ZV2

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
S1	C1	sing	0.00Å	1.74Å	Aromatic
S1	C2	sing	0.00Å	1.73Å	Aromatic
N1	C1	sing	0.00Å	1.26Å
C1	N2	doub	0.00Å	1.39Å	Aromatic
C2	C3	doub	0.00Å	1.34Å	Aromatic
N2	C3	sing	0.00Å	1.39Å	Aromatic
N2	C4	sing	0.00Å	1.46Å
C4	C5	sing	0.00Å	1.52Å
O1	C5	doub	0.00Å	1.22Å
C5	N3	sing	0.00Å	1.35Å
N3	C6	sing	0.00Å	1.42Å
C6	C7	doub	0.00Å	1.39Å	Aromatic
C6	C11	sing	0.00Å	1.39Å	Aromatic
C7	C8	sing	0.00Å	1.39Å	Aromatic
C11	C10	doub	0.00Å	1.38Å	Aromatic
C8	C9	doub	0.00Å	1.37Å	Aromatic
C10	C9	sing	0.00Å	1.37Å	Aromatic
C9	F1	sing	0.00Å	1.36Å
N1	H1	sing	0.00Å	1.00Å
N1	H2	sing	0.00Å	1.00Å
N3	H3	sing	0.00Å	1.00Å
C4	H4	sing	0.00Å	1.10Å
C4	H5	sing	0.00Å	1.10Å
C7	H6	sing	0.00Å	1.08Å
C8	H7	sing	0.00Å	1.08Å
C10	H8	sing	0.00Å	1.08Å
C2	H9	sing	0.00Å	1.08Å
C3	H10	sing	0.00Å	1.08Å
C11	H11	sing	0.00Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	S1	C2	90.2°	90.0°
S1	C1	N1	124.4°	90.0°
S1	C1	N2	111.7°	90.0°
S1	C2	C3	111.6°	90.0°
S1	C2	H9	124.2°	90.0°
N1	C1	N2	123.9°	90.0°
C1	N1	H1	120.0°	90.0°
C1	N1	H2	120.0°	90.0°
C1	N2	C3	110.7°	90.0°
C1	N2	C4	124.7°	90.0°
C2	C3	N2	115.6°	90.0°
C3	C2	H9	124.2°	90.0°
C2	C3	H10	122.2°	90.0°
C3	N2	C4	124.6°	90.0°
N2	C3	H10	122.2°	90.0°
N2	C4	C5	111.4°	90.0°
N2	C4	H4	109.0°	90.0°
N2	C4	H5	109.0°	90.0°
C4	C5	O1	121.0°	90.0°
C4	C5	N3	113.0°	90.0°
C5	C4	H4	109.0°	90.0°
C5	C4	H5	109.0°	90.0°
O1	C5	N3	126.0°	90.0°
C5	N3	C6	128.9°	90.0°
C5	N3	H3	115.5°	90.0°
N3	C6	C7	124.3°	90.0°
N3	C6	C11	117.1°	90.0°
C6	N3	H3	115.5°	90.0°
C7	C6	C11	118.7°	90.0°
C6	C7	C8	120.6°	90.0°
C6	C7	H6	119.7°	90.0°
C6	C11	C10	121.1°	90.0°
C6	C11	H11	119.5°	90.0°
C7	C8	C9	118.7°	90.0°
C8	C7	H6	119.7°	90.0°
C7	C8	H7	120.7°	90.0°
C11	C10	C9	118.5°	90.0°
C11	C10	H8	120.7°	90.0°
C10	C11	H11	119.5°	90.0°
C8	C9	C10	122.4°	90.0°
C8	C9	F1	118.9°	90.0°
C9	C8	H7	120.6°	90.0°
C10	C9	F1	118.6°	90.0°
C9	C10	H8	120.8°	90.0°
H1	N1	H2	120.0°	90.0°
H4	C4	H5	109.4°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
S1	C1	N1	N2	179.2°	90.0°
C1	S1	C2	C3	4.6°	90.0°
S1	C1	N2	C3	3.3°	90.0°
S1	C1	N2	C4	177.3°	90.0°
S1	C1	N1	H1	0.0°	90.0°
S1	C1	N1	H2	180.0°	90.0°
C1	S1	C2	H9	175.4°	90.0°
C2	S1	C1	N1	176.2°	90.0°
C2	S1	C1	N2	4.5°	90.0°
S1	C2	C3	H9	180.0°	90.0°
S1	C2	C3	N2	3.7°	90.0°
S1	C2	C3	H10	176.3°	90.0°
N1	C1	N2	C3	177.4°	90.0°
N1	C1	N2	C4	2.0°	90.0°
C1	N1	H1	H2	180.0°	90.0°
C1	N2	C3	C2	0.2°	90.0°
C1	N2	C3	C4	179.4°	90.0°
C1	N2	C4	C5	82.9°	90.0°
N2	C1	N1	H1	179.2°	90.0°
N2	C1	N1	H2	0.8°	90.0°
C1	N2	C4	H4	156.8°	90.0°
C1	N2	C4	H5	37.4°	90.0°
C1	N2	C3	H10	179.7°	90.0°
C2	C3	N2	H10	180.0°	90.0°
C2	C3	N2	C4	179.2°	90.0°
C3	N2	C4	C5	97.8°	90.0°
C3	N2	C4	H4	22.5°	90.0°
C3	N2	C4	H5	141.9°	90.0°
N2	C3	C2	H9	176.3°	90.0°
N2	C4	C5	H4	120.3°	90.0°
N2	C4	C5	H5	120.3°	90.0°
N2	C4	C5	O1	6.7°	90.0°
N2	C4	C5	N3	174.5°	90.0°
N2	C4	H4	H5	119.1°	90.0°
C4	N2	C3	H10	0.9°	90.0°
C4	C5	O1	N3	178.6°	90.0°
C4	C5	N3	C6	178.8°	90.0°
C4	C5	N3	H3	1.3°	90.0°
C5	C4	H4	H5	119.1°	90.0°
O1	C5	N3	C6	0.1°	90.0°
O1	C5	N3	H3	180.0°	90.0°
O1	C5	C4	H4	127.0°	90.0°
O1	C5	C4	H5	113.6°	90.0°
C5	N3	C6	H3	180.0°	90.0°
C5	N3	C6	C7	13.6°	90.0°
C5	N3	C6	C11	165.6°	90.0°
N3	C5	C4	H4	54.2°	90.0°
N3	C5	C4	H5	65.2°	90.0°
N3	C6	C7	C11	179.2°	90.0°
N3	C6	C7	C8	178.1°	90.0°
N3	C6	C11	C10	179.9°	90.0°
N3	C6	C7	H6	1.9°	90.0°
N3	C6	C11	H11	0.1°	90.0°
C6	C7	C8	H6	180.0°	90.0°
C7	C6	C11	C10	0.8°	90.0°
C6	C7	C8	C9	1.5°	90.0°
C7	C6	N3	H3	166.4°	90.0°
C6	C7	C8	H7	178.5°	90.0°
C7	C6	C11	H11	179.2°	90.0°
C11	C6	C7	C8	1.2°	90.0°
C6	C11	C10	H11	180.0°	90.0°
C6	C11	C10	C9	2.4°	90.0°
C11	C6	N3	H3	14.4°	90.0°
C11	C6	C7	H6	178.8°	90.0°
C6	C11	C10	H8	177.6°	90.0°
C7	C8	C9	H7	180.0°	90.0°
C7	C8	C9	C10	0.3°	90.0°
C7	C8	C9	F1	177.9°	90.0°
C11	C10	C9	C8	2.2°	90.0°
C11	C10	C9	H8	180.0°	90.0°
C11	C10	C9	F1	179.8°	90.0°
C8	C9	C10	F1	177.7°	90.0°
C9	C8	C7	H6	178.6°	90.0°
C8	C9	C10	H8	177.8°	90.0°
C10	C9	C8	H7	179.7°	90.0°
C9	C10	C11	H11	177.6°	90.0°
F1	C9	C8	H7	2.1°	90.0°
F1	C9	C10	H8	0.2°	90.0°
H6	C7	C8	H7	1.4°	90.0°
H8	C10	C11	H11	2.4°	90.0°
H9	C2	C3	H10	3.8°	90.0°

Release date:	2023-07-26
Definition date:	2023-07-05
Last modified:	2023-07-21
Release status:	REL
Processing site:	RCSB
Derived from:	7G9U