.6°
O9	C9	C8	H13	123.1°	122.7°
O9	C9	C8	C6	131.3°	118.6°
O9	C9	C5	H13	124.1°	122.8°
O9	C9	C5	C4	102.3°	98.6°
O9	C9	C5	O3	137.4°	142.6°
O9	C9	C5	H1	19.8°	23.7°
O9	C9	C8	H11	111.8°	122.7°
O8	C8	C9	C6	121.3°	118.6°
O8	C8	C9	H11	121.9°	122.7°
O8	C8	C6	H11	122.3°	122.7°
O8	C8	C9	C5	108.5°	118.6°
O8	C8	C6	C7	120.3°	98.6°
O8	C8	C6	O3	119.2°	142.6°
O8	C8	C6	H8	1.2°	23.8°
O8	C8	C9	H13	133.2°	122.7°
C9	C8	C6	H11	116.9°	118.7°
C8	C9	C5	H13	118.3°	118.6°
C9	C8	C6	C7	118.8°	142.8°
C9	C8	C6	O3	1.6°	24.0°
C8	C9	C5	C4	140.1°	142.8°
C8	C9	C5	O3	19.8°	24.0°
C8	C9	C5	H1	97.8°	94.9°
C9	C8	C6	H8	119.7°	94.9°
C9	C8	O8	H12	180.0°	61.5°
C8	C9	O9	H14	180.0°	61.5°
C6	C8	C9	C5	12.8°	0.0°
C8	C6	C7	O3	120.3°	115.3°
C8	C6	C7	H8	121.3°	122.4°
C8	C6	O3	H8	117.2°	118.9°
C8	C6	O3	C5	11.4°	40.5°
C8	C6	C7	O4	66.9°	178.2°
C8	C6	C7	H9	173.1°	61.8°
C8	C6	C7	H10	53.0°	58.2°
C6	C8	O8	H12	62.4°	176.1°
C6	C8	C9	H13	105.5°	118.7°
C9	C5	O3	C6	19.7°	40.6°
C9	C5	C4	O3	120.1°	115.4°
C9	C5	C4	H1	121.8°	122.3°
C9	C5	O3	H1	116.8°	119.0°
C9	C5	C4	N3	67.2°	71.8°
C9	C5	C4	C1	116.1°	108.1°
C5	C9	C8	H11	129.6°	118.7°
C5	C9	O9	H14	65.2°	176.1°
O7	P1	O5	O4	116.1°	120.0°
O7	P1	O5	O6	129.2°	120.0°
O7	P1	O4	O6	118.9°	120.1°
O7	P1	O4	C7	64.9°	55.0°
O7	P1	O5	H3	0.0°	180.0°
O7	P1	O6	H4	0.0°	59.9°
C7	C6	O3	H8	117.8°	122.3°
C7	C6	O3	C5	136.4°	159.3°
C6	C7	O4	P1	172.3°	179.9°
C6	C7	O4	H9	119.9°	120.1°
C6	C7	O4	H10	120.0°	119.9°
C6	C7	H9	H10	120.2°	120.0°
C7	C6	C8	H11	2.0°	24.1°
C6	O3	C5	C4	145.5°	159.4°
O3	C6	C7	O4	53.4°	66.5°
C6	O3	C5	H1	97.0°	78.4°
O3	C6	C7	H9	66.5°	53.5°
O3	C6	C7	H10	173.3°	173.5°
O3	C6	C8	H11	118.5°	94.7°
O5	P1	O4	O6	119.6°	119.9°
O5	P1	O4	C7	173.6°	65.0°
O5	P1	O6	H4	130.1°	60.1°
C4	C5	O3	H1	117.5°	122.2°
C5	C4	N3	C1	177.4°	179.9°
C5	C4	N3	N2	178.1°	180.0°
C5	C4	C1	N1	2.6°	0.1°
C5	C4	C1	C2	177.8°	179.9°
C4	C5	C9	H13	21.8°	24.2°
O3	C5	C4	N3	52.9°	43.6°
O3	C5	C4	C1	123.8°	136.5°
C5	O3	C6	H8	105.8°	78.4°
O3	C5	C9	H13	98.5°	94.6°
O4	P1	O5	H3	116.1°	60.0°
O4	P1	O6	H4	114.4°	180.0°
P1	O4	C7	H9	67.7°	60.0°
P1	O4	C7	H10	52.4°	60.0°
C7	O4	P1	O6	54.0°	175.1°
O4	C7	C6	H8	171.7°	55.8°
O4	C7	H9	H10	120.2°	120.0°
O6	P1	O5	H3	129.2°	60.0°
N3	C4	C1	N1	179.7°	180.0°
N3	C4	C1	C2	0.7°	0.2°
C4	N3	N2	C2	0.4°	0.0°
N3	C4	C5	H1	171.0°	165.8°
C4	N3	N2	H7	179.5°	179.9°
C1	C4	N3	N2	0.7°	0.1°
C4	C1	N1	C2	179.6°	179.8°
C4	C1	C2	N2	0.4°	0.2°
C4	C1	C2	C3	179.7°	179.8°
C1	C4	C5	H1	5.7°	14.3°
C4	C1	N1	H5	180.0°	179.8°
C4	C1	N1	H6	60.0°	0.2°
N3	N2	C2	C1	0.0°	0.1°
N3	N2	C2	H7	180.0°	179.9°
N3	N2	C2	C3	179.9°	179.8°
N1	C1	C2	N2	179.9°	180.0°
N1	C1	C2	C3	0.1°	0.1°
C1	N1	H5	H6	120.0°	179.9°
C1	C2	N2	C3	179.9°	180.0°
C1	C2	C3	O1	1.6°	0.0°
C1	C2	C3	O2	177.9°	180.0°
C2	C1	N1	H5	0.4°	0.0°
C2	C1	N1	H6	119.6°	180.0°
C1	C2	N2	H7	180.0°	180.0°
N2	C2	C3	O1	178.6°	180.0°
N2	C2	C3	O2	1.9°	0.0°
C2	C3	O1	O2	179.5°	180.0°
C2	C3	O2	H2	179.5°	180.0°
C3	C2	N2	H7	0.1°	0.0°
O1	C3	O2	H2	0.0°	0.0°
H1	C5	C9	H13	143.8°	146.5°
H8	C6	C7	H9	51.8°	175.8°
H8	C6	C7	H10	68.3°	64.2°
H8	C6	C8	H11	123.5°	146.5°
H11	C8	O8	H12	59.0°	61.2°
H11	C8	C9	H13	11.3°	0.0°
H13	C9	O9	H14	57.9°	61.2°

Release date:	2022-09-07
Definition date:	2022-08-09
Last modified:	2023-09-23
Release status:	REL
Processing site:	PDBE
Derived from:	8AOZ