A1ATV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O5	S1	sing	1.66Å	1.52Å
O3	S1	sing	1.66Å	1.69Å
O3	C11	sing	1.36Å	1.44Å
C12	C11	doub	1.39Å	1.53Å	Aromatic
C12	C13	sing	1.38Å	1.34Å	Aromatic
S1	O4	sing	1.66Å	1.53Å
C11	C10	sing	1.39Å	1.33Å	Aromatic
C13	C8	doub	1.39Å	1.54Å	Aromatic
C10	C9	doub	1.38Å	1.52Å	Aromatic
C8	C9	sing	1.39Å	1.30Å	Aromatic
C8	O2	sing	1.36Å	1.42Å
O2	C7	sing	1.43Å	1.43Å
C1	C2	sing	1.51Å	1.54Å
C7	C6	sing	1.51Å	1.53Å
C14	C6	doub	1.38Å	1.31Å	Aromatic
C14	C15	sing	1.38Å	1.52Å	Aromatic
C6	C5	sing	1.38Å	1.54Å	Aromatic
C15	C3	doub	1.39Å	1.32Å	Aromatic
C2	O1	doub	1.21Å	1.18Å
C2	N1	sing	1.35Å	1.47Å
C5	C4	doub	1.38Å	1.33Å	Aromatic
C3	C4	sing	1.39Å	1.54Å	Aromatic
C3	N1	sing	1.40Å	1.46Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C4	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C7	H6	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
O4	H8	sing	0.97Å	0.95Å
O5	H9	sing	0.97Å	0.95Å
C9	H10	sing	1.08Å	1.08Å
C10	H11	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å
C13	H13	sing	1.08Å	1.08Å
C14	H14	sing	1.08Å	1.08Å
C15	H15	sing	1.08Å	1.08Å
N1	H16	sing	0.97Å	1.00Å
S1	F1	sing	1.61Å	1.68Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O5	S1	O3	116.6°	180.0°
O5	S1	O4	101.4°	90.0°
S1	O5	H9	109.5°	114.0°
O5	S1	F1	103.7°	90.0°
S1	O3	C11	116.9°	114.0°
O3	S1	O4	106.6°	90.0°
O3	S1	F1	116.6°	90.0°
O3	C11	C12	123.4°	120.0°
O3	C11	C10	121.2°	120.0°
C11	C12	C13	120.2°	120.0°
C12	C11	C10	115.3°	120.0°
C11	C12	H12	119.9°	120.0°
C12	C13	C8	122.5°	120.0°
C13	C12	H12	119.9°	120.0°
C12	C13	H13	118.8°	120.0°
S1	O4	H8	109.5°	113.9°
O4	S1	F1	111.0°	120.0°
C11	C10	C9	124.9°	120.0°
C11	C10	H11	117.6°	120.0°
C13	C8	C9	117.0°	120.0°
C13	C8	O2	120.6°	120.0°
C8	C13	H13	118.7°	120.0°
C10	C9	C8	120.1°	120.0°
C10	C9	H10	120.0°	120.0°
C9	C10	H11	117.6°	120.0°
C9	C8	O2	122.4°	120.0°
C8	C9	H10	119.9°	120.0°
C8	O2	C7	123.6°	117.0°
O2	C7	C6	105.7°	109.5°
O2	C7	H6	110.4°	109.5°
O2	C7	H7	110.4°	109.5°
C1	C2	O1	116.7°	120.1°
C1	C2	N1	125.6°	119.9°
C2	C1	H1	109.5°	109.4°
C2	C1	H2	109.5°	109.5°
C2	C1	H3	109.5°	109.5°
C7	C6	C14	115.6°	119.9°
C7	C6	C5	125.6°	119.9°
C6	C7	H6	110.4°	109.4°
C6	C7	H7	110.4°	109.5°
C6	C14	C15	121.4°	120.1°
C14	C6	C5	118.8°	120.1°
C6	C14	H14	119.3°	120.0°
C14	C15	C3	120.6°	119.9°
C15	C14	H14	119.3°	119.9°
C14	C15	H15	119.7°	120.1°
C6	C5	C4	120.2°	120.1°
C6	C5	H5	119.9°	119.9°
C15	C3	C4	118.6°	119.9°
C15	C3	N1	119.8°	120.0°
C3	C15	H15	119.7°	120.1°
O1	C2	N1	117.7°	120.0°
C2	N1	C3	125.2°	120.0°
C2	N1	H16	117.4°	120.1°
C5	C4	C3	120.3°	120.0°
C5	C4	H4	119.8°	120.1°
C4	C5	H5	119.9°	120.0°
C4	C3	N1	121.6°	120.1°
C3	C4	H4	119.9°	120.0°
C3	N1	H16	117.4°	120.0°
H1	C1	H2	109.5°	109.4°
H1	C1	H3	109.4°	109.4°
H2	C1	H3	109.4°	109.5°
H6	C7	H7	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O5	S1	O3	O4	112.3°	52.4°
O5	S1	O3	F1	123.1°	67.6°
O5	S1	O3	C11	162.1°	127.6°
O5	S1	O4	F1	109.6°	90.0°
O5	S1	O4	H8	180.0°	0.0°
S1	O3	C11	C12	143.6°	90.0°
O3	S1	O4	F1	128.0°	90.0°
S1	O3	C11	C10	36.1°	90.1°
O3	S1	O4	H8	57.6°	180.0°
O3	S1	O5	H9	180.0°	112.4°
O3	C11	C12	C10	179.8°	179.9°
O3	C11	C12	C13	179.9°	179.8°
C11	O3	S1	O4	49.8°	180.0°
O3	C11	C10	C9	178.7°	180.0°
O3	C11	C10	H11	1.3°	0.2°
O3	C11	C12	H12	0.1°	0.1°
C11	O3	S1	F1	74.8°	60.0°
C11	C12	C13	H12	180.0°	179.7°
C11	C12	C13	C8	1.0°	0.6°
C12	C11	C10	C9	1.1°	0.1°
C12	C11	C10	H11	179.0°	179.9°
C11	C12	C13	H13	179.0°	180.0°
C13	C12	C11	C10	0.1°	0.3°
C12	C13	C8	H13	180.0°	179.4°
C12	C13	C8	C9	0.7°	0.6°
C12	C13	C8	O2	179.9°	179.7°
O4	S1	O5	H9	64.7°	60.0°
C11	C10	C9	H11	180.0°	179.9°
C11	C10	C9	C8	1.4°	0.1°
C11	C10	C9	H10	178.6°	180.0°
C10	C11	C12	H12	179.9°	180.0°
C13	C8	C9	C10	0.4°	0.4°
C13	C8	C9	O2	179.2°	179.6°
C13	C8	O2	C7	157.2°	0.4°
C13	C8	C9	H10	179.5°	179.7°
C8	C13	C12	H12	179.0°	179.7°
C10	C9	C8	H10	180.0°	179.9°
C10	C9	C8	O2	178.8°	180.0°
C9	C8	O2	C7	23.7°	180.0°
C8	C9	C10	H11	178.6°	180.0°
C9	C8	C13	H13	179.3°	180.0°
C8	O2	C7	C6	140.1°	180.0°
C8	O2	C7	H6	100.5°	60.1°
C8	O2	C7	H7	20.7°	59.9°
O2	C8	C9	H10	1.3°	0.1°
O2	C8	C13	H13	0.1°	0.3°
O2	C7	C6	H6	119.4°	120.0°
O2	C7	C6	H7	119.4°	120.1°
O2	C7	C6	C14	77.8°	89.9°
O2	C7	C6	C5	99.9°	90.0°
O2	C7	H6	H7	121.7°	120.0°
C1	C2	O1	N1	179.5°	180.0°
C1	C2	N1	C3	1.5°	175.4°
C2	C1	H1	H2	120.0°	120.0°
C2	C1	H1	H3	120.0°	120.0°
C2	C1	H2	H3	120.0°	120.1°
C1	C2	N1	H16	178.5°	4.7°
C7	C6	C14	C5	177.9°	179.9°
C7	C6	C14	C15	178.6°	179.7°
C7	C6	C5	C4	178.2°	179.9°
C7	C6	C5	H5	1.8°	0.1°
C6	C7	H6	H7	121.8°	119.9°
C7	C6	C14	H14	1.4°	0.1°
C6	C14	C15	H14	180.0°	179.8°
C6	C14	C15	C3	1.3°	0.5°
C14	C6	C5	C4	0.5°	0.0°
C14	C6	C5	H5	179.5°	180.0°
C14	C6	C7	H6	162.8°	30.1°
C14	C6	C7	H7	41.6°	150.0°
C6	C14	C15	H15	178.7°	180.0°
C15	C14	C6	C5	0.7°	0.2°
C14	C15	C3	H15	180.0°	179.5°
C14	C15	C3	C4	1.5°	0.5°
C14	C15	C3	N1	179.0°	179.7°
C6	C5	C4	H5	180.0°	180.0°
C6	C5	C4	C3	0.7°	0.0°
C6	C5	C4	H4	179.3°	179.9°
C5	C6	C7	H6	19.5°	150.0°
C5	C6	C7	H7	140.7°	30.0°
C5	C6	C14	H14	179.3°	180.0°
C15	C3	N1	C2	37.4°	145.2°
C15	C3	C4	C5	1.2°	0.3°
C15	C3	C4	N1	177.5°	179.8°
C15	C3	C4	H4	178.7°	179.9°
C3	C15	C14	H14	178.7°	179.7°
C15	C3	N1	H16	142.6°	34.9°
O1	C2	N1	C3	179.0°	4.6°
O1	C2	C1	H1	0.0°	0.0°
O1	C2	C1	H2	120.0°	119.9°
O1	C2	C1	H3	120.0°	119.9°
O1	C2	N1	H16	1.0°	175.3°
C2	N1	C3	C4	145.1°	35.1°
C2	N1	C3	H16	180.0°	179.9°
N1	C2	C1	H1	179.5°	180.0°
N1	C2	C1	H2	60.5°	60.0°
N1	C2	C1	H3	59.5°	60.1°
C5	C4	C3	H4	180.0°	179.9°
C5	C4	C3	N1	178.7°	180.0°
C3	C4	C5	H5	179.3°	180.0°
C4	C3	C15	H15	178.5°	180.0°
C4	C3	N1	H16	34.9°	144.8°
N1	C3	C4	H4	1.3°	0.1°
N1	C3	C15	H15	1.0°	0.2°
H1	C1	H2	H3	119.9°	120.0°
H4	C4	C5	H5	0.7°	0.1°
H8	O4	S1	F1	70.4°	90.0°
H9	O5	S1	F1	50.4°	180.0°
H10	C9	C10	H11	1.4°	0.1°
H12	C12	C13	H13	1.0°	0.3°
H14	C14	C15	H15	1.3°	0.2°

Release date:	2025-05-07
Definition date:	2024-05-31
Last modified:	2025-05-02
Release status:	REL
Processing site:	RCSB
Derived from:	9C0P