A1JLF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
V1	O5	doub	0.00Å	1.65Å
V1	O4	doub	0.00Å	1.64Å
V1	O2	sing	0.00Å	1.92Å
V1	O3	sing	0.00Å	2.00Å
V1	N1	sing	0.00Å	2.13Å
N1	C7	doub	0.00Å	1.30Å
C7	C2	sing	0.00Å	1.43Å
C1	C2	doub	0.00Å	1.41Å	Aromatic
C2	C3	sing	0.00Å	1.41Å	Aromatic
C4	C3	doub	0.00Å	1.38Å	Aromatic
C4	C5	sing	0.00Å	1.39Å	Aromatic
C5	C6	doub	0.00Å	1.39Å	Aromatic
C6	C1	sing	0.00Å	1.43Å	Aromatic
O2	C1	sing	0.00Å	1.32Å
O1	C6	sing	0.00Å	1.36Å
O1	C9	sing	0.00Å	1.45Å
C9	C10	sing	0.00Å	1.49Å
N2	N1	sing	0.00Å	1.40Å
N2	C8	sing	0.00Å	1.30Å
O3	C8	doub	0.00Å	1.31Å
C8	C11	sing	0.00Å	1.46Å
S6	C11	sing	0.00Å	1.38Å	Aromatic
S6	C12	sing	0.00Å	1.36Å	Aromatic
C13	C12	doub	0.00Å	1.30Å	Aromatic
C14	C13	sing	0.00Å	1.47Å	Aromatic
C14	C11	doub	0.00Å	1.34Å	Aromatic
C4	H1	sing	0.00Å	1.08Å
C5	H2	sing	0.00Å	1.08Å
C7	H3	sing	0.00Å	1.08Å
C10	H4	sing	0.00Å	1.10Å
C10	H5	sing	0.00Å	1.10Å
C10	H6	sing	0.00Å	1.10Å
C13	H7	sing	0.00Å	1.08Å
N2	H8	sing	0.00Å	1.00Å
C9	H9	sing	0.00Å	1.10Å
C9	H10	sing	0.00Å	1.10Å
C3	H11	sing	0.00Å	1.08Å
C12	H12	sing	0.00Å	1.08Å
C14	H13	sing	0.00Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O5	V1	O4	115.1°	90.0°
O5	V1	O2	98.2°	90.0°
O5	V1	O3	89.6°	90.0°
O5	V1	N1	145.7°	90.0°
O4	V1	O2	103.5°	90.0°
O4	V1	O3	106.7°	90.0°
O4	V1	N1	98.6°	90.0°
O2	V1	O3	141.8°	90.0°
O2	V1	N1	78.9°	90.0°
V1	O2	C1	129.5°	90.0°
O3	V1	N1	74.0°	90.0°
V1	O3	C8	112.9°	90.0°
V1	N1	C7	123.9°	90.0°
V1	N1	N2	114.2°	90.0°
N1	C7	C2	128.2°	90.0°
C7	N1	N2	113.0°	90.0°
N1	C7	H3	115.9°	90.0°
C7	C2	C1	112.2°	90.0°
C7	C2	C3	127.1°	90.0°
C2	C7	H3	115.9°	90.0°
C1	C2	C3	120.7°	90.0°
C2	C1	C6	117.6°	90.0°
C2	C1	O2	129.1°	90.0°
C2	C3	C4	120.0°	90.0°
C2	C3	H11	120.0°	90.0°
C3	C4	C5	120.8°	90.0°
C3	C4	H1	119.6°	90.0°
C4	C3	H11	120.0°	90.0°
C4	C5	C6	120.0°	90.0°
C5	C4	H1	119.6°	90.0°
C4	C5	H2	120.0°	90.0°
C5	C6	C1	120.9°	90.0°
C5	C6	O1	129.2°	90.0°
C6	C5	H2	120.0°	90.0°
C6	C1	O2	113.3°	90.0°
C1	C6	O1	109.9°	90.0°
C6	O1	C9	121.3°	90.0°
O1	C9	C10	108.1°	90.0°
O1	C9	H9	109.8°	90.0°
O1	C9	H10	109.8°	90.0°
C9	C10	H4	109.5°	90.0°
C9	C10	H5	109.5°	90.0°
C9	C10	H6	109.4°	90.0°
C10	C9	H9	109.8°	90.0°
C10	C9	H10	109.8°	90.0°
N1	N2	C8	107.3°	90.0°
N1	N2	H8	126.4°	90.0°
N2	C8	O3	125.0°	90.0°
N2	C8	C11	119.9°	90.0°
C8	N2	H8	126.4°	90.0°
O3	C8	C11	114.6°	90.0°
C8	C11	S6	111.1°	90.0°
C8	C11	C14	132.4°	90.0°
C11	S6	C12	102.1°	90.0°
S6	C11	C14	115.6°	90.0°
S6	C12	C13	113.2°	90.0°
S6	C12	H12	123.4°	90.0°
C12	C13	C14	108.3°	90.0°
C12	C13	H7	125.9°	90.0°
C13	C12	H12	123.4°	90.0°
C13	C14	C11	100.8°	90.0°
C14	C13	H7	125.8°	90.0°
C13	C14	H13	129.6°	90.0°
C11	C14	H13	129.6°	90.0°
H4	C10	H5	109.5°	90.0°
H4	C10	H6	109.5°	90.0°
H5	C10	H6	109.5°	90.0°
H9	C9	H10	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O5	V1	O4	O2	106.0°	90.0°
O5	V1	O4	O3	97.7°	90.0°
O5	V1	O4	N1	173.5°	90.0°
O5	V1	O2	O3	100.0°	90.0°
O5	V1	O2	N1	145.3°	90.0°
O5	V1	O3	N1	149.4°	90.0°
O5	V1	N1	C7	130.0°	90.0°
O5	V1	O2	C1	173.2°	90.0°
O5	V1	N1	N2	85.1°	90.0°
O5	V1	O3	C8	171.0°	90.0°
O4	V1	O2	O3	141.6°	90.0°
O4	V1	O2	N1	96.3°	90.0°
O4	V1	O3	N1	94.4°	90.0°
O4	V1	N1	C7	60.6°	90.0°
O4	V1	O2	C1	54.8°	90.0°
O4	V1	N1	N2	84.4°	90.0°
O4	V1	O3	C8	72.8°	90.0°
O2	V1	O3	N1	46.5°	90.0°
O2	V1	N1	C7	41.6°	90.0°
V1	O2	C1	C2	31.0°	90.0°
V1	O2	C1	C6	148.7°	90.0°
O2	V1	N1	N2	173.4°	90.0°
O2	V1	O3	C8	68.1°	90.0°
O3	V1	N1	C7	165.5°	90.0°
O3	V1	O2	C1	86.8°	90.0°
O3	V1	N1	N2	20.6°	90.0°
V1	O3	C8	N2	23.0°	90.0°
V1	O3	C8	C11	164.7°	90.0°
V1	N1	C7	N2	145.3°	90.0°
V1	N1	C7	C2	32.5°	90.0°
N1	V1	O2	C1	41.5°	90.0°
V1	N1	N2	C8	15.1°	90.0°
N1	V1	O3	C8	21.6°	90.0°
V1	N1	C7	H3	147.5°	90.0°
V1	N1	N2	H8	164.9°	90.0°
N1	C7	C2	H3	180.0°	90.0°
N1	C7	C2	C1	3.4°	90.0°
N1	C7	C2	C3	176.4°	90.0°
C7	N1	N2	C8	163.9°	90.0°
C7	N1	N2	H8	16.1°	90.0°
C7	C2	C1	C3	179.9°	90.0°
C7	C2	C3	C4	179.9°	90.0°
C7	C2	C1	C6	180.0°	90.0°
C7	C2	C1	O2	0.3°	90.0°
C2	C7	N1	N2	177.9°	90.0°
C7	C2	C3	H11	0.1°	90.0°
C1	C2	C3	C4	0.0°	90.0°
C2	C1	C6	C5	0.2°	90.0°
C2	C1	C6	O2	179.7°	90.0°
C2	C1	C6	O1	179.7°	90.0°
C1	C2	C7	H3	176.6°	90.0°
C1	C2	C3	H11	180.0°	90.0°
C2	C3	C4	H11	180.0°	90.0°
C2	C3	C4	C5	0.2°	90.0°
C3	C2	C1	C6	0.2°	90.0°
C3	C2	C1	O2	179.8°	90.0°
C2	C3	C4	H1	179.9°	90.0°
C3	C2	C7	H3	3.6°	90.0°
C3	C4	C5	H1	180.0°	90.0°
C3	C4	C5	C6	0.1°	90.0°
C3	C4	C5	H2	179.9°	90.0°
C4	C5	C6	H2	180.0°	90.0°
C4	C5	C6	C1	0.0°	90.0°
C4	C5	C6	O1	179.8°	90.0°
C5	C4	C3	H11	179.9°	90.0°
C5	C6	C1	O1	179.9°	90.0°
C5	C6	C1	O2	179.9°	90.0°
C5	C6	O1	C9	0.3°	90.0°
C6	C5	C4	H1	179.9°	90.0°
C1	C6	O1	C9	179.8°	90.0°
C1	C6	C5	H2	180.0°	90.0°
O2	C1	C6	O1	0.0°	90.0°
C6	O1	C9	C10	179.9°	90.0°
O1	C6	C5	H2	0.2°	90.0°
C6	O1	C9	H9	60.1°	90.0°
C6	O1	C9	H10	60.3°	90.0°
O1	C9	C10	H9	119.8°	90.0°
O1	C9	C10	H10	119.8°	90.0°
O1	C9	C10	H4	180.0°	90.0°
O1	C9	C10	H5	60.0°	90.0°
O1	C9	C10	H6	60.0°	90.0°
O1	C9	H9	H10	120.6°	90.0°
C9	C10	H4	H5	120.0°	90.0°
C9	C10	H4	H6	120.0°	90.0°
C9	C10	H5	H6	120.0°	90.0°
C10	C9	H9	H10	120.6°	90.0°
N1	N2	C8	H8	180.0°	90.0°
N1	N2	C8	O3	4.5°	90.0°
N1	N2	C8	C11	176.4°	90.0°
N2	N1	C7	H3	2.1°	90.0°
N2	C8	O3	C11	172.3°	90.0°
N2	C8	C11	S6	18.3°	90.0°
N2	C8	C11	C14	150.3°	90.0°
O3	C8	C11	S6	169.1°	90.0°
O3	C8	C11	C14	22.4°	90.0°
O3	C8	N2	H8	175.5°	90.0°
C8	C11	S6	C14	170.6°	90.0°
C8	C11	S6	C12	170.7°	90.0°
C8	C11	C14	C13	168.2°	90.0°
C11	C8	N2	H8	3.6°	90.0°
C8	C11	C14	H13	11.8°	90.0°
C11	S6	C12	C13	0.1°	90.0°
S6	C11	C14	C13	0.0°	90.0°
C11	S6	C12	H12	179.9°	90.0°
S6	C11	C14	H13	180.0°	90.0°
S6	C12	C13	H12	180.0°	90.0°
S6	C12	C13	C14	0.1°	90.0°
C12	S6	C11	C14	0.1°	90.0°
S6	C12	C13	H7	179.9°	90.0°
C12	C13	C14	H7	180.0°	90.0°
C12	C13	C14	C11	0.0°	90.0°
C12	C13	C14	H13	180.0°	90.0°
C13	C14	C11	H13	180.0°	90.0°
C14	C13	C12	H12	179.9°	90.0°
C11	C14	C13	H7	180.0°	90.0°
H1	C4	C5	H2	0.1°	90.0°
H1	C4	C3	H11	0.1°	90.0°
H4	C10	H5	H6	120.0°	90.0°
H4	C10	C9	H9	60.2°	90.0°
H4	C10	C9	H10	60.2°	90.0°
H5	C10	C9	H9	179.8°	90.0°
H5	C10	C9	H10	59.8°	90.0°
H6	C10	C9	H9	59.8°	90.0°
H6	C10	C9	H10	179.8°	90.0°
H7	C13	C12	H12	0.1°	90.0°
H7	C13	C14	H13	0.0°	90.0°

Release date:	2026-04-01
Definition date:	2025-07-21
Last modified:	2026-03-27
Release status:	REL
Processing site:	PDBE
Derived from:	9S2A