A1JBN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O7	C12	doub	1.21Å	0.00Å
C9	C8	doub	1.38Å	0.00Å	Aromatic
C9	C10	sing	1.40Å	0.00Å	Aromatic
C8	C7	sing	1.38Å	0.00Å	Aromatic
C12	C10	sing	1.48Å	0.00Å
C12	O6	sing	1.35Å	0.00Å
C10	C11	doub	1.40Å	0.00Å	Aromatic
C7	N1	doub	1.32Å	0.00Å	Aromatic
C11	N1	sing	1.32Å	0.00Å	Aromatic
N1	C3	sing	1.47Å	0.00Å
O3	C4	sing	1.43Å	0.00Å
C3	C4	sing	1.53Å	0.00Å
C3	O2	sing	1.43Å	0.00Å
C4	C5	sing	1.53Å	0.00Å
O2	C2	sing	1.43Å	0.00Å
C5	O4	sing	1.43Å	0.00Å
C5	C6	sing	1.53Å	0.00Å
C6	C2	sing	1.53Å	0.00Å
C6	O5	sing	1.43Å	0.00Å
C2	C1	sing	1.53Å	0.00Å
C1	O1	sing	1.43Å	0.00Å
C1	H3	sing	1.09Å	0.00Å
C1	H2	sing	1.09Å	0.00Å
C2	H4	sing	1.09Å	0.00Å
C3	H5	sing	1.09Å	0.00Å
C4	H6	sing	1.09Å	0.00Å
C5	H8	sing	1.09Å	0.00Å
C6	H10	sing	1.09Å	0.00Å
C8	H13	sing	1.08Å	0.00Å
O1	H1	sing	0.97Å	0.00Å
O3	H7	sing	0.97Å	0.00Å
O4	H9	sing	0.97Å	0.00Å
O5	H11	sing	0.97Å	0.00Å
O6	H16	sing	0.97Å	0.00Å
C7	H12	sing	1.08Å	0.00Å
C9	H14	sing	1.08Å	0.00Å
C11	H15	sing	1.08Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O7	C12	C10	90.0°	120.0°
O7	C12	O6	90.0°	120.0°
C8	C9	C10	90.0°	118.3°
C9	C8	C7	90.0°	119.3°
C9	C8	H13	90.0°	120.3°
C8	C9	H14	90.0°	120.9°
C9	C10	C12	90.0°	120.6°
C9	C10	C11	90.0°	118.9°
C10	C9	H14	90.0°	120.8°
C8	C7	N1	90.0°	121.1°
C7	C8	H13	90.0°	120.3°
C8	C7	H12	90.0°	119.5°
C10	C12	O6	90.0°	120.0°
C12	C10	C11	90.0°	120.5°
C12	O6	H16	90.0°	117.0°
C10	C11	N1	90.0°	120.5°
C10	C11	H15	90.0°	119.7°
C7	N1	C11	90.0°	121.9°
C7	N1	C3	90.0°	119.1°
N1	C7	H12	90.0°	119.4°
C11	N1	C3	90.0°	119.0°
N1	C11	H15	90.0°	119.8°
N1	C3	C4	90.0°	109.5°
N1	C3	O2	90.0°	109.5°
N1	C3	H5	90.0°	109.5°
O3	C4	C3	90.0°	109.6°
O3	C4	C5	90.0°	109.5°
O3	C4	H6	90.0°	109.5°
C4	O3	H7	90.0°	114.0°
C4	C3	O2	90.0°	109.4°
C3	C4	C5	90.0°	109.1°
C4	C3	H5	90.0°	109.5°
C3	C4	H6	90.0°	109.6°
C3	O2	C2	90.0°	114.1°
O2	C3	H5	90.0°	109.5°
C4	C5	O4	90.0°	109.5°
C4	C5	C6	90.0°	109.0°
C5	C4	H6	90.0°	109.5°
C4	C5	H8	90.0°	109.6°
O2	C2	C6	90.0°	109.4°
O2	C2	C1	90.0°	109.5°
O2	C2	H4	90.0°	109.5°
O4	C5	C6	90.0°	109.6°
O4	C5	H8	90.0°	109.5°
C5	O4	H9	90.0°	114.0°
C5	C6	C2	90.0°	109.2°
C5	C6	O5	90.0°	109.5°
C6	C5	H8	90.0°	109.6°
C5	C6	H10	90.0°	109.5°
C2	C6	O5	90.0°	109.5°
C6	C2	C1	90.0°	109.5°
C6	C2	H4	90.0°	109.5°
C2	C6	H10	90.0°	109.6°
O5	C6	H10	90.0°	109.5°
C6	O5	H11	90.0°	114.0°
C2	C1	O1	90.0°	109.5°
C2	C1	H3	90.0°	109.4°
C2	C1	H2	90.0°	109.4°
C1	C2	H4	90.0°	109.5°
O1	C1	H3	90.0°	109.5°
O1	C1	H2	90.0°	109.5°
C1	O1	H1	90.0°	114.0°
H3	C1	H2	90.0°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O7	C12	C10	C9	90.0°	179.9°
O7	C12	C10	O6	90.0°	180.0°
O7	C12	C10	C11	90.0°	0.0°
O7	C12	O6	H16	90.0°	0.0°
C8	C9	C10	H14	90.0°	179.9°
C9	C8	C7	H13	90.0°	179.7°
C8	C9	C10	C12	90.0°	180.0°
C8	C9	C10	C11	90.0°	0.0°
C9	C8	C7	N1	90.0°	0.6°
C9	C8	C7	H12	90.0°	180.0°
C10	C9	C8	C7	90.0°	0.2°
C9	C10	C12	C11	90.0°	179.9°
C9	C10	C12	O6	90.0°	0.0°
C9	C10	C11	N1	90.0°	0.0°
C10	C9	C8	H13	90.0°	180.0°
C9	C10	C11	H15	90.0°	180.0°
C8	C7	N1	H12	90.0°	179.4°
C8	C7	N1	C11	90.0°	0.6°
C8	C7	N1	C3	90.0°	179.7°
C7	C8	C9	H14	90.0°	179.9°
C12	C10	C11	N1	90.0°	179.9°
C10	C12	O6	H16	90.0°	180.0°
C12	C10	C9	H14	90.0°	0.1°
C12	C10	C11	H15	90.0°	0.0°
O6	C12	C10	C11	90.0°	180.0°
C10	C11	N1	C7	90.0°	0.4°
C10	C11	N1	H15	90.0°	179.9°
C10	C11	N1	C3	90.0°	180.0°
C11	C10	C9	H14	90.0°	179.8°
C7	N1	C11	C3	90.0°	179.6°
C7	N1	C3	C4	90.0°	80.3°
C7	N1	C3	O2	90.0°	39.6°
C7	N1	C3	H5	90.0°	159.7°
N1	C7	C8	H13	90.0°	179.7°
C7	N1	C11	H15	90.0°	179.7°
C11	N1	C3	C4	90.0°	100.0°
C11	N1	C3	O2	90.0°	140.0°
C11	N1	C3	H5	90.0°	20.0°
C11	N1	C7	H12	90.0°	180.0°
N1	C3	C4	O3	90.0°	62.5°
N1	C3	C4	O2	90.0°	120.0°
N1	C3	C4	H5	90.0°	120.0°
N1	C3	O2	H5	90.0°	120.1°
N1	C3	C4	C5	90.0°	177.6°
N1	C3	O2	C2	90.0°	178.9°
N1	C3	C4	H6	90.0°	57.7°
C3	N1	C7	H12	90.0°	0.4°
C3	N1	C11	H15	90.0°	0.1°
O3	C4	C3	C5	90.0°	119.9°
O3	C4	C3	H6	90.0°	120.2°
O3	C4	C3	O2	90.0°	177.5°
O3	C4	C5	H6	90.0°	120.1°
O3	C4	C5	O4	90.0°	63.2°
O3	C4	C5	C6	90.0°	176.9°
O3	C4	C3	H5	90.0°	57.5°
O3	C4	C5	H8	90.0°	57.0°
C4	C3	O2	H5	90.0°	120.0°
C3	C4	C5	H6	90.0°	120.0°
C4	C3	O2	C2	90.0°	61.2°
C3	C4	C5	O4	90.0°	176.9°
C3	C4	C5	C6	90.0°	57.0°
C3	C4	C5	H8	90.0°	62.9°
C3	C4	O3	H7	90.0°	179.7°
O2	C3	C4	C5	90.0°	57.6°
C3	O2	C2	C6	90.0°	61.1°
C3	O2	C2	C1	90.0°	178.9°
C3	O2	C2	H4	90.0°	58.8°
O2	C3	C4	H6	90.0°	62.3°
C4	C5	O4	C6	90.0°	119.6°
C4	C5	O4	H8	90.0°	120.2°
C4	C5	C6	H8	90.0°	119.9°
C4	C5	C6	C2	90.0°	57.0°
C4	C5	C6	O5	90.0°	176.9°
C5	C4	C3	H5	90.0°	62.4°
C4	C5	C6	H10	90.0°	63.0°
C5	C4	O3	H7	90.0°	60.0°
C4	C5	O4	H9	90.0°	180.0°
O2	C2	C6	C5	90.0°	57.6°
O2	C2	C6	C1	90.0°	120.0°
O2	C2	C6	H4	90.0°	120.0°
O2	C2	C6	O5	90.0°	177.5°
O2	C2	C1	H4	90.0°	120.0°
O2	C2	C1	O1	90.0°	65.1°
O2	C2	C1	H3	90.0°	55.0°
O2	C2	C1	H2	90.0°	174.9°
C2	O2	C3	H5	90.0°	58.8°
O2	C2	C6	H10	90.0°	62.3°
O4	C5	C6	H8	90.0°	120.2°
O4	C5	C6	C2	90.0°	176.9°
O4	C5	C6	O5	90.0°	63.2°
O4	C5	C4	H6	90.0°	56.9°
O4	C5	C6	H10	90.0°	56.9°
C5	C6	C2	O5	90.0°	119.9°
C5	C6	C2	H10	90.0°	119.9°
C5	C6	O5	H10	90.0°	120.1°
C5	C6	C2	C1	90.0°	177.6°
C5	C6	C2	H4	90.0°	62.4°
C6	C5	C4	H6	90.0°	63.0°
C6	C5	O4	H9	90.0°	60.4°
C5	C6	O5	H11	90.0°	60.0°
C2	C6	O5	H10	90.0°	120.2°
C6	C2	C1	H4	90.0°	120.0°
C6	C2	C1	O1	90.0°	175.0°
C6	C2	C1	H3	90.0°	65.0°
C6	C2	C1	H2	90.0°	55.0°
C2	C6	C5	H8	90.0°	62.9°
C2	C6	O5	H11	90.0°	179.7°
O5	C6	C2	C1	90.0°	62.5°
O5	C6	C2	H4	90.0°	57.5°
O5	C6	C5	H8	90.0°	57.0°
C2	C1	O1	H3	90.0°	120.0°
C2	C1	O1	H2	90.0°	120.0°
C2	C1	H3	H2	90.0°	119.9°
C1	C2	C6	H10	90.0°	57.7°
C2	C1	O1	H1	90.0°	180.0°
O1	C1	H3	H2	90.0°	120.1°
O1	C1	C2	H4	90.0°	55.0°
H3	C1	C2	H4	90.0°	175.0°
H3	C1	O1	H1	90.0°	60.0°
H2	C1	C2	H4	90.0°	65.0°
H2	C1	O1	H1	90.0°	60.0°
H4	C2	C6	H10	90.0°	177.7°
H5	C3	C4	H6	90.0°	177.7°
H6	C4	C5	H8	90.0°	177.1°
H6	C4	O3	H7	90.0°	60.1°
H8	C5	C6	H10	90.0°	177.1°
H8	C5	O4	H9	90.0°	59.9°
H10	C6	O5	H11	90.0°	60.1°
H13	C8	C7	H12	90.0°	0.3°
H13	C8	C9	H14	90.0°	0.2°

Release date:	2026-04-22
Definition date:	2025-05-01
Last modified:	2026-04-17
Release status:	REL
Processing site:	PDBE
Sub-components:	BGC NIO