A1IOM

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
V	O5	doub	0.00Å	1.65Å
V	O4	doub	0.00Å	1.64Å
V	O1	sing	0.00Å	1.92Å
V	O2	sing	0.00Å	2.00Å
V	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
O1	C1	sing	0.00Å	1.32Å
O3	C6	sing	0.00Å	1.36Å
O3	C9	sing	0.00Å	1.45Å
C9	C10	sing	0.00Å	1.49Å
N2	N1	sing	0.00Å	1.40Å
N2	C8	doub	0.00Å	1.30Å
O2	C8	sing	0.00Å	1.31Å
C8	C11	sing	0.00Å	1.46Å
O6	C11	sing	0.00Å	1.38Å	Aromatic
O6	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
C3	H2	sing	0.00Å	1.08Å
C7	H3	sing	0.00Å	1.08Å
C5	H4	sing	0.00Å	1.08Å
C4	H5	sing	0.00Å	1.08Å
C9	H6	sing	0.00Å	1.10Å
C9	H7	sing	0.00Å	1.10Å
C10	H8	sing	0.00Å	1.10Å
C10	H9	sing	0.00Å	1.10Å
C10	H10	sing	0.00Å	1.10Å
C14	H11	sing	0.00Å	1.08Å
C13	H12	sing	0.00Å	1.08Å
C12	H13	sing	0.00Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O5	V	O4	111.6°	90.0°
O5	V	O1	97.0°	90.0°
O5	V	O2	88.2°	90.0°
O5	V	N1	144.8°	90.0°
O4	V	O1	107.5°	90.0°
O4	V	O2	109.4°	90.0°
O4	V	N1	102.3°	90.0°
O1	V	O2	137.7°	90.0°
O1	V	N1	81.2°	90.0°
V	O1	C1	131.7°	90.0°
O2	V	N1	71.4°	90.0°
V	O2	C8	114.6°	90.0°
V	N1	C7	123.8°	90.0°
V	N1	N2	115.2°	90.0°
N1	C7	C2	126.9°	90.0°
C7	N1	N2	113.6°	90.0°
N1	C7	H3	116.6°	90.0°
C7	C2	C1	117.3°	90.0°
C7	C2	C3	120.8°	90.0°
C2	C7	H3	116.5°	90.0°
C1	C2	C3	121.8°	90.0°
C2	C1	C6	118.2°	90.0°
C2	C1	O1	125.1°	90.0°
C2	C3	C4	118.8°	90.0°
C2	C3	H2	120.6°	90.0°
C3	C4	C5	120.3°	90.0°
C4	C3	H2	120.6°	90.0°
C3	C4	H5	119.8°	90.0°
C4	C5	C6	122.4°	90.0°
C4	C5	H4	118.8°	90.0°
C5	C4	H5	119.8°	90.0°
C5	C6	C1	118.5°	90.0°
C5	C6	O3	124.3°	90.0°
C6	C5	H4	118.8°	90.0°
C6	C1	O1	116.7°	90.0°
C1	C6	O3	117.2°	90.0°
C6	O3	C9	114.5°	90.0°
O3	C9	C10	107.6°	90.0°
O3	C9	H6	109.9°	90.0°
O3	C9	H7	109.9°	90.0°
C10	C9	H6	109.9°	90.0°
C10	C9	H7	110.0°	90.0°
C9	C10	H8	109.5°	90.0°
C9	C10	H9	109.4°	90.0°
C9	C10	H10	109.5°	90.0°
N1	N2	C8	105.1°	90.0°
N2	C8	O2	123.9°	90.0°
N2	C8	C11	120.9°	90.0°
O2	C8	C11	115.2°	90.0°
C8	C11	O6	114.5°	90.0°
C8	C11	C14	131.5°	90.0°
C11	O6	C12	103.6°	90.0°
O6	C11	C14	114.0°	90.0°
O6	C12	C13	112.1°	90.0°
O6	C12	H13	124.0°	90.0°
C12	C13	C14	108.3°	90.0°
C12	C13	H12	125.8°	90.0°
C13	C12	H13	123.9°	90.0°
C13	C14	C11	102.0°	90.0°
C13	C14	H11	129.0°	90.0°
C14	C13	H12	125.8°	90.0°
C11	C14	H11	129.0°	90.0°
H6	C9	H7	109.4°	90.0°
H8	C10	H9	109.5°	90.0°
H8	C10	H10	109.5°	90.0°
H9	C10	H10	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O5	V	O4	O1	105.2°	90.0°
O5	V	O4	O2	96.0°	90.0°
O5	V	O4	N1	170.3°	90.0°
O5	V	O1	O2	95.1°	90.0°
O5	V	O1	N1	144.5°	90.0°
O5	V	O2	N1	150.9°	90.0°
O5	V	N1	C7	126.5°	90.0°
O5	V	O1	C1	178.6°	90.0°
O5	V	N1	N2	85.4°	90.0°
O5	V	O2	C8	175.4°	90.0°
O4	V	O1	O2	149.6°	90.0°
O4	V	O1	N1	100.2°	90.0°
O4	V	O2	N1	96.8°	90.0°
O4	V	N1	C7	69.3°	90.0°
O4	V	O1	C1	63.3°	90.0°
O4	V	N1	N2	78.8°	90.0°
O4	V	O2	C8	72.3°	90.0°
O1	V	O2	N1	52.4°	90.0°
O1	V	N1	C7	36.8°	90.0°
V	O1	C1	C2	26.4°	90.0°
V	O1	C1	C6	152.8°	90.0°
O1	V	N1	N2	175.1°	90.0°
O1	V	O2	C8	76.9°	90.0°
O2	V	N1	C7	175.8°	90.0°
O2	V	O1	C1	86.3°	90.0°
O2	V	N1	N2	27.8°	90.0°
V	O2	C8	N2	21.0°	90.0°
V	O2	C8	C11	158.5°	90.0°
V	N1	C7	N2	148.5°	90.0°
V	N1	C7	C2	29.3°	90.0°
N1	V	O1	C1	36.9°	90.0°
V	N1	N2	C8	24.9°	90.0°
N1	V	O2	C8	24.5°	90.0°
V	N1	C7	H3	150.6°	90.0°
N1	C7	C2	H3	180.0°	90.0°
N1	C7	C2	C1	3.6°	90.0°
N1	C7	C2	C3	176.2°	90.0°
C7	N1	N2	C8	176.2°	90.0°
C7	C2	C1	C3	179.8°	90.0°
C7	C2	C3	C4	179.9°	90.0°
C7	C2	C1	C6	180.0°	90.0°
C7	C2	C1	O1	0.9°	90.0°
C2	C7	N1	N2	177.8°	90.0°
C7	C2	C3	H2	0.1°	90.0°
C1	C2	C3	C4	0.2°	90.0°
C2	C1	C6	C5	0.1°	90.0°
C2	C1	C6	O1	179.2°	90.0°
C2	C1	C6	O3	179.5°	90.0°
C1	C2	C3	H2	179.8°	90.0°
C1	C2	C7	H3	176.4°	90.0°
C2	C3	C4	H2	180.0°	90.0°
C2	C3	C4	C5	0.1°	90.0°
C3	C2	C1	C6	0.2°	90.0°
C3	C2	C1	O1	179.3°	90.0°
C3	C2	C7	H3	3.8°	90.0°
C2	C3	C4	H5	179.9°	90.0°
C3	C4	C5	H5	180.0°	90.0°
C3	C4	C5	C6	0.0°	90.0°
C3	C4	C5	H4	180.0°	90.0°
C4	C5	C6	H4	180.0°	90.0°
C4	C5	C6	C1	0.0°	90.0°
C4	C5	C6	O3	179.6°	90.0°
C5	C4	C3	H2	179.9°	90.0°
C5	C6	C1	O3	179.6°	90.0°
C5	C6	C1	O1	179.3°	90.0°
C5	C6	O3	C9	0.4°	90.0°
C6	C5	C4	H5	180.0°	90.0°
C1	C6	O3	C9	180.0°	90.0°
C1	C6	C5	H4	180.0°	90.0°
O1	C1	C6	O3	0.3°	90.0°
C6	O3	C9	C10	179.8°	90.0°
O3	C6	C5	H4	0.4°	90.0°
C6	O3	C9	H6	60.1°	90.0°
C6	O3	C9	H7	60.4°	90.0°
O3	C9	C10	H6	119.7°	90.0°
O3	C9	C10	H7	119.7°	90.0°
O3	C9	H6	H7	120.9°	90.0°
O3	C9	C10	H8	180.0°	90.0°
O3	C9	C10	H9	60.0°	90.0°
O3	C9	C10	H10	60.0°	90.0°
C10	C9	H6	H7	120.9°	90.0°
C9	C10	H8	H9	120.0°	90.0°
C9	C10	H8	H10	120.0°	90.0°
C9	C10	H9	H10	120.0°	90.0°
N1	N2	C8	O2	3.4°	90.0°
N1	N2	C8	C11	177.2°	90.0°
N2	N1	C7	H3	2.2°	90.0°
N2	C8	O2	C11	179.4°	90.0°
N2	C8	C11	O6	0.2°	90.0°
N2	C8	C11	C14	179.8°	90.0°
O2	C8	C11	O6	179.6°	90.0°
O2	C8	C11	C14	0.7°	90.0°
C8	C11	O6	C14	179.7°	90.0°
C8	C11	O6	C12	179.8°	90.0°
C8	C11	C14	C13	179.7°	90.0°
C8	C11	C14	H11	0.3°	90.0°
C11	O6	C12	C13	0.0°	90.0°
O6	C11	C14	C13	0.1°	90.0°
O6	C11	C14	H11	179.9°	90.0°
C11	O6	C12	H13	180.0°	90.0°
O6	C12	C13	H13	180.0°	90.0°
O6	C12	C13	C14	0.0°	90.0°
C12	O6	C11	C14	0.1°	90.0°
O6	C12	C13	H12	180.0°	90.0°
C12	C13	C14	H12	180.0°	90.0°
C12	C13	C14	C11	0.1°	90.0°
C12	C13	C14	H11	179.9°	90.0°
C13	C14	C11	H11	180.0°	90.0°
C14	C13	C12	H13	180.0°	90.0°
C11	C14	C13	H12	179.9°	90.0°
H2	C3	C4	H5	0.1°	90.0°
H4	C5	C4	H5	0.0°	90.0°
H6	C9	C10	H8	60.3°	90.0°
H6	C9	C10	H9	179.7°	90.0°
H6	C9	C10	H10	59.7°	90.0°
H7	C9	C10	H8	60.3°	90.0°
H7	C9	C10	H9	59.7°	90.0°
H7	C9	C10	H10	179.8°	90.0°
H8	C10	H9	H10	120.0°	90.0°
H11	C14	C13	H12	0.1°	90.0°
H12	C13	C12	H13	0.0°	90.0°

Release date:	2024-12-18
Definition date:	2024-09-13
Last modified:	2024-12-13
Release status:	REL
Processing site:	PDBE
Derived from:	9GOG