W4Z

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CH3	C	sing	1.51Å	1.52Å
O1	C1	sing	1.43Å	1.40Å
N6	C	sing	1.35Å	1.45Å
N6	C6	sing	1.46Å	1.44Å
C	O	doub	1.21Å	1.18Å
C1	O5	sing	1.43Å	1.47Å
C1	C2	sing	1.53Å	1.48Å
O5	C5	sing	1.43Å	1.54Å
C5	C6	sing	1.53Å	1.44Å
C5	C4	sing	1.53Å	1.54Å
O2	C2	sing	1.43Å	1.50Å
C3	C2	sing	1.53Å	1.45Å
C3	C4	sing	1.53Å	1.48Å
C3	O3	sing	1.43Å	1.47Å
C4	O4	sing	1.43Å	1.45Å
C4	H1	sing	1.09Å	1.10Å
C5	H2	sing	1.09Å	1.10Å
C6	H3	sing	1.09Å	1.10Å
C6	H4	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C1	H6	sing	1.09Å	1.10Å
C2	H7	sing	1.09Å	1.10Å
N6	H8	sing	0.97Å	1.00Å
O1	H9	sing	0.97Å	0.95Å
O2	H10	sing	0.97Å	0.95Å
O3	H11	sing	0.97Å	0.95Å
O4	H12	sing	0.97Å	0.95Å
CH3	H13	sing	1.09Å	1.10Å
CH3	H14	sing	1.09Å	1.10Å
CH3	H15	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CH3	C	N6	120.0°	120.0°
CH3	C	O	120.1°	120.0°
C	CH3	H13	109.5°	109.5°
C	CH3	H14	109.5°	109.5°
C	CH3	H15	109.5°	109.5°
O1	C1	O5	109.2°	109.5°
O1	C1	C2	109.1°	109.5°
O1	C1	H6	109.9°	109.5°
C1	O1	H9	109.5°	114.0°
C	N6	C6	119.7°	120.0°
N6	C	O	119.9°	120.0°
C	N6	H8	120.2°	120.0°
N6	C6	C5	109.8°	109.5°
N6	C6	H3	109.4°	109.5°
N6	C6	H4	109.4°	109.5°
C6	N6	H8	120.1°	120.0°
O5	C1	C2	110.8°	109.4°
C1	O5	C5	113.5°	114.1°
O5	C1	H6	109.0°	109.5°
C1	C2	O2	109.8°	109.5°
C1	C2	C3	110.7°	109.1°
C2	C1	H6	108.7°	109.4°
C1	C2	H7	108.8°	109.5°
O5	C5	C6	109.8°	109.5°
O5	C5	C4	107.7°	109.4°
O5	C5	H2	109.0°	109.5°
C6	C5	C4	110.8°	109.5°
C6	C5	H2	110.5°	109.5°
C5	C6	H3	109.4°	109.5°
C5	C6	H4	109.4°	109.4°
C5	C4	C3	110.9°	109.2°
C5	C4	O4	109.2°	109.5°
C5	C4	H1	108.5°	109.5°
C4	C5	H2	109.0°	109.5°
O2	C2	C3	109.7°	109.5°
O2	C2	H7	108.6°	109.6°
C2	O2	H10	109.5°	114.0°
C2	C3	C4	110.7°	109.0°
C2	C3	O3	110.1°	109.6°
C2	C3	H5	109.0°	109.5°
C3	C2	H7	109.2°	109.5°
C4	C3	O3	109.5°	109.5°
C3	C4	O4	109.3°	109.5°
C3	C4	H1	109.2°	109.5°
C4	C3	H5	108.6°	109.6°
O3	C3	H5	108.9°	109.6°
C3	O3	H11	109.5°	114.0°
O4	C4	H1	109.7°	109.5°
C4	O4	H12	109.5°	113.9°
H3	C6	H4	109.5°	109.5°
H13	CH3	H14	109.5°	109.4°
H13	CH3	H15	109.5°	109.5°
H14	CH3	H15	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CH3	C	N6	O	180.0°	179.9°
CH3	C	N6	C6	179.9°	180.0°
CH3	C	N6	H8	0.1°	0.1°
C	CH3	H13	H14	120.0°	120.0°
C	CH3	H13	H15	120.0°	120.1°
C	CH3	H14	H15	120.0°	120.0°
O1	C1	O5	C2	120.3°	120.0°
O1	C1	O5	H6	120.1°	120.1°
O1	C1	C2	H6	119.8°	120.0°
O1	C1	O5	C5	65.7°	58.8°
O1	C1	C2	O2	58.9°	57.5°
O1	C1	C2	C3	62.3°	62.4°
O1	C1	C2	H7	177.7°	177.8°
C	N6	C6	H8	180.0°	179.9°
C	N6	C6	C5	92.5°	179.9°
C	N6	C6	H3	27.5°	60.1°
C	N6	C6	H4	147.5°	60.0°
N6	C	CH3	H13	180.0°	90.0°
N6	C	CH3	H14	60.0°	150.1°
N6	C	CH3	H15	60.0°	30.1°
C6	N6	C	O	0.2°	0.1°
N6	C6	C5	O5	66.0°	65.0°
N6	C6	C5	H3	120.0°	120.0°
N6	C6	C5	H4	120.0°	120.0°
N6	C6	C5	C4	175.1°	175.0°
N6	C6	C5	H2	54.2°	55.0°
N6	C6	H3	H4	119.9°	120.1°
O	C	N6	H8	179.8°	180.0°
O	C	CH3	H13	0.0°	89.9°
O	C	CH3	H14	120.0°	30.0°
O	C	CH3	H15	120.0°	150.0°
O5	C1	C2	H6	119.8°	120.0°
C1	O5	C5	C6	172.8°	178.9°
C1	O5	C5	C4	52.0°	61.1°
O5	C1	C2	O2	179.3°	177.5°
O5	C1	C2	C3	58.1°	57.6°
C1	O5	C5	H2	66.1°	58.9°
O5	C1	C2	H7	61.9°	62.2°
O5	C1	O1	H9	180.0°	60.0°
C2	C1	O5	C5	54.6°	61.2°
C1	C2	O2	C3	121.9°	119.7°
C1	C2	O2	H7	118.9°	120.1°
C1	C2	C3	H7	119.8°	119.8°
C1	C2	C3	C4	61.2°	57.0°
C1	C2	C3	O3	177.5°	176.8°
C1	C2	C3	H5	58.2°	62.9°
C2	C1	O1	H9	58.7°	180.0°
C1	C2	O2	H10	180.0°	60.3°
O5	C5	C6	C4	118.9°	120.0°
O5	C5	C6	H2	120.2°	120.0°
O5	C5	C4	H2	118.2°	120.0°
O5	C5	C4	C3	53.6°	57.6°
O5	C5	C4	O4	174.1°	177.5°
O5	C5	C4	H1	66.4°	62.3°
O5	C5	C6	H3	54.0°	174.9°
O5	C5	C6	H4	173.9°	55.0°
C5	O5	C1	H6	174.3°	178.9°
C6	C5	C4	H2	121.8°	120.0°
C6	C5	C4	C3	173.7°	177.6°
C6	C5	C4	O4	65.8°	62.5°
C6	C5	C4	H1	53.7°	57.6°
C5	C6	H3	H4	119.9°	119.9°
C5	C6	N6	H8	87.5°	0.0°
C5	C4	C3	C2	60.2°	56.9°
C5	C4	C3	O4	120.5°	119.9°
C5	C4	C3	H1	119.6°	119.9°
C5	C4	C3	O3	178.2°	176.8°
C5	C4	O4	H1	118.8°	120.1°
C4	C5	C6	H3	64.9°	55.0°
C4	C5	C6	H4	55.1°	65.0°
C5	C4	C3	H5	59.5°	62.9°
C5	C4	O4	H12	180.0°	179.9°
O2	C2	C3	H7	118.9°	120.2°
O2	C2	C3	C4	177.5°	176.9°
O2	C2	C3	O3	56.2°	63.2°
O2	C2	C3	H5	63.1°	57.0°
O2	C2	C1	H6	60.9°	62.5°
C2	C3	C4	O3	121.6°	119.9°
C2	C3	C4	H5	119.7°	119.9°
C2	C3	O3	H5	119.4°	120.2°
C2	C3	C4	O4	179.4°	176.9°
C2	C3	C4	H1	59.4°	63.0°
C3	C2	C1	H6	177.9°	177.6°
C3	C2	O2	H10	58.2°	180.0°
C2	C3	O3	H11	180.0°	59.9°
C4	C3	O3	H5	118.6°	120.2°
C3	C4	O4	H1	119.7°	120.1°
C3	C4	C5	H2	64.5°	62.4°
C4	C3	C2	H7	58.5°	62.9°
C4	C3	O3	H11	58.0°	179.5°
C3	C4	O4	H12	58.5°	60.2°
O3	C3	C4	O4	57.8°	63.2°
O3	C3	C4	H1	62.2°	56.9°
O3	C3	C2	H7	62.7°	57.0°
O4	C4	C5	H2	56.0°	57.5°
O4	C4	C3	H5	61.0°	57.0°
H1	C4	C5	H2	175.5°	177.6°
H1	C4	C3	H5	179.1°	177.1°
H1	C4	O4	H12	61.2°	60.0°
H2	C5	C6	H3	174.2°	65.0°
H2	C5	C6	H4	65.9°	175.0°
H3	C6	N6	H8	152.5°	120.0°
H4	C6	N6	H8	32.5°	119.9°
H5	C3	C2	H7	178.0°	177.2°
H5	C3	O3	H11	60.6°	60.2°
H6	C1	C2	H7	57.9°	57.7°
H6	C1	O1	H9	60.4°	60.0°
H7	C2	O2	H10	61.1°	59.8°
H13	CH3	H14	H15	120.0°	120.0°

Release date:	2023-09-27
Definition date:	2023-09-20
Last modified:	2023-09-22
Release status:	REL
Processing site:	PDBJ
Derived from:	8JAC