WZ0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C14	C11	sing	1.51Å	1.50Å
C9	C10	doub	1.37Å	1.37Å	Aromatic
C9	C8	sing	1.40Å	1.40Å	Aromatic
C11	C8	sing	1.46Å	1.45Å
C11	C12	doub	1.36Å	1.37Å
CL1	C12	sing	1.74Å	1.74Å
C10	C5	sing	1.39Å	1.40Å	Aromatic
C8	C7	doub	1.41Å	1.40Å	Aromatic
C12	C13	sing	1.41Å	1.44Å
S1	P1	doub	1.86Å	1.91Å
C5	O3	sing	1.36Å	1.40Å
C5	C6	doub	1.39Å	1.38Å	Aromatic
C7	C6	sing	1.39Å	1.38Å	Aromatic
C7	O5	sing	1.35Å	1.38Å
C13	O5	sing	1.34Å	1.37Å
C13	O4	doub	1.22Å	1.21Å
O3	P1	sing	1.61Å	1.59Å
P1	O1	sing	1.61Å	1.56Å
P1	O2	sing	1.61Å	1.56Å
C2	O1	sing	1.43Å	1.45Å
C2	C1	sing	1.53Å	1.48Å
O2	C3	sing	1.43Å	1.45Å
C3	C4	sing	1.53Å	1.48Å
C4	H1	sing	1.09Å	1.10Å
C4	H2	sing	1.09Å	1.10Å
C4	H3	sing	1.09Å	1.10Å
C6	H4	sing	1.08Å	1.08Å
C10	H5	sing	1.08Å	1.08Å
C1	H6	sing	1.09Å	1.10Å
C1	H7	sing	1.09Å	1.10Å
C1	H8	sing	1.09Å	1.10Å
C14	H9	sing	1.09Å	1.10Å
C14	H10	sing	1.09Å	1.10Å
C14	H11	sing	1.09Å	1.10Å
C2	H12	sing	1.09Å	1.10Å
C2	H13	sing	1.09Å	1.10Å
C3	H14	sing	1.09Å	1.10Å
C3	H15	sing	1.09Å	1.10Å
C9	H16	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C14	C11	C8	120.3°	120.9°
C14	C11	C12	120.2°	120.9°
C11	C14	H9	109.5°	109.5°
C11	C14	H10	109.5°	109.5°
C11	C14	H11	109.5°	109.5°
C10	C9	C8	121.6°	119.8°
C9	C10	C5	119.8°	120.5°
C9	C10	H5	120.1°	119.8°
C10	C9	H16	119.2°	120.1°
C9	C8	C11	124.9°	121.0°
C9	C8	C7	116.8°	120.0°
C8	C9	H16	119.2°	120.1°
C8	C11	C12	119.5°	118.2°
C11	C8	C7	118.3°	119.0°
C11	C12	CL1	119.7°	120.1°
C11	C12	C13	120.8°	119.8°
CL1	C12	C13	119.5°	120.1°
C10	C5	O3	118.7°	119.8°
C10	C5	C6	120.5°	120.5°
C5	C10	H5	120.1°	119.8°
C8	C7	C6	122.9°	119.5°
C8	C7	O5	121.3°	119.9°
C12	C13	O5	118.6°	121.7°
C12	C13	O4	125.9°	119.2°
S1	P1	O3	114.0°	109.5°
S1	P1	O1	117.2°	109.5°
S1	P1	O2	117.3°	109.4°
O3	C5	C6	120.8°	119.7°
C5	O3	P1	123.1°	114.0°
C5	C6	C7	118.5°	119.8°
C5	C6	H4	120.8°	120.1°
C6	C7	O5	115.8°	120.7°
C7	C6	H4	120.8°	120.2°
C7	O5	C13	121.6°	121.4°
O5	C13	O4	115.5°	119.1°
O3	P1	O1	101.9°	109.5°
O3	P1	O2	101.7°	109.5°
O1	P1	O2	102.4°	109.5°
P1	O1	C2	121.5°	123.0°
P1	O2	C3	121.5°	123.0°
O1	C2	C1	110.3°	109.5°
O1	C2	H12	109.3°	109.4°
O1	C2	H13	109.3°	109.5°
C2	C1	H6	109.5°	109.4°
C2	C1	H7	109.5°	109.4°
C2	C1	H8	109.5°	109.4°
C1	C2	H12	109.3°	109.5°
C1	C2	H13	109.3°	109.5°
O2	C3	C4	110.4°	109.5°
O2	C3	H14	109.2°	109.5°
O2	C3	H15	109.2°	109.4°
C3	C4	H1	109.5°	109.5°
C3	C4	H2	109.4°	109.5°
C3	C4	H3	109.5°	109.5°
C4	C3	H14	109.2°	109.5°
C4	C3	H15	109.3°	109.4°
H1	C4	H2	109.5°	109.4°
H1	C4	H3	109.5°	109.5°
H2	C4	H3	109.5°	109.5°
H6	C1	H7	109.4°	109.5°
H6	C1	H8	109.5°	109.5°
H7	C1	H8	109.5°	109.5°
H9	C14	H10	109.5°	109.5°
H9	C14	H11	109.5°	109.5°
H10	C14	H11	109.4°	109.4°
H12	C2	H13	109.5°	109.5°
H14	C3	H15	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C14	C11	C8	C9	0.1°	0.0°
C14	C11	C8	C12	179.9°	180.0°
C14	C11	C12	CL1	0.1°	0.0°
C14	C11	C8	C7	179.9°	180.0°
C14	C11	C12	C13	179.9°	180.0°
C11	C14	H9	H10	120.0°	120.0°
C11	C14	H9	H11	120.0°	120.0°
C11	C14	H10	H11	120.0°	120.0°
C10	C9	C8	H16	180.0°	179.5°
C10	C9	C8	C11	180.0°	179.7°
C9	C10	C5	H5	180.0°	179.7°
C10	C9	C8	C7	0.0°	0.2°
C9	C10	C5	O3	179.8°	179.7°
C9	C10	C5	C6	0.3°	0.6°
C9	C8	C11	C7	180.0°	179.9°
C9	C8	C11	C12	179.9°	180.0°
C8	C9	C10	C5	0.2°	0.6°
C9	C8	C7	C6	0.1°	0.1°
C9	C8	C7	O5	180.0°	180.0°
C8	C9	C10	H5	179.8°	179.8°
C8	C11	C12	CL1	180.0°	180.0°
C8	C11	C12	C13	0.1°	0.1°
C11	C8	C7	C6	179.9°	180.0°
C11	C8	C7	O5	0.0°	0.0°
C8	C11	C14	H9	180.0°	90.0°
C8	C11	C14	H10	60.0°	150.0°
C8	C11	C14	H11	60.0°	30.0°
C11	C8	C9	H16	0.1°	0.2°
C11	C12	CL1	C13	179.9°	179.9°
C12	C11	C8	C7	0.0°	0.1°
C11	C12	C13	O5	0.1°	0.0°
C11	C12	C13	O4	180.0°	179.9°
C12	C11	C14	H9	0.0°	90.0°
C12	C11	C14	H10	120.0°	30.0°
C12	C11	C14	H11	120.1°	150.0°
CL1	C12	C13	O5	180.0°	180.0°
CL1	C12	C13	O4	0.0°	0.0°
C10	C5	O3	C6	179.4°	179.7°
C10	C5	C6	C7	0.4°	0.3°
C10	C5	O3	P1	87.7°	90.3°
C10	C5	C6	H4	179.6°	179.7°
C5	C10	C9	H16	179.8°	179.9°
C8	C7	C6	C5	0.3°	0.0°
C8	C7	C6	O5	179.9°	180.0°
C8	C7	O5	C13	0.0°	0.0°
C8	C7	C6	H4	179.7°	180.0°
C7	C8	C9	H16	179.9°	179.7°
C12	C13	O5	C7	0.0°	0.0°
C12	C13	O5	O4	180.0°	180.0°
S1	P1	O3	C5	56.2°	44.9°
S1	P1	O3	O1	127.2°	120.0°
S1	P1	O3	O2	127.3°	120.0°
S1	P1	O1	O2	129.9°	120.0°
S1	P1	O1	C2	56.6°	45.0°
S1	P1	O2	C3	67.4°	45.0°
O3	C5	C6	C7	179.8°	180.0°
C5	O3	P1	O1	176.6°	165.0°
C5	O3	P1	O2	71.1°	75.0°
O3	C5	C6	H4	0.2°	0.0°
O3	C5	C10	H5	0.2°	0.0°
C5	C6	C7	H4	180.0°	180.0°
C5	C6	C7	O5	179.8°	180.0°
C6	C5	O3	P1	91.7°	90.0°
C6	C5	C10	H5	179.7°	179.7°
C6	C7	O5	C13	179.9°	180.0°
C7	O5	C13	O4	180.0°	180.0°
O5	C7	C6	H4	0.2°	0.0°
O3	P1	O1	O2	105.0°	120.0°
O3	P1	O1	C2	68.6°	165.0°
O3	P1	O2	C3	167.5°	75.0°
P1	O1	C2	C1	177.6°	180.0°
O1	P1	O2	C3	62.4°	165.0°
P1	O1	C2	H12	62.2°	60.0°
P1	O1	C2	H13	57.5°	60.0°
O2	P1	O1	C2	173.6°	75.0°
P1	O2	C3	C4	179.8°	180.0°
P1	O2	C3	H14	59.7°	59.9°
P1	O2	C3	H15	60.1°	60.0°
O1	C2	C1	H12	120.1°	120.0°
O1	C2	C1	H13	120.1°	120.0°
O1	C2	C1	H6	180.0°	60.0°
O1	C2	C1	H7	60.0°	60.0°
O1	C2	C1	H8	60.0°	180.0°
O1	C2	H12	H13	119.6°	120.0°
C2	C1	H6	H7	120.0°	120.0°
C2	C1	H6	H8	120.0°	119.9°
C2	C1	H7	H8	120.0°	120.0°
C1	C2	H12	H13	119.6°	120.0°
O2	C3	C4	H14	120.1°	120.0°
O2	C3	C4	H15	120.1°	120.0°
O2	C3	C4	H1	180.0°	60.0°
O2	C3	C4	H2	60.0°	60.0°
O2	C3	C4	H3	60.0°	180.0°
O2	C3	H14	H15	119.6°	120.0°
C3	C4	H1	H2	120.0°	120.0°
C3	C4	H1	H3	120.0°	120.0°
C3	C4	H2	H3	120.0°	120.0°
C4	C3	H14	H15	119.6°	120.0°
H1	C4	H2	H3	120.0°	119.9°
H1	C4	C3	H14	59.9°	60.1°
H1	C4	C3	H15	59.9°	179.9°
H2	C4	C3	H14	179.9°	180.0°
H2	C4	C3	H15	60.1°	60.0°
H3	C4	C3	H14	60.1°	60.0°
H3	C4	C3	H15	179.9°	60.0°
H5	C10	C9	H16	0.2°	0.3°
H6	C1	H7	H8	120.0°	120.1°
H6	C1	C2	H12	59.9°	60.0°
H6	C1	C2	H13	59.9°	180.0°
H7	C1	C2	H12	179.9°	180.0°
H7	C1	C2	H13	60.1°	59.9°
H8	C1	C2	H12	60.1°	60.0°
H8	C1	C2	H13	179.9°	60.1°
H9	C14	H10	H11	120.0°	120.0°

Release date:	2023-10-25
Definition date:	2022-10-24
Last modified:	2023-10-20
Release status:	REL
Processing site:	RCSB
Derived from:	8H7R